#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nln n ILE 2 N 0.00 0.00 0.00 0.44 5.41 -1.26 -4.96 119.36 118.99 2nln n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2nln n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2nln n ILE 2 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2nln n THR 3 N 0.00 0.00 0.00 1.39 -2.24 -1.26 -4.77 114.28 107.40 2nln n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nln n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2nln n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2nln n ASP 4 N 0.02 0.00 -3.38 3.42 8.00 -1.26 -4.44 116.55 118.91 2nln n ASP 4 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 2nln n ASP 4 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2nln n ASP 4 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2nln s ILE 5 N 0.00 -0.05 -0.06 0.53 1.09 -1.26 -5.12 121.20 116.32 2nln s ILE 5 Ca 0.00 -1.58 -0.32 0.00 -1.10 0.00 0.00 60.65 57.66 2nln s ILE 5 Cb 0.00 -0.92 0.13 0.00 -1.06 0.00 0.00 42.46 40.61 2nln s ILE 5 CO 0.00 -0.84 1.34 -1.48 -0.10 0.00 0.00 174.94 173.86 2nln s LEU 6 N 1.01 -0.04 -0.18 2.97 -0.00 -1.26 -4.90 118.68 116.28 2nln s LEU 6 Ca 0.21 -0.08 -0.29 0.00 -0.00 0.00 0.00 54.13 53.97 2nln s LEU 6 Cb -0.15 1.24 -0.03 0.00 -0.00 0.00 0.00 46.19 47.25 2nln s LEU 6 CO -0.04 -0.18 1.60 -0.44 -0.00 0.00 0.00 176.35 177.29 2nln s SER 7 N -2.92 6.48 0.08 1.48 0.01 -1.26 -4.92 113.70 112.65 2nln s SER 7 Ca 0.14 1.78 -0.21 0.00 1.31 0.00 0.00 55.95 58.97 2nln s SER 7 Cb 0.06 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 2nln s SER 7 CO -0.05 -1.15 1.58 0.00 0.41 0.00 0.00 173.24 174.04 2nln h ALA 8 N 10.28 0.19 0.29 1.44 0.00 -1.99 -2.85 119.26 126.62 2nln h ALA 8 Ca -0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2nln h ALA 8 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2nln h ALA 8 CO 0.99 -0.19 -0.14 0.93 0.00 0.00 0.00 179.25 180.83 2nln h GLU 9 N 0.06 -0.38 -0.24 0.00 4.39 -2.01 -2.22 114.58 114.18 2nln h GLU 9 Ca 0.05 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.84 2nln h GLU 9 Cb 0.22 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2nln h GLU 9 CO -0.00 -0.16 0.32 -0.44 -1.16 0.00 0.00 179.01 177.57 2nln h ASP 10 N -0.53 0.00 -0.18 1.42 3.32 -1.95 -0.43 116.42 118.08 2nln h ASP 10 Ca -0.04 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2nln h ASP 10 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2nln h ASP 10 CO 0.07 0.00 -0.05 0.40 -1.72 0.00 0.00 179.24 177.93 2nln h ILE 11 N 0.00 1.29 0.03 0.35 2.04 -1.15 1.34 117.51 121.41 2nln h ILE 11 Ca 0.11 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.95 2nln h ILE 11 Cb 0.76 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2nln h ILE 11 CO -0.00 0.31 -0.08 0.00 0.00 0.00 0.00 178.15 178.37 2nln h ALA 12 N 0.71 -0.11 0.23 1.87 0.00 -0.97 0.60 119.26 121.59 2nln h ALA 12 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2nln h ALA 12 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2nln h ALA 12 CO 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 179.25 178.57 2nln h ALA 13 N 0.80 -0.30 -0.92 0.00 0.00 -1.40 1.25 119.26 118.69 2nln h ALA 13 Ca 0.02 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.02 2nln h ALA 13 Cb 0.19 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.97 2nln h ALA 13 CO -0.07 -0.56 0.43 0.00 0.00 0.00 0.00 179.25 179.05 2nln h ALA 14 N 0.21 1.53 0.16 0.00 0.00 