#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huw s PRO 2 N 0.00 4.14 -0.04 -1.08 0.04 -1.26 -4.95 135.00 131.85 1huw s PRO 2 Ca 0.00 2.58 0.19 0.00 0.04 0.00 0.00 61.00 63.81 1huw s PRO 2 Cb 0.00 -3.66 0.60 0.00 0.04 0.00 0.00 34.50 31.47 1huw s PRO 2 CO 0.00 -0.85 1.51 -2.37 0.04 0.00 0.00 177.00 175.33 1huw n THR 3 N 4.84 1.32 -4.81 1.26 5.66 -1.26 -4.87 114.28 116.41 1huw n THR 3 Ca 0.18 -1.11 -0.33 0.00 -3.05 0.00 0.00 64.05 59.75 1huw n THR 3 Cb 0.39 0.35 -0.15 0.00 -1.55 0.00 0.00 70.33 69.37 1huw n THR 3 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1huw s ILE 4 N -1.35 2.84 0.48 1.09 1.01 -1.26 -5.10 121.20 118.91 1huw s ILE 4 Ca 0.44 -0.73 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 1huw s ILE 4 Cb 0.26 -2.18 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 1huw s ILE 4 CO 0.26 0.53 1.24 -2.16 0.00 0.00 0.00 174.94 174.80 1huw s PRO 5 N 0.41 3.58 0.30 2.79 0.04 -1.26 -4.86 135.00 136.00 1huw s PRO 5 Ca -0.12 1.95 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1huw s PRO 5 Cb -0.16 -2.39 0.77 0.00 0.04 0.00 0.00 34.50 32.76 1huw s PRO 5 CO 0.06 -0.75 1.72 1.25 0.04 0.00 0.00 177.00 179.32 1huw h LEU 6 N 1.91 0.52 -1.31 -3.56 5.85 -1.98 -2.26 115.31 114.48 1huw h LEU 6 Ca -0.50 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1huw h LEU 6 Cb 1.26 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1huw h LEU 6 CO 0.59 0.08 -0.22 0.77 -0.34 0.00 0.00 178.44 179.33 1huw h SER 7 N 0.52 0.18 -0.22 1.25 4.64 -1.93 -1.21 113.55 116.78 1huw h SER 7 Ca 0.58 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.70 1huw h SER 7 Cb 1.07 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1huw h SER 7 CO -0.48 0.42 -0.48 -0.09 -0.87 0.00 0.00 176.83 175.33 1huw h ARG 8 N 0.17 0.71 -0.82 4.77 9.65 -1.79 -1.46 114.38 125.60 1huw h ARG 8 Ca 0.03 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1huw h ARG 8 Cb 0.49 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.10 1huw h ARG 8 CO 0.03 1.09 0.52 -0.07 2.80 0.00 0.00 179.97 184.34 1huw h LEU 9 N 0.42 0.97 -0.78 3.80 3.38 -1.02 -0.54 115.31 121.55 1huw h LEU 9 Ca 0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1huw h LEU 9 Cb 1.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1huw h LEU 9 CO 0.10 0.73 -0.46 0.00 0.09 0.00 0.00 178.44 178.91 1huw h ALA 10 N 1.28 0.95 -0.23 1.53 0.00 -1.16 -2.17 119.26 119.46 1huw h ALA 10 Ca 0.30 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1huw h ALA 10 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1huw h ALA 10 CO -0.06 0.64 -0.06 0.22 0.00 0.00 0.00 179.25 179.99 1huw h ASP 11 N 0.29 0.45 -0.08 0.00 1.82 -1.00 -1.61 116.42 116.29 1huw h ASP 11 Ca 0.02 -0.37 -0.11 0.00 -0.39 0.00 0.00 57.03 56.18 1huw h ASP 11 Cb 0.92 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1huw h ASP 11 CO 0.08 0.72 -0.30 0.78 -1.61 0.00 0.00 179.24 178.90 1huw h ASN 12 N 0.19 0.57 -0.18 2.28 2.35 -1.10 0.03 115.58 119.71 1huw h ASN 12 Ca 0.06 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1huw h ASN 12 Cb 0.52 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1huw h ASN 12 CO 0.02 0.84 -0.07 0.00 -1.65 0.00 0.00 177.43 176.58 1huw h ALA 13 N 1.20 0.25 -0.64 -0.83 0.00 -1.37 -2.54 119.26 115.33 1huw h ALA 13 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1huw h ALA 13 Cb 0.76 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1huw h ALA 13 CO 0.06 0.05 0.36 2.35 0.00 0.00 0.00 179.25 182.07 1huw h TRP 14 N 0.06 0.86 -0.49 0.00 7.01 -1.12 -2.73 115.95 119.54 1huw h TRP 14 Ca 0.04 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1huw h TRP 14 Cb 0.53 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 1huw h TRP 14 CO 0.06 0.61 0.31 -0.07 -2.79 0.00 0.00 178.44 176.56 1huw h LEU 15 N 0.86 0.58 -0.29 0.65 3.38 -0.89 -0.94 115.31 118.67 1huw h LEU 15 Ca 0.23 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1huw h LEU 15 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1huw h LEU 15 CO -0.04 0.43 -0.22 0.03 0.09 0.00 0.00 178.44 178.74 1huw h ARG 16 N 0.67 0.65 -0.59 1.13 3.08 -1.39 -2.35 114.38 115.60 1huw h ARG 16 Ca 0.18 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1huw h ARG 16 Cb -0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1huw h ARG 16 CO -0.04 0.92 0.01 0.00 -1.07 0.00 0.00 179.97 179.79 1huw h ALA 17 N 0.72 0.79 -0.92 0.04 0.00 -1.15 -2.54 119.26 116.20 1huw h ALA 17 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1huw h ALA 17 Cb 0.77 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1huw h ALA 17 CO 0.06 0.62 0.52 0.22 0.00 0.00 0.00 179.25 180.67 1huw h ASP 18 N 0.92 1.14 -0.33 0.00 3.58 -1.13 -0.14 116.42 120.47 1huw h ASP 18 Ca 0.17 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1huw h ASP 18 Cb 0.54 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1huw h ASP 18 CO 0.03 0.90 0.08 -0.09 -2.88 0.00 0.00 179.24 177.28 1huw h ARG 19 N 1.28 0.52 -0.59 0.28 2.43 -1.36 -0.13 114.38 116.82 1huw h ARG 19 Ca 0.33 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1huw h ARG 19 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1huw h ARG 19 CO -0.05 0.59 0.10 -0.07 -1.51 0.00 0.00 179.97 179.02 1huw h LEU 20 N 0.37 0.93 -0.83 3.80 3.38 -1.29 -1.29 115.31 120.38 1huw h LEU 20 Ca 0.10 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1huw h LEU 20 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1huw h LEU 20 CO 0.00 0.95 0.13 -1.13 0.09 0.00 0.00 178.44 178.48 1huw h ASN 21 N 0.87 0.95 -0.43 -0.43 -0.00 -0.85 0.98 115.58 116.67 1huw h ASN 21 Ca 0.18 -0.20 -0.02 0.00 -0.00 0.00 0.00 56.30 56.25 1huw h ASN 21 Cb 0.42 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.47 1huw h ASN 21 CO 0.01 0.94 0.19 -0.61 -0.00 0.00 0.00 177.43 177.96 1huw h GLN 22 N 0.95 0.63 -0.40 6.67 -0.00 -0.76 -1.23 115.11 120.98 1huw h GLN 22 Ca 0.20 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 1huw h GLN 22 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1huw h GLN 22 CO 0.01 0.56 0.13 1.25 0.00 0.00 0.00 178.83 180.78 1huw h LEU 23 N 0.55 0.58 -0.87 -2.39 5.85 -0.94 -0.81 115.31 117.28 1huw h LEU 23 Ca 0.15 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1huw h LEU 23 Cb 0.15 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1huw h LEU 23 CO -0.02 0.62 0.10 0.00 -0.34 0.00 0.00 178.44 178.81 1huw h ALA 24 N 0.98 1.07 -0.02 1.25 0.00 -0.65 -2.39 119.26 119.50 1huw h ALA 24 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1huw h ALA 24 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1huw h ALA 24 CO -0.00 0.60 -0.07 0.35 0.00 0.00 0.00 179.25 180.13 1huw h PHE 25 N 0.89 0.11 -0.28 0.00 3.57 -0.77 -2.37 116.94 118.09 1huw h PHE 25 Ca 0.18 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1huw h PHE 25 Cb 0.38 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1huw h PHE 25 CO 0.02 0.71 -0.24 -0.44 -2.23 0.00 0.00 178.31 176.14 1huw h ASP 26 N -0.53 0.53 0.87 0.41 3.32 -1.18 -0.73 116.42 119.11 1huw h ASP 26 Ca -0.00 -0.18 -0.20 0.00 0.02 0.00 0.00 57.03 56.67 1huw h ASP 26 Cb 0.72 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1huw h ASP 26 CO 0.02 0.77 -0.93 0.71 -1.72 0.00 0.00 179.24 178.08 1huw h THR 27 N 0.47 1.64 -0.41 0.35 1.35 -1.49 -1.83 112.91 112.99 1huw h THR 27 Ca 0.07 -3.09 -0.01 0.00 -0.55 0.00 0.00 66.41 62.82 1huw h THR 27 Cb 0.67 2.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.75 1huw h THR 27 CO 0.05 0.89 0.20 0.22 -0.25 0.00 0.00 175.52 176.63 1huw h TYR 28 N 0.01 0.58 -0.35 4.73 3.20 -1.29 -2.08 116.97 121.77 1huw h TYR 28 Ca -0.02 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 1huw h TYR 28 Cb 1.63 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 1huw h TYR 28 CO 0.01 0.47 -0.34 1.96 -1.64 0.00 0.00 178.16 178.62 1huw h GLN 29 N 0.52 0.80 -0.52 1.82 1.08 -1.00 -1.90 115.11 115.91 1huw h GLN 29 Ca 0.14 -0.39 -0.08 0.00 -1.45 0.00 0.00 58.65 56.88 1huw h GLN 29 Cb 0.10 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1huw h GLN 29 CO -0.02 1.02 0.03 1.49 -0.95 0.00 0.00 178.83 180.40 1huw h GLU 30 N 0.67 0.90 0.02 1.46 4.81 -1.34 -0.51 114.58 120.59 1huw h GLU 30 Ca 0.07 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1huw h GLU 30 Cb 0.89 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1huw h GLU 30 CO 0.08 0.91 -0.01 0.35 -0.73 0.00 0.00 179.01 179.62 1huw h PHE 31 N 0.78 -0.02 -0.34 0.92 3.57 -1.38 0.11 116.94 120.58 1huw h PHE 31 Ca 0.15 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1huw h PHE 31 Cb 0.49 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1huw h PHE 31 CO 0.04 0.12 0.20 1.49 -2.23 0.00 0.00 178.31 177.92 1huw h GLU 32 N -0.16 0.40 -0.14 1.11 4.81 -1.29 0.10 114.58 119.40 1huw h GLU 32 Ca -0.00 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1huw h GLU 32 Cb 0.15 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1huw h GLU 32 CO 0.00 0.26 -0.64 1.49 -0.73 0.00 0.00 179.01 179.39 1huw h GLU 33 N 0.41 0.54 -0.15 1.92 4.81 -0.95 -1.72 114.58 119.43 1huw h GLU 33 Ca 0.13 -0.39 -0.21 0.00 -0.13 0.00 0.00 59.36 58.77 1huw h GLU 33 Cb -0.00 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1huw h GLU 33 CO -0.06 1.00 -0.73 0.00 -0.73 0.00 0.00 179.01 178.50 1huw h ALA 34 N 0.90 0.29 0.00 2.92 0.00 -0.63 -3.42 119.26 119.32 1huw h ALA 34 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1huw h ALA 34 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1huw h ALA 34 CO 0.12 0.63 -0.98 0.66 0.00 0.00 0.00 179.25 179.67 1huw n TYR 35 N -3.99 0.00 -3.42 0.00 4.01 0.01 -5.02 117.16 108.75 1huw n TYR 35 Ca -0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.28 1huw n TYR 35 Cb 0.72 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.67 1huw n TYR 35 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1huw s ILE 36 N -1.97 5.20 0.39 -0.72 -1.09 -0.65 -5.04 121.20 117.32 1huw s ILE 36 Ca 0.00 0.59 -0.25 0.00 -2.23 0.00 0.00 60.65 58.76 1huw s ILE 36 Cb 0.00 -3.69 -0.09 0.00 -1.58 0.00 0.00 42.46 37.10 1huw s ILE 36 CO 0.00 0.22 1.12 -2.16 -1.23 0.00 0.00 174.94 172.89 1huw s PRO 37 N 1.62 4.14 0.43 2.79 0.04 -1.26 -4.78 135.00 137.97 1huw s PRO 37 Ca 0.16 1.72 0.27 0.00 0.04 0.00 0.00 61.00 63.19 1huw s PRO 37 Cb -0.15 -2.67 1.35 0.00 0.04 0.00 0.00 34.50 33.07 1huw s PRO 37 CO 0.08 -0.22 1.66 -0.22 0.04 0.00 0.00 177.00 178.35 1huw h LYS 38 N 2.68 0.15 -0.21 4.56 3.64 -1.97 0.32 116.57 125.76 1huw h LYS 38 Ca -0.48 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1huw h LYS 38 Cb 1.23 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1huw h LYS 38 CO 0.63 0.10 -0.05 0.93 -2.27 0.00 0.00 179.45 178.79 1huw h GLU 39 N 0.16 -0.00 0.00 1.90 3.07 -2.01 -2.63 114.58 115.06 1huw h GLU 39 Ca 0.76 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.62 1huw h GLU 39 Cb 2.