#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gou n LEU 2 N 0.00 -1.26 -4.70 1.34 4.77 -1.26 -4.97 117.00 110.92 3gou n LEU 2 Ca 0.00 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 3gou n LEU 2 Cb 0.00 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3gou n LEU 2 CO 0.00 -0.01 1.05 -1.54 -1.33 0.00 0.00 177.39 175.56 3gou n SER 3 N 1.47 3.06 0.16 -1.43 3.41 -1.26 -4.45 113.62 114.59 3gou n SER 3 Ca -0.02 1.16 0.11 0.00 -0.26 0.00 0.00 58.87 59.86 3gou n SER 3 Cb 0.52 -1.49 0.27 0.00 -0.26 0.00 0.00 64.21 63.26 3gou n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3gou h PRO 4 N 3.94 0.00 0.57 4.33 0.11 -1.99 2.17 132.00 141.14 3gou h PRO 4 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3gou h PRO 4 Cb 1.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.38 3gou h PRO 4 CO 0.73 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.25 3gou h ALA 5 N 0.41 -0.77 -0.49 -0.75 0.00 -2.00 -2.24 119.26 113.41 3gou h ALA 5 Ca 0.15 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3gou h ALA 5 Cb 2.03 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 3gou h ALA 5 CO -0.00 -0.89 0.02 -0.44 0.00 0.00 0.00 179.25 177.94 3gou h ASP 6 N -0.85 0.83 -0.95 0.00 3.32 0.33 -2.58 116.42 116.53 3gou h ASP 6 Ca -0.08 -0.30 0.14 0.00 0.02 0.00 0.00 57.03 56.81 3gou h ASP 6 Cb 0.62 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.86 3gou h ASP 6 CO 0.13 0.92 0.57 0.11 -1.72 0.00 0.00 179.24 179.25 3gou h LYS 7 N 0.72 0.83 -0.68 3.56 1.57 -1.58 0.62 116.57 121.60 3gou h LYS 7 Ca 0.14 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3gou h LYS 7 Cb 0.48 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3gou h LYS 7 CO 0.02 0.55 0.20 1.15 -0.57 0.00 0.00 179.45 180.79 3gou h THR 8 N 0.85 1.25 -0.20 -0.16 2.02 -1.04 -1.43 112.91 114.20 3gou h THR 8 Ca 0.50 -0.89 -0.21 0.00 0.77 0.00 0.00 66.41 66.57 3gou h THR 8 Cb 0.59 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3gou h THR 8 CO -0.31 0.35 -0.70 0.78 0.37 0.00 0.00 175.52 176.01 3gou h ASN 9 N 1.02 0.95 0.73 4.18 -0.26 -0.84 -0.77 115.58 120.59 3gou h ASN 9 Ca 0.22 -0.60 -0.04 0.00 -0.56 0.00 0.00 56.30 55.33 3gou h ASN 9 Cb 0.31 -0.28 0.01 0.00 -1.06 0.00 0.00 38.32 37.30 3gou h ASN 9 CO -0.00 1.39 -0.35 0.40 -1.06 0.00 0.00 177.43 177.80 3gou h ILE 10 N 0.58 0.21 -0.19 2.81 2.04 -0.91 -1.76 117.51 120.28 3gou h ILE 10 Ca -0.03 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3gou h ILE 10 Cb 1.32 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3gou h ILE 10 CO 0.15 0.01 -0.19 0.11 0.00 0.00 0.00 178.15 178.23 3gou h LYS 11 N -1.09 -0.21 -0.98 2.37 1.57 -1.32 0.14 116.57 117.05 3gou h LYS 11 Ca -0.10 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.82 3gou h LYS 11 Cb 0.77 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.05 3gou h LYS 11 CO 0.17 -0.14 0.60 1.03 -0.57 0.00 0.00 179.45 180.54 3gou h SER 12 N -0.22 0.87 -0.02 0.86 0.87 -1.20 -2.44 113.55 112.28 3gou h SER 12 Ca 0.12 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3gou h SER 12 Cb 0.40 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3gou h SER 12 CO -0.31 0.45 -0.45 0.74 -0.53 0.00 0.00 176.83 176.72 3gou h THR 13 N 0.94 1.46 -0.01 2.23 2.02 -0.48 -3.16 112.91 115.90 3gou h THR 13 Ca 0.49 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3gou h THR 13 Cb 0.52 2.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3gou h THR 13 CO -0.28 0.56 0.03 -0.25 0.37 0.00 0.00 175.52 175.95 3gou h TRP 14 N -0.21 0.00 -0.01 3.16 2.91 -0.48 -1.89 115.95 119.43 3gou h TRP 14 Ca -0.05 0.00 -0.27 0.00 1.13 0.00 0.00 58.89 59.70 3gou h TRP 14 Cb 1.16 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 29.83 3gou h TRP 14 CO 0.15 0.00 -1.03 0.22 -1.03 0.00 0.00 178.44 176.75 3gou h ASP 15 N 0.00 0.92 1.09 2.65 -0.00 -1.41 -3.00 116.42 116.67 3gou h ASP 15 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 57.03 56.30 3gou h ASP 15 Cb 0.06 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.10 3gou h ASP 15 CO -0.00 1.53 -0.22 0.29 -0.00 0.00 0.00 179.24 180.85 3gou n LYS 16 N -3.86 0.17 -0.07 0.28 5.02 -0.78 -2.94 118.16 115.99 3gou n LYS 16 Ca -0.11 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3gou n LYS 16 Cb 0.88 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.18 3gou n LYS 16 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3gou h ILE 17 N 0.00 1.18 0.00 -0.18 2.04 -1.34 -3.47 117.51 115.73 3gou h ILE 17 Ca 0.00 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3gou h ILE 17 Cb 0.65 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3gou h ILE 17 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3gou n GLY 18 N -0.66 4.05 0.04 5.37 0.00 -1.14 -2.24 105.19 110.62 3gou n GLY 18 Ca -0.03 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3gou