#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3deu n GLU 3 N 0.00 0.63 -2.61 1.96 2.13 -1.26 -4.97 120.64 116.53 3deu n GLU 3 Ca 0.00 0.30 -0.40 0.00 0.66 0.00 0.00 57.16 57.71 3deu n GLU 3 Cb 0.00 -1.80 -0.05 0.00 0.27 0.00 0.00 31.44 29.87 3deu n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3deu s SER 4 N -6.08 7.42 -1.47 4.31 0.01 -1.26 -4.90 113.70 111.73 3deu s SER 4 Ca -0.05 2.06 -0.09 0.00 1.31 0.00 0.00 55.95 59.19 3deu s SER 4 Cb 0.08 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.72 3deu s SER 4 CO 0.82 -0.05 2.55 -0.81 0.41 0.00 0.00 173.24 176.16 3deu n PRO 5 N 1.76 3.80 -0.31 12.44 -0.04 -1.26 -4.74 135.00 146.66 3deu n PRO 5 Ca -0.00 -2.78 -0.00 0.00 -0.04 0.00 0.00 63.50 60.67 3deu n PRO 5 Cb 0.46 -2.85 0.13 0.00 -0.04 0.00 0.00 33.50 31.20 3deu n PRO 5 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3deu h LEU 6 N 7.22 0.86 -0.42 1.53 5.85 -1.99 -2.10 115.31 126.27 3deu h LEU 6 Ca 0.72 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 59.28 3deu h LEU 6 Cb 0.39 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3deu h LEU 6 CO 1.70 0.57 -0.50 1.23 -0.34 0.00 0.00 178.44 181.10 3deu h GLY 7 N 1.00 0.84 2.00 3.75 0.00 -2.00 -1.40 103.07 107.27 3deu h GLY 7 Ca 0.36 -0.94 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 3deu h GLY 7 CO -0.15 0.84 -0.71 1.48 0.00 0.00 0.00 176.54 178.00 3deu h SER 8 N 0.60 0.00 0.10 0.19 4.64 -1.94 -1.14 113.55 116.00 3deu h SER 8 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3deu h SER 8 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3deu h SER 8 CO 0.11 0.71 -0.11 0.44 -0.87 0.00 0.00 176.83 177.10 3deu h ASP 9 N 0.00 -0.29 -0.62 4.97 3.32 -1.08 -1.60 116.42 121.12 3deu h ASP 9 Ca -0.01 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3deu h ASP 9 Cb 1.44 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.07 3deu h ASP 9 CO 0.09 -0.17 0.23 -0.07 -1.72 0.00 0.00 179.24 177.60 3deu h LEU 10 N -0.24 0.89 -0.14 1.55 3.38 -1.18 -2.21 115.31 117.36 3deu h LEU 10 Ca 0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3deu h LEU 10 Cb 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3deu h LEU 10 CO -0.04 0.82 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 3deu h ALA 11 N 1.30 0.21 -0.53 1.53 0.00 -1.05 -1.27 119.26 119.45 3deu h ALA 11 Ca 0.22 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3deu h ALA 11 Cb 0.23 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 3deu h ALA 11 CO -0.01 0.04 -0.16 -0.09 0.00 0.00 0.00 179.25 179.03 3deu h ARG 12 N -0.03 -0.03 -0.50 0.00 2.43 -1.27 -1.13 114.38 113.84 3deu h ARG 12 Ca 0.03 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3deu h ARG 12 Cb 0.59 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3deu h ARG 12 CO 0.03 -0.02 0.26 1.25 -1.51 0.00 0.00 179.97 179.98 3deu h LEU 13 N -0.03 0.39 -0.79 3.80 5.85 -1.02 0.08 115.31 123.59 3deu h LEU 13 Ca 0.25 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.88 3deu h LEU 13 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3deu h LEU 13 CO -0.56 0.27 -0.33 0.58 -0.34 0.00 0.00 178.44 178.06 3deu h VAL 14 N 0.52 1.29 -0.03 1.05 2.07 -1.05 -1.35 116.25 118.75 3deu h VAL 14 Ca 0.22 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3deu h VAL 14 Cb 0.10 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3deu h VAL 14 CO -0.14 0.46 -0.01 0.03 0.02 0.00 0.00 177.57 177.93 3deu h ARG 15 N 0.45 0.07 0.00 1.57 3.08 -0.42 -1.49 114.38 117.63 3deu h ARG 15 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3deu h ARG 15 Cb 0.80 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3deu h ARG 15 CO 0.07 0.42 -0.13 -0.84 -1.07 0.00 0.00 179.97 178.41 3deu h ILE 16 N -0.29 0.55 0.22 2.04 3.07 -0.98 -0.82 117.51 121.29 3deu h ILE 16 Ca 0.01 -0.61 -0.29 0.00 1.55 0.00 0.00 64.86 65.52 3deu h ILE 16 Cb 0.40 1.40 0.03 0.00 -0.27 0.00 0.00 36.82 38.38 3deu h ILE 16 CO 0.00 0.13 -1.29 -0.25 -1.05 0.00 0.00 178.15 175.69 3deu h TRP 17 N 0.00 0.85 -0.52 0.16 2.91 -1.19 -2.49 115.95 115.67 3deu h TRP 17 Ca -0.00 -0.62 -0.01 0.00 1.13 0.00 0.00 58.89 59.39 3deu h TRP 17 Cb 0.39 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.98 3deu h TRP 17 CO 0.00 1.49 0.30 -0.09 -1.03 0.00 0.00 178.44 179.12 3deu h ARG 18 N -0.01 0.71 -0.09 2.65 2.43 -1.08 -2.26 114.38 116.72 3deu h ARG 18 Ca -0.23 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.66 3deu h ARG 18 Cb 2.01 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 31.42 3deu h ARG 18 CO 0.24 0.51 -0.81 0.00 -1.51 0.00 0.00 179.97 178.40 3deu h ALA 19 N 1.62 0.22 -0.09 2.80 0.00 -1.02 0.14 119.26 122.93 3deu h ALA 19 Ca 0.19 