#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqg n LYS 3 N 0.00 2.55 -3.62 -1.46 4.76 -1.26 -4.99 118.16 114.14 1kqg n LYS 3 Ca 0.00 -4.54 -0.14 0.00 -2.87 0.00 0.00 58.31 50.76 1kqg n LYS 3 Cb 0.00 -2.12 -0.07 0.00 -1.84 0.00 0.00 35.03 31.00 1kqg n LYS 3 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1kqg s SER 4 N -2.76 -0.74 0.24 4.39 1.04 -1.26 -5.05 113.70 109.57 1kqg s SER 4 Ca 0.43 1.38 -0.03 0.00 0.48 0.00 0.00 55.95 58.21 1kqg s SER 4 Cb 0.22 1.38 0.28 0.00 0.10 0.00 0.00 66.02 68.00 1kqg s SER 4 CO -0.07 -0.28 1.73 0.50 0.98 0.00 0.00 173.24 176.09 1kqg h LYS 5 N 4.81 0.82 -5.29 4.02 3.64 -1.96 -3.43 116.57 119.18 1kqg h LYS 5 Ca -0.29 -0.24 -0.47 0.00 -1.27 0.00 0.00 60.65 58.38 1kqg h LYS 5 Cb 1.16 -0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.75 1kqg h LYS 5 CO 0.08 0.85 -0.63 -1.64 -2.27 0.00 0.00 179.45 175.84 1kqg s MET 6 N -4.94 1.59 0.02 1.90 -1.94 -1.26 -3.10 119.30 111.56 1kqg s MET 6 Ca -0.10 -1.85 0.04 0.00 -1.71 0.00 0.00 55.69 52.08 1kqg s MET 6 Cb 0.14 -0.92 -0.02 0.00 2.01 0.00 0.00 34.83 36.04 1kqg s MET 6 CO 0.82 -0.11 -0.13 0.96 -0.01 0.00 0.00 175.02 176.55 1kqg s ILE 7 N -3.22 1.03 -0.05 2.53 -4.36 0.33 -4.84 121.20 112.62 1kqg s ILE 7 Ca 0.33 -0.77 -0.30 0.00 -0.26 0.00 0.00 60.65 59.65 1kqg s ILE 7 Cb 0.07 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.83 1kqg s ILE 7 CO 0.14 0.13 1.31 -0.69 0.24 0.00 0.00 174.94 176.06 1kqg s VAL 8 N -0.59 4.02 -0.17 8.37 1.01 -1.26 0.77 120.40 132.55 1kqg s VAL 8 Ca 0.03 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.44 1kqg s VAL 8 Cb -0.06 -3.87 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 1kqg s VAL 8 CO 0.00 -0.02 -0.04 -1.14 0.00 0.00 0.00 175.10 173.90 1kqg n ARG 9 N 5.53 1.10 -4.07 2.72 0.63 0.13 -4.91 116.66 117.80 1kqg n ARG 9 Ca 0.12 0.04 -0.20 0.00 -0.92 0.00 0.00 57.85 56.89 1kqg n ARG 9 Cb 0.45 -1.39 -0.17 0.00 0.45 0.00 0.00 32.46 31.80 1kqg n ARG 9 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1kqg s THR 10 N -2.38 0.48 0.70 5.15 2.01 -0.87 -5.08 115.64 115.65 1kqg s THR 10 Ca -0.15 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 1kqg s THR 10 Cb 0.05 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1kqg s THR 10 CO 0.55 0.22 1.16 -0.75 -0.69 0.00 0.00 174.62 175.12 1kqg s LYS 11 N 1.11 2.44 0.23 4.92 2.20 -1.26 -4.50 119.74 124.87 1kqg s LYS 11 Ca -0.08 1.60 -0.06 0.00 -0.36 0.00 0.00 55.97 57.07 1kqg s LYS 11 Cb -0.14 -1.89 0.37 0.00 -1.51 0.00 0.00 37.83 34.67 1kqg s LYS 11 CO -0.01 -1.57 1.75 0.35 -0.36 0.00 0.00 175.35 175.51 1kqg h PHE 12 N -0.13 0.54 -0.77 4.03 3.57 -1.97 -1.09 116.94 121.13 1kqg h PHE 12 Ca -0.47 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.11 1kqg h PHE 12 Cb 1.27 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1kqg h PHE 12 CO 0.50 0.14 0.50 0.97 -2.23 0.00 0.00 178.31 178.20 1kqg h ILE 13 N 0.50 1.08 0.00 1.41 2.10 -1.99 0.40 117.51 121.01 1kqg h ILE 13 Ca 0.37 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 66.01 1kqg h ILE 13 Cb 0.47 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 1kqg h ILE 13 CO -0.33 0.16 -0.23 0.44 -1.08 0.00 0.00 178.15 177.12 1kqg h ASP 14 N 0.88 0.00 0.33 2.19 3.32 -1.71 -2.52 116.42 118.90 1kqg h ASP 14 Ca 0.32 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.03 1kqg h ASP 14 Cb 0.15 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.72 1kqg h ASP 14 CO -0.10 0.01 -1.49 0.03 -1.72 0.00 0.00 179.24 175.96 1kqg h ARG 15 N 0.00 0.46 -0.11 3.56 3.08 -0.05 -2.73 114.38 118.60 1kqg h ARG 15 Ca 0.00 -0.78 -0.01 0.00 0.07 0.00 0.00 59.98 59.26 1kqg h ARG 15 Cb 0.95 0.29 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1kqg h ARG 15 CO 0.00 1.37 0.02 0.00 -1.07 0.00 0.00 179.97 180.29 1kqg h ALA 16 N 0.24 0.14 0.41 0.04 0.00 -0.26 -2.30 119.26 117.53 1kqg h ALA 16 Ca -0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1kqg h ALA 16 Cb 2.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1kqg h ALA 16 CO 0.24 -0.22 -0.42 0.00 0.00 0.00 0.00 179.25 178.85 1kqg h HIS 18 N -0.85 -0.38 0.00 0.00 6.17 -1.49 0.90 115.15 119.50 1kqg h HIS 18 Ca -0.04 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1kqg h HIS 18 Cb 0.76 0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.96 1kqg h HIS 18 CO -0.23 -0.30 0.00 -1.49 0.71 0.00 0.00 177.93 176.62 1kqg h TRP 19 N -0.01 0.00 -0.06 5.26 -0.00 -1.23 -1.70 115.95 118.21 1kqg h TRP 19 Ca 0.32 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 59.15 1kqg h TRP 19 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.66 1kqg h TRP 19 CO -0.55 0.00 -0.23 1.15 -0.00 0.00 0.00 178.44 178.81 1kqg h THR 20 N 0.00 1.44 -0.64 1.49 2.02 0.01 -2.73 112.91 114.50 1kqg h THR 20 Ca 0.00 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 65.59 1kqg h THR 20 Cb 0.59 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 1kqg h THR 20 CO 0.00 0.46 0.38 0.58 0.37 0.00 0.00 175.52 177.31 1kqg h VAL 21 N -0.25 1.05 -0.68 3.16 2.07 -0.74 -1.33 116.25 119.52 1kqg h VAL 21 Ca -0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1kqg h VAL 21 Cb 0.86 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1kqg h VAL 21 CO 0.05 0.13 0.35 0.58 0.02 0.00 0.00 177.57 178.70 1kqg h VAL 22 N 0.74 1.22 -0.36 2.57 2.07 -1.29 0.49 116.25 121.69 1kqg h VAL 22 Ca 0.27 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1kqg h VAL 22 Cb 0.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1kqg h VAL 22 CO -0.13 0.25 -0.20 0.40 0.02 0.00 0.00 177.57 177.92 1kqg h ILE 23 N 0.94 1.29 -0.51 4.57 2.04 -1.12 -1.27 117.51 123.45 1kqg h ILE 23 Ca 0.24 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1kqg h ILE 23 Cb 0.08 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1kqg h ILE 23 CO -0.03 0.44 0.21 0.00 0.00 0.00 0.00 178.15 178.76 1kqg h PHE 25 N 0.68 1.22 -0.16 0.00 3.04 0.10 -0.96 116.94 120.85 1kqg h PHE 25 Ca 0.17 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.16 1kqg h PHE 25 Cb 0.18 -0.40 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 1kqg h PHE 25 CO 0.00 0.80 -0.04 0.35 -2.02 0.00 0.00 178.31 177.40 1kqg h PHE 26 N 1.29 -0.08 -0.27 0.41 3.57 -1.02 0.19 116.94 121.03 1kqg h PHE 26 Ca 0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1kqg h PHE 26 Cb -0.09 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1kqg h PHE 26 CO 0.00 -0.06 0.12 -0.07 -2.23 0.00 0.00 178.31 176.07 1kqg h LEU 27 N 0.00 0.36 -0.50 0.59 3.38 -1.39 -1.44 115.31 116.31 1kqg h LEU 27 Ca 0.08 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1kqg h LEU 27 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1kqg h LEU 27 CO -0.16 0.39 -0.04 0.58 0.09 0.00 0.00 178.44 179.29 1kqg h VAL 28 N 0.30 1.27 -0.34 1.22 2.07 -0.88 -0.95 116.25 118.93 1kqg h VAL 28 Ca 0.09 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 1kqg h VAL 28 Cb 0.13 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1kqg h VAL 28 CO -0.01 0.40 -0.12 0.00 0.02 0.00 0.00 177.57 177.86 1kqg h ALA 29 N 0.92 0.47 -0.58 1.67 0.00 -0.64 -0.59 119.26 120.51 1kqg h ALA 29 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1kqg h ALA 29 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1kqg h ALA 29 CO 0.03 0.35 -0.00 -0.07 0.00 0.00 0.00 179.25 179.56 1kqg h LEU 30 N 0.45 1.01 -0.49 0.00 3.38 -1.20 0.19 115.31 118.66 1kqg h LEU 30 Ca 0.08 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1kqg h LEU 30 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1kqg h LEU 30 CO 0.04 1.07 -0.05 0.77 0.09 0.00 0.00 178.44 180.36 1kqg h SER 31 N 0.92 0.89 -0.61 -0.43 4.64 -1.15 -1.21 113.55 116.60 1kqg h SER 31 Ca 0.16 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1kqg h SER 31 Cb 0.55 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1kqg h SER 31 CO 0.03 1.02 0.37 1.23 -0.87 0.00 0.00 176.83 178.61 1kqg h GLY 32 N 0.75 0.87 1.38 -0.77 0.00 -0.92 -2.01 103.07 102.38 1kqg h GLY 32 Ca 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1kqg h GLY 32 CO 0.04 0.23 -0.10 -2.22 0.00 0.00 0.00 176.54 174.49 1kqg h ILE 33 N 0.73 1.25 -0.04 2.60 1.08 -0.24 -1.89 117.51 121.01 1kqg h ILE 33 Ca 0.25 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1kqg h ILE 33 Cb 0.03 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1kqg h ILE 33 CO -0.11 0.38 0.04 0.77 -0.69 0.00 0.00 178.15 178.54 1kqg h SER 34 N 0.67 0.00 0.44 1.72 4.64 -0.46 0.40 113.55 120.95 1kqg h SER 34 Ca 0.12 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.13 1kqg h SER 34 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1kqg h SER 34 CO 0.03 0.00 -1.65 -0.26 -0.87 0.00 0.00 176.83 174.08 1kqg h PHE 35 N 0.00 0.26 -0.22 4.77 0.04 -1.33 -3.27 116.94 117.19 1kqg h PHE 35 Ca 0.02 -0.19 -0.16 0.00 2.80 0.00 0.00 57.97 60.43 1kqg h PHE 35 Cb 0.09 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1kqg h PHE 35 CO 0.00 1.30 -0.50 0.35 -0.60 0.00 0.00 178.31 178.86 1kqg h PHE 36 N 0.04 0.94 -3.14 -0.55 3.04 -0.67 -3.38 116.94 113.22 1kqg h PHE 36 Ca -0.28 -0.35 -0.62 0.00 3.98 0.00 0.00 57.97 60.70 1kqg h PHE 36 Cb 2.00 -0.17 -0.42 0.00 2.56 0.00 0.00 35.95 39.93 1kqg h PHE 36 CO 0.04 1.15 -0.60 -0.06 -2.02 0.00 0.00 178.31 176.82 1kqg s PHE 37 N -4.02 3.39 0.31 0.41 0.08 0.07 -4.97 117.98 113.25 1kqg s PHE 37 Ca -0.12 -3.26 0.37 0.00 0.12 0.00 0.00 56.93 54.04 1kqg s PHE 37 Cb 0.08 -2.68 1.90 0.00 -0.57 0.00 0.00 43.02 41.75 1kqg s PHE 37 CO 0.86 -0.60 2.11 -1.35 -0.10 0.00 0.00 175.22 176.14 1kqg h PRO 38 N 5.69 0.00 0.00 0.24 0.11 -1.75 -0.79 132.00 135.50 1kqg h PRO 38 Ca 0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1kqg h PRO 38 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1kqg h PRO 38 CO 0.70 0.00 -0.21 1.15 -0.21 0.00 0.00 178.00 179.43 1kqg h THR 39 N 0.00 0.83 -0.86 -1.15 2.02 -1.93 -3.30 112.91 108.51 1kqg h THR 39 Ca 0.00 -0.84 -0.71 0.00 0.77 0.00 0.00 66.41 65.63 1kqg h THR 39 Cb 0.11 1.50 -0.09 0.00 -1.74 0.00 0.00 68.15 67.92 1kqg h THR 39 CO 0.00 0.21 2.35 0.18 0.37 0.00 0.00 175.52 178.63 1kqg n LEU 40 N -3.81 5.82 -0.19 2.58 4.77 -0.30 -4.75 117.00 121.12 1kqg n LEU 40 Ca -0.02 -4.17 -0.03 0.00 -0.03 0.00 0.00 56.01 51.77 1kqg n LEU 40 Cb 0.31 -1.66 0.18 0.00 -2.33 0.00 0.00 43.42 39.92 1kqg n LEU 40 CO 0.34 0.71 1.06 1.56 -1.33 0.00 0.00 177.39 179.73 1kqg h GLN 41 N 6.76 0.95 -1.00 3.23 1.08 -1.83 -2.62 115.11 121.69 1kqg h GLN 41 Ca 0.46 -0.15 0.14 0.00 -1.45 0.00 0.00 58.65 57.65 1kqg h GLN 41 Cb 0.76 -0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 27.94 1kqg h GLN 41 CO 1.59 0.77 0.62 2.35 -0.95 0.00 0.00 178.83 183.21 1kqg h TRP 42 N 0.94 1.10 0.00 2.96 7.01 -1.92 0.65 115.95 126.69 1kqg h TRP 42 Ca 0.22 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.25 1kqg h TRP 42 Cb 0.17 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1kqg h TRP 42 CO 0.01 0.39 0.00 1.28 -2.79 0.00 0.00 178.44 177.33 1kqg n LEU 43 N -4.64 0.21 0.00 0.65 4.77 -0.99 -1.46 117.00 115.54 1kqg n LEU 43 Ca 0.20 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.84 1kqg n LEU 43 Cb 0.42 -0.56 0.47 0.00 -2.33 0.00 0.00 43.42 41.41 1kqg n LEU 43 CO 0.26 -0.49 0.77 0.35 -1.33 0.00 0.00 177.39 176.95 1kqg n THR 44 N -1.75 0.41 -0.54 -5.08 -2.24 0.22 -2.20 114.28 103.09 1kqg n THR 44 Ca 0.01 0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 1kqg n THR 44 Cb 0.11 -0.80 0.25 0.00 -2.10 0.00 0.00 70.33 67.79 1kqg n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kqg n GLN 45 N -1.26 3.15 -0.28 -0.78 6.02 -0.54 -1.45 117.38 122.25 1kqg n GLN 45 Ca 0.09 -2.55 0.02 0.00 -0.01 0.00 0.00 57.00 54.55 1kqg n GLN 45 Cb 0.14 -1.63 0.15 0.00 1.02 0.00 0.00 30.24 29.92 1kqg n GLN 45 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1kqg h THR 46 N 2.67 0.92 -0.85 5.09 2.02 -1.62 -1.54 112.91 119.60 1kqg h THR 46 Ca 0.00 -0.26 -0.51 0.00 0.77 0.00 0.00 66.41 66.41 1kqg h THR 46 Cb 1.16 0.09 -0.27 0.00 -1.74 0.00 0.00 68.15 67.38 1kqg h THR 46 CO 0.13 0.14 0.46 0.49 0.37 0.00 0.00 175.52 177.11 1kqg n PHE 47 N -4.75 2.71 0.00 3.16 3.72 -1.26 -4.99 117.46 116.05 1kqg n PHE 47 Ca 0.12 -2.22 0.00 0.00 -0.05 0.00 0.00 57.45 55.31 1kqg n PHE 47 Cb 0.25 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.82 1kqg n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kqg n GLY 48 N -1.04 2.02 3.31 1.37 0.00 -0.58 -4.43 105.19 105.84 1kqg n GLY 48 Ca 0.54 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1kqg n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kqg s THR 49 N 0.00 1.68 0.28 2.61 -4.23 -1.26 -4.49 115.64 110.22 1kqg s THR 49 Ca 0.00 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1kqg s THR 49 Cb 0.00 -1.81 0.28 0.00 1.34 0.00 0.00 72.50 72.31 1kqg s THR 49 CO 0.00 -0.39 1.87 -0.65 -0.54 0.00 0.00 174.62 174.91 1kqg h PRO 50 N 3.18 1.08 -0.87 3.99 0.11 -1.61 0.04 132.00 137.92 1kqg h PRO 50 Ca -0.41 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1kqg h PRO 50 Cb 1.21 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1kqg h PRO 50 CO 0.53 0.71 0.44 1.96 -0.21 0.00 0.00 178.00 181.43 1kqg h GLN 51 N 1.11 1.23 -0.19 1.05 7.50 -1.97 -2.19 115.11 121.65 1kqg h GLN 51 Ca 0.45 -0.17 -0.14 0.00 0.50 0.00 0.00 58.65 59.30 1kqg h GLN 51 Cb 0.27 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.57 1kqg h GLN 51 CO -0.20 0.93 -0.41 1.98 -1.50 0.00 0.00 178.83 179.63 1kqg h MET 52 N 1.23 0.61 -0.97 1.46 4.05 -1.62 -3.20 114.93 116.49 1kqg h MET 52 Ca 0.30 -0.41 0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1kqg h MET 52 Cb 0.08 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.87 1kqg h MET 52 CO -0.04 1.02 0.63 0.78 0.23 0.00 0.00 176.91 179.53 1kqg h GLY 53 N 0.29 1.45 1.01 1.39 0.00 -0.80 0.67 103.07 107.09 1kqg h GLY 53 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1kqg h GLY 53 CO 0.09 0.36 0.59 -0.09 0.00 0.00 0.00 176.54 177.49 1kqg h ARG 54 N 1.17 1.23 -0.02 4.80 1.12 -1.42 -1.82 114.38 119.44 1kqg h ARG 54 Ca 0.41 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 59.17 1kqg h ARG 54 Cb 0.10 -0.27 0.00 0.00 -0.01 0.00 0.00 29.97 29.79 1kqg h ARG 54 CO -0.15 0.83 -0.06 0.82 -3.11 0.00 0.00 179.97 178.30 1kqg h ILE 55 N 1.26 1.48 0.00 1.20 2.04 -1.05 -3.36 117.51 119.08 1kqg h ILE 55 Ca 0.34 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.58 1kqg h ILE 55 Cb -0.11 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1kqg h ILE 55 CO -0.07 0.40 -0.58 -0.07 0.00 0.00 0.00 178.15 177.82 1kqg h LEU 56 N -0.51 0.00 -0.63 1.44 3.38 -0.88 -3.37 115.31 114.74 1kqg h LEU 56 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1kqg h LEU 56 Cb 0.68 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1kqg h LEU 56 CO 0.01 0.58 -0.51 -0.74 0.09 0.00 0.00 178.44 177.87 1kqg h HIS 57 N 0.00 -1.62 -0.78 1.13 2.76 -1.47 -1.60 115.15 113.57 1kqg h HIS 57 Ca -0.01 0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1kqg h HIS 57 Cb 1.42 0.79 -0.04 0.00 1.55 0.00 0.00 27.41 31.13 1kqg h HIS 57 CO 0.00 -0.39 0.46 -1.00 -1.30 0.00 0.00 177.93 175.71 1kqg h PRO 58 N -0.18 1.07 -0.04 5.26 0.13 -1.80 -0.60 132.00 135.83 1kqg h PRO 58 Ca 0.10 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1kqg