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.21 1huw h GLU 39 CO -0.38 -0.00 0.00 1.96 -1.40 0.00 0.00 179.01 179.19 1huw h GLN 40 N -0.00 0.00 -0.16 2.33 4.20 -0.71 -3.14 115.11 117.63 1huw h GLN 40 Ca 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1huw h GLN 40 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1huw h GLN 40 CO -0.21 0.00 -0.09 0.82 -0.67 0.00 0.00 178.83 178.67 1huw h ILE 41 N 0.00 1.32 -0.17 2.54 2.04 -1.21 -2.58 117.51 119.45 1huw h ILE 41 Ca 0.00 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 1huw h ILE 41 Cb 0.85 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1huw h ILE 41 CO 0.00 0.35 -0.45 0.45 0.00 0.00 0.00 178.15 178.49 1huw h HIS 42 N 0.00 0.52 -0.07 1.37 3.86 -1.51 -2.05 115.15 117.28 1huw h HIS 42 Ca 0.03 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1huw h HIS 42 Cb 0.58 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1huw h HIS 42 CO 0.07 0.81 0.04 1.03 0.86 0.00 0.00 177.93 180.74 1huw h SER 43 N 0.35 0.09 -0.15 2.45 0.87 -1.58 -2.67 113.55 112.91 1huw h SER 43 Ca 0.02 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1huw h SER 43 Cb 0.94 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1huw h SER 43 CO 0.08 0.16 -0.36 0.15 -0.53 0.00 0.00 176.83 176.33 1huw h PHE 44 N 0.01 0.78 -0.69 2.24 3.04 -1.43 -1.70 116.94 119.19 1huw h PHE 44 Ca 0.02 -0.22 0.11 0.00 3.98 0.00 0.00 57.97 61.87 1huw h PHE 44 Cb 0.09 -0.17 -0.08 0.00 2.56 0.00 0.00 35.95 38.34 1huw h PHE 44 CO -0.04 0.93 0.27 2.35 -2.02 0.00 0.00 178.31 179.80 1huw h TRP 45 N 0.55 0.48 0.00 0.41 2.91 -1.25 -0.99 115.95 118.06 1huw h TRP 45 Ca 0.05 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1huw h TRP 45 Cb 0.88 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 1huw h TRP 45 CO 0.04 0.10 -0.39 -1.49 -1.03 0.00 0.00 178.44 175.67 1huw h TRP 46 N 0.45 0.00 -2.34 2.65 4.06 -1.19 -3.38 115.95 116.20 1huw h TRP 46 Ca 0.36 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.75 1huw h TRP 46 Cb 0.48 0.00 -0.37 0.00 -1.00 0.00 0.00 29.16 28.27 1huw h TRP 46 CO -0.16 0.00 -0.92 -0.80 -3.56 0.00 0.00 178.44 172.99 1huw s ASN 47 N -5.00 1.60 0.38 -3.49 0.01 -0.67 -5.11 114.94 102.66 1huw s ASN 47 Ca 0.06 -2.78 -0.28 0.00 -0.71 0.00 0.00 52.86 49.15 1huw s ASN 47 Cb 0.10 -0.30 -0.11 0.00 0.41 0.00 0.00 41.25 41.36 1huw s ASN 47 CO 0.69 -0.20 1.50 -2.16 -1.51 0.00 0.00 177.10 175.42 1huw s PRO 48 N 0.35 4.07 -1.17 -0.60 0.04 -0.44 -4.51 135.00 132.73 1huw s PRO 48 Ca 0.29 2.59 -0.08 0.00 0.04 0.00 0.00 61.00 63.84 1huw s PRO 48 Cb -0.02 -2.94 0.24 0.00 0.04 0.00 0.00 34.50 31.81 1huw s PRO 48 CO -0.14 -0.57 1.48 0.00 0.04 0.00 0.00 177.00 177.80 1huw n GLN 49 N 0.40 3.82 0.00 4.56 10.64 -1.26 -4.73 117.38 130.81 1huw n GLN 49 Ca 0.01 -4.14 0.10 0.00 -1.83 0.00 0.00 57.00 51.14 1huw n GLN 49 Cb 0.39 -2.73 0.47 0.00 -0.86 0.00 0.00 30.24 27.51 1huw n GLN 49 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1huw n THR 50 N 2.80 0.52 -0.06 -0.39 -1.04 -1.26 -1.96 114.28 112.89 1huw n THR 50 Ca 0.31 0.13 -0.03 0.00 -2.04 0.00 0.00 64.05 62.42 1huw n THR 50 Cb 0.37 -0.78 0.21 0.00 -1.82 0.00 0.00 70.33 68.31 1huw n THR 50 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1huw h SER 51 N 0.00 0.65 0.26 8.00 0.02 -1.99 -2.01 113.55 118.48 1huw h SER 51 Ca 0.00 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1huw h SER 51 Cb 0.30 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1huw h SER 51 CO 0.00 0.72 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.13 1huw h LEU 52 N 0.64 0.00 -9.26 5.07 3.38 -1.76 -3.43 115.31 109.95 1huw h LEU 52 Ca 0.13 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.55 1huw h LEU 52 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1huw h LEU 52 CO 0.02 0.21 1.08 0.00 0.09 0.00 0.00 178.44 179.84 1huw h PRO 54 N 9.52 0.00 -0.04 0.00 0.11 -1.86 -3.13 132.00 136.60 1huw h PRO 54 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1huw h PRO 54 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1huw h PRO 54 CO 0.95 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 1huw n SER 55 N -3.64 2.13 -0.33 -2.05 3.41 -1.26 -4.60 113.62 107.27 1huw n SER 55 Ca -0.02 -1.71 0.16 0.00 -0.26 0.00 0.00 58.87 57.04 1huw n SER 55 Cb 0.20 -0.01 0.32 0.00 -0.26 0.00 0.00 64.21 64.46 1huw n SER 55 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1huw n GLU 56 N 0.67 -0.07 0.21 4.33 2.13 -1.18 -1.60 120.64 125.12 1huw n GLU 56 Ca 0.17 1.42 0.06 0.00 0.66 0.00 0.00 57.16 59.48 1huw n GLU 56 Cb 0.45 -2.30 0.48 0.00 0.27 0.00 0.00 31.44 30.35 1huw n GLU 56 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1huw h SER 57 N 0.00 0.00 -3.06 4.31 4.64 -1.88 -3.44 113.55 114.12 1huw h SER 57 Ca 0.61 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.36 1huw h SER 57 Cb 1.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 1huw h SER 57 CO -0.88 0.27 0.77 -0.63 -0.87 0.00 0.00 176.83 175.49 1huw s ILE 58 N -4.15 4.50 -0.19 0.95 1.01 -0.63 -5.00 121.20 117.69 1huw s ILE 58 Ca -0.02 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.13 1huw s ILE 58 Cb 0.14 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1huw s ILE 58 CO 0.67 -0.10 1.25 -2.16 0.00 0.00 0.00 174.94 174.60 1huw s PRO 59 N 2.91 4.18 0.22 2.79 0.04 -1.26 -5.04 135.00 138.84 1huw s PRO 59 Ca 0.50 1.57 0.11 0.00 0.04 0.00 0.00 61.00 63.22 1huw s PRO 59 Cb -0.19 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1huw s PRO 59 CO 0.14 -0.77 -0.17 0.95 0.04 0.00 0.00 177.00 177.19 1huw s THR 60 N 3.62 2.70 0.08 1.26 -4.23 -1.26 -5.01 115.64 112.80 1huw s THR 60 Ca 0.54 -2.02 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 1huw s THR 60 Cb -0.20 -2.35 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 1huw s THR 60 CO 0.15 -0.21 1.81 -2.16 -0.54 0.00 0.00 174.62 173.68 1huw s PRO 61 N -3.01 4.15 0.25 3.99 0.04 -1.26 -4.94 135.00 134.22 1huw s PRO 61 Ca 0.25 2.52 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1huw s PRO 61 Cb -0.07 -3.75 0.31 0.00 0.04 0.00 0.00 34.50 31.03 1huw s PRO 61 CO 0.13 -0.85 1.72 0.66 0.04 0.00 0.00 177.00 178.71 1huw h SER 62 N 9.06 0.72 -4.53 6.66 4.64 -1.99 -3.46 113.55 124.65 1huw h SER 62 Ca -0.46 -0.20 -0.34 0.00 -0.47 0.00 0.00 61.79 60.32 1huw h SER 62 Cb 1.22 -0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 62.97 1huw h SER 62 CO 0.94 0.85 -0.62 