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3deu h ALA 19 Cb -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3deu h ALA 19 CO -0.03 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.89 3deu h LEU 20 N 0.40 -0.59 -1.51 0.00 5.85 -1.37 -0.96 115.31 117.12 3deu h LEU 20 Ca -0.08 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3deu h LEU 20 Cb 1.45 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 3deu h LEU 20 CO 0.16 -0.25 0.37 0.40 -0.34 0.00 0.00 178.44 178.79 3deu h ILE 21 N -0.27 1.06 -0.50 4.05 2.04 -1.14 -2.00 117.51 120.76 3deu h ILE 21 Ca 0.09 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3deu h ILE 21 Cb 0.39 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3deu h ILE 21 CO -0.24 0.12 -0.05 0.44 0.00 0.00 0.00 178.15 178.41 3deu h ASP 22 N 0.64 0.91 0.73 1.72 3.32 0.53 -1.55 116.42 122.71 3deu h ASP 22 Ca 0.23 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3deu h ASP 22 Cb 0.12 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.43 3deu h ASP 22 CO -0.06 1.02 -0.35 -0.74 -1.72 0.00 0.00 179.24 177.39 3deu h HIS 23 N 0.77 -0.92 -0.08 4.55 2.76 -0.96 -2.53 115.15 118.75 3deu h HIS 23 Ca 0.13 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3deu h HIS 23 Cb 0.59 0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 3deu h HIS 23 CO 0.04 -0.57 0.17 0.00 -1.30 0.00 0.00 177.93 176.27 3deu h ARG 24 N -0.98 0.00 -0.47 5.26 3.08 -1.19 -2.34 114.38 117.73 3deu h ARG 24 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3deu h ARG 24 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3deu h ARG 24 CO 0.16 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.34 3deu n LEU 25 N -3.37 3.39 -0.00 3.04 4.77 -0.60 -4.60 117.00 119.62 3deu n LEU 25 Ca -0.01 -1.78 -0.15 0.00 -0.03 0.00 0.00 56.01 54.05 3deu n LEU 25 Cb 0.25 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3deu n LEU 25 CO 0.22 0.80 0.30 0.50 -1.33 0.00 0.00 177.39 177.88 3deu h LYS 26 N 3.58 0.69 -0.98 3.23 3.64 -1.03 -1.56 116.57 124.14 3deu h LYS 26 Ca 0.00 -0.56 0.24 0.00 -1.27 0.00 0.00 60.65 59.06 3deu h LYS 26 Cb 0.88 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.74 3deu h LYS 26 CO 0.00 1.17 0.64 -1.35 -2.27 0.00 0.00 179.45 177.64 3deu h PRO 27 N 0.47 0.38 0.00 1.90 0.11 -1.81 2.26 132.00 135.30 3deu h PRO 27 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3deu h PRO 27 Cb 1.37 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3deu h PRO 27 CO 0.15 0.25 0.00 1.28 -0.21 0.00 0.00 178.00 179.47 3deu n LEU 28 N -4.54 0.00 -3.75 2.35 4.77 -0.60 -4.88 117.00 110.34 3deu n LEU 28 Ca 0.22 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 3deu n LEU 28 Cb 0.80 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.82 3deu n LEU 28 CO 0.29 -0.00 -0.27 -1.84 -1.33 0.00 0.00 177.39 174.24 3deu n GLU 29 N -1.02 -0.85 -3.15 3.23 0.28 0.76 -4.94 120.64 114.94 3deu n GLU 29 Ca 0.20 0.01 -0.39 0.00 -0.16 0.00 0.00 57.16 56.82 3deu n GLU 29 Cb 0.10 -2.08 -0.05 0.00 1.43 0.00 0.00 31.44 30.84 3deu n GLU 29 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3deu s LEU 30 N -6.05 4.31 0.70 -1.84 1.43 -1.22 -5.06 118.68 110.95 3deu s LEU 30 Ca 0.08 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 3deu s LEU 30 Cb -0.04 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.25 3deu s LEU 30 CO 0.65 -0.06 1.08 0.28 0.23 0.00 0.00 176.35 178.53 3deu s THR 31 N 0.67 3.76 0.19 5.49 -1.32 -1.26 -4.70 115.64 118.47 3deu s THR 31 Ca 0.33 0.57 -0.16 0.00 -1.21 0.00 0.00 61.69 61.22 3deu s THR 31 Cb -0.17 -3.50 0.17 0.00 -1.51 0.00 0.00 72.50 67.49 3deu s THR 31 CO 0.15 -0.75 1.63 -0.61 -2.21 0.00 0.00 174.62 172.84 3deu h GLN 32 N -0.65 -0.04 -0.54 7.08 4.15 -1.98 -1.03 115.11 122.09 3deu h GLN 32 Ca -0.45 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 3deu h GLN 32 Cb 1.24 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3deu h GLN 32 CO 0.62 -0.03 0.04 1.15 -1.93 0.00 0.00 178.83 178.68 3deu h THR 33 N -0.04 1.26 0.27 2.39 2.02 -1.98 0.07 112.91 116.90 3deu h THR 33 Ca 0.25 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3deu h THR 33 Cb 0.42 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3deu h THR 33 CO -0.56 0.37 -0.13 0.45 0.37 0.00 0.00 175.52 176.03 3deu h HIS 34 N 0.81 -0.34 -0.15 3.16 3.86 -1.87 -1.29 115.15 119.32 3deu h HIS 34 Ca 0.16 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.20 3deu h HIS 34 Cb 0.48 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3deu h HIS 34 CO 0.04 -0.17 -0.57 0.11 0.86 0.00 0.00 177.93 178.20 3deu h TRP 35 N -0.42 0.60 -0.76 2.45 5.08 -1.02 -0.37 115.95 121.51 3deu h TRP 35 Ca -0.04 -0.22 0.03 0.00 1.08 0.00 