h PRO 58 Cb 0.45 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 1kqg h PRO 58 CO -0.69 0.75 0.02 0.74 -0.23 0.00 0.00 178.00 178.59 1kqg h PHE 59 N 1.08 0.06 -0.06 1.56 0.04 -1.51 -0.54 116.94 117.58 1kqg h PHE 59 Ca 0.28 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.01 1kqg h PHE 59 Cb -0.03 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1kqg h PHE 59 CO 0.00 0.20 -0.13 0.74 -0.60 0.00 0.00 178.31 178.53 1kqg h PHE 60 N -0.10 0.09 0.10 -0.55 -1.00 -1.10 -1.86 116.94 112.52 1kqg h PHE 60 Ca 0.01 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1kqg h PHE 60 Cb 0.17 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1kqg h PHE 60 CO -0.02 0.22 -0.05 0.78 -1.61 0.00 0.00 178.31 177.63 1kqg h GLY 61 N 0.53 -0.15 0.75 -1.45 0.00 -0.64 -1.61 103.07 100.51 1kqg h GLY 61 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.45 1kqg h GLY 61 CO 0.02 -0.05 0.45 -2.22 0.00 0.00 0.00 176.54 174.73 1kqg h ILE 62 N -0.22 1.03 -0.69 2.60 1.08 -0.35 -2.34 117.51 118.63 1kqg h ILE 62 Ca -0.01 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1kqg h ILE 62 Cb 0.18 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 1kqg h ILE 62 CO 0.02 0.15 0.45 0.00 -0.69 0.00 0.00 178.15 178.09 1kqg h ALA 63 N 1.35 0.87 -0.73 1.87 0.00 -1.02 -0.83 119.26 120.77 1kqg h ALA 63 Ca 0.32 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1kqg h ALA 63 Cb 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1kqg h ALA 63 CO -0.16 0.29 0.44 0.82 0.00 0.00 0.00 179.25 180.65 1kqg h ILE 64 N 0.92 1.04 -0.52 0.00 2.04 -0.80 -1.66 117.51 118.54 1kqg h ILE 64 Ca 0.25 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 1kqg h ILE 64 Cb -0.10 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1kqg h ILE 64 CO -0.06 0.15 -0.13 0.15 0.00 0.00 0.00 178.15 178.27 1kqg h PHE 65 N 0.84 1.11 0.01 1.37 3.57 -0.85 0.21 116.94 123.19 1kqg h PHE 65 Ca 0.31 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1kqg h PHE 65 Cb 0.11 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1kqg h PHE 65 CO -0.05 1.04 -0.01 0.28 -2.23 0.00 0.00 178.31 177.34 1kqg h VAL 66 N 0.88 1.14 -0.49 1.41 2.07 -0.73 -1.58 116.25 118.95 1kqg h VAL 66 Ca 0.13 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1kqg h VAL 66 Cb 0.68 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1kqg h VAL 66 CO 0.05 0.12 0.17 0.00 0.02 0.00 0.00 177.57 177.93 1kqg h ALA 67 N 0.77 1.38 0.00 1.67 0.00 -1.21 -1.86 119.26 120.01 1kqg h ALA 67 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1kqg h ALA 67 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1kqg h ALA 67 CO 0.00 0.46 -0.21 -0.07 0.00 0.00 0.00 179.25 179.43 1kqg h LEU 68 N 0.70 0.00 -0.41 0.00 3.38 -0.30 -1.67 115.31 117.01 1kqg h LEU 68 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1kqg h LEU 68 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1kqg h LEU 68 CO -0.01 0.21 -0.80 0.24 0.09 0.00 0.00 178.44 178.17 1kqg h MET 69 N 0.00 0.03 -0.35 1.13 2.86 -0.50 0.34 114.93 118.43 1kqg h MET 69 Ca -0.00 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1kqg h MET 69 Cb 0.72 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1kqg h MET 69 CO 0.03 0.81 -0.26 0.35 1.06 0.00 0.00 176.91 178.89 1kqg h PHE 70 N 0.02 0.94 -0.39 -0.22 3.57 -0.95 -2.27 116.94 117.64 1kqg h PHE 70 Ca -0.01 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.20 1kqg h PHE 70 Cb 1.41 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1kqg h PHE 70 CO 0.00 1.03 0.12 0.52 -2.23 0.00 0.00 178.31 177.76 1kqg h MET 71 N 0.58 0.60 -0.21 1.11 2.86 -1.17 -2.75 114.93 115.95 1kqg h MET 71 Ca 0.07 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1kqg h MET 71 Cb 0.83 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.34 1kqg h MET 71 CO 0.07 0.61 -0.26 0.35 1.06 0.00 0.00 176.91 178.74 1kqg h PHE 72 N 0.48 -0.68 0.00 -0.22 3.04 -0.04 -0.62 116.94 118.90 1kqg h PHE 72 Ca 0.13 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1kqg h PHE 72 Cb 0.25 0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1kqg h PHE 72 CO 0.01 -0.33 0.00 -0.39 -2.02 0.00 0.00 178.31 175.58 1kqg h VAL 73 N -0.28 0.00 0.00 1.41 -1.51 -1.35 -0.92 116.25 113.60 1kqg h VAL 73 Ca 0.13 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1kqg h VAL 73 Cb 0.47 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1kqg h VAL 73 CO -0.37 0.00 -1.69 0.54 -1.23 0.00 0.00 177.57 174.81 1kqg n ARG 74 N -2.43 0.57 -0.00 5.19 1.74 -0.36 -4.57 116.66 116.82 1kqg n ARG 74 Ca 0.01 -0.12 0.01 0.00 -0.77 0.00 0.00 57.85 56.98 1kqg n ARG 74 Cb 0.19 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1kqg n ARG 74 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1kqg n PHE 75 N -2.25 0.00 -0.33 -1.55 3.01 -0.51 -4.82 117.46 111.01 1kqg n PHE 75 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.40 1kqg n PHE 75 Cb 0.54 -0.01 0.09 0.00 -0.01 0.00 0.00 39.48 40.09 1kqg n PHE 75 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1kqg h VAL 76 N 0.00 1.23 0.00 -4.37 3.04 -1.38 -2.00 116.25 112.78 1kqg h VAL 76 Ca 0.00 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1kqg h VAL 76 Cb 0.06 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.27 1kqg h VAL 76 CO 0.00 0.23 -0.02 0.45 -1.01 0.00 0.00 177.57 177.22 1kqg h HIS 77 N 1.21 0.00 -0.02 3.17 3.86 -1.87 0.25 115.15 121.74 1kqg h HIS 77 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1kqg h HIS 77 Cb -0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1kqg h HIS 77 CO -0.01 0.02 -0.01 0.72 0.86 0.00 0.00 177.93 179.51 1kqg n HIS 78 N -3.49 0.00 0.06 2.45 -0.00 -0.76 -4.16 115.22 109.32 1kqg n HIS 78 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.72 1kqg n HIS 78 Cb 0.11 -0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.15 1kqg n HIS 78 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1kqg n ASN 79 N 0.61 1.99 -4.66 0.41 4.13 0.85 -4.42 115.26 114.17 1kqg n ASN 79 Ca 0.17 -1.64 -0.42 0.00 1.68 0.00 0.00 54.58 54.37 1kqg n ASN 79 Cb 0.45 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.60 1kqg n ASN 79 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1kqg s ILE 80 N -0.75 3.48 0.36 2.41 -1.09 -1.14 -4.81 121.20 119.66 1kqg s ILE 80 Ca 0.09 0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 58.87 1kqg s ILE 80 Cb 0.05 -3.41 -0.11 0.00 -1.58 0.00 0.00 42.46 37.41 1kqg s ILE 80 CO 0.07 -0.05 1.49 -2.84 -1.23 0.00 0.00 174.94 172.38 1kqg s PRO 81 N 3.85 4.13 0.17 2.79 0.02 -1.26 -5.01 135.00 139.69 1kqg s PRO 81 Ca 0.74 2.54 -0.05 0.00 0.02 0.00 0.00 61.00 64.25 1kqg s PRO 81 Cb -0.35 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.16 1kqg s PRO 81 CO 0.31 -0.52 0.21 0.16 -0.33 0.00 0.00 177.00 176.82 1kqg s ASP 82 N -0.05 0.13 0.57 2.53 1.47 -1.26 -5.06 116.67 114.99 1kqg s ASP 82 Ca 0.54 -1.07 0.26 0.00 1.18 0.00 0.00 52.55 53.46 1kqg s ASP 82 Cb -0.46 0.40 1.53 0.00 -0.34 0.00 0.00 42.92 44.05 1kqg s ASP 82 CO 0.59 -0.86 2.07 0.11 0.68 0.00 0.00 175.17 177.76 1kqg h LYS 83 N 2.62 0.00 0.00 2.11 1.79 -2.04 -0.39 116.57 120.66 1kqg h LYS 83 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1kqg h LYS 83 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1kqg h LYS 83 CO 0.51 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.51 1kqg n LYS 84 N -4.04 0.19 0.17 3.15 5.02 -1.26 -2.48 118.16 118.92 1kqg n LYS 84 Ca 0.04 0.50 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1kqg n LYS 84 Cb 0.39 -1.92 0.30 0.00 -0.02 0.00 0.00 35.03 33.78 1kqg n LYS 84 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1kqg h ASP 85 N 0.00 0.00 -0.35 4.39 3.32 -1.37 -3.37 116.42 119.03 1kqg h ASP 85 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1kqg h ASP 85 Cb 0.