0.54 -0.87 0.00 0.00 176.83 177.67 1huw s ASN 63 N -6.70 1.16 0.49 4.97 2.20 -1.26 -5.03 114.94 110.76 1huw s ASN 63 Ca -0.09 -1.37 0.19 0.00 -0.94 0.00 0.00 52.86 50.65 1huw s ASN 63 Cb 0.14 0.17 1.22 0.00 -2.00 0.00 0.00 41.25 40.77 1huw s ASN 63 CO 0.81 -0.72 2.05 0.11 -2.94 0.00 0.00 177.10 176.41 1huw h LYS 64 N 2.41 0.00 0.00 3.55 1.79 -1.99 -1.97 116.57 120.36 1huw h LYS 64 Ca -0.38 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.00 1huw h LYS 64 Cb 1.24 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1huw h LYS 64 CO 0.61 0.13 -0.43 1.05 -1.08 0.00 0.00 179.45 179.73 1huw h GLU 65 N 0.00 0.00 0.00 3.15 4.11 -1.99 -0.66 114.58 119.19 1huw h GLU 65 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1huw h GLU 65 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1huw h GLU 65 CO 0.02 0.43 -0.52 1.49 0.07 0.00 0.00 179.01 180.50 1huw h GLU 66 N 0.00 0.00 0.03 1.06 4.81 -1.77 -3.05 114.58 115.66 1huw h GLU 66 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1huw h GLU 66 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1huw h GLU 66 CO 0.06 0.52 -0.02 1.15 -0.73 0.00 0.00 179.01 179.99 1huw h THR 67 N 0.00 1.18 -0.17 0.32 2.02 -1.20 -3.23 112.91 111.84 1huw h THR 67 Ca -0.01 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.54 1huw h THR 67 Cb 1.15 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1huw h THR 67 CO 0.07 0.17 0.14 1.56 0.37 0.00 0.00 175.52 177.84 1huw h GLN 68 N -0.34 0.00 0.00 6.66 4.20 -1.09 -1.79 115.11 122.76 1huw h GLN 68 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1huw h GLN 68 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1huw h GLN 68 CO 0.01 0.00 -0.05 1.96 -0.67 0.00 0.00 178.83 180.08 1huw h GLN 69 N 0.00 0.00 -6.75 1.46 4.20 -1.55 -3.45 115.11 109.02 1huw h GLN 69 Ca 0.08 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.30 1huw h GLN 69 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1huw h GLN 69 CO -0.00 0.05 0.35 0.15 -0.67 0.00 0.00 178.83 178.71 1huw s LYS 70 N -3.51 4.84 0.81 1.46 -0.14 -0.67 -5.05 119.74 117.48 1huw s LYS 70 Ca 0.03 1.47 -0.11 0.00 -1.36 0.00 0.00 55.97 56.00 1huw s LYS 70 Cb 0.08 -3.25 0.08 0.00 -1.68 0.00 0.00 37.83 33.05 1huw s LYS 70 CO 0.60 0.51 1.09 -1.54 -0.76 0.00 0.00 175.35 175.25 1huw s SER 71 N -1.20 4.36 0.22 2.83 1.04 -1.26 -4.81 113.70 114.87 1huw s SER 71 Ca 0.41 1.36 -0.08 0.00 0.48 0.00 0.00 55.95 58.12 1huw s SER 71 Cb -0.26 -2.08 0.27 0.00 0.10 0.00 0.00 66.02 64.05 1huw s SER 71 CO 0.31 -2.06 1.83 0.78 0.98 0.00 0.00 173.24 175.08 1huw h ASN 72 N -1.15 0.68 0.29 7.02 2.35 -1.97 -0.96 115.58 121.84 1huw h ASN 72 Ca -0.47 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.22 1huw h ASN 72 Cb 1.27 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1huw h ASN 72 CO 0.58 0.44 -0.35 0.25 -1.65 0.00 0.00 177.43 176.71 1huw h LEU 73 N 0.81 0.08 -0.10 1.61 5.85 -1.93 -1.20 115.31 120.43 1huw h LEU 73 Ca 0.32 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1huw h LEU 73 Cb 0.15 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1huw h LEU 73 CO -0.17 0.43 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.84 1huw h GLU 74 N 0.07 0.31 -0.03 1.25 5.08 -1.87 -1.48 114.58 117.91 1huw h GLU 74 Ca 0.01 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1huw h GLU 74 Cb 0.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1huw h GLU 74 CO 0.05 0.79 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.64 1huw h LEU 75 N -0.13 0.04 -0.20 1.33 3.38 -0.86 -1.71 115.31 117.16 1huw h LEU 75 Ca 0.01 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1huw h LEU 75 Cb 0.77 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1huw h LEU 75 CO 0.04 0.18 -0.81 -0.07 0.09 0.00 0.00 178.44 177.87 1huw h LEU 76 N 0.04 0.81 -0.24 1.67 3.38 -1.21 -1.68 115.31 118.08 1huw h LEU 76 Ca 0.01 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1huw h LEU 76 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1huw h LEU 76 CO 0.02 1.34 -0.00 -0.09 0.09 0.00 0.00 178.44 179.80 1huw h ARG 77 N 0.44 0.43 -0.04 1.13 2.43 -0.94 -0.89 114.38 116.94 1huw h ARG 77 Ca -0.06 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1huw h ARG 77 Cb 1.43 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1huw h ARG 77 CO 0.16 0.61 0.03 0.82 -1.51 0.00 0.00 179.97 180.08 1huw h ILE 78 N 0.21 1.02 -0.89 1.20 2.04 -1.34 -2.25 117.51 117.49 1huw h ILE 78 Ca 0.07 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1huw h ILE 78 Cb 0.42 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 1huw h ILE 78 CO 0.01 0.02 0.54 0.28 0.00 0.00 0.00 178.15 179.01 1huw h SER 79 N 0.04 0.81 -0.67 1.72 0.02 -1.28 -1.94 113.55 112.25 1huw h SER 79 Ca 0.02 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1huw h SER 79 Cb 0.01 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1huw h SER 79 CO -0.00 0.48 0.21 0.25 -1.14 0.00 0.00 176.83 176.63 1huw h LEU 80 N 0.93 0.98 -0.90 5.07 5.85 -0.84 -1.57 115.31 124.82 1huw h LEU 80 Ca 0.42 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1huw h LEU 80 Cb 0.32 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1huw h LEU 80 CO -0.22 0.93 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.45 1huw h LEU 81 N 0.98 0.48 -0.35 2.25 3.38 -1.09 0.79 115.31 121.74 1huw h LEU 81 Ca 0.22 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1huw h LEU 81 Cb 0.30 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1huw h LEU 81 CO -0.01 0.75 -0.60 -0.07 0.09 0.00 0.00 178.44 178.60 1huw h LEU 82 N 0.41 0.82 -0.47 1.67 3.38 -0.93 -1.89 115.31 118.29 1huw h LEU 82 Ca 0.06 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1huw h LEU 82 Cb 0.