0.20 0.99 119.26 122.34 2nln h ALA 14 Ca -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2nln h ALA 14 Cb 0.38 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2nln h ALA 14 CO 0.05 -0.35 -0.07 1.25 0.00 0.00 0.00 179.25 180.13 2nln h LEU 15 N 0.42 -0.18 0.00 0.00 6.46 0.50 -3.31 115.31 119.21 2nln h LEU 15 Ca 0.59 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 58.22 2nln h LEU 15 Cb 1.13 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2nln h LEU 15 CO -0.53 0.35 0.00 0.00 -0.62 0.00 0.00 178.44 177.64 2nln n GLN 16 N -4.90 0.18 0.00 1.25 3.00 0.43 -3.13 117.38 114.20 2nln n GLN 16 Ca -0.04 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2nln n GLN 16 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.89 2nln n GLN 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2nln n GLU 17 N -1.22 0.00 -0.09 -1.09 2.13 0.34 -4.33 120.64 116.38 2nln n GLU 17 Ca 0.05 0.30 0.08 0.00 0.66 0.00 0.00 57.16 58.24 2nln n GLU 17 Cb 0.07 -1.19 0.12 0.00 0.27 0.00 0.00 31.44 30.70 2nln n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nln n GLN 19 N 0.88 0.40 0.00 0.00 7.27 -1.18 -4.62 117.38 120.12 2nln n GLN 19 Ca 0.12 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2nln n GLN 19 Cb 0.42 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.75 2nln n GLN 19 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2nln n ASP 20 N 1.67 0.00 -2.04 1.69 9.92 -1.26 -4.92 116.55 121.60 2nln n ASP 20 Ca 0.13 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.25 2nln n ASP 20 Cb 0.36 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.69 2nln n ASP 20 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2nln n PRO 21 N -0.40 2.02 0.00 -0.24 -0.04 -1.26 -3.61 135.00 131.47 2nln n PRO 21 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2nln n PRO 21 Cb 0.00 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2nln n PRO 21 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2nln n ASP 22 N 2.28 0.00 -0.07 3.54 5.68 -1.26 -3.11 116.55 123.62 2nln n ASP 22 Ca 0.42 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.50 2nln n ASP 22 Cb 0.87 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.72 2nln n ASP 22 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2nln n THR 23 N 0.00 1.63 0.00 2.12 -2.24 -1.24 -4.79 114.28 109.76 2nln n THR 23 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2nln n THR 23 Cb 0.00 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 2nln n THR 23 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2nln n PHE 24 N -3.77 0.00 -0.01 4.78 3.72 -1.26 -4.99 117.46 115.94 2nln n PHE 24 Ca -0.38 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.85 2nln n PHE 24 Cb 0.93 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.36 2nln n PHE 24 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2nln h GLU 25 N 0.00 0.34 0.03 -1.08 4.57 -1.90 -3.25 114.58 113.29 2nln h GLU 25 Ca 0.00 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2nln h GLU 25 Cb 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2nln h GLU 25 CO 0.00 1.05 -0.01 -1.00 -1.18 0.00 0.00 179.01 177.86 2nln h PRO 26 N -0.22 -0.04 -0.66 0.92 0.13 -1.94 -3.30 132.00 126.90 2nln h PRO 26 Ca -0.06 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.11 2nln h PRO 26 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2nln h PRO 26 CO 0.10 -0.03 0.43 0.37 -0.23 0.00 0.00 178.00 178.64 2nln h GLN 27 