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1kqg h ASP 85 CO 0.00 0.00 0.17 0.40 -1.72 0.00 0.00 179.24 178.09 1kqg h ILE 86 N 0.00 0.97 -0.84 0.35 2.04 -1.65 -2.19 117.51 116.19 1kqg h ILE 86 Ca 0.00 -0.12 0.19 0.00 1.00 0.00 0.00 64.86 65.93 1kqg h ILE 86 Cb 0.85 0.59 -0.11 0.00 -0.74 0.00 0.00 36.82 37.41 1kqg h ILE 86 CO 0.00 0.06 0.33 -0.65 0.00 0.00 0.00 178.15 177.90 1kqg h PRO 87 N 0.35 0.39 0.36 2.37 0.11 -1.80 -0.58 132.00 133.20 1kqg h PRO 87 Ca 0.15 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1kqg h PRO 87 Cb 0.07 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1kqg h PRO 87 CO -0.11 0.26 -0.35 2.35 -0.21 0.00 0.00 178.00 179.93 1kqg h TRP 88 N 0.40 -0.95 -0.14 0.65 7.01 -1.64 -2.80 115.95 118.48 1kqg h TRP 88 Ca 0.50 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.54 1kqg h TRP 88 Cb 0.88 0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 28.30 1kqg h TRP 88 CO -0.17 -0.50 0.22 -0.07 -2.79 0.00 0.00 178.44 175.13 1kqg h LEU 89 N -0.74 0.00 0.00 0.65 3.38 -0.96 -0.89 115.31 116.76 1kqg h LEU 89 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1kqg h LEU 89 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1kqg h LEU 89 CO -0.06 0.00 -1.38 0.18 0.09 0.00 0.00 178.44 177.28 1kqg n LEU 90 N -3.52 0.51 -2.69 1.67 4.77 -0.48 -4.38 117.00 112.88 1kqg n LEU 90 Ca 0.01 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.91 1kqg n LEU 90 Cb 0.33 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1kqg n LEU 90 CO 0.24 -0.09 0.12 0.59 -1.33 0.00 0.00 177.39 176.92 1kqg n ASN 91 N -2.45 4.11 -0.14 -1.43 4.13 -0.35 -4.80 115.26 114.34 1kqg n ASN 91 Ca -0.01 -3.57 -0.11 0.00 1.68 0.00 0.00 54.58 52.56 1kqg n ASN 91 Cb 0.55 -0.51 -0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1kqg n ASN 91 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1kqg h ILE 92 N 2.66 1.28 -0.88 2.41 2.04 -1.73 -0.72 117.51 122.57 1kqg h ILE 92 Ca 0.20 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1kqg h ILE 92 Cb 0.81 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1kqg h ILE 92 CO 0.79 0.40 0.55 0.58 0.00 0.00 0.00 178.15 180.47 1kqg h VAL 93 N 0.60 1.24 -0.34 1.67 2.07 -1.90 -0.13 116.25 119.46 1kqg h VAL 93 Ca 0.10 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1kqg h VAL 93 Cb 0.64 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1kqg h VAL 93 CO 0.04 0.24 -0.34 -0.33 0.02 0.00 0.00 177.57 177.20 1kqg h GLU 94 N 1.21 0.75 -0.77 1.57 4.39 -1.90 -2.89 114.58 116.94 1kqg h GLU 94 Ca 0.32 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1kqg h GLU 94 Cb -0.08 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1kqg h GLU 94 CO -0.06 0.98 0.31 0.28 -1.16 0.00 0.00 179.01 179.36 1kqg h VAL 95 N 0.63 1.26 0.00 3.13 2.07 -0.13 -2.46 116.25 120.75 1kqg h VAL 95 Ca 0.06 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1kqg h VAL 95 Cb 0.88 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1kqg h VAL 95 CO 0.08 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.93 1kqg h LEU 96 N 1.12 0.00 -0.60 2.57 3.38 -0.95 -0.14 115.31 120.70 1kqg h LEU 96 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1kqg h LEU 96 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1kqg h LEU 96 CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 1kqg n LYS 97 N -3.06 1.40 -0.43 1.13 5.02 -1.00 -4.88 118.16 116.33 1kqg n LYS 97 Ca 0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1kqg n LYS 97 Cb 0.27 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1kqg n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kqg n GLY 98 N 1.03 0.74 1.92 0.72 0.00 -0.06 -5.00 105.19 104.53 1kqg n GLY 98 Ca 0.18 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 1kqg n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kqg n ASN 99 N 0.78 5.07 -0.02 1.61 3.02 -0.96 -4.81 115.26 119.95 1kqg n ASN 99 Ca 0.00 -3.77 -0.12 0.00 -0.03 0.00 0.00 54.58 50.66 1kqg n ASN 99 Cb 0.00 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1kqg n ASN 99 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1kqg h GLU 100 N 1.95 0.65 -0.56 3.52 4.11 -1.75 -3.20 114.58 119.29 1kqg h GLU 100 Ca 0.39 -0.43 0.11 0.00 0.07 0.00 0.00 59.36 59.50 1kqg h GLU 100 Cb 1.38 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.59 1kqg h GLU 100 CO 0.86 1.05 0.00 1.12 0.07 0.00 0.00 179.01 182.11 1kqg h HIS 101 N 0.49 -0.03 -0.51 2.06 2.07 -1.84 0.43 115.15 117.82 1kqg h HIS 101 Ca 0.00 0.04 0.10 0.00 -2.85 0.00 0.00 60.37 57.67 1kqg h HIS 101 Cb 1.15 0.10 -0.03 0.00 2.57 0.00 0.00 27.41 31.20 1kqg h HIS 101 CO 0.06 -0.14 0.35 0.87 -3.07 0.00 0.00 177.93 176.00 1kqg h LYS 102 N 0.12 0.25 0.00 5.12 1.57 -1.94 -3.19 116.57 118.50 1kqg h LYS 102 Ca 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1kqg h LYS 102 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1kqg h LYS 102 CO -0.47 0.16 -1.00 1.33 -0.57 0.00 0.00 179.45 178.90 1kqg n VAL 103 N -4.45 0.00 -4.14 0.50 0.24 0.15 -5.07 118.33 105.56 1kqg n VAL 103 Ca 0.08 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 62.08 1kqg n VAL 103 Cb 0.40 0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 33.47 1kqg n VAL 103 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kqg s ALA 104 N -2.66 0.75 -0.54 2.33 0.00 0.13 -4.57 121.76 117.20 1kqg s ALA 104 Ca 0.03 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 1kqg s ALA 104 Cb 0.12 1.29 0.10 0.00 0.00 0.00 0.00 23.12 24.63 1kqg s ALA 104 CO 0.66 -0.68 0.54 -0.51 0.00 0.00 0.00 175.76 175.77 1kqg s ASP 105 N -3.13 6.18 -0.27 0.00 1.11 -1.26 -4.70 116.67 114.61 1kqg s ASP 105 Ca 0.34 -1.51 -0.05 0.00 0.18 0.00 0.00 52.55 51.51 1kqg s ASP 105 Cb 0.04 -2.24 0.01 0.00 1.07 0.00 0.00 42.92 41.80 1kqg s ASP 105 CO 0.12 -0.88 0.02 -0.69 1.18 0.00 0.00 175.17 174.92 1kqg s VAL 106 N 2.00 3.62 0.00 -1.27 1.01 -1.26 -4.80 120.40 119.69 1kqg s VAL 106 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1kqg s VAL 106 Cb -0.26 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1kqg s VAL 106 CO 0.06 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1kqg n GLY 107 N 4.81 1.13 0.36 4.51 0.00 -1.26 -2.19 105.19 112.56 1kqg n GLY 107 Ca -0.16 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 1kqg n GLY 107 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kqg h LYS 108 N 0.00 -0.26 -5.54 1.61 1.63 -1.89 -3.39 116.57 108.73 1kqg h LYS 108 Ca 0.00 0.02 -0.55 0.00 -0.85 0.00 0.00 60.65 59.26 1kqg h LYS 108 Cb 0.00 0.06 -0.30 0.00 -0.60 0.00 0.00 32.23 31.39 1kqg h LYS 108 CO 0.00 -0.17 -0.84 0.71 -3.45 0.00 0.00 179.45 175.70 1kqg s TYR 109 N -5.93 1.62 1.11 1.91 2.02 -1.26 -4.98 117.35 111.83 1kqg s TYR 109 Ca -0.15 -0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.00 1kqg s TYR 109 Cb 0.13 -1.06 0.27 0.00 -0.40 0.00 0.00 41.96 40.90 1kqg s TYR 109 CO 0.67 -0.08 1.08 0.27 -1.57 0.00 0.00 175.55 175.92 1kqg n ASN 110 N 2.83 -1.56 0.20 2.29 0.23 -1.26 -4.82 115.26 113.16 1kqg n ASN 110 Ca -0.16 -1.20 0.04 0.00 -0.53 0.00 0.00 54.58 52.73 1kqg n ASN 110 Cb 0.54 -0.95 0.42 0.00 -2.08 0.00 0.00 39.78 37.70 1kqg n ASN 110 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kqg h ALA 111 N -2.50 1.38 0.05 -2.53 0.00 -1.92 -1.67 119.26 112.06 1kqg h ALA 111 Ca -0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1kqg h ALA 111 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1kqg