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1huw h LEU 82 CO 0.05 1.23 -0.19 0.40 0.09 0.00 0.00 178.44 180.03 1huw h ILE 83 N 0.54 1.27 -0.00 1.22 1.08 -1.10 -3.17 117.51 117.35 1huw h ILE 83 Ca -0.00 -1.34 -0.07 0.00 -0.39 0.00 0.00 64.86 63.06 1huw h ILE 83 Cb 1.19 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1huw h ILE 83 CO 0.12 0.46 -0.33 1.56 -0.69 0.00 0.00 178.15 179.27 1huw h GLN 84 N 0.81 0.01 0.00 2.37 4.20 -0.77 -1.89 115.11 119.83 1huw h GLN 84 Ca 0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1huw h GLN 84 Cb 0.76 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1huw h GLN 84 CO 0.06 0.34 0.00 -1.13 -0.67 0.00 0.00 178.83 177.43 1huw n SER 85 N -4.15 0.39 0.00 1.46 3.41 -0.72 -3.10 113.62 110.91 1huw n SER 85 Ca -0.02 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1huw n SER 85 Cb 0.37 -0.66 0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1huw n SER 85 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1huw n TRP 86 N -1.89 0.01 -0.36 7.33 7.02 -0.72 -4.48 117.44 124.35 1huw n TRP 86 Ca 0.05 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.54 1huw n TRP 86 Cb 0.31 -0.14 0.15 0.00 -2.42 0.00 0.00 31.31 29.21 1huw n TRP 86 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1huw h LEU 87 N 0.00 1.02 0.03 -0.99 3.38 -1.48 -1.80 115.31 115.47 1huw h LEU 87 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1huw h LEU 87 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1huw h LEU 87 CO 0.00 0.68 -1.04 -0.33 0.09 0.00 0.00 178.44 177.84 1huw h GLU 88 N 1.18 0.07 -0.95 1.13 4.39 -1.82 -3.39 114.58 115.18 1huw h GLU 88 Ca 0.40 -0.12 0.29 0.00 0.34 0.00 0.00 59.36 60.28 1huw h GLU 88 Cb 0.08 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 28.62 1huw h GLU 88 CO -0.15 1.06 0.37 -1.35 -1.16 0.00 0.00 179.01 177.78 1huw h PRO 89 N -0.79 0.20 0.00 2.33 0.11 -1.77 -3.04 132.00 129.03 1huw h PRO 89 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1huw h PRO 89 Cb 1.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1huw h PRO 89 CO -0.09 0.13 0.00 -0.24 -0.21 0.00 0.00 178.00 177.59 1huw h VAL 90 N 0.20 0.00 -0.13 3.15 3.04 -1.53 -2.02 116.25 118.97 1huw h VAL 90 Ca 0.66 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 66.25 1huw h VAL 90 Cb 1.47 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 1huw h VAL 90 CO -0.68 0.00 0.03 1.56 -1.01 0.00 0.00 177.57 177.47 1huw h GLN 91 N 0.00 0.18 0.00 4.17 1.08 -1.80 -0.93 115.11 117.81 1huw h GLN 91 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1huw h GLN 91 Cb 0.10 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1huw h GLN 91 CO 0.00 0.18 0.00 0.74 -0.95 0.00 0.00 178.83 178.80 1huw h PHE 92 N 0.18 0.00 -0.07 2.96 0.04 -1.61 -2.31 116.94 116.13 1huw h PHE 92 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1huw h PHE 92 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1huw h PHE 92 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1huw n LEU 93 N -2.78 2.19 -0.24 1.54 4.77 -0.35 -4.41 117.00 117.71 1huw n LEU 93 Ca -0.01 -0.77 0.05 0.00 -0.03 0.00 0.00 56.01 55.25 1huw n LEU 93 Cb 0.16 -0.03 0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1huw n LEU 93 CO 0.20 0.39 0.89 -0.09 -1.33 0.00 0.00 177.39 177.45 1huw h ARG 94 N 3.31 0.20 -0.04 3.23 1.12 -1.49 -2.33 114.38 118.38 1huw h ARG 94 Ca 0.00 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 1huw h ARG 94 Cb 0.71 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1huw h ARG 94 CO 0.00 0.13 -0.43 0.77 -3.11 0.00 0.00 179.97 177.34 1huw h SER 95 N 0.20 0.09 0.22 -3.80 0.02 -1.83 -0.87 113.55 107.58 1huw h SER 95 Ca 0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1huw h SER 95 Cb 0.68 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1huw h SER 95 CO -0.54 0.51 -0.19 0.58 -1.14 0.00 0.00 176.83 176.05 1huw h VAL 96 N 0.08 0.59 -0.29 2.27 2.07 -1.72 -1.63 116.25 117.62 1huw h VAL 96 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 1huw h VAL 96 Cb 0.79 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1huw h VAL 96 CO 0.06 0.00 -0.35 -0.26 0.02 0.00 0.00 177.57 177.04 1huw h PHE 97 N -0.42 0.75 -0.16 1.57 0.04 -1.34 -1.45 116.94 115.93 1huw h PHE 97 Ca -0.01 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.51 1huw h PHE 97 Cb 0.39 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1huw h PHE 97 CO -0.13 0.90 -0.14 0.00 -0.60 0.00 0.00 178.31 178.34 1huw h ALA 98 N 1.08 1.48 0.00 2.45 0.00 -1.10 -2.32 119.26 120.85 1huw h ALA 98 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1huw h ALA 98 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1huw h ALA 98 CO 0.07 0.37 -0.39 0.09 0.00 0.00 0.00 179.25 179.39 1huw n ASN 99 N -4.26 0.51 -4.77 0.00 3.02 -0.62 -4.76 115.26 104.39 1huw n ASN 99 Ca -0.01 0.12 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 1huw n ASN 99 Cb 0.28 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1huw n ASN 99 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1huw s SER 100 N -3.60 6.56 0.00 6.41 0.15 -0.59 -4.94 113.70 117.69 1huw s SER 100 Ca 0.10 2.47 0.26 0.00 0.70 0.00 0.00 55.95 59.48 1huw s SER 100 Cb 0.16 -2.63 0.76 0.00 -1.71 0.00 0.00 66.02 62.60 1huw s SER 100 CO 0.66 -0.66 1.58 0.18 1.20 0.00 0.00 173.24 176.20 1huw n LEU 101 N 0.29 2.01 -4.72 3.45 4.77 -1.26 -4.45 117.00 117.08 1huw n LEU 101 Ca 0.03 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 1huw n LEU 101 Cb 0.45 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1huw n LEU 101 CO 0.54 0.36 0.96 -0.69 -1.33 0.00 0.00 177.39 177.22 1huw s VAL 102 N -1.93 3.58 -0.10 4.08 1.01 -1.26 -4.89 120.40 120.89 1huw s VAL 102 Ca 0.35 1.18 -0.37 0.00 0.00 0.00 0.00 61.98 63.14 1huw s VAL 102 Cb 0.20 