n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gou n GLY 19 N 0.00 -1.22 0.00 -0.02 0.00 -1.26 -3.51 105.19 99.18 3gou n GLY 19 Ca 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3gou n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gou n HIS 20 N -1.31 0.00 0.20 1.61 -0.00 -0.95 -4.05 115.22 110.72 3gou n HIS 20 Ca 0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.64 3gou n HIS 20 Cb 0.32 -0.31 -0.09 0.00 -0.00 0.00 0.00 29.99 29.91 3gou n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gou h ALA 21 N 3.32 -1.01 -0.94 -1.41 0.00 -1.71 0.19 119.26 117.69 3gou h ALA 21 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.87 3gou h ALA 21 Cb 0.29 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3gou h ALA 21 CO 0.00 -1.12 0.61 0.78 0.00 0.00 0.00 179.25 179.51 3gou h GLY 22 N -0.85 1.43 1.23 0.00 0.00 -1.88 -0.82 103.07 102.18 3gou h GLY 22 Ca -0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3gou h GLY 22 CO -0.18 0.22 0.45 -0.55 0.00 0.00 0.00 176.54 176.49 3gou h ASP 23 N 0.98 0.90 -0.10 0.19 5.19 -1.63 -2.99 116.42 118.96 3gou h ASP 23 Ca 0.44 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.76 3gou h ASP 23 Cb 0.38 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 3gou h ASP 23 CO -0.20 0.69 -0.09 1.88 -3.12 0.00 0.00 179.24 178.40 3gou h TYR 24 N 1.04 0.28 -1.05 4.55 0.99 0.43 -2.81 116.97 120.41 3gou h TYR 24 Ca 0.27 -0.08 0.33 0.00 2.00 0.00 0.00 58.73 61.25 3gou h TYR 24 Cb -0.04 -0.06 -0.14 0.00 1.00 0.00 0.00 36.73 37.49 3gou h TYR 24 CO 0.00 0.66 0.62 0.78 -0.00 0.00 0.00 178.16 180.21 3gou h GLY 25 N -0.17 1.90 0.70 3.88 0.00 -1.22 0.85 103.07 109.01 3gou h GLY 25 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3gou h GLY 25 CO 0.02 -0.46 -0.12 -1.33 0.00 0.00 0.00 176.54 174.66 3gou h GLY 26 N 0.29 0.32 1.05 4.60 0.00 -1.45 -0.61 103.07 107.27 3gou h GLY 26 Ca 0.74 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.64 3gou h GLY 26 CO -0.56 0.30 -0.05 -2.09 0.00 0.00 0.00 176.54 174.14 3gou h GLU 27 N -0.10 0.95 -0.13 4.80 4.81 -0.17 0.63 114.58 125.37 3gou h GLU 27 Ca 0.02 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3gou h GLU 27 Cb 0.65 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3gou h GLU 27 CO 0.03 0.99 -0.12 0.00 -0.73 0.00 0.00 179.01 179.18 3gou h ALA 28 N 0.93 -0.02 -0.48 2.92 0.00 0.51 0.47 119.26 123.60 3gou h ALA 28 Ca 0.14 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gou h ALA 28 Cb 0.60 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3gou h ALA 28 CO 0.04 -0.57 0.29 -0.07 0.00 0.00 0.00 179.25 178.94 3gou h LEU 29 N -0.14 0.48 -0.57 0.00 3.38 -0.91 -1.10 115.31 116.45 3gou h LEU 29 Ca 0.09 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3gou h LEU 29 Cb 0.26 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3gou h LEU 29 CO -0.21 0.34 0.11 -0.78 0.09 0.00 0.00 178.44 177.98 3gou h ASP 30 N 0.58 -0.02 -0.47 -0.43 -0.00 -0.53 -1.28 116.42 114.27 3gou h ASP 30 Ca 0.19 0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 57.27 3gou h ASP 30 Cb -0.00 0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 39.46 3gou h ASP 30 CO -0.08 0.00 0.11 0.03 -0.00 0.00 0.00 179.24 179.30 3gou h ARG 31 N 0.24 0.82 -0.44 0.28 3.08 0.70 -2.45 114.38 116.62 3gou h ARG 31 Ca 0.29 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3gou h ARG 31 Cb 0.43 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3gou h ARG 31 CO -0.39 0.76 -0.08 1.15 -1.07 0.00 0.00 179.97 180.34 3gou h THR 32 N 0.79 1.27 -0.70 2.04 2.02 -0.43 -2.69 112.91 115.22 3gou h THR 32 Ca 0.17 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3gou h THR 32 Cb 0.32 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3gou h THR 32 CO 0.00 0.40 0.42 -0.26 0.37 0.00 0.00 175.52 176.45 3gou h PHE 33 N 0.65 0.92 -0.05 3.16 0.04 -0.84 0.18 116.94 120.99 3gou h PHE 33 Ca 0.11 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.70 3gou h PHE 33 Cb 0.61 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.47 3gou h PHE 33 CO 0.05 0.62 -0.67 1.96 -0.60 0.00 0.00 178.31 179.67 3gou h GLN 34 N 0.95 0.55 0.01 1.51 4.20 -1.43 -3.24 115.11 117.66 3gou h GLN 34 Ca 0.25 -0.52 -0.27 0.00 0.06 0.00 0.00 58.65 58.18 3gou h GLN 34 Cb -0.03 0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.90 3gou h GLN 34 CO -0.05 1.15 -1.06 0.77 -0.67 0.00 0.00 178.83 178.97 3gou h SER 35 N 0.14 0.88 -3.71 1.46 0.02 -1.45 -3.39 113.55 107.49 3gou h SER 35 Ca -0.07 -0.72 -0.62 0.00 -0.84 0.00 0.00 61.79 59.54 3gou h SER 35 Cb 1.34 -0.27 -0.41 0.00 0.14 0.00 0.00 62.40 63.20 3gou h SER 35 CO 0.13 1.52 -0.66 -0.36 -1.14 0.00 0.00 176.83 176.32 3gou s PHE 36 N -3.27 2.85 0.22 3.45 0.40 0.62 -4.93 117.98 117.32 3gou s PHE 36 Ca -0.09 -2.97 0.36 0.00 -0.60 0.00 0.00 56.93 53.62 3gou s PHE 36 Cb 0.07 -2.44 1.68 0.00 0.51 0.00 0.00 