0.00 58.89 59.75 3deu h TRP 35 Cb 0.32 -0.11 -0.05 0.00 -3.00 0.00 0.00 29.16 26.32 3deu h TRP 35 CO -0.04 0.93 0.48 0.28 -1.28 0.00 0.00 178.44 178.82 3deu h VAL 36 N 0.36 1.11 0.01 0.12 2.07 -1.01 0.35 116.25 119.26 3deu h VAL 36 Ca 0.00 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 3deu h VAL 36 Cb 1.10 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3deu h VAL 36 CO 0.10 0.17 -0.62 0.74 0.02 0.00 0.00 177.57 177.99 3deu h THR 37 N 0.94 1.44 -0.53 2.57 2.02 -0.85 -1.91 112.91 116.59 3deu h THR 37 Ca 0.31 -2.12 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 3deu h THR 37 Cb 0.02 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 3deu h THR 37 CO -0.11 0.61 0.27 -0.07 0.37 0.00 0.00 175.52 176.60 3deu h LEU 38 N -0.13 0.68 -0.27 2.58 3.38 -0.84 0.12 115.31 120.83 3deu h LEU 38 Ca -0.08 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3deu h LEU 38 Cb 1.34 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3deu h LEU 38 CO 0.12 0.59 -0.00 -0.74 0.09 0.00 0.00 178.44 178.50 3deu h HIS 39 N 0.71 -0.02 -0.71 1.13 2.76 -0.33 0.22 115.15 118.90 3deu h HIS 39 Ca 0.18 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3deu h HIS 39 Cb 0.08 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 3deu h HIS 39 CO -0.01 -0.05 0.44 -0.91 -1.30 0.00 0.00 177.93 176.11 3deu h ASN 40 N 0.08 0.73 -0.49 3.26 4.21 -0.98 0.39 115.58 122.78 3deu h ASN 40 Ca 0.13 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 3deu h ASN 40 Cb 0.17 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 3deu h ASN 40 CO -0.22 0.50 0.29 0.40 -1.29 0.00 0.00 177.43 177.12 3deu h ILE 41 N 0.86 1.15 -1.00 2.81 2.04 -0.31 -2.53 117.51 120.53 3deu h ILE 41 Ca 0.29 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3deu h ILE 41 Cb 0.03 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3deu h ILE 41 CO -0.11 0.16 0.66 -0.74 0.00 0.00 0.00 178.15 178.11 3deu h HIS 42 N 0.65 1.25 0.00 1.37 2.76 0.46 -2.77 115.15 118.87 3deu h HIS 42 Ca 0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3deu h HIS 42 Cb -0.00 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 28.53 3deu h HIS 42 CO -0.03 0.77 -0.15 0.00 -1.30 0.00 0.00 177.93 177.22 3deu n GLN 43 N -4.40 0.08 -2.21 5.26 10.64 0.03 -4.79 117.38 121.98 3deu n GLN 43 Ca 0.12 0.05 -0.32 0.00 -1.83 0.00 0.00 57.00 55.02 3deu n GLN 43 Cb 0.04 -1.58 -0.01 0.00 -0.86 0.00 0.00 30.24 27.83 3deu n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3deu s LEU 44 N -3.41 3.53 0.88 2.61 1.43 -0.97 -5.06 118.68 117.68 3deu s LEU 44 Ca 0.12 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 3deu s LEU 44 Cb 0.17 -4.51 0.12 0.00 0.03 0.00 0.00 46.19 42.00 3deu s LEU 44 CO 0.59 -0.82 1.13 -2.84 0.23 0.00 0.00 176.35 174.64 3deu s PRO 45 N -4.22 1.33 0.84 1.29 0.02 -1.26 -4.97 135.00 128.03 3deu s PRO 45 Ca 0.60 1.39 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 3deu s PRO 45 Cb -0.12 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.64 3deu s PRO 45 CO 0.36 -2.36 0.56 -2.30 -0.33 0.00 0.00 177.00 172.93 3deu n PRO 46 N -4.04 0.02 -3.43 5.54 -0.02 -1.26 -4.23 135.00 127.57 3deu n PRO 46 Ca 0.11 0.06 -0.32 0.00 -2.02 0.00 0.00 63.50 61.33 3deu n PRO 46 Cb 0.52 -1.92 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3deu n PRO 46 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3deu n ASP 47 N -1.16 -5.85 -4.78 2.55 8.00 -1.23 -4.97 116.55 109.10 3deu n ASP 47 Ca 0.09 -0.15 -0.38 0.00 0.71 0.00 0.00 54.79 55.06 3deu n ASP 47 Cb 0.52 -2.31 -0.06 0.00 -0.02 0.00 0.00 41.12 39.24 3deu n ASP 47 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3deu s GLN 48 N -2.80 4.18 0.56 -1.24 -1.52 -1.23 -4.81 119.66 112.81 3deu s GLN 48 Ca 0.31 0.55 -0.19 0.00 -1.95 0.00 0.00 55.36 54.08 3deu s GLN 48 Cb -0.04 -3.32 -0.07 0.00 -0.22 0.00 0.00 33.01 29.36 3deu s GLN 48 CO 0.86 0.45 0.77 -1.13 -0.25 0.00 0.00 175.29 175.99 3deu n SER 49 N 2.56 0.02 -0.25 5.90 3.41 -1.26 -0.37 113.62 123.63 3deu n SER 49 Ca -0.10 0.81 0.16 0.00 -0.26 0.00 0.00 58.87 59.49 3deu n SER 49 Cb 0.52 -1.28 0.31 0.00 -0.26 0.00 0.00 64.21 63.49 3deu n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3deu n GLN 50 N -0.41 -0.05 0.07 4.33 7.27 -0.39 -2.13 117.38 126.06 3deu n GLN 50 Ca 0.12 1.10 -0.18 0.00 0.07 0.00 0.00 57.00 58.11 3deu n GLN 50 Cb 0.46 -1.83 -0.10 0.00 2.41 0.00 0.00 30.24 31.18 3deu n GLN 50 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3deu h ILE 51 N 0.00 1.34 -0.51 1.69 2.04 -1.90 -0.09 117.51 120.07 3deu h ILE 51 Ca 0.53 -2.46 -0.09 0.00 1.00 0.00 0.00 64.86 63.85 3deu h ILE 51 Cb 1.25 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.86 3deu h