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 1huw s VAL 102 CO 0.31 0.12 1.69 0.00 0.00 0.00 0.00 175.10 177.23 1huw n TYR 103 N 3.51 2.07 -0.55 5.22 9.36 -1.26 -1.35 117.16 134.16 1huw n TYR 103 Ca 0.09 0.35 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1huw n TYR 103 Cb 0.44 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1huw n TYR 103 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1huw n GLY 104 N 3.86 1.53 0.10 2.98 0.00 -1.26 -4.92 105.19 107.48 1huw n GLY 104 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1huw n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huw h ALA 105 N 0.00 0.09 0.00 4.61 0.00 -1.51 -3.15 119.26 119.30 1huw h ALA 105 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1huw h ALA 105 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1huw h ALA 105 CO 0.00 0.04 -0.35 0.66 0.00 0.00 0.00 179.25 179.60 1huw h SER 106 N -0.33 0.00 -0.33 0.00 4.64 -1.62 -2.74 113.55 113.16 1huw h SER 106 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1huw h SER 106 Cb 0.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1huw h SER 106 CO 0.04 0.35 0.00 -0.90 -0.87 0.00 0.00 176.83 175.45 1huw n ASP 107 N -3.95 4.28 -4.76 4.97 5.68 -1.26 -4.58 116.55 116.94 1huw n ASP 107 Ca -0.02 -3.02 -0.39 0.00 -0.50 0.00 0.00 54.79 50.87 1huw n ASP 107 Cb 0.40 -0.58 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 1huw n ASP 107 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1huw s SER 108 N -1.70 7.04 -0.57 -1.12 0.01 -1.04 -5.03 113.70 111.30 1huw s SER 108 Ca 0.45 1.24 -0.17 0.00 1.31 0.00 0.00 55.95 58.78 1huw s SER 108 Cb 0.36 -2.39 0.12 0.00 0.21 0.00 0.00 66.02 64.32 1huw s SER 108 CO 0.10 0.07 0.58 0.21 0.41 0.00 0.00 173.24 174.61 1huw s ASN 109 N -0.13 6.21 0.48 2.44 3.84 -1.26 -4.90 114.94 121.62 1huw s ASN 109 Ca 0.33 -1.71 0.27 0.00 0.21 0.00 0.00 52.86 51.97 1huw s ASN 109 Cb -0.19 -2.24 0.86 0.00 -0.55 0.00 0.00 41.25 39.13 1huw s ASN 109 CO 0.19 -0.93 1.80 0.58 -2.79 0.00 0.00 177.10 175.94 1huw h VAL 110 N 5.86 0.12 -0.72 -5.21 2.07 -1.95 -2.83 116.25 113.59 1huw h VAL 110 Ca -0.28 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1huw h VAL 110 Cb 1.09 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1huw h VAL 110 CO 1.05 0.06 0.22 0.22 0.02 0.00 0.00 177.57 179.14 1huw h TYR 111 N 0.00 1.16 -0.44 1.57 3.20 -1.92 -2.66 116.97 117.88 1huw h TYR 111 Ca -0.00 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.66 1huw h TYR 111 Cb 0.77 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1huw h TYR 111 CO 0.00 0.92 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.89 1huw h ASP 112 N 1.06 0.77 -0.42 -2.11 3.32 -1.93 -1.96 116.42 115.16 1huw h ASP 112 Ca 0.23 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1huw h ASP 112 Cb 0.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1huw h ASP 112 CO -0.01 0.90 0.06 -0.07 -1.72 0.00 0.00 179.24 178.41 1huw h LEU 113 N 0.71 0.73 -0.30 1.55 3.38 -1.30 -1.28 115.31 118.79 1huw h LEU 113 Ca 0.12 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1huw h LEU 113 Cb 0.59 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1huw h LEU 113 CO 0.04 0.76 -0.81 -0.07 0.09 0.00 0.00 178.44 178.45 1huw h LEU 114 N 0.74 0.55 -0.84 1.67 3.38 -1.29 -2.73 115.31 116.78 1huw h LEU 114 Ca 0.16 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1huw h LEU 114 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1huw h LEU 114 CO 0.01 1.15 -0.17 0.11 0.09 0.00 0.00 178.44 179.63 1huw h LYS 115 N 0.29 0.68 -0.67 1.13 1.79 -1.06 -0.23 116.57 118.49 1huw h LYS 115 Ca -0.05 -0.24 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 1huw h LYS 115 Cb 1.41 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.98 1huw h LYS 115 CO 0.14 0.81 0.20 0.22 -1.08 0.00 0.00 179.45 179.74 1huw h ASP 116 N 0.61 0.96 -0.11 0.86 3.58 -1.26 -2.21 116.42 118.84 1huw h ASP 116 Ca 0.10 -0.18 -0.22 0.00 0.42 0.00 0.00 57.03 57.15 1huw h ASP 116 Cb 0.63 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.44 1huw h ASP 116 CO 0.04 0.90 -0.79 0.25 -2.88 0.00 0.00 179.24 176.77 1huw h LEU 117 N 0.99 0.89 -0.86 2.28 5.85 -1.13 -1.38 115.31 121.96 1huw h LEU 117 Ca 0.22 -0.66 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1huw h LEU 117 Cb 0.30 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1huw h LEU 117 CO -0.01 1.41 0.53 -0.08 -0.34 0.00 0.00 178.44 179.95 1huw h GLU 118 N 0.44 0.94 -0.25 1.25 4.81 -1.00 -0.21 114.58 120.57 1huw h GLU 118 Ca -0.07 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 1huw h GLU 118 Cb 1.43 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1huw h GLU 118 CO 0.16 0.62 -0.42 1.49 -0.73 0.00 0.00 179.01 180.14 1huw h GLU 119 N 0.97 0.59 -0.43 1.92 4.81 -1.31 -2.09 114.58 119.03 1huw h GLU 119 Ca 0.38 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1huw h GLU 119 Cb 0.18 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1huw h GLU 119 CO -0.18 0.90 0.28 0.78 -0.73 0.00 0.00 179.01 180.06 1huw h GLY 120 N 1.03 0.60 1.12 1.92 0.00 -0.05 -1.83 103.07 105.87 1huw h GLY 120 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1huw h GLY 120 CO 0.08 0.20 -0.12 -2.22 0.00 0.00 0.00 176.54 174.49 1huw h ILE 121 N 0.56 1.27 -0.66 2.60 2.04 -0.96 -2.45 117.51 119.91 1huw h ILE 121 Ca 0.16 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.67 1huw h ILE 121 Cb -0.04 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1huw h ILE 121 CO -0.05 0.45 0.11 1.56 0.00 0.00 0.00 178.15 180.22 1huw h GLN 122 N 0.91 1.08 -0.52 2.37 4.20 -1.17 -1.37 115.11 120.61 1huw h GLN 122 Ca 0.14 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1huw h GLN 122 Cb 0.69 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1huw