h ALA 111 CO 0.26 0.40 -0.02 0.78 0.00 0.00 0.00 179.25 180.67 1kqg h GLY 112 N 1.09 -0.07 1.15 0.00 0.00 -1.96 -2.40 103.07 100.87 1kqg h GLY 112 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.43 1kqg h GLY 112 CO 0.04 -0.02 0.39 1.46 0.00 0.00 0.00 176.54 178.40 1kqg h GLN 113 N -0.50 0.47 -0.03 4.80 4.20 -1.88 -0.14 115.11 122.04 1kqg h GLN 113 Ca -0.01 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 1kqg h GLN 113 Cb 0.45 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1kqg h GLN 113 CO 0.01 0.31 -0.84 0.87 -0.67 0.00 0.00 178.83 178.51 1kqg h LYS 114 N 0.48 0.33 -0.49 1.46 1.57 -1.34 -1.17 116.57 117.41 1kqg h LYS 114 Ca 0.26 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1kqg h LYS 114 Cb 0.39 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1kqg h LYS 114 CO -0.07 1.00 0.02 0.52 -0.57 0.00 0.00 179.45 180.34 1kqg h MET 115 N 0.20 0.86 -0.26 3.15 2.86 -0.55 -2.06 114.93 119.13 1kqg h MET 115 Ca -0.05 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1kqg h MET 115 Cb 1.45 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 1kqg h MET 115 CO 0.14 0.89 0.17 1.98 1.06 0.00 0.00 176.91 181.15 1kqg h MET 116 N 0.72 0.34 -0.42 1.72 1.85 -1.16 0.11 114.93 118.09 1kqg h MET 116 Ca 0.14 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.28 1kqg h MET 116 Cb 0.49 -0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.39 1kqg h MET 116 CO 0.02 0.22 0.09 0.35 -0.40 0.00 0.00 176.91 177.20 1kqg h PHE 117 N 0.35 0.16 -0.20 1.39 3.57 -1.03 0.74 116.94 121.92 1kqg h PHE 117 Ca 0.10 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 1kqg h PHE 117 Cb -0.03 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1kqg h PHE 117 CO -0.06 0.02 -0.56 -1.49 -2.23 0.00 0.00 178.31 173.99 1kqg h TRP 118 N 0.23 0.76 0.37 0.41 4.06 -1.11 -0.60 115.95 120.08 1kqg h TRP 118 Ca 0.20 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1kqg h TRP 118 Cb 0.24 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1kqg h TRP 118 CO -0.20 1.02 -0.22 0.77 -3.56 0.00 0.00 178.44 176.26 1kqg h SER 119 N 0.46 -0.54 -0.89 -3.49 0.02 0.25 0.45 113.55 109.81 1kqg h SER 119 Ca 0.01 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1kqg h SER 119 Cb 1.11 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 1kqg h SER 119 CO 0.11 -0.35 0.56 0.40 -1.14 0.00 0.00 176.83 176.40 1kqg h ILE 120 N -0.56 1.05 -0.02 3.27 2.04 0.51 -0.41 117.51 123.39 1kqg h ILE 120 Ca -0.04 -0.35 -0.18 0.00 1.00 0.00 0.00 64.86 65.29 1kqg h ILE 120 Cb 0.45 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1kqg h ILE 120 CO 0.05 0.18 -0.79 0.24 0.00 0.00 0.00 178.15 177.83 1kqg h MET 121 N 1.01 0.22 -0.07 2.37 2.86 -0.60 -2.38 114.93 118.34 1kqg h MET 121 Ca 0.39 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1kqg h MET 121 Cb 0.18 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1kqg h MET 121 CO -0.18 0.90 -0.30 0.66 1.06 0.00 0.00 176.91 179.05 1kqg h SER 122 N 0.14 0.39 -0.61 1.22 4.64 0.47 -3.11 113.55 116.68 1kqg h SER 122 Ca -0.03 -0.64 0.03 0.00 -0.47 0.00 0.00 61.79 60.68 1kqg h SER 122 Cb 1.37 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1kqg h SER 122 CO 0.12 0.96 0.37 0.24 -0.87 0.00 0.00 176.83 177.65 1kqg h MET 123 N -0.16 0.69 0.00 4.77 2.07 -1.12 -0.32 114.93 120.87 1kqg h MET 123 Ca -0.02 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.54 1kqg h MET 123 Cb 0.94 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 30.51 1kqg h MET 123 CO 0.06 0.46 -0.14 0.97 1.07 0.00 0.00 176.91 179.33 1kqg h ILE 124 N 0.71 0.72 -0.03 -1.22 6.09 -1.49 0.32 117.51 122.61 1kqg h ILE 124 Ca 0.25 -0.58 -0.17 0.00 -1.37 0.00 0.00 64.86 63.00 1kqg h ILE 124 Cb 0.06 1.35 0.01 0.00 0.47 0.00 0.00 36.82 38.71 1kqg h ILE 124 CO -0.12 0.14 -0.64 0.15 -3.07 0.00 0.00 178.15 174.61 1kqg h PHE 125 N 0.00 0.70 -0.40 2.19 3.57 -1.24 -0.34 116.94 121.41 1kqg h PHE 125 Ca -0.00 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 1kqg h PHE 125 Cb 0.34 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1kqg h PHE 125 CO 0.00 1.17 0.21 0.28 -2.23 0.00 0.00 178.31 177.74 1kqg h VAL 126 N 0.03 1.16 -0.74 1.41 2.07 0.69 -1.34 116.25 119.53 1kqg h VAL 126 Ca -0.07 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1kqg h VAL 126 Cb 1.32 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1kqg h VAL 126 CO 0.13 0.17 0.37 -0.07 0.02 0.00 0.00 177.57 178.18 1kqg h LEU 127 N 0.52 0.95 0.10 2.57 3.38 -0.46 -0.77 115.31 121.60 1kqg h LEU 127 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1kqg h LEU 127 Cb 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1kqg h LEU 127 CO -0.02 0.80 -0.05 0.25 0.09 0.00 0.00 178.44 179.51 1kqg h LEU 128 N 1.05 -0.12 0.40 1.67 5.85 -0.60 0.21 115.31 123.77 1kqg h LEU 128 Ca 0.26 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1kqg h LEU 128 Cb 0.09 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1kqg h LEU 128 CO -0.03 0.16 -0.19 0.58 -0.34 0.00 0.00 178.44 178.61 1kqg h VAL 129 N -0.40 0.61 -0.35 1.05 2.07 -0.92 -1.73 116.25 116.57 1kqg h VAL 129 Ca -0.01 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1kqg h VAL 129 Cb 0.33 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1kqg h VAL 129 CO 0.02 0.02 -0.09 0.71 0.02 0.00 0.00 177.57 178.25 1kqg h THR 130 N -0.60 1.23 -0.38 2.57 1.35 -1.20 -2.23 112.91 113.66 1kqg h THR 130 Ca -0.06 -1.02 0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1kqg h THR 130 Cb 0.45 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1kqg h THR 130 CO 0.09 0.34 0.21 1.23 -0.25 0.00 0.00 175.52 177.15 1kqg h GLY 131 N 0.94 0.52 0.98 5.82 0.00 -0.50 -2.17 103.07 108.66 1kqg h GLY 131 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1kqg h GLY 131 CO 0.03 0.14 0.27 -2.08 0.00 0.00 0.00 176.54 174.89 1kqg h VAL 132 N 0.44 1.19 -0.44 4.60 2.07 -1.02 -1.98 116.25 121.11 1kqg h VAL 132 Ca 0.15 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1kqg h VAL 132 Cb 0.02 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1kqg h VAL 132 CO -0.08 0.20 0.28 0.40 0.02 0.00 0.00 177.57 178.40 1kqg h ILE 133 N 0.69 1.12 -0.33 4.57 2.04 -1.05 -2.54 117.51 122.00 1kqg h ILE 133 Ca 0.18 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1kqg h ILE 133 Cb 0.08 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1kqg h ILE 133 CO -0.03 0.11 0.00 2.30 0.00 0.00 0.00 178.15 180.54 1kqg n ILE 134 N -4.46 0.43 -2.41 -0.67 -5.35 -0.85 -3.62 119.36 102.42 1kqg n ILE 134 Ca 0.03 -0.65 -0.43 0.00 -0.27 0.00 0.00 62.75 61.44 1kqg n ILE 134 Cb 0.06 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 38.79 1kqg n ILE 134 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1kqg s TRP 135 N -1.57 2.46 -0.06 4.28 -0.11 -0.78 -4.80 118.94 118.36 1kqg s TRP 135 Ca 0.37 0.64 -0.02 0.00 1.22 0.00 0.00 56.10 58.31 1kqg s TRP 135 Cb 0.21 -4.36 -0.04 0.00 -1.50 0.00 0.00 33.47 27.79 1kqg s TRP 135 CO 0.30 -1.83 0.05 1.03 -4.62 0.00 0.00 176.95 171.88 1kqg s ARG 136 N 4.94 3.09 0.00 5.86 0.52 -1.26 -1.33 118.95 130.77 1kqg s ARG 136 Ca 0.57 -0.39 0.24 0.00 -0.52 0.00 0.00 55.73 55.63 1kqg s ARG 136 Cb -0.12 -2.88 0.33 0.00 0.52 0.00 0.00 34.95 32.79 1kqg s ARG 136 CO 0.31 0.70 1.29 -0.35 0.02 0.00 0.00 175.30 177.27 1kqg n PRO 137 N 1.76 0.47 0.11 3.54 -0.04 -1.26 -4.95 135.00 134.63 1kqg n PRO 137 Ca -0.17 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 62.83 1kqg n PRO 137 Cb 0.54 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1kqg n PRO 137 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1kqg h TYR 138 N 0.80 -0.25 0.00 0.54 0.05 -1.96 -3.43 116.97 112.72 1kqg h TYR 138 Ca 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1kqg h TYR 138 Cb 0.55 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1kqg h TYR 138 CO 0.00 0.01 -1.16 1.19 -1.05 0.00 0.00 178.16 177.15 1kqg n PHE 139 N -5.11 0.00 0.05 4.88 3.72 -0.44 -4.77 117.46 115.79 1kqg n PHE 139 Ca -0.09 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.50 1kqg n PHE 139 Cb 0.20 -0.11 0.71 0.00 -0.94 0.00 0.00 39.48 39.34 1kqg n PHE 139 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kqg h ALA 140 N 0.11 2.33 -0.07 4.37 0.00 -1.34 -1.73 119.26 122.93 1kqg h ALA 140 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1kqg h ALA 140 Cb 1.