43.02 42.84 3gou s PHE 36 CO 0.92 -0.71 2.08 -1.35 0.70 0.00 0.00 175.22 176.86 3gou h PRO 37 N 6.23 0.00 -0.32 0.24 0.11 -1.76 -0.90 132.00 135.59 3gou h PRO 37 Ca 0.02 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.21 3gou h PRO 37 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3gou h PRO 37 CO 0.62 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.65 3gou h THR 38 N 0.00 0.85 0.00 -1.15 1.03 -1.91 -3.06 112.91 108.66 3gou h THR 38 Ca 0.00 -0.01 -0.08 0.00 -0.01 0.00 0.00 66.41 66.31 3gou h THR 38 Cb 0.31 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.20 3gou h THR 38 CO 0.00 0.01 -0.37 0.71 -0.01 0.00 0.00 175.52 175.86 3gou h THR 39 N 0.03 0.63 0.00 0.00 1.35 -1.48 -3.26 112.91 110.18 3gou h THR 39 Ca 0.15 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3gou h THR 39 Cb 0.58 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3gou h THR 39 CO -0.01 0.36 0.00 0.29 -0.25 0.00 0.00 175.52 175.91 3gou n LYS 40 N -3.20 0.09 0.01 4.72 5.02 -1.16 -2.29 118.16 121.35 3gou n LYS 40 Ca 0.02 0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 3gou n LYS 40 Cb 0.67 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.75 3gou n LYS 40 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3gou n THR 41 N -1.35 0.15 1.05 -0.18 -1.04 -1.23 -1.88 114.28 109.80 3gou n THR 41 Ca 0.03 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.17 3gou n THR 41 Cb 0.08 -0.56 0.34 0.00 -1.82 0.00 0.00 70.33 68.36 3gou n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3gou n TYR 42 N -1.57 0.00 -2.57 -1.42 4.01 -0.97 -4.28 117.16 110.35 3gou n TYR 42 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 3gou n TYR 42 Cb 0.33 -0.27 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3gou n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3gou n PHE 43 N -1.38 3.09 0.31 -0.72 3.01 -0.79 -4.82 117.46 116.16 3gou n PHE 43 Ca 0.07 -3.19 0.20 0.00 1.01 0.00 0.00 57.45 55.55 3gou n PHE 43 Cb 0.33 -0.18 0.99 0.00 -0.01 0.00 0.00 39.48 40.61 3gou n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gou h PRO 44 N 2.70 0.00 -0.07 -1.08 0.13 -1.75 -1.90 132.00 130.03 3gou h PRO 44 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3gou h PRO 44 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3gou h PRO 44 CO 0.79 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.17 3gou n HIS 45 N -3.05 0.07 -4.02 1.56 1.44 -1.26 -4.88 115.22 105.09 3gou n HIS 45 Ca -0.01 -0.04 -0.33 0.00 -2.01 0.00 0.00 57.72 55.33 3gou n HIS 45 Cb 0.16 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 3gou n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3gou s PHE 46 N -1.93 3.38 -0.06 -1.40 2.99 -0.72 -5.07 117.98 115.18 3gou s PHE 46 Ca 0.35 0.26 -0.30 0.00 0.00 0.00 0.00 56.93 57.24 3gou s PHE 46 Cb 0.20 -1.77 -0.03 0.00 0.00 0.00 0.00 43.02 41.43 3gou s PHE 46 CO 0.31 0.59 1.09 0.34 -0.00 0.00 0.00 175.22 177.54 3gou s ASP 47 N -1.86 7.18 -0.01 1.36 -1.08 -1.26 -4.90 116.67 116.10 3gou s ASP 47 Ca 0.25 1.69 0.14 0.00 -0.52 0.00 0.00 52.55 54.11 3gou s ASP 47 Cb -0.12 -2.56 0.42 0.00 -1.46 0.00 0.00 42.92 39.20 3gou s ASP 47 CO 0.16 -0.47 1.35 0.18 0.52 0.00 0.00 175.17 176.92 3gou n LEU 48 N 4.82 3.31 -3.46 -1.34 4.77 -1.26 -4.48 117.00 119.36 3gou n LEU 48 Ca 0.09 -2.06 -0.33 0.00 -0.03 0.00 0.00 56.01 53.69 3gou n LEU 48 Cb 0.48 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3gou n LEU 48 CO 0.53 0.80 -1.62 -1.20 -1.33 0.00 0.00 177.39 174.58 3gou n SER 49 N 0.80 -3.54 -0.32 -1.43 7.64 -1.26 -4.86 113.62 110.64 3gou n SER 49 Ca 0.16 0.06 0.30 0.00 1.01 0.00 0.00 58.87 60.40 3gou n SER 49 Cb 0.51 -0.51 0.65 0.00 -1.01 0.00 0.00 64.21 63.85 3gou n SER 49 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3gou h PRO 50 N -0.87 0.15 -0.14 1.43 0.13 -2.05 -3.22 132.00 127.44 3gou h PRO 50 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3gou h PRO 50 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3gou h PRO 50 CO 0.19 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 3gou n GLY 51 N -1.64 1.27 3.66 1.56 0.00 -1.26 -5.07 105.19 103.71 3gou n GLY 51 Ca 0.26 -0.26 -0.63 0.00 0.00 0.00 0.00 46.02 45.39 3gou n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gou n SER 52 N 0.34 1.01 0.04 1.61 2.88 -1.22 -4.79 113.62 113.49 3gou n SER 52 Ca 0.07 1.16 -0.05 0.00 -1.33 0.00 0.00 58.87 58.72 3gou n SER 52 Cb 0.30 -0.95 0.14 0.00 -0.75 0.00 0.00 64.21 62.96 3gou n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gou h ALA 53 N 4.62 0.93 0.06 -1.46 0.00 -1.95 -0.49 119.26 120.98 3gou h ALA 53 Ca -0.47 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 53.99 3gou h ALA 53 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gou h ALA 53 CO 0.86 0.64 -0.03 1.96 0.00 0.00 0.00 179.25 182.68 3gou h GLN 54 N 0.34 -0.07 -0.76 0.00 4.20 -1.88 