h GLN 122 CO 0.05 0.98 0.25 1.15 -0.67 0.00 0.00 178.83 180.59 1huw h THR 123 N 1.01 1.20 -0.83 -0.54 2.02 -1.29 -2.10 112.91 112.38 1huw h THR 123 Ca 0.20 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1huw h THR 123 Cb 0.43 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1huw h THR 123 CO 0.01 0.22 0.39 -0.07 0.37 0.00 0.00 175.52 176.44 1huw h LEU 124 N 0.69 1.09 -0.69 2.58 3.38 -1.14 -2.98 115.31 118.24 1huw h LEU 124 Ca 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1huw h LEU 124 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1huw h LEU 124 CO -0.02 0.92 0.35 0.24 0.09 0.00 0.00 178.44 180.02 1huw h MET 125 N 1.18 0.98 -0.25 1.13 2.86 -1.10 -2.87 114.93 116.87 1huw h MET 125 Ca 0.28 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1huw h MET 125 Cb 0.13 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1huw h MET 125 CO -0.03 0.76 0.16 0.78 1.06 0.00 0.00 176.91 179.64 1huw h GLY 126 N 0.95 0.35 2.00 8.32 0.00 -1.24 0.05 103.07 113.50 1huw h GLY 126 Ca 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1huw h GLY 126 CO -0.03 0.13 -0.58 3.21 0.00 0.00 0.00 176.54 179.27 1huw h ARG 127 N 0.34 0.00 -0.02 4.80 2.47 -1.37 -3.30 114.38 117.30 1huw h ARG 127 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1huw h ARG 127 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1huw h ARG 127 CO -0.02 0.58 -0.12 1.28 0.56 0.00 0.00 179.97 182.25 1huw n LEU 128 N -3.70 2.57 0.00 3.04 4.77 -0.52 -5.14 117.00 118.02 1huw n LEU 128 Ca -0.01 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1huw n LEU 128 Cb 0.61 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1huw n LEU 128 CO 0.41 0.44 0.00 -0.62 -1.33 0.00 0.00 177.39 176.29 1huw n GLU 129 N 0.86 0.00 0.27 3.23 1.02 -0.11 -4.98 120.64 120.93 1huw n GLU 129 Ca 0.13 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1huw n GLU 129 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 1huw n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1huw h ALA 155 N -1.56 -0.77 -0.27 0.62 0.00 -2.05 -3.51 119.26 111.72 1huw h ALA 155 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1huw h ALA 155 Cb 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1huw h ALA 155 CO 0.00 -0.72 -0.05 -0.07 0.00 0.00 0.00 179.25 178.42 1huw h LEU 156 N -1.16 -0.21 -0.31 0.00 4.07 -2.00 -0.61 115.31 115.09 1huw h LEU 156 Ca -0.08 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1huw h LEU 156 Cb 0.57 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1huw h LEU 156 CO 0.13 -0.07 0.00 0.25 -1.08 0.00 0.00 178.44 177.67 1huw h LEU 157 N 0.02 0.00 0.15 1.67 5.85 -1.99 -0.33 115.31 120.69 1huw h LEU 157 Ca 0.13 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.55 1huw h LEU 157 Cb 0.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1huw h LEU 157 CO -0.26 0.00 -1.38 0.50 -0.34 0.00 0.00 178.44 176.96 1huw h LYS 158 N 0.00 0.32 -0.39 1.25 1.63 -1.87 -2.58 116.57 114.93 1huw h LYS 158 Ca 0.00 -0.55 -0.15 0.00 -0.85 0.00 0.00 60.65 59.10 1huw h LYS 158 Cb 0.77 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.60 1huw h LYS 158 CO 0.00 1.24 -0.34 -0.91 -3.45 0.00 0.00 179.45 175.99 1huw h ASN 159 N 0.09 0.94 -0.59 4.20 2.35 -0.73 -2.65 115.58 119.19 1huw h ASN 159 Ca -0.19 -0.41 -0.08 0.00 -0.55 0.00 0.00 56.30 55.07 1huw h ASN 159 Cb 2.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 40.11 1huw h ASN 159 CO 0.21 1.19 0.07 0.22 -1.65 0.00 0.00 177.43 177.46 1huw h TYR 160 N 0.74 1.07 -0.48 1.19 3.20 -1.12 -1.22 116.97 120.36 1huw h TYR 160 Ca 0.07 -0.16 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 1huw h TYR 160 Cb 0.91 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1huw h TYR 160 CO 0.06 0.94 -0.18 0.78 -1.64 0.00 0.00 178.16 178.11 1huw h GLY 161 N 0.90 1.04 1.56 1.82 0.00 -1.43 -0.92 103.07 106.04 1huw h GLY 161 Ca 0.18 -0.88 -0.20 0.00 0.00 0.00 0.00 47.33 46.43 1huw h GLY 161 CO 0.02 0.80 -0.80 -2.00 0.00 0.00 0.00 176.54 174.56 1huw h LEU 162 N 0.84 0.51 -0.78 3.11 5.85 -1.44 -2.28 115.31 121.12 1huw h LEU 162 Ca 0.12 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 1huw h LEU 162 Cb 0.74 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1huw h LEU 162 CO 0.06 1.12 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.86 1huw h LEU 163 N 0.27 0.53 -0.35 2.25 3.38 -1.18 0.07 115.31 120.28 1huw h LEU 163 Ca -0.05 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1huw h LEU 163 Cb 1.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1huw h LEU 163 CO 0.14 0.84 0.20 0.22 0.09 0.00 0.00 178.44 179.93 1huw h TYR 164 N 0.43 0.38 -0.25 1.13 3.20 -0.96 -1.58 116.97 119.32 1huw h TYR 164 Ca 0.05 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1huw h TYR 164 Cb 0.82 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1huw h TYR 164 CO 0.03 0.22 -0.35 0.00 -1.64 0.00 0.00 178.16 176.42 1huw h PHE 166 N 0.46 0.43 -0.79 0.00 3.57 -0.87 -1.14 116.94 118.60 1huw h PHE 166 Ca 0.05 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1huw h PHE 166 Cb 0.83 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1huw h PHE 166 CO 0.03 0.62 0.33 -0.97 -2.23 0.00 0.00 178.31 176.09 1huw h ASN 167 N 0.12 1.08 -0.53 0.41 -1.24 -1.18 -0.89 115.58 113.35 1huw h ASN 167 Ca 0.05 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 1huw h ASN 167 Cb 0.46 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1huw h ASN 167 CO 0.02 0.95 0.09 0.50 -1.29 0.00 0.00 177.43 177.69 1huw h LYS 168 N 1.14 0.88 -0.05 6.67 3.64 -0.97 -1.77 116.57 126.10 1huw h LYS 168 Ca 0.27 -0.23 -0.23 0.00 -1.27 0.00 0.00 60.65 59.18 1huw h LYS 168 Cb 0.19 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1huw h LYS 168 CO -0.02 