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kqg h ALA 140 CO 0.00 -0.57 0.07 -0.56 0.00 0.00 0.00 179.25 178.19 1kqg h GLN 141 N 0.00 0.00 0.00 0.00 3.07 -1.85 -2.27 115.11 114.06 1kqg h GLN 141 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1kqg h GLN 141 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1kqg h GLN 141 CO -0.00 0.00 -0.09 0.66 0.09 0.00 0.00 178.83 179.49 1kqg n TYR 142 N -4.03 0.30 -4.00 0.06 4.01 -0.65 -4.85 117.16 107.99 1kqg n TYR 142 Ca -0.01 0.09 -0.35 0.00 -0.16 0.00 0.00 57.90 57.46 1kqg n TYR 142 Cb 0.17 -0.61 -0.06 0.00 -0.31 0.00 0.00 39.34 38.53 1kqg n TYR 142 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1kqg s PHE 143 N -3.04 3.47 0.30 -0.72 0.08 -0.86 -5.07 117.98 112.14 1kqg s PHE 143 Ca 0.12 0.39 -0.30 0.00 0.12 0.00 0.00 56.93 57.26 1kqg s PHE 143 Cb 0.17 -1.86 -0.12 0.00 -0.57 0.00 0.00 43.02 40.63 1kqg s PHE 143 CO 0.58 0.65 1.42 -2.30 -0.10 0.00 0.00 175.22 175.47 1kqg n PRO 144 N 1.67 2.28 -0.34 0.24 -0.02 -1.26 -4.81 135.00 132.76 1kqg n PRO 144 Ca -0.17 0.81 0.21 0.00 -2.02 0.00 0.00 63.50 62.32 1kqg n PRO 144 Cb 0.54 -2.48 0.44 0.00 -0.02 0.00 0.00 33.50 31.99 1kqg n PRO 144 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1kqg h MET 145 N 3.74 0.46 -0.34 -0.52 4.05 -1.97 -1.18 114.93 119.16 1kqg h MET 145 Ca -0.46 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 58.86 1kqg h MET 145 Cb 1.26 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 1kqg h MET 145 CO 0.72 0.31 -0.08 0.37 0.23 0.00 0.00 176.91 178.45 1kqg h GLN 146 N 0.48 0.57 -0.24 0.39 5.75 -1.99 0.81 115.11 120.87 1kqg h GLN 146 Ca 0.65 -0.15 -0.17 0.00 -0.15 0.00 0.00 58.65 58.82 1kqg h GLN 146 Cb 1.42 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.90 1kqg h GLN 146 CO -0.43 0.65 -0.54 0.28 -2.65 0.00 0.00 178.83 176.13 1kqg h VAL 147 N 0.53 1.30 -0.35 2.39 2.07 -1.59 -2.23 116.25 118.36 1kqg h VAL 147 Ca 0.10 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1kqg h VAL 147 Cb 0.46 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1kqg h VAL 147 CO 0.02 0.56 0.07 0.58 0.02 0.00 0.00 177.57 178.82 1kqg h VAL 148 N 0.55 1.23 -0.51 2.57 2.07 -1.01 -0.45 116.25 120.71 1kqg h VAL 148 Ca 0.01 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1kqg h VAL 148 Cb 1.12 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1kqg h VAL 148 CO 0.11 0.27 0.32 0.03 0.02 0.00 0.00 177.57 178.33 1kqg h ARG 149 N 0.41 0.64 -0.39 1.57 3.08 -0.86 0.54 114.38 119.37 1kqg h ARG 149 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1kqg h ARG 149 Cb 0.33 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1kqg h ARG 149 CO 0.00 0.42 0.16 1.88 -1.07 0.00 0.00 179.97 181.37 1kqg h TYR 150 N 0.66 0.59 -0.72 3.04 0.05 -1.29 -2.37 116.97 116.94 1kqg h TYR 150 Ca 0.19 -0.04 0.07 0.00 0.05 0.00 0.00 58.73 59.00 1kqg h TYR 150 Cb -0.05 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.47 1kqg h TYR 150 CO -0.05 0.52 0.47 0.77 -1.05 0.00 0.00 178.16 178.83 1kqg h SER 151 N 0.49 0.63 -0.28 3.88 0.02 -0.78 0.36 113.55 117.87 1kqg h SER 151 Ca 0.13 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1kqg h SER 151 Cb 0.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1kqg h SER 151 CO -0.01 0.40 0.00 -0.07 -1.14 0.00 0.00 176.83 176.01 1kqg h LEU 152 N 0.71 0.48 0.20 5.07 3.38 -0.53 0.01 115.31 124.63 1kqg h LEU 152 Ca 0.32 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1kqg h LEU 152 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1kqg h LEU 152 CO -0.11 0.67 -0.10 0.25 0.09 0.00 0.00 178.44 179.24 1kqg h LEU 153 N 0.28 -0.23 -0.52 1.67 5.85 -0.79 -2.64 115.31 118.93 1kqg h LEU 153 Ca 0.08 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1kqg h LEU 153 Cb 0.42 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1kqg h LEU 153 CO 0.01 -0.12 0.20 0.40 -0.34 0.00 0.00 178.44 178.59 1kqg h ILE 154 N -0.32 1.22 -0.99 4.05 2.04 -0.94 -2.07 117.51 120.49 1kqg h ILE 154 Ca -0.03 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1kqg h ILE 154 Cb 0.25 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1kqg h ILE 154 CO 0.05 0.26 0.65 -0.74 0.00 0.00 0.00 178.15 178.37 1kqg h HIS 155 N 0.70 1.22 -0.04 1.37 2.76 -1.01 0.28 115.15 120.43 1kqg h HIS 155 Ca 0.17 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1kqg h HIS 155 Cb 0.22 -0.41 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 1kqg h HIS 155 CO 0.01 0.70 0.00 0.00 -1.30 0.00 0.00 177.93 177.34 1kqg h ALA 156 N 1.41 0.05 -0.07 5.26 0.00 -1.21 -0.82 119.26 123.88 1kqg h ALA 156 Ca 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1kqg h ALA 156 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1kqg h ALA 156 CO -0.13 -0.30 0.04 0.00 0.00 0.00 0.00 179.25 178.86 1kqg h ALA 157 N 0.74 0.09 -0.51 0.00 0.00 -1.02 -2.24 119.26 116.31 1kqg h ALA 157 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1kqg h ALA 157 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1kqg h ALA 157 CO 0.00 -0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.19 1kqg h ALA 158 N 0.95 0.66 -0.78 0.00 0.00 -0.41 -0.46 119.26 119.22 1kqg h ALA 158 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1kqg h ALA 158 Cb 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1kqg h ALA 158 CO -0.00 0.02 0.52 0.78 0.00 0.00 0.00 179.25 180.57 1kqg h GLY 159 N 0.62 1.10 0.98 0.00 0.00 -1.08 -0.42 103.07 104.27 1kqg h GLY 159 Ca 0.20 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 1kqg h GLY 159 CO -0.08 0.40 -0.38 -2.22 0.00 0.00 0.00 176.54 174.26 1kqg h ILE 160 N 1.06 1.31 -0.04 2.60 1.08 -0.93 -2.23 117.51 120.36 1kqg h ILE 160 Ca 0.29 -1.58 -0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1kqg h ILE 160 Cb -0.12 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1kqg h ILE 160 CO -0.06 0.50 0.02 0.40 -0.69 0.00 0.00 178.15 178.32 1kqg h ILE 161 N 0.40 1.09 -0.92 -0.67 2.04 -0.53 -1.35 117.51 117.58 1kqg h ILE 161 Ca 0.02 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1kqg h ILE 161 Cb 0.97 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1kqg h ILE 161 CO 0.09 0.08 0.61 0.25 0.00 0.00 0.00 178.15 179.17 1kqg h LEU 162 N -0.04 1.00 -0.40 1.44 5.85 -1.10 -1.33 115.31 120.73 1kqg h LEU 162 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1kqg h LEU 162 Cb 0.11 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1kqg h LEU 162 CO -0.00 0.69 0.17 0.40 -0.34 0.00 0.00 178.44 179.35 1kqg h ILE 163 N 1.16 1.19 0.25 4.05 2.04 -1.02 -0.93 117.51 124.25 1kqg h ILE 163 Ca 0.37 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1kqg h ILE 163 Cb 0.01 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1kqg h ILE 163 CO -0.11 0.21 -0.27 0.45 0.00 0.00 0.00 178.15 178.43 1kqg h HIS 164 N 0.50 -0.73 -0.49 1.37 3.86 -0.67 0.13 115.15 119.13 1kqg h HIS 164 