0.53 115.11 117.46 3gou h GLN 54 Ca 0.03 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3gou h GLN 54 Cb 0.91 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3gou h GLN 54 CO 0.08 -0.00 0.48 0.28 -0.67 0.00 0.00 178.83 179.00 3gou h VAL 55 N -0.13 1.13 -0.19 -0.54 2.07 -1.76 0.82 116.25 117.66 3gou h VAL 55 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3gou h VAL 55 Cb 0.11 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3gou h VAL 55 CO 0.01 0.17 0.11 0.11 0.02 0.00 0.00 177.57 178.00 3gou h LYS 56 N 0.95 0.22 -0.25 1.57 6.56 -0.81 -2.53 116.57 122.28 3gou h LYS 56 Ca 0.30 -0.01 -0.18 0.00 -1.06 0.00 0.00 60.65 59.69 3gou h LYS 56 Cb -0.01 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 3gou h LYS 56 CO -0.10 0.15 -0.54 0.00 -2.06 0.00 0.00 179.45 176.90 3gou h ALA 57 N 1.08 0.41 -0.93 3.86 0.00 0.73 -2.99 119.26 121.41 3gou h ALA 57 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3gou h ALA 57 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3gou h ALA 57 CO -0.03 0.62 0.61 1.25 0.00 0.00 0.00 179.25 181.70 3gou h HIS 58 N 0.57 1.16 -0.35 0.00 -0.00 0.66 -2.63 115.15 114.57 3gou h HIS 58 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3gou h HIS 58 Cb 1.15 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 28.15 3gou h HIS 58 CO 0.08 0.70 0.14 0.78 -0.00 0.00 0.00 177.93 179.63 3gou h GLY 59 N 1.23 0.52 1.00 5.26 0.00 -1.31 -0.11 103.07 109.65 3gou h GLY 59 Ca 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3gou h GLY 59 CO -0.09 0.22 0.36 0.50 0.00 0.00 0.00 176.54 177.53 3gou h LYS 60 N 0.48 0.90 0.00 4.80 1.57 -1.36 0.18 116.57 123.14 3gou h LYS 60 Ca 0.12 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3gou h LYS 60 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3gou h LYS 60 CO -0.01 0.67 -0.40 0.87 -0.57 0.00 0.00 179.45 180.01 3gou h LYS 61 N 0.89 0.00 -0.00 3.15 1.57 -0.97 0.16 116.57 121.36 3gou h LYS 61 Ca 0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 3gou h LYS 61 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3gou h LYS 61 CO -0.04 0.40 -0.62 0.28 -0.57 0.00 0.00 179.45 178.90 3gou h VAL 62 N 0.00 1.42 0.00 0.50 2.07 -0.92 -2.63 116.25 116.68 3gou h VAL 62 Ca -0.00 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 3gou h VAL 62 Cb 0.80 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3gou h VAL 62 CO 0.05 0.61 -0.17 0.00 0.02 0.00 0.00 177.57 178.08 3gou h ALA 63 N 0.33 1.65 -0.15 1.67 0.00 -0.39 -2.25 119.26 120.12 3gou h ALA 63 Ca -0.08 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 3gou h ALA 63 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gou h ALA 63 CO 0.12 0.21 -0.46 -0.44 0.00 0.00 0.00 179.25 178.68 3gou h ASP 64 N 0.00 0.67 -0.91 0.00 3.32 -0.68 -2.87 116.42 115.95 3gou h ASP 64 Ca -0.00 -0.59 0.09 0.00 0.02 0.00 0.00 57.03 56.54 3gou h ASP 64 Cb 0.31 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 3gou h ASP 64 CO 0.02 1.15 0.56 0.00 -1.72 0.00 0.00 179.24 179.25 3gou h ALA 65 N 0.54 1.31 -0.05 3.45 0.00 -1.07 -1.09 119.26 122.34 3gou h ALA 65 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3gou h ALA 65 Cb 1.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3gou h ALA 65 CO 0.10 0.22 -0.57 -0.07 0.00 0.00 0.00 179.25 178.93 3gou h LEU 66 N 0.94 0.17 -0.58 0.00 3.38 -1.38 -1.39 115.31 116.45 3gou h LEU 66 Ca 0.43 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 3gou h LEU 66 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3gou h LEU 66 CO -0.23 0.70 -0.46 0.74 0.09 0.00 0.00 178.44 179.28 3gou h THR 67 N 0.11 1.31 -0.69 0.22 2.02 -1.19 -0.86 112.91 113.84 3gou h THR 67 Ca -0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3gou h THR 67 Cb 1.04 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 3gou h THR 67 CO 0.08 0.52 0.44 0.74 0.37 0.00 0.00 175.52 177.68 3gou h THR 68 N 0.48 1.18 -0.33 3.16 2.02 -0.82 -1.86 112.91 116.74 3gou h THR 68 Ca 0.03 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 3gou h THR 68 Cb 0.99 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3gou h THR 68 CO 0.09 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 176.03 3gou h ALA 69 N 1.55 0.46 -0.76 6.16 0.00 -0.91 -2.67 119.26 123.09 3gou h ALA 69 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gou h ALA 69 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3gou h ALA 69 CO -0.05 0.34 0.44 0.28 0.00 0.00 0.00 179.25 180.27 3gou h VAL 70 N 0.44 1.22 0.00 0.00 2.07 -1.03 -2.42 116.25 116.54 3gou h VAL 70 Ca 0.08 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3gou h VAL 70 Cb 0.65 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3gou h VAL 70 CO 0.04 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3gou n ALA 71 N -2.35 1.48 -3.18 1.67 0.00 -0.71 -3.88 120.51 113.54 3gou n ALA 71 Ca 0.07 