0.85 -0.91 -0.44 -2.27 0.00 0.00 179.45 176.66 1huw h ASP 169 N 0.76 0.74 0.63 4.20 3.32 -1.10 -2.66 116.42 122.31 1huw h ASP 169 Ca 0.16 -0.55 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 1huw h ASP 169 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1huw h ASP 169 CO 0.01 1.34 -0.36 0.24 -1.72 0.00 0.00 179.24 178.75 1huw h MET 170 N 0.36 0.00 -0.40 3.56 2.86 -1.13 -1.94 114.93 118.24 1huw h MET 170 Ca -0.08 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1huw h MET 170 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.18 1huw h MET 170 CO 0.17 0.36 -0.04 1.03 1.06 0.00 0.00 176.91 179.49 1huw h SER 171 N 0.00 0.74 -0.26 1.22 0.87 -1.22 -2.46 113.55 112.44 1huw h SER 171 Ca -0.00 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1huw h SER 171 Cb 0.77 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1huw h SER 171 CO 0.05 0.89 0.08 0.11 -0.53 0.00 0.00 176.83 177.43 1huw h LYS 172 N 0.56 0.41 -0.62 2.24 1.57 -1.26 -2.00 116.57 117.47 1huw h LYS 172 Ca 0.11 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1huw h LYS 172 Cb 0.54 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1huw h LYS 172 CO 0.03 0.48 0.36 0.28 -0.57 0.00 0.00 179.45 180.03 1huw h VAL 173 N 0.26 1.19 -0.95 0.50 2.07 -1.37 0.18 116.25 118.11 1huw h VAL 173 Ca 0.08 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1huw h VAL 173 Cb 0.24 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1huw h VAL 173 CO -0.00 0.19 0.62 -1.28 0.02 0.00 0.00 177.57 177.13 1huw h SER 174 N 0.83 1.06 -0.17 0.57 0.87 -1.43 -0.31 113.55 114.97 1huw h SER 174 Ca 0.22 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 1huw h SER 174 Cb -0.00 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1huw h SER 174 CO -0.04 0.75 -0.62 0.74 -0.53 0.00 0.00 176.83 177.13 1huw h THR 175 N 1.24 1.29 -0.09 2.23 2.02 -0.34 -1.46 112.91 117.80 1huw h THR 175 Ca 0.36 -1.82 -0.11 0.00 0.77 0.00 0.00 66.41 65.61 1huw h THR 175 Cb -0.07 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1huw h THR 175 CO -0.10 0.58 -0.45 1.88 0.37 0.00 0.00 175.52 177.81 1huw h TYR 176 N 0.58 0.24 0.06 3.16 0.05 -0.43 -2.30 116.97 118.33 1huw h TYR 176 Ca -0.01 -0.07 -0.26 0.00 0.05 0.00 0.00 58.73 58.44 1huw h TYR 176 Cb 1.22 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1huw h TYR 176 CO 0.07 0.62 -1.29 -0.07 -1.05 0.00 0.00 178.16 176.44 1huw h LEU 177 N 0.17 0.20 -1.37 3.88 3.38 -1.05 -2.44 115.31 118.08 1huw h LEU 177 Ca 0.01 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1huw h LEU 177 Cb 0.86 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1huw h LEU 177 CO 0.07 1.20 -0.31 -0.09 0.09 0.00 0.00 178.44 179.39 1huw h ARG 178 N 0.03 0.00 0.09 1.13 9.65 -1.22 -0.73 114.38 123.33 1huw h ARG 178 Ca -0.14 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1huw h ARG 178 Cb 1.91 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.49 1huw h ARG 178 CO 0.15 0.31 -0.05 1.15 2.80 0.00 0.00 179.97 184.33 1huw h THR 179 N 0.00 1.14 -0.82 0.20 2.02 -1.37 -0.99 112.91 113.09 1huw h THR 179 Ca -0.00 -1.19 0.07 0.00 0.77 0.00 0.00 66.41 66.05 1huw h THR 179 Cb 0.59 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 1huw h THR 179 CO 0.04 0.28 0.49 0.58 0.37 0.00 0.00 175.52 177.28 1huw h VAL 180 N -0.71 0.99 -0.57 3.16 2.07 -1.45 -0.46 116.25 119.27 1huw h VAL 180 Ca -0.01 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1huw h VAL 180 Cb 0.55 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1huw h VAL 180 CO 0.02 0.16 0.23 -0.61 0.02 0.00 0.00 177.57 177.39 1huw h GLN 181 N 0.88 0.86 0.00 1.57 4.15 -1.15 0.63 115.11 122.05 1huw h GLN 181 Ca 0.37 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.56 1huw h GLN 181 Cb 0.23 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1huw h GLN 181 CO -0.20 0.74 -0.33 0.00 -1.93 0.00 0.00 178.83 177.11 1huw n ARG 183 N -3.68 0.30 0.00 0.00 1.74 -0.28 -2.57 116.66 112.17 1huw n ARG 183 Ca -0.01 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1huw n ARG 183 Cb 0.44 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1huw n ARG 183 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1huw n SER 184 N -2.05 0.00 0.11 0.55 7.64 0.16 -4.71 113.62 115.33 1huw n SER 184 Ca 0.02 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.98 1huw n SER 184 Cb 0.44 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.05 1huw n SER 184 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1huw n VAL 185 N 0.00 1.33 -3.57 0.44 0.31 -1.26 -1.61 118.33 113.97 1huw n VAL 185 Ca 0.00 0.67 -0.41 0.00 -0.01 0.00 0.00 64.34 64.59 1huw n VAL 185 Cb 0.00 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 1huw n VAL 185 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1huw s GLU 186 N -3.39 2.80 0.00 5.55 2.56 -1.26 -4.93 118.70 120.04 1huw s GLU 186 Ca -0.02 -2.27 0.00 0.00 0.00 0.00 0.00 54.97 52.68 1huw s GLU 186 Cb 0.04 -3.97 0.00 0.00 2.00 0.00 0.00 34.13 32.20 1huw s GLU 186 CO 0.14 -1.21 1.40 0.41 -0.56 0.00 0.00 175.26 175.44 1huw n GLY 187 N 4.06 1.99 2.65 -1.50 0.00 -0.63 -3.71 105.19 108.05 1huw n GLY 187 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1huw n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1huw n SER 188 N 1.30 -1.05 -0.12 1.61 3.41 -1.06 -4.92 113.62 112.80 1huw n SER 188 Ca 0.00 -1.57 -0.19 0.00 -0.26 0.00 0.00 58.87 56.85 1huw n SER 188 Cb 0.41 0.96 -0.12 0.00 -0.26 0.00 0.00 64.21 65.20 1huw n SER 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1huw n GLY 190 N 2.17 1.08 0.00 0.00 0.00 -1.26 -5.04 105.19 102.14 1huw n GLY 190 Ca -0.45 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1huw n GLY 190 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65