ILE 51 CO -0.66 0.74 -0.02 1.56 0.00 0.00 0.00 178.15 179.78 3deu h GLN 52 N 0.27 0.92 0.16 2.37 4.20 -1.83 -2.26 115.11 118.94 3deu h GLN 52 Ca -0.13 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.27 3deu h GLN 52 Cb 1.76 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.46 3deu h GLN 52 CO 0.20 0.95 -0.07 1.25 -0.67 0.00 0.00 178.83 180.49 3deu h LEU 53 N 0.79 -0.18 -1.33 1.46 5.85 -0.99 0.12 115.31 121.04 3deu h LEU 53 Ca 0.14 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3deu h LEU 53 Cb 0.55 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 3deu h LEU 53 CO 0.03 -0.03 0.50 0.00 -0.34 0.00 0.00 178.44 178.61 3deu h ALA 54 N 0.51 1.68 -0.30 1.25 0.00 -1.03 -0.39 119.26 120.98 3deu h ALA 54 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3deu h ALA 54 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3deu h ALA 54 CO 0.04 0.19 -0.38 0.87 0.00 0.00 0.00 179.25 179.96 3deu h LYS 55 N 0.79 0.79 -0.05 0.00 1.57 -0.95 0.16 116.57 118.89 3deu h LYS 55 Ca 0.34 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3deu h LYS 55 Cb 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3deu h LYS 55 CO -0.12 1.08 -0.31 0.00 -0.57 0.00 0.00 179.45 179.53 3deu h ALA 56 N 0.70 1.40 0.01 3.86 0.00 0.02 -1.97 119.26 123.27 3deu h ALA 56 Ca 0.04 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 3deu h ALA 56 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3deu h ALA 56 CO 0.09 0.44 -0.87 0.82 0.00 0.00 0.00 179.25 179.73 3deu h ILE 57 N 0.08 1.55 -0.89 0.00 2.04 -0.79 -3.48 117.51 116.01 3deu h ILE 57 Ca 0.01 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.12 3deu h ILE 57 Cb 0.59 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3deu h ILE 57 CO 0.04 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.60 3deu n GLY 58 N 0.89 0.92 3.38 5.37 0.00 0.36 -5.10 105.19 111.02 3deu n GLY 58 Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 3deu n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3deu s ILE 59 N -2.89 0.50 -0.00 -0.61 -4.36 -0.06 -5.03 121.20 108.74 3deu s ILE 59 Ca 0.00 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 3deu s ILE 59 Cb 0.00 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 3deu s ILE 59 CO 0.00 0.00 0.25 -1.61 0.24 0.00 0.00 174.94 173.82 3deu s GLU 60 N -3.82 3.56 0.24 0.37 0.41 -1.26 -4.22 118.70 113.98 3deu s GLU 60 Ca 0.34 -0.09 -0.05 0.00 -0.41 0.00 0.00 54.97 54.76 3deu s GLU 60 Cb 0.05 -3.09 0.45 0.00 -1.78 0.00 0.00 34.13 29.76 3deu s GLU 60 CO 0.16 0.66 1.72 1.96 -0.49 0.00 0.00 175.26 179.28 3deu h GLN 61 N 4.07 0.38 0.00 1.61 4.20 -1.94 -1.86 115.11 121.57 3deu h GLN 61 Ca -0.50 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 3deu h GLN 61 Cb 1.20 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 3deu h GLN 61 CO 0.66 0.25 -0.14 -1.35 -0.67 0.00 0.00 178.83 177.58 3deu h PRO 62 N 0.40 0.00 -0.31 1.46 0.11 -2.01 0.60 132.00 132.24 3deu h PRO 62 Ca 0.41 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.36 3deu h PRO 62 Cb 0.63 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3deu h PRO 62 CO -0.42 0.14 -0.44 0.66 -0.21 0.00 0.00 178.00 177.73 3deu h SER 63 N 0.00 0.87 -0.83 -2.05 4.64 -1.76 -2.71 113.55 111.71 3deu h SER 63 Ca -0.00 -0.41 0.09 0.00 -0.47 0.00 0.00 61.79 61.00 3deu h SER 63 Cb 0.26 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 3deu h SER 63 CO 0.02 1.18 0.54 0.25 -0.87 0.00 0.00 176.83 177.94 3deu h LEU 64 N 0.64 0.72 -0.43 5.97 5.85 0.20 -3.24 115.31 125.02 3deu h LEU 64 Ca 0.04 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3deu h LEU 64 Cb 1.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3deu h LEU 64 CO 0.10 0.43 -0.31 0.58 -0.34 0.00 0.00 178.44 178.89 3deu h VAL 65 N 0.79 1.27 -0.92 1.05 2.07 -0.88 -1.61 116.25 118.03 3deu h VAL 65 Ca 0.38 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.43 3deu h VAL 65 Cb 0.42 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 3deu h VAL 65 CO -0.15 0.50 0.61 0.08 0.02 0.00 0.00 177.57 178.63 3deu h ARG 66 N 0.81 1.22 -0.17 1.57 0.11 -1.63 -0.88 114.38 115.41 3deu h ARG 66 Ca 0.08 -0.08 -0.06 0.00 0.10 0.00 0.00 59.98 60.03 3deu h ARG 66 Cb 0.90 -0.27 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 3deu h ARG 66 CO 0.08 0.81 -0.11 1.15 0.10 0.00 0.00 179.97 182.00 3deu h THR 67 N 1.25 1.32 -0.90 0.08 2.02 -1.49 -2.08 112.91 113.12 3deu h THR 67 Ca 0.34 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.33 3deu h THR 67 Cb -0.14 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3deu h THR 67 CO -0.07 0.36 0.59 -0.07 0.37 0.00 0.00 175.52 176.70 3deu h LEU 68 N 0.05 1.03 -0.41 2.58 3.38 -1.13 -2.40 115.31 118.41 3deu h LEU 68 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3deu h LEU 68 Cb 0.61 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3deu h LEU 68 CO 0.03 0.75 0.27 0.44 0.09 0.00 0.00 178.44 180.02 3deu h ASP 69 N 1.22 0.47 0.94 -0.43 3.32 -0.74 -0.30 116.42 120.89 3deu h ASP 69 Ca 0.33 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 3deu h ASP 69 Cb -0.14 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.30 3deu h ASP 69 CO -0.07 0.34 -0.45 1.56 -1.72 0.00 0.00 179.24 178.90 3deu h GLN 70 N 0.55 -1.22 -1.30 3.56 4.20 -1.05 0.14 115.11 120.00 3deu h GLN 70 Ca 0.15 0.08 0.45 0.00 0.06 0.00 0.00 58.65 59.39 3deu h GLN 70 Cb -0.06 0.28 -0.14 0.00 0.30 0.00 0.00 27.48 27.85 3deu h GLN 70 CO -0.03 -0.81 0.82 -0.07 -0.67 0.00 0.00 178.83 178.06 3deu h LEU 71 N -1.28 0.24 -0.04 1.46 3.38 -1.40 0.45 115.31 118.12 3deu h LEU 71 Ca -0.13 0.16 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 3deu h LEU 71 Cb 0.97 0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3deu h LEU 71 CO 0.21 -0.25 -1.06 -0.08 0.09 0.00 0.00 178.44 177.35 3deu h GLU 72 N 0.05 0.54 -0.79 1.13 4.81 -0.54 0.28 114.58 120.06 3deu h GLU 72 Ca 0.85 -0.62 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3deu h GLU 72 Cb 2.62 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 32.13 3deu h GLU 72 CO -0.50 1.24 0.49 -0.44 -0.73 0.00 0.00 179.01 179.07 3deu h ASP 73 N 0.28 0.78 -0.04 1.04 3.32 0.19 -1.34 116.42 120.64 3deu h ASP 73 Ca -0.12 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3deu h ASP 73 Cb 1.71 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3deu h ASP 73 CO 0.19 0.51 0.00 1.17 -1.72 0.00 0.00 179.24 179.40 3deu n LYS 74 N -4.65 1.28 -1.02 3.56 4.81 -0.08 -4.90 118.16 117.17 3deu n LYS 74 Ca 0.10 -0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 57.12 3deu n LYS 74 Cb 0.14 -1.41 -0.00 0.00 0.02 0.00 0.00 35.03 33.78 3deu n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3deu n GLY 75 N 0.99 0.48 0.26 3.14 0.00 -0.51 -4.90 105.19 104.65 3deu n GLY 75 Ca 0.18 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.96 3deu n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3deu h LEU 76 N 0.00 0.00 -7.48 0.99 3.38 -1.18 -3.42 115.31 107.60 3deu h LEU 76 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3deu h LEU 76 Cb 0.08 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.57 3deu h LEU 76 CO 0.02 0.03 -0.42 -0.63 0.09 0.00 0.00 178.44 177.52 3deu s ILE 77 N -3.58 0.00 0.01 1.22 -1.09 -1.19 -2.15 121.20 114.41 3deu s ILE 77 Ca 0.02 -0.01 0.08 0.00 -2.23 0.00 0.00 60.65 58.51 3deu s ILE 77 Cb 0.08 -0.36 -0.02 0.00 -1.58 0.00 0.00 42.46 40.58 3deu s ILE 77 CO 0.58 -0.01 -0.24 -0.94 -1.23 0.00 0.00 174.94 173.10 3deu s SER 78 N 0.11 2.86 -0.02 3.58 1.04 0.59 -4.43 113.70 117.44 3deu s SER 78 Ca -0.00 -0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.02 3deu s SER 78 Cb -0.02 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3deu s SER 78 CO 0.00 0.27 -0.24 -0.13 0.98 0.00 0.00 173.24 174.13 3deu s ARG 79 N -0.81 1.94 -0.11 4.02 0.52 -1.26 -1.50 118.95 121.75 3deu s ARG 79 Ca 0.10 -0.85 0.18 0.00 -0.52 0.00 0.00 55.73 54.63 3deu s ARG 79 Cb -0.09 -1.87 0.35 0.00 0.52 0.00 0.00 34.95 33.86 3deu s ARG 79 CO 0.00 0.51 1.17 1.04 0.02 0.00 0.00 175.30 178.04 3deu n GLN 80 N 2.50 0.62 -3.11 3.54 3.00 -1.26 -4.98 117.38 117.69 3deu n GLN 80 Ca -0.16 -2.05 -0.45 0.00 -0.01 0.00 0.00 57.00 54.33 3deu n GLN 80 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 30.24 30.50 3deu n GLN 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3deu s LYS 89 N -0.93 3.44 0.22 -1.09 1.02 -1.26 -4.84 119.74 116.29 3deu s LYS 89 Ca 0.21 -1.87 0.06 0.00 0.02 0.00 0.00 55.97 54.40 3deu s LYS 89 Cb 0.30 -4.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 3deu s LYS 89 CO -0.09 -1.55 0.17 1.03 -0.92 0.00 0.00 175.35 173.98 3deu s ARG 90 N 1.85 2.89 -0.07 1.68 1.81 -1.26 -1.27 118.95 124.58 3deu s ARG 90 Ca 0.22 -0.99 0.02 0.00 -1.72 0.00 0.00 55.73 53.25 3deu s ARG 90 Cb -0.12 -2.58 0.01 0.00 -0.45 0.00 0.00 34.95 31.81 3deu s ARG 90 CO -0.05 0.43 -0.13 0.42 -0.68 0.00 0.00 175.30 175.30 3deu s ILE 91 N -1.99 1.22 -0.05 1.52 1.01 0.50 -4.07 121.20 119.35 3deu s ILE 91 Ca 0.32 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3deu s ILE 91 Cb -0.09 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.30 3deu s ILE 91 CO 0.24 0.38 0.00 -0.75 0.00 0.00 0.00 174.94 174.81 3deu s LYS 92 N 0.72 0.43 0.36 2.79 2.20 -0.56 -3.49 119.74 122.20 3deu s LYS 92 Ca -0.13 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.31 3deu s LYS 92 Cb -0.16 -0.73 -0.11 0.00 -1.51 0.00 0.00 37.83 35.32 3deu s LYS 92 CO 0.03 -0.23 1.47 -0.51 -0.36 0.00 0.00 175.35 175.75 3deu s LEU 93 N 1.57 4.34 0.61 5.43 1.43 -1.26 -0.30 118.68 130.49 3deu s LEU 93 Ca -0.02 2.99 -0.06 0.00 -1.03 0.00 0.00 54.13 56.01 3deu s LEU 93 Cb -0.13 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.44 3deu s LEU 93 CO -0.03 -0.82 0.92 0.42 0.23 0.00 0.00 176.35 177.07 3deu s THR 94 N -1.04 3.47 0.27 5.49 -4.23 -0.91 -4.82 115.64 113.86 3deu s THR 94 Ca 0.53 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3deu s THR 94 Cb -0.45 -3.39 0.26 0.00 1.34 0.00 0.00 72.50 70.25 3deu s THR 94 CO 0.61 -0.41 1.73 -0.33 -0.54 0.00 0.00 174.62 175.68 3deu h GLU 95 N -0.24 0.50 0.00 3.99 5.08 -1.91 -2.42 114.58 119.58 3deu h GLU 95 Ca -0.45 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3deu h GLU 95 Cb 1.26 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3deu h GLU 95 CO 0.61 0.33 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.60 3deu h LYS 96 N 0.51 0.00 0.00 2.33 3.64 -1.92 -2.93 116.57 118.21 3deu h LYS 96 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3deu h LYS 96 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3deu h LYS 96 CO -0.43 0.12 -0.55 0.00 -2.27 0.00 0.00 179.45 176.32 3deu n ALA 97 N -2.26 2.93 0.03 5.00 0.00 -0.92 -4.49 120.51 120.82 3deu n ALA 97 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 3deu n ALA 97 Cb 0.26 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 3deu n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3deu h GLU 98 N 0.00 -0.38 -0.31 0.00 5.08 -1.50 0.20 114.58 117.68 3deu h GLU 98 Ca 0.00 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3deu h GLU 98 Cb 0.71 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3deu h GLU 98 CO 0.00 -0.25 0.15 -1.35 -1.00 0.00 0.00 179.01 176.56 3deu h PRO 99 N -0.40 0.42 -0.17 2.33 0.11 -1.80 -1.10 132.00 131.39 3deu h PRO 99 Ca 0.08 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 3deu h PRO 99 Cb 0.51 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3deu h PRO 99 CO -0.28 0.32 -0.14 1.25 -0.21 0.00 0.00 178.00 178.94 3deu h LEU 100 N 0.42 0.42 -0.12 2.35 5.85 -1.43 -2.28 115.31 120.52 3deu h LEU 100 Ca 0.11 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.40 3deu h LEU 100 Cb 0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3deu h LEU 100 CO -0.02 0.80 -0.11 0.40 -0.34 0.00 0.00 178.44 179.17 3deu h ILE 101 N 0.06 0.69 -0.49 4.05 1.08 -0.52 -0.75 117.51 121.63 3deu h ILE 101 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3deu h ILE 101 Cb 0.66 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 3deu h ILE 101 CO 0.04 0.00 0.27 0.00 -0.69 0.00 0.00 178.15 177.77 3deu h ALA 102 N 0.96 0.63 -0.46 1.87 0.00 -1.11 0.29 119.26 121.42 3deu h ALA 102 Ca 0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3deu h ALA 102 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3deu h ALA 102 CO -0.20 0.14 0.01 1.49 0.00 0.00 0.00 179.25 180.69 3deu h GLU 103 N 0.65 0.76 0.41 0.00 4.57 -1.32 -1.84 114.58 117.81 3deu h GLU 103 Ca 0.17 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3deu h GLU 103 Cb 0.04 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3deu h GLU 103 CO -0.03 0.76 -0.24 1.98 -1.18 0.00 0.00 179.01 180.31 3deu h MET 104 N 0.71 -0.59 -0.57 1.92 4.05 0.00 -1.90 114.93 118.55 3deu h MET 104 Ca 0.14 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.67 3deu h MET 104 Cb 0.43 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 3deu h MET 104 CO 0.02 -0.39 0.38 0.93 0.23 0.00 0.00 176.91 178.08 3deu h GLU 105 N -0.61 0.48 -0.37 0.39 4.39 -0.45 -0.84 114.58 117.58 3deu h GLU 105 Ca -0.05 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 3deu h GLU 105 Cb 0.50 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3deu h GLU 105 CO 0.05 0.32 -0.12 1.49 -1.16 0.00 0.00 179.01 179.60 3deu h GLU 106 N 0.50 0.73 -0.53 2.33 4.57 -1.11 0.08 114.58 121.14 3deu h GLU 106 Ca 0.25 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3deu h GLU 106 Cb 0.35 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3deu h GLU 106 CO -0.07 0.89 -0.00 0.28 -1.18 0.00 0.00 179.01 178.93 3deu h VAL 107 N 0.52 1.26 0.51 0.32 2.07 -0.57 -1.76 116.25 118.60 3deu h VAL 107 Ca 0.09 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3deu h VAL 107 Cb 0.64 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3deu h VAL 107 CO 0.04 0.39 -0.24 0.40 0.02 0.00 0.00 177.57 178.18 3deu h ILE 108 N 0.81 0.50 -0.60 4.57 2.04 -1.10 0.14 117.51 123.88 3deu h ILE 108 Ca 0.15 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 66.11 3deu h ILE 108 Cb 0.53 0.51 -0.11 0.00 -0.74 