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.42 3gou n ALA 71 Cb 0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 3gou n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gou n HIS 72 N -2.11 0.05 0.22 0.00 8.25 -0.92 -4.98 115.22 115.73 3gou n HIS 72 Ca 0.01 -3.75 0.10 0.00 -0.26 0.00 0.00 57.72 53.82 3gou n HIS 72 Cb 0.17 -0.36 0.47 0.00 1.12 0.00 0.00 29.99 31.38 3gou n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gou h LEU 73 N 3.09 0.00 -1.06 2.41 3.38 -1.64 -2.41 115.31 119.08 3gou h LEU 73 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gou h LEU 73 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3gou h LEU 73 CO 0.49 0.23 0.00 0.47 0.09 0.00 0.00 178.44 179.72 3gou n ASP 74 N -3.42 1.58 -3.04 -0.43 9.92 -1.26 -4.34 116.55 115.57 3gou n ASP 74 Ca -0.00 -1.75 -0.07 0.00 -0.53 0.00 0.00 54.79 52.44 3gou n ASP 74 Cb 0.42 -0.12 -0.02 0.00 -0.64 0.00 0.00 41.12 40.76 3gou n ASP 74 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gou s ASP 75 N -1.45 -0.82 -0.06 -2.24 2.15 -0.91 -4.97 116.67 108.35 3gou s ASP 75 Ca 0.30 -1.60 -0.15 0.00 0.43 0.00 0.00 52.55 51.53 3gou s ASP 75 Cb 0.16 1.49 -0.30 0.00 -0.30 0.00 0.00 42.92 43.97 3gou s ASP 75 CO 0.24 -0.12 0.68 -0.07 -0.17 0.00 0.00 175.17 175.73 3gou h LEU 76 N 5.90 0.52 -0.48 -1.34 3.38 -1.74 -3.26 115.31 118.28 3gou h LEU 76 Ca 0.08 -0.90 0.10 0.00 0.09 0.00 0.00 57.88 57.24 3gou h LEU 76 Cb 1.10 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 3gou h LEU 76 CO 0.10 1.65 -0.27 -0.65 0.09 0.00 0.00 178.44 179.36 3gou h PRO 77 N -0.14 -0.15 -0.14 1.13 0.11 -1.93 0.74 132.00 131.61 3gou h PRO 77 Ca -0.29 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.66 3gou h PRO 77 Cb 1.89 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 33.03 3gou h PRO 77 CO 0.13 -0.10 -0.64 0.78 -0.21 0.00 0.00 178.00 177.96 3gou h GLY 78 N -0.16 0.56 1.64 -0.55 0.00 -1.99 -2.82 103.07 99.75 3gou h GLY 78 Ca 0.22 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3gou h GLY 78 CO -0.58 0.64 0.03 0.00 0.00 0.00 0.00 176.54 176.63 3gou h ALA 79 N 0.92 1.48 -0.38 3.60 0.00 -1.36 -3.05 119.26 120.47 3gou h ALA 79 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gou h ALA 79 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gou h ALA 79 CO 0.12 0.37 0.00 1.28 0.00 0.00 0.00 179.25 181.02 3gou n LEU 80 N -4.33 3.50 -0.31 0.00 4.77 0.16 -4.73 117.00 116.06 3gou n LEU 80 Ca 0.01 -2.36 0.04 0.00 -0.03 0.00 0.00 56.01 53.67 3gou n LEU 80 Cb 0.21 -0.38 0.18 0.00 -2.33 0.00 0.00 43.42 41.10 3gou n LEU 80 CO 0.38 0.74 1.16 0.77 -1.33 0.00 0.00 177.39 179.10 3gou h SER 81 N 2.32 0.72 0.06 -1.43 4.64 -1.39 -0.63 113.55 117.85 3gou h SER 81 Ca 0.00 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3gou h SER 81 Cb 1.05 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3gou h SER 81 CO 0.10 0.40 -0.17 0.00 -0.87 0.00 0.00 176.83 176.29 3gou h ALA 82 N 1.47 1.48 0.00 5.18 0.00 -1.85 -2.27 119.26 123.27 3gou h ALA 82 Ca 0.42 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3gou h ALA 82 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3gou h ALA 82 CO -0.26 0.37 -0.84 -0.07 0.00 0.00 0.00 179.25 178.46 3gou h LEU 83 N 0.20 0.00 -0.30 0.00 3.38 -1.58 -2.82 115.31 114.19 3gou h LEU 83 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3gou h LEU 83 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3gou h LEU 83 CO 0.03 0.78 0.11 0.28 0.09 0.00 0.00 178.44 179.72 3gou h SER 84 N 0.00 0.41 -0.28 -0.43 0.02 -0.65 -0.17 113.55 112.44 3gou h SER 84 Ca -0.03 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3gou h SER 84 Cb 1.61 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 3gou h SER 84 CO 0.10 0.48 0.19 0.44 -1.14 0.00 0.00 176.83 176.89 3gou h ASP 85 N 0.33 0.33 -0.36 3.07 3.45 -1.51 -1.88 116.42 119.85 3gou h ASP 85 Ca 0.10 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 3gou h ASP 85 Cb 0.20 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 3gou h ASP 85 CO -0.01 0.25 0.07 0.25 -1.57 0.00 0.00 179.24 178.23 3gou h LEU 86 N 0.38 0.57 0.00 1.55 7.12 -1.26 0.69 115.31 124.35 3gou h LEU 86 Ca 0.10 -0.25 -0.05 0.00 0.13 0.00 0.00 57.88 57.82 3gou h LEU 86 Cb -0.03 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 39.94 3gou h LEU 86 CO -0.02 0.67 -0.32 0.45 -0.13 0.00 0.00 178.44 179.09 3gou h HIS 87 N 0.44 0.00 0.00 1.25 3.86 -1.06 -0.49 115.15 119.14 3gou h HIS 87 Ca 0.11 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.97 3gou h HIS 87 Cb 0.34 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 3gou h HIS 87 CO 0.02 0.21 -2.05 0.00 0.86 0.00 0.00 177.93 176.97 3gou n ALA 88 N -2.16 1.06 0.09 2.45 0.00 -0.71 -1.04 120.51 120.20 3gou n ALA 88 Ca 0.02 -0.94 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 3gou n ALA 88 