Ca 0.13 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.44 1kqg h HIS 164 Cb 0.17 0.29 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 1kqg h HIS 164 CO -0.00 -0.39 -0.37 0.00 0.86 0.00 0.00 177.93 178.02 1kqg h ALA 165 N 0.08 -0.22 -0.24 2.45 0.00 -1.10 -0.25 119.26 119.97 1kqg h ALA 165 Ca -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1kqg h ALA 165 Cb 0.53 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1kqg h ALA 165 CO -0.07 -0.76 0.03 0.82 0.00 0.00 0.00 179.25 179.26 1kqg h ILE 166 N -0.24 1.14 -0.07 0.00 1.08 -0.77 0.30 117.51 118.95 1kqg h ILE 166 Ca 0.18 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1kqg h ILE 166 Cb 0.56 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1kqg h ILE 166 CO -0.62 0.17 0.04 -0.07 -0.69 0.00 0.00 178.15 176.99 1kqg h LEU 167 N 0.34 0.07 -0.65 1.44 3.38 0.67 -0.74 115.31 119.81 1kqg h LEU 167 Ca 0.08 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1kqg h LEU 167 Cb 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1kqg h LEU 167 CO 0.00 0.05 0.25 0.40 0.09 0.00 0.00 178.44 179.23 1kqg h ILE 168 N 0.09 1.24 -0.81 1.22 2.04 -0.53 -1.58 117.51 119.18 1kqg h ILE 168 Ca 0.03 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1kqg h ILE 168 Cb -0.01 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1kqg h ILE 168 CO -0.01 0.30 0.51 -0.74 0.00 0.00 0.00 178.15 178.22 1kqg h HIS 169 N 0.93 0.96 -0.17 1.37 2.76 -0.80 -0.55 115.15 119.66 1kqg h HIS 169 Ca 0.22 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.23 1kqg h HIS 169 Cb 0.23 -0.32 0.01 0.00 1.55 0.00 0.00 27.41 28.88 1kqg h HIS 169 CO 0.02 0.54 -0.62 0.52 -1.30 0.00 0.00 177.93 177.09 1kqg h MET 170 N 0.99 0.72 0.30 5.26 2.86 -0.98 -2.47 114.93 121.61 1kqg h MET 170 Ca 0.33 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1kqg h MET 170 Cb 0.03 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1kqg h MET 170 CO -0.12 1.17 -0.33 -0.92 1.06 0.00 0.00 176.91 177.77 1kqg h TYR 171 N 0.42 -0.88 -0.42 -0.22 3.20 -1.05 -0.78 116.97 117.24 1kqg h TYR 171 Ca -0.03 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.93 1kqg h TYR 171 Cb 1.25 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 39.80 1kqg h TYR 171 CO 0.09 -0.46 -0.01 0.52 -1.64 0.00 0.00 178.16 176.67 1kqg h MET 172 N -0.66 0.10 -0.60 1.82 2.86 -1.14 0.30 114.93 117.61 1kqg h MET 172 Ca -0.01 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1kqg h MET 172 Cb 0.61 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1kqg h MET 172 CO -0.08 0.06 0.40 0.00 1.06 0.00 0.00 176.91 178.35 1kqg h ALA 173 N 1.37 1.83 0.01 6.32 0.00 -1.22 0.13 119.26 127.71 1kqg h ALA 173 Ca 0.21 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1kqg h ALA 173 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kqg h ALA 173 CO -0.35 0.06 -0.93 0.35 0.00 0.00 0.00 179.25 178.38 1kqg h PHE 174 N 0.56 0.41 -0.02 0.00 3.57 0.47 -3.37 116.94 118.57 1kqg h PHE 174 Ca 0.26 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1kqg h PHE 174 Cb 0.30 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1kqg h PHE 174 CO -0.00 1.06 -0.14 2.35 -2.23 0.00 0.00 178.31 179.35 1kqg h TRP 175 N 0.15 0.19 -1.36 0.41 7.01 0.79 -3.38 115.95 119.76 1kqg h TRP 175 Ca -0.06 -0.09 -0.68 0.00 2.11 0.00 0.00 58.89 60.18 1kqg h TRP 175 Cb 1.57 -0.03 -0.12 0.00 -2.10 0.00 0.00 29.16 28.49 1kqg h TRP 175 CO 0.04 0.80 1.72 0.08 -2.79 0.00 0.00 178.44 178.30 1kqg s VAL 176 N -3.50 4.33 0.29 2.65 1.01 0.33 -4.94 120.40 120.57 1kqg s VAL 176 Ca -0.16 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 59.76 1kqg s VAL 176 Cb 0.01 -5.06 -0.14 0.00 0.00 0.00 0.00 36.38 31.19 1kqg s VAL 176 CO 0.72 -1.87 1.04 0.29 0.00 0.00 0.00 175.10 175.28 1kqg n LYS 177 N 7.73 1.40 0.00 2.72 4.76 -1.26 -2.35 118.16 131.15 1kqg n LYS 177 Ca 0.40 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.33 1kqg n LYS 177 Cb 0.47 -1.88 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1kqg n LYS 177 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kqg n GLY 178 N 1.24 2.29 0.26 0.72 0.00 -1.26 -4.96 105.19 103.47 1kqg n GLY 178 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1kqg n GLY 178 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kqg h SER 179 N 0.00 0.79 -0.75 1.61 0.02 -1.70 -3.12 113.55 110.40 1kqg h SER 179 Ca 0.00 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1kqg h SER 179 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1kqg h SER 179 CO 0.00 0.73 0.35 0.40 -1.14 0.00 0.00 176.83 177.17 1kqg h ILE 180 N 0.80 1.24 -0.77 3.27 2.04 -1.85 -2.72 117.51 119.52 1kqg h ILE 180 Ca 0.19 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1kqg h ILE 180 Cb 0.18 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1kqg h ILE 180 CO -0.02 0.29 0.47 0.11 0.00 0.00 0.00 178.15 179.00 1kqg h LYS 181 N 1.06 0.84 -0.66 2.37 1.79 -1.93 -0.07 116.57 119.97 1kqg h LYS 181 Ca 0.26 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 1kqg h LYS 181 Cb 0.14 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1kqg h LYS 181 CO -0.03 0.55 0.44 0.78 -1.08 0.00 0.00 179.45 180.11 1kqg h GLY 182 N 0.86 0.88 1.87 3.86 0.00 -1.43 0.68 103.07 109.80 1kqg h GLY 182 Ca 0.33 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1kqg h GLY 182 CO -0.16 0.25 -0.61 1.98 0.00 0.00 0.00 176.54 177.99 1kqg h MET 183 N 0.75 0.00 0.01 4.80 1.85 -1.05 0.35 114.93 121.64 1kqg h MET 183 Ca 0.27 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 59.18 1kqg h MET 183 Cb 0.14 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 1kqg h MET 183 CO -0.08 0.46 -1.00 0.82 -0.40 0.00 0.00 176.91 176.72 1kqg h ILE 184 N 0.00 1.11 0.00 1.77 2.04 -0.46 -3.41 117.51 118.56 1kqg h ILE 184 Ca -0.02 -2.23 -0.31 0.00 1.00 0.00 0.00 64.86 63.30 1kqg h ILE 184 Cb 1.40 2.51 -0.06 0.00 -0.74 0.00 0.00 36.82 39.93 1kqg h ILE 184 CO 0.06 0.40 -1.99 -0.62 0.00 0.00 0.00 178.15 176.00 1kqg n GLU 185 N -4.44 0.66 0.00 2.37 1.02 0.23 -5.01 120.64 115.47 1kqg n GLU 185 Ca -0.27 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1kqg n GLU 185 Cb 0.65 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1kqg n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqg n GLY 186 N 1.63 1.97 3.50 0.62 0.00 0.12 -4.98 105.19 108.04 1kqg n GLY 186 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1kqg n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqg s LYS 187 N -0.70 2.53 -0.04 1.61 1.02 -1.25 0.19 119.74 123.10 1kqg s LYS 187 Ca 0.00 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.37 1kqg s LYS 187 Cb 0.00 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1kqg s LYS 187 CO 0.00 0.63 -0.25 0.14 -0.92 0.00 0.00 175.35 174.95 1kqg s VAL 188 N -0.76 2.12 0.34 3.17 -7.23 0.23 -3.93 120.40 114.35 1kqg s VAL 188 Ca 0.12 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.95 1kqg s VAL 188 Cb -0.11 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.98 1kqg s VAL 188 CO 0.01 0.57 1.28 -0.94 -0.31 0.00 0.00 175.10 175.72 1kqg s SER 189 N -0.34 6.72 0.36 4.85 1.04 -1.26 0.12 113.70 125.19 1kqg s SER 189 Ca 0.02 2.63 0.13 0.00 0.48 0.00 0.00 55.95 59.21 1kqg s SER 189 Cb -0.12 -2.64 0.97 0.00 0.10 0.00 0.00 66.02 64.33 1kqg s SER 189 CO 0.02 -0.56 1.76 0.03 0.98 0.00 0.00 173.24 175.47 1kqg h ARG 190 N 3.25 0.50 -0.33 4.02 3.08 -1.81 0.14 114.38 123.24 1kqg h ARG 190 Ca -0.49 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.47 1kqg h ARG 190 Cb 1.