0.00 0.00 36.82 37.02 3deu h ILE 108 CO 0.03 0.00 -0.06 -0.74 0.00 0.00 0.00 178.15 177.38 3deu h HIS 109 N -0.70 -0.15 -0.48 1.37 2.76 -1.00 -0.09 115.15 116.86 3deu h HIS 109 Ca -0.07 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 3deu h HIS 109 Cb 0.53 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3deu h HIS 109 CO -0.04 -0.20 -0.17 -0.22 -1.30 0.00 0.00 177.93 176.00 3deu h LYS 110 N 0.06 0.97 -0.76 5.26 1.63 -1.22 -1.86 116.57 120.64 3deu h LYS 110 Ca 0.30 -0.39 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 3deu h LYS 110 Cb 0.48 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 3deu h LYS 110 CO -0.56 1.06 0.35 1.15 -3.45 0.00 0.00 179.45 178.01 3deu h THR 111 N 0.82 1.24 -0.36 1.00 2.02 -0.26 -2.39 112.91 114.99 3deu h THR 111 Ca 0.12 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3deu h THR 111 Cb 0.74 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3deu h THR 111 CO 0.06 0.30 0.16 -0.09 0.37 0.00 0.00 175.52 176.32 3deu h ARG 112 N 1.09 0.53 -0.45 6.66 2.43 -0.69 0.34 114.38 124.29 3deu h ARG 112 Ca 0.26 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 3deu h ARG 112 Cb 0.13 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 3deu h ARG 112 CO -0.03 0.49 0.08 0.78 -1.51 0.00 0.00 179.97 179.78 3deu h GLY 113 N 0.44 0.53 1.73 2.80 0.00 -1.24 0.45 103.07 107.79 3deu h GLY 113 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3deu h GLY 113 CO -0.01 -0.06 -0.29 0.83 0.00 0.00 0.00 176.54 177.01 3deu h GLU 114 N 0.21 0.31 -0.12 4.80 5.08 -1.11 -2.79 114.58 120.95 3deu h GLU 114 Ca 0.22 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3deu h GLU 114 Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3deu h GLU 114 CO -0.30 0.58 -0.31 0.82 -1.00 0.00 0.00 179.01 178.79 3deu h ILE 115 N 0.28 1.27 -0.01 3.13 2.04 -0.13 -3.19 117.51 120.90 3deu h ILE 115 Ca 0.04 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3deu h ILE 115 Cb 0.65 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3deu h ILE 115 CO 0.05 0.38 -0.05 0.18 0.00 0.00 0.00 178.15 178.71 3deu n LEU 116 N -4.11 1.52 -4.57 1.44 4.77 0.07 -4.93 117.00 111.20 3deu n LEU 116 Ca -0.01 -0.50 -0.50 0.00 -0.03 0.00 0.00 56.01 54.97 3deu n LEU 116 Cb 0.41 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3deu n LEU 116 CO 0.40 0.26 1.64 0.00 -1.33 0.00 0.00 177.39 178.36 3deu n ALA 117 N 0.11 0.88 -0.55 -1.18 0.00 -1.09 -1.79 120.51 116.89 3deu n ALA 117 Ca 0.17 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3deu n ALA 117 Cb 0.37 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3deu n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3deu n GLY 118 N 5.46 0.69 3.34 0.00 0.00 -1.26 -5.04 105.19 108.37 3deu n GLY 118 Ca 0.32 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3deu n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3deu s ILE 119 N -2.00 2.43 0.40 -0.61 1.01 -0.74 -5.10 121.20 116.59 3deu s ILE 119 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 3deu s ILE 119 Cb 0.00 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 3deu s ILE 119 CO 0.00 0.57 0.79 -0.94 0.00 0.00 0.00 174.94 175.36 3deu s SER 120 N -0.28 6.60 0.37 3.58 1.04 -1.26 -4.91 113.70 118.85 3deu s SER 120 Ca 0.01 1.23 0.11 0.00 0.48 0.00 0.00 55.95 57.78 3deu s SER 120 Cb -0.13 -2.36 0.89 0.00 0.10 0.00 0.00 66.02 64.52 3deu s SER 120 CO 0.03 -0.37 1.87 0.77 0.98 0.00 0.00 173.24 176.51 3deu h SER 121 N 1.47 0.58 0.63 7.02 4.64 -1.98 -1.61 113.55 124.30 3deu h SER 121 Ca -0.47 0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 60.67 3deu h SER 121 Cb 1.18 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3deu h SER 121 CO 0.64 0.29 -0.99 1.05 -0.87 0.00 0.00 176.83 176.94 3deu h GLU 122 N 0.61 0.21 -0.62 4.77 9.09 -1.98 0.24 114.58 126.90 3deu h GLU 122 Ca 0.44 -0.27 -0.01 0.00 0.05 0.00 0.00 59.36 59.58 3deu h GLU 122 Cb 0.80 0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 27.96 3deu h GLU 122 CO -0.19 1.04 0.34 1.49 0.05 0.00 0.00 179.01 181.74 3deu h GLU 123 N 0.10 0.84 -0.02 1.06 4.81 -1.87 -1.14 114.58 118.36 3deu h GLU 123 Ca -0.06 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 3deu h GLU 123 Cb 1.66 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 3deu h GLU 123 CO 0.15 0.62 -0.87 0.82 -0.73 0.00 0.00 179.01 179.01 3deu h ILE 124 N 0.85 1.41 -0.64 2.32 1.08 -0.93 -2.40 117.51 119.21 3deu h ILE 124 Ca 0.22 -2.37 -0.04 0.00 -0.39 0.00 0.00 64.86 62.28 3deu h ILE 124 Cb 0.02 2.33 -0.03 0.00 -3.07 0.00 0.00 36.82 36.06 3deu h ILE 124 CO -0.04 0.71 0.25 -0.08 -0.69 0.00 0.00 178.15 178.30 3deu h GLU 125 N 0.23 0.96 -0.60 2.37 4.81 -0.89 -1.31 114.58 