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 3gou n ALA 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3gou h TYR 89 N -1.00 0.55 0.00 0.00 0.05 0.21 -3.22 116.97 113.56 3gou h TYR 89 Ca -0.52 -0.36 -0.31 0.00 0.05 0.00 0.00 58.73 57.58 3gou h TYR 89 Cb 1.44 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 39.09 3gou h TYR 89 CO -0.11 1.24 -2.01 1.17 -1.05 0.00 0.00 178.16 177.40 3gou n LYS 90 N -3.62 0.48 0.12 4.88 4.81 -1.16 -4.63 118.16 119.04 3gou n LYS 90 Ca -0.08 0.21 0.05 0.00 -0.87 0.00 0.00 58.31 57.62 3gou n LYS 90 Cb 0.95 -1.32 0.02 0.00 0.02 0.00 0.00 35.03 34.70 3gou n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3gou h LEU 91 N -0.84 0.00 -2.78 3.14 3.38 -1.27 -3.48 115.31 113.46 3gou h LEU 91 Ca -0.48 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 3gou h LEU 91 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3gou h LEU 91 CO -0.29 0.35 -0.93 0.54 0.09 0.00 0.00 178.44 178.19 3gou n ARG 92 N -3.02 -1.82 -2.35 1.13 1.74 -1.04 -4.88 116.66 106.43 3gou n ARG 92 Ca -0.01 0.36 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 3gou n ARG 92 Cb 0.69 -3.99 -0.03 0.00 -1.02 0.00 0.00 32.46 28.11 3gou n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gou s VAL 93 N -3.71 3.32 0.21 1.55 1.01 -0.20 -4.98 120.40 117.60 3gou s VAL 93 Ca 0.28 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 3gou s VAL 93 Cb -0.11 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 3gou s VAL 93 CO 0.90 0.26 1.38 -0.62 0.00 0.00 0.00 175.10 177.01 3gou s ASP 94 N -0.40 6.78 0.49 3.32 -1.08 -1.26 -4.87 116.67 119.66 3gou s ASP 94 Ca 0.49 2.51 0.20 0.00 -0.52 0.00 0.00 52.55 55.23 3gou s ASP 94 Cb -0.34 -2.61 1.08 0.00 -1.46 0.00 0.00 42.92 39.58 3gou s ASP 94 CO 0.42 -0.62 1.56 -0.65 0.52 0.00 0.00 175.17 176.40 3gou h PRO 95 N 5.39 0.00 0.00 4.34 0.11 -1.98 -1.16 132.00 138.70 3gou h PRO 95 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gou h PRO 95 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gou h PRO 95 CO 0.79 0.00 -0.45 0.28 -0.21 0.00 0.00 178.00 178.41 3gou h VAL 96 N 0.00 0.00 0.00 3.15 2.07 -2.01 -3.26 116.25 116.20 3gou h VAL 96 Ca 0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3gou h VAL 96 Cb 0.69 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3gou h VAL 96 CO 0.00 0.00 -0.36 0.59 0.02 0.00 0.00 177.57 177.82 3gou n ASN 97 N -2.80 0.65 0.06 0.57 4.13 -0.44 -2.51 115.26 114.93 3gou n ASN 97 Ca 0.02 0.26 -0.05 0.00 1.68 0.00 0.00 54.58 56.49 3gou n ASN 97 Cb 0.52 -0.19 0.14 0.00 -1.54 0.00 0.00 39.78 38.71 3gou n ASN 97 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3gou h PHE 98 N 0.00 0.41 -0.34 3.10 0.04 -1.68 -0.75 116.94 117.71 3gou h PHE 98 Ca 0.00 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.47 3gou h PHE 98 Cb 0.70 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 3gou h PHE 98 CO 0.00 0.78 -0.43 0.87 -0.60 0.00 0.00 178.31 178.93 3gou h LYS 99 N 0.26 0.86 0.06 1.51 1.57 -1.66 -0.20 116.57 118.97 3gou h LYS 99 Ca 0.01 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3gou h LYS 99 Cb 1.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3gou h LYS 99 CO 0.09 1.11 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.98 3gou h LEU 100 N 0.69 -0.07 -1.26 2.94 3.38 -1.34 -1.95 115.31 117.69 3gou h LEU 100 Ca 0.05 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3gou h LEU 100 Cb 1.01 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3gou h LEU 100 CO 0.10 0.37 0.22 0.25 0.09 0.00 0.00 178.44 179.47 3gou h LEU 101 N -0.53 0.66 0.17 1.67 5.85 -1.20 -2.75 115.31 119.18 3gou h LEU 101 Ca -0.01 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3gou h LEU 101 Cb 0.46 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3gou h LEU 101 CO 0.01 0.58 -0.08 0.28 -0.34 0.00 0.00 178.44 178.90 3gou h SER 102 N 0.73 -0.19 -0.59 1.25 0.02 -0.98 0.18 113.55 113.96 3gou h SER 102 Ca 0.18 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 3gou h SER 102 Cb 0.12 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.60 3gou h SER 102 CO -0.02 -0.07 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.73 3gou h HIS 103 N -0.29 -0.27 0.00 3.45 -0.00 -1.33 -1.56 115.15 115.15 3gou h HIS 103 Ca -0.02 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 3gou h HIS 103 Cb 0.23 0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 3gou h HIS 103 CO -0.05 -0.24 -0.27 0.00 -0.00 0.00 0.00 177.93 177.38 3gou h LEU 105 N 0.00 0.85 -0.24 0.00 5.85 -0.21 -0.96 115.31 120.59 3gou h LEU 105 Ca -0.00 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 3gou h LEU 105 Cb 0.49 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3gou h LEU 105 CO 0.03 1.09 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.12 3gou h LEU 106 N 0.68 0.44 -0.50 2.25 3.38 -0.44 -2.77 115.31 118.35 3gou h LEU 106 Ca 