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1kqg h ARG 190 CO 0.65 0.33 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.72 1kqg h ARG 191 N 0.52 0.53 -0.46 0.04 2.43 -1.91 0.22 114.38 115.74 1kqg h ARG 191 Ca 0.61 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1kqg h ARG 191 Cb 1.31 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1kqg h ARG 191 CO -0.37 0.61 0.19 2.35 -1.51 0.00 0.00 179.97 181.24 1kqg h TRP 192 N 0.50 0.70 -0.09 2.20 7.01 -1.12 0.25 115.95 125.40 1kqg h TRP 192 Ca 0.10 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1kqg h TRP 192 Cb 0.43 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1kqg h TRP 192 CO 0.01 0.59 0.03 0.00 -2.79 0.00 0.00 178.44 176.29 1kqg h ALA 193 N 1.04 0.10 -0.89 2.65 0.00 -0.84 0.22 119.26 121.54 1kqg h ALA 193 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1kqg h ALA 193 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1kqg h ALA 193 CO -0.01 -0.43 0.48 0.87 0.00 0.00 0.00 179.25 180.16 1kqg h LYS 194 N 0.08 1.24 0.01 0.00 1.57 0.04 0.42 116.57 119.93 1kqg h LYS 194 Ca 0.04 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1kqg h LYS 194 Cb 0.02 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.09 1kqg h LYS 194 CO -0.04 0.92 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.31 1kqg h LYS 195 N 1.25 0.13 0.00 3.15 3.64 -0.25 -3.30 116.57 121.19 1kqg h LYS 195 Ca 0.31 -0.16 -0.27 0.00 -1.27 0.00 0.00 60.65 59.27 1kqg h LYS 195 Cb 0.04 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1kqg h LYS 195 CO -0.05 0.94 -1.63 0.45 -2.27 0.00 0.00 179.45 176.90 1kqg h HIS 196 N -0.61 0.00 -1.33 1.91 3.86 -0.60 -3.41 115.15 114.97 1kqg h HIS 196 Ca -0.03 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.75 1kqg h HIS 196 Cb 1.03 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.10 1kqg h HIS 196 CO 0.20 0.93 -1.11 0.72 0.86 0.00 0.00 177.93 179.53 1kqg n HIS 197 N -3.03 1.41 0.00 2.45 8.25 0.14 -4.82 115.22 119.62 1kqg n HIS 197 Ca -0.15 -3.10 0.00 0.00 -0.26 0.00 0.00 57.72 54.21 1kqg n HIS 197 Cb 1.01 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1kqg n HIS 197 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1kqg n PRO 198 N -0.06 0.00 -0.34 -0.41 -0.02 -1.01 -1.53 135.00 131.64 1kqg n PRO 198 Ca 0.17 0.76 0.19 0.00 -2.02 0.00 0.00 63.50 62.60 1kqg n PRO 198 Cb 0.75 -1.15 0.42 0.00 -0.02 0.00 0.00 33.50 33.49 1kqg n PRO 198 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1kqg h ARG 199 N 0.00 0.53 0.43 -0.52 2.43 -1.76 0.10 114.38 115.59 1kqg h ARG 199 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1kqg h ARG 199 Cb 0.00 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1kqg h ARG 199 CO 0.00 0.35 -0.25 2.35 -1.51 0.00 0.00 179.97 180.91 1kqg h TRP 200 N 0.54 -0.65 -0.27 2.20 7.01 -1.33 -1.12 115.95 122.33 1kqg h TRP 200 Ca 0.63 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.51 1kqg h TRP 200 Cb 1.29 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 28.56 1kqg h TRP 200 CO -0.01 -0.39 -0.29 -0.92 -2.79 0.00 0.00 178.44 174.05 1kqg h TYR 201 N -0.64 0.64 -0.17 2.65 3.20 -0.39 -1.72 116.97 120.54 1kqg h TYR 201 Ca -0.05 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.72 1kqg h TYR 201 Cb 0.52 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1kqg h TYR 201 CO -0.08 0.79 -0.24 0.00 -1.64 0.00 0.00 178.16 176.99 1kqg h ARG 202 N 0.48 -0.27 -0.82 1.82 3.08 -0.59 0.47 114.38 118.55 1kqg h ARG 202 Ca 0.06 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.24 1kqg h ARG 202 Cb 0.75 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.78 1kqg h ARG 202 CO 0.06 -0.18 0.45 0.93 -1.07 0.00 0.00 179.97 180.15 1kqg h GLU 203 N -0.28 0.69 0.03 0.04 4.39 -0.49 0.18 114.58 119.14 1kqg h GLU 203 Ca 0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1kqg h GLU 203 Cb 0.45 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1kqg h GLU 203 CO -0.33 0.45 -0.02 0.82 -1.16 0.00 0.00 179.01 178.78 1kqg h ILE 204 N 0.71 1.18 -0.43 3.13 2.04 -0.37 0.22 117.51 123.99 1kqg h ILE 204 Ca 0.42 -0.68 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1kqg h ILE 204 Cb 0.47 1.63 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 1kqg h ILE 204 CO -0.29 0.17 -0.09 -0.08 0.00 0.00 0.00 178.15 177.86 1kqg h GLU 205 N -0.34 0.01 0.44 2.37 4.81 0.44 0.75 114.58 123.06 1kqg h GLU 205 Ca -0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1kqg h GLU 205 Cb 0.32 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1kqg h GLU 205 CO 0.01 0.01 -0.21 0.87 -0.73 0.00 0.00 179.01 178.96 1kqg h LYS 206 N 0.02 -0.57 -0.63 1.92 6.56 -0.93 -0.43 116.57 122.52 1kqg h LYS 206 Ca 0.21 0.04 0.12 0.00 -1.06 0.00 0.00 60.65 59.96 1kqg h LYS 206 Cb 0.32 0.13 -0.12 0.00 -0.57 0.00 0.00 32.23 31.99 1kqg h LYS 206 CO -0.43 -0.31 -0.19 0.00 -2.06 0.00 0.00 179.45 176.46 1kqg h ALA 207 N -0.23 0.33 -3.00 3.86 0.00 0.13 0.15 119.26 120.50 1kqg h ALA 207 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kqg h ALA 207 Cb 0.52 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kqg h ALA 207 CO 0.10 -0.47 0.00 -1.91 0.00 0.00 0.00 179.25 176.97 1kqg n GLU 208 N -5.44 0.00 -0.29 0.00 2.13 0.26 -1.77 120.64 115.52 1kqg n GLU 208 Ca 0.07 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.84 1kqg n GLU 208 Cb 0.34 -0.45 -0.04 0.00 0.27 0.00 0.00 31.44 31.56 1kqg n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kqg n ALA 209 N -3.00 -0.33 -0.02 4.31 0.00 -0.18 -1.43 120.51 119.85 1kqg n ALA 209 Ca 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 53.44 53.99 1kqg n ALA 209 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1kqg n ALA 209 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kqg h LYS 210 N 0.00 -0.36 0.00 0.00 1.63 -0.80 0.35 116.57 117.39 1kqg h LYS 210 Ca 0.16 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1kqg h LYS 210 Cb 0.34 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1kqg h LYS 210 CO -0.69 -0.24 -0.15 0.87 -3.45 0.00 0.00 179.45 175.79 1kqg h LYS 211 N -0.37 0.00 0.00 1.90 1.79 -0.41 0.45 116.57 119.94 1kqg h LYS 211 Ca 0.11 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1kqg h LYS 211 Cb 0.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1kqg h LYS 211 CO -0.39 0.15 -0.32 0.93 -1.08 0.00 0.00 179.45 178.74 1kqg h GLU 212 N 0.00 0.00 0.00 3.15 5.08 -0.44 -2.01 114.58 120.35 1kqg h GLU 212 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1kqg h GLU 212 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1kqg h GLU 212 CO 0.02 0.32 -0.66 0.77 -1.00 0.00 0.00 179.01 178.45 1kqg h SER 213 N 0.00 0.00 0.21 1.42 0.02 0.12 -3.20 113.55 112.12 1kqg h SER 213 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1kqg h SER 213 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1kqg h SER 213 CO 0.04 0.63 -0.66 -0.08 -1.14 0.00 0.00 176.83 175.62 1kqg h GLU 214 N 0.00 0.42 -0.59 3.45 4.57 0.05 -3.17 114.58 119.31 1kqg h GLU 214 Ca -0.01 -0.31 0.08 0.00 -1.18 0.00 0.00 59.36 57.93 1kqg h GLU 214 Cb 1.49 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 30.07 1kqg h GLU 214 CO 0.08 0.94 0.25 1.05 -1.18 0.00 0.00 179.01 180.14 1kqg h GLU 215 N 0.30 0.44 0.00 1.92 4.11 -1.36 -3.46 114.58 116.52 1kqg h GLU 215 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1kqg h GLU 215 Cb 1.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1kqg h GLU 215 CO 0.11 0.29 0.00 0.41 0.07 0.00 0.00 179.01 179.89 1kqg n GLY 216 N -1.28 1.66 0.00 1.06 0.00 -1.20 -5.14 105.19 100.29 1kqg n GLY 216 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1kqg n GLY 216 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71