120.14 3deu h GLU 125 Ca -0.06 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3deu h GLU 125 Cb 1.48 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3deu h GLU 125 CO 0.15 0.81 0.14 1.25 -0.73 0.00 0.00 179.01 180.63 3deu h LEU 126 N 0.90 0.91 -0.34 1.64 6.46 -1.12 -2.29 115.31 121.46 3deu h LEU 126 Ca 0.21 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.81 3deu h LEU 126 Cb 0.22 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 39.83 3deu h LEU 126 CO -0.02 0.91 -0.17 0.25 -0.62 0.00 0.00 178.44 178.79 3deu h LEU 127 N 0.88 -0.58 -1.01 2.25 5.85 -1.20 0.54 115.31 122.04 3deu h LEU 127 Ca 0.19 0.14 0.03 0.00 0.84 0.00 0.00 57.88 59.07 3deu h LEU 127 Cb 0.36 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3deu h LEU 127 CO 0.00 -0.21 0.66 0.40 -0.34 0.00 0.00 178.44 178.96 3deu h ILE 128 N -0.12 1.20 -0.19 4.05 2.04 -1.15 0.49 117.51 123.84 3deu h ILE 128 Ca 0.17 -0.45 -0.18 0.00 1.00 0.00 0.00 64.86 65.41 3deu h ILE 128 Cb 0.39 -0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3deu h ILE 128 CO -0.42 0.24 -0.61 0.11 0.00 0.00 0.00 178.15 177.46 3deu h LYS 129 N 1.31 0.64 -0.52 2.37 1.79 -0.74 -2.72 116.57 118.70 3deu h LYS 129 Ca 0.39 -0.44 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3deu h LYS 129 Cb -0.05 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 3deu h LYS 129 CO -0.11 1.06 0.23 1.25 -1.08 0.00 0.00 179.45 180.80 3deu h LEU 130 N 0.47 0.69 -0.46 2.94 5.85 -0.22 -2.32 115.31 122.28 3deu h LEU 130 Ca -0.01 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.65 3deu h LEU 130 Cb 1.19 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 3deu h LEU 130 CO 0.12 0.65 -0.03 0.40 -0.34 0.00 0.00 178.44 179.24 3deu h ILE 131 N 0.69 0.62 -0.51 4.05 2.04 -0.87 0.04 117.51 123.56 3deu h ILE 131 Ca 0.17 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.10 3deu h ILE 131 Cb 0.16 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 3deu h ILE 131 CO -0.02 0.01 0.08 0.00 0.00 0.00 0.00 178.15 178.22 3deu h ALA 132 N 1.42 0.56 -0.35 1.87 0.00 -1.30 -0.79 119.26 120.67 3deu h ALA 132 Ca 0.23 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3deu h ALA 132 Cb 0.34 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3deu h ALA 132 CO -0.41 -0.33 -0.10 0.87 0.00 0.00 0.00 179.25 179.28 3deu h LYS 133 N 0.21 0.69 -0.32 0.00 1.57 -0.99 -0.94 116.57 116.79 3deu h LYS 133 Ca 0.26 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3deu h LYS 133 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3deu h LYS 133 CO -0.36 0.86 0.07 -0.07 -0.57 0.00 0.00 179.45 179.38 3deu h LEU 134 N 0.48 0.02 -0.67 2.94 3.38 -0.63 0.97 115.31 121.81 3deu h LEU 134 Ca 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3deu h LEU 134 Cb 0.62 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3deu h LEU 134 CO 0.04 0.05 0.38 -0.33 0.09 0.00 0.00 178.44 178.67 3deu h GLU 135 N 0.18 0.92 -0.40 1.13 5.08 -1.08 -0.62 114.58 119.79 3deu h GLU 135 Ca 0.15 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3deu h GLU 135 Cb 0.16 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3deu h GLU 135 CO -0.19 0.67 0.25 1.25 -1.00 0.00 0.00 179.01 179.99 3deu h HIS 136 N 0.91 0.48 -0.46 4.33 2.76 -0.80 0.89 115.15 123.26 3deu h HIS 136 Ca 0.24 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.48 3deu h HIS 136 Cb 0.01 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.76 3deu h HIS 136 CO -0.01 0.29 0.18 -0.91 -1.30 0.00 0.00 177.93 176.18 3deu h ASN 137 N 0.51 0.21 -0.35 3.26 2.35 -0.39 -1.69 115.58 119.48 3deu h ASN 137 Ca 0.15 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3deu h ASN 137 Cb -0.03 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3deu h ASN 137 CO -0.05 0.15 0.18 0.40 -1.65 0.00 0.00 177.43 176.46 3deu h ILE 138 N 0.36 1.00 -0.06 2.81 2.04 0.27 -0.02 117.51 123.92 3deu h ILE 138 Ca 0.22 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3deu h ILE 138 Cb 0.20 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3deu h ILE 138 CO -0.20 0.07 -0.01 0.24 0.00 0.00 0.00 178.15 178.25 3deu h MET 139 N 0.38 0.11 -0.69 2.37 2.86 -0.55 0.45 114.93 119.86 3deu h MET 139 Ca 0.14 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.94 3deu h MET 139 Cb 0.04 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3deu h MET 139 CO -0.09 0.42 0.72 1.49 1.06 0.00 0.00 176.91 180.50 3deu h GLU 140 N -0.20 0.00 0.00 1.72 4.81 -1.14 -3.51 114.58 116.25 3deu h GLU 140 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3deu h GLU 140 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3deu h GLU 140 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56