0.07 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3gou h LEU 106 Cb 0.86 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3gou h LEU 106 CO 0.08 0.69 0.23 0.58 0.09 0.00 0.00 178.44 180.11 3gou h VAL 107 N 0.19 0.92 -0.56 1.22 2.07 -1.08 -2.32 116.25 116.70 3gou h VAL 107 Ca 0.06 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.53 3gou h VAL 107 Cb 0.48 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 3gou h VAL 107 CO 0.02 0.08 0.11 0.74 0.02 0.00 0.00 177.57 178.54 3gou h THR 108 N 0.45 0.67 -0.17 2.57 2.02 -1.00 -1.41 112.91 116.05 3gou h THR 108 Ca 0.23 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.18 3gou h THR 108 Cb 0.17 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3gou h THR 108 CO -0.18 0.04 -0.51 -0.07 0.37 0.00 0.00 175.52 175.17 3gou h LEU 109 N 0.24 0.50 -0.04 2.58 4.07 -1.30 -2.73 115.31 118.62 3gou h LEU 109 Ca 0.29 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3gou h LEU 109 Cb 0.41 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3gou h LEU 109 CO -0.38 0.92 0.01 0.00 -1.08 0.00 0.00 178.44 177.91 3gou h ALA 110 N 1.10 0.04 -0.82 1.53 0.00 -0.83 0.33 119.26 120.61 3gou h ALA 110 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3gou h ALA 110 Cb 1.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3gou h ALA 110 CO 0.09 -0.47 0.54 0.00 0.00 0.00 0.00 179.25 179.40 3gou n HIS 112 N -4.50 0.00 -3.61 0.00 -0.00 -1.05 -4.73 115.22 101.33 3gou n HIS 112 Ca 0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.58 3gou n HIS 112 Cb 0.28 -0.78 -0.11 0.00 -0.00 0.00 0.00 29.99 29.38 3gou n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3gou n HIS 113 N -2.53 1.31 0.18 4.41 8.25 0.11 -4.95 115.22 121.99 3gou n HIS 113 Ca -0.20 -3.83 0.02 0.00 -0.26 0.00 0.00 57.72 53.45 3gou n HIS 113 Cb 0.90 -0.23 0.32 0.00 1.12 0.00 0.00 29.99 32.10 3gou n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gou h PRO 114 N 5.31 0.00 0.05 -0.41 0.13 -1.80 -2.34 132.00 132.93 3gou h PRO 114 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3gou h PRO 114 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3gou h PRO 114 CO 0.57 0.43 -0.02 1.15 -0.23 0.00 0.00 178.00 179.89 3gou h THR 115 N 0.00 1.13 -0.17 1.56 2.02 -1.92 -3.34 112.91 112.18 3gou h THR 115 Ca -0.00 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 3gou h THR 115 Cb 0.80 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3gou h THR 115 CO 0.06 0.35 -0.08 -0.33 0.37 0.00 0.00 175.52 175.88 3gou h GLU 116 N -0.93 0.26 -2.86 6.66 3.07 -1.97 -3.33 114.58 115.48 3gou h GLU 116 Ca -0.01 -0.05 -0.30 0.00 -0.50 0.00 0.00 59.36 58.50 3gou h GLU 116 Cb 0.62 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3gou h GLU 116 CO 0.01 0.36 1.52 0.34 -1.40 0.00 0.00 179.01 179.83 3gou n PHE 117 N -4.31 0.87 -1.25 4.33 7.35 -0.88 -4.73 117.46 118.83 3gou n PHE 117 Ca -0.00 -1.67 -0.31 0.00 -0.76 0.00 0.00 57.45 54.71 3gou n PHE 117 Cb 0.24 -1.56 0.10 0.00 0.35 0.00 0.00 39.48 38.61 3gou n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3gou s THR 118 N 2.43 3.19 0.24 -2.13 -4.23 -1.25 -4.80 115.64 109.08 3gou s THR 118 Ca 0.46 0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 3gou s THR 118 Cb 0.16 -2.87 0.29 0.00 1.34 0.00 0.00 72.50 71.42 3gou s THR 118 CO -0.02 -0.51 1.62 -0.65 -0.54 0.00 0.00 174.62 174.52 3gou h PRO 119 N -1.22 0.04 -0.44 3.99 0.11 -1.97 0.13 132.00 132.64 3gou h PRO 119 Ca -0.45 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3gou h PRO 119 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3gou h PRO 119 CO 0.52 0.03 -0.12 0.00 -0.21 0.00 0.00 178.00 178.22 3gou h ALA 120 N 1.72 0.97 0.00 -0.75 0.00 -1.95 -0.66 119.26 118.59 3gou h ALA 120 Ca 0.38 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3gou h ALA 120 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3gou h ALA 120 CO -0.72 0.61 -0.67 0.28 0.00 0.00 0.00 179.25 178.75 3gou h VAL 121 N 0.72 1.40 -0.04 0.00 2.07 -1.77 -2.38 116.25 116.25 3gou h VAL 121 Ca 0.12 -2.37 -0.16 0.00 0.82 0.00 0.00 66.70 65.11 3gou h VAL 121 Cb 0.61 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3gou h VAL 121 CO 0.04 0.66 -0.69 -0.74 0.02 0.00 0.00 177.57 176.86 3gou h HIS 122 N 0.00 0.25 0.06 1.57 6.17 -0.25 -1.38 115.15 121.57 3gou h HIS 122 Ca -0.01 -0.11 -0.27 0.00 0.71 0.00 0.00 60.37 60.70 3gou h HIS 122 Cb 1.25 -0.04 0.02 0.00 2.52 0.00 0.00 27.41 31.16 3gou h HIS 122 CO 0.00 0.81 -1.12 0.00 0.71 0.00 0.00 177.93 178.34 3gou h ALA 123 N 1.16 0.16 -0.42 5.26 0.00 -1.03 -2.75 119.26 121.63 3gou h ALA 123 Ca -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 3gou h ALA 123 Cb 1.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3gou h ALA 123 CO 0.10 0.78 0.10 0.77 0.00 0.00 0.00 179.25 181.00 3gou h SER 124 N 0.25 0.63 -0.61 0.00 0.02 -1.27 0.03 113.55 112.61 3gou h SER 124 Ca -0.13 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3gou h SER 124 Cb 1.78 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 64.12 3gou h SER 124 CO 0.20 0.70 0.39 -0.07 -1.14 0.00 0.00 176.83 176.92 3gou h LEU 125 N 0.54 0.70 -0.35 5.07 4.07 -1.37 -1.72 115.31 122.25 3gou h LEU 125 Ca 0.13 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.07 3gou h LEU 125 Cb 0.32 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 3gou h LEU 125 CO 0.00 0.52 0.22 -0.78 -1.08 0.00 0.00 178.44 177.32 3gou h ASP 126 N 0.82 0.37 -0.69 -0.43 -0.00 -1.14 0.46 116.42 115.81 3gou h ASP 126 Ca 0.22 -0.01 0.12 0.00 -0.00 0.00 0.00 57.03 57.36 3gou h ASP 126 Cb -0.08 -0.09 -0.08 0.00 -0.00 0.00 0.00 39.33 39.08 3gou h ASP 126 CO -0.05 0.27 0.27 0.11 -0.00 0.00 0.00 179.24 179.84 3gou h LYS 127 N 0.45 0.42 -0.46 0.28 1.57 -0.76 -1.04 116.57 117.03 3gou h LYS 127 Ca 0.13 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3gou h LYS 127 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3gou h LYS 127 CO -0.04 0.28 -0.17 0.35 -0.57 0.00 0.00 179.45 179.30 3gou h PHE 128 N 0.44 1.06 -0.16 -1.35 3.57 -0.45 0.28 116.94 120.33 3gou h PHE 128 Ca 0.37 -0.25 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 3gou h PHE 128 Cb 0.51 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3gou h PHE 128 CO -0.17 1.04 -0.36 0.74 -2.23 0.00 0.00 178.31 177.34 3gou h PHE 129 N 0.77 0.67 -0.83 0.41 0.05 -0.72 -1.70 116.94 115.60 3gou h PHE 129 Ca 0.11 -0.25 0.11 0.00 3.82 0.00 0.00 57.97 61.76 3gou h PHE 129 Cb 0.74 -0.12 -0.06 0.00 2.00 0.00 0.00 35.95 38.51 3gou h PHE 129 CO 0.05 0.99 0.54 0.00 -0.18 0.00 0.00 178.31 179.71 3gou h ALA 130 N 0.56 1.79 0.47 2.45 0.00 -1.02 -1.14 119.26 122.38 3gou h ALA 130 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gou h ALA 130 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gou h ALA 130 CO 0.08 0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.12 3gou h ALA 131 N 1.60 -0.63 -0.69 0.00 0.00 -0.78 0.50 119.26 119.26 3gou h ALA 131 Ca 0.40 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3gou h ALA 131 Cb 0.55 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 3gou h ALA 131 CO -0.16 -0.68 -0.26 0.28 0.00 0.00 0.00 179.25 178.43 3gou h VAL 132 N -0.97 0.20 -0.50 0.00 2.07 -1.22 -1.66 116.25 114.17 3gou h VAL 132 Ca -0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3gou h VAL 132 Cb 0.58 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3gou h VAL 132 CO 0.10 0.00 0.09 0.28 0.02 0.00 0.00 177.57 178.06 3gou h SER 133 N -0.07 0.80 -0.73 0.57 0.02 -1.12 -1.89 113.55 111.13 3gou h SER 133 Ca 0.30 -0.26 0.15 0.00 -0.84 0.00 0.00 61.79 61.14 3gou h SER 133 Cb 0.55 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 62.78 3gou h SER 133 CO -0.74 0.85 0.24 0.74 -1.14 0.00 0.00 176.83 176.77 3gou h THR 134 N 0.71 0.60 0.00 -2.27 2.02 0.55 -1.38 112.91 113.14 3gou h THR 134 Ca 0.15 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 3gou h THR 134 Cb 0.39 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3gou h THR 134 CO 0.01 0.06 -0.43 0.58 0.37 0.00 0.00 175.52 176.12 3gou h VAL 135 N 0.35 1.14 0.00 3.16 2.07 -0.90 -2.26 116.25 119.81 3gou h VAL 135 Ca 0.41 -1.54 -0.18 0.00 0.82 0.00 0.00 66.70 66.20 3gou h VAL 135 Cb 0.65 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3gou h VAL 135 CO -0.45 0.42 -0.87 -0.07 0.02 0.00 0.00 177.57 176.62 3gou h LEU 136 N 0.00 0.00 -0.03 2.57 3.38 -0.49 -2.95 115.31 117.78 3gou h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gou h LEU 136 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3gou h LEU 136 CO 0.06 0.87 -0.27 0.35 0.09 0.00 0.00 178.44 179.53 3gou n THR 137 N -3.47 0.00 0.00 0.22 -2.24 -0.62 -4.34 114.28 103.83 3gou n THR 137 Ca -0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3gou n THR 137 Cb 0.84 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3gou n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gou n SER 138 N -1.43 0.00 -1.32 3.42 3.41 -0.86 -1.38 113.62 115.46 3gou n SER 138 Ca 0.07 0.31 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 3gou n SER 138 Cb 0.33 -0.31 0.31 0.00 -0.26 0.00 0.00 64.21 64.29 3gou n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gou n LYS 139 N -1.28 2.72 -0.96 4.33 4.76 -1.26 -3.75 118.16 122.71 3gou n LYS 139 Ca 0.00 -2.54 -0.10 0.00 -2.87 0.00 0.00 58.31 52.79 3gou n LYS 139 Cb 0.10 -1.58 0.22 0.00 -1.84 0.00 0.00 35.03 31.93 3gou n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3gou n TYR 140 N 1.50 2.01 -0.52 2.13 4.02 -0.48 -4.95 117.16 120.88 3gou n TYR 140 Ca 0.24 -1.57 0.00 0.00 -0.01 0.00 0.00 57.90 56.56 3gou n TYR 140 Cb 0.62 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3gou n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72