N -0.28 0.73 -0.45 0.86 4.15 -1.84 -2.48 115.11 115.79 2nln h GLN 27 Ca -0.00 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 2nln h GLN 27 Cb 0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2nln h GLN 27 CO 0.01 0.48 -0.06 -0.22 -1.93 0.00 0.00 178.83 177.11 2nln h LYS 28 N 0.75 0.83 -0.52 1.69 1.63 -1.76 -2.34 116.57 116.86 2nln h LYS 28 Ca 0.27 -0.30 0.10 0.00 -0.85 0.00 0.00 60.65 59.88 2nln h LYS 28 Cb 0.12 -0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.60 2nln h LYS 28 CO -0.08 0.92 -0.06 0.35 -3.45 0.00 0.00 179.45 177.13 2nln h PHE 29 N 0.67 -0.15 0.47 1.91 3.04 -1.52 -2.39 116.94 118.97 2nln h PHE 29 Ca 0.12 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 2nln h PHE 29 Cb 0.58 0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2nln h PHE 29 CO 0.04 -0.18 -0.23 0.74 -2.02 0.00 0.00 178.31 176.67 2nln h PHE 30 N 0.05 -0.59 0.17 0.41 0.04 -1.39 -3.16 116.94 112.47 2nln h PHE 30 Ca 0.26 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 2nln h PHE 30 Cb 0.40 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2nln h PHE 30 CO -0.38 -0.26 -0.18 1.96 -0.60 0.00 0.00 178.31 178.84 2nln h GLN 31 N -0.99 -0.35 -0.23 1.51 1.08 -1.30 1.99 115.11 116.83 2nln h GLN 31 Ca -0.06 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2nln h GLN 31 Cb 0.59 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 28.02 2nln h GLN 31 CO 0.11 -0.23 -0.51 1.15 -0.95 0.00 0.00 178.83 178.40 2nln h THR 32 N -0.36 0.04 0.00 -0.54 2.02 -1.60 -3.00 112.91 109.47 2nln h THR 32 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2nln h THR 32 Cb 0.31 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2nln h THR 32 CO -0.03 0.00 -0.04 0.77 0.37 0.00 0.00 175.52 176.59 2nln h SER 33 N -0.50 0.00 0.00 4.18 4.64 -1.54 -3.45 113.55 116.88 2nln h SER 33 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2nln h SER 33 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2nln h SER 33 CO -0.48 0.46 -0.26 0.61 -0.87 0.00 0.00 176.83 176.28 2nln n GLY 34 N 1.79 -0.49 0.27 -0.77 0.00 0.24 -4.53 105.19 101.71 2nln n GLY 34 Ca -0.01 -0.09 0.25 0.00 0.00 0.00 0.00 46.02 46.18 2nln n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nln n LEU 35 N -3.02 0.25 -0.44 0.99 4.32 0.61 -1.83 117.00 117.88 2nln n LEU 35 Ca -0.04 1.38 0.33 0.00 -0.02 0.00 0.00 56.01 57.67 2nln n LEU 35 Cb 0.14 -0.66 0.52 0.00 -1.62 0.00 0.00 43.42 41.80 2nln n LEU 35 CO 0.06 -1.54 0.94 -1.54 -1.22 0.00 0.00 177.39 174.09 2nln n SER 36 N -4.91 0.02 0.00 -1.43 3.41 -1.13 -2.15 113.62 107.42 2nln n SER 36 Ca 0.30 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2nln n SER 36 Cb 1.03 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2nln n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2nln n LYS 37 N -3.33 4.75 -1.42 4.33 2.85 -0.76 -5.11 118.16 119.48 2nln n LYS 37 Ca 0.28 0.00 -0.55 0.00 -1.05 0.00 0.00 58.31 56.99 2nln n LYS 37 Cb 1.27 -0.54 -0.07 0.00 -0.65 0.00 0.00 35.03 35.04 2nln n LYS 37 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2nln n MET 38 N -0.23 0.00 -1.85 -1.58 0.00 -0.92 -4.96 117.12 107.59 2nln n MET 38 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 2nln n MET 38 Cb 0.00 -1.39 0.18 0.00 0.00 0.00 0.00 33.22 32.01 2nln n MET 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2nln s SER 39 N -0.08 3.09 0.18 7.83 0.15 -1.26 -4.91 113.70 118.69 2nln s SER 39 Ca 0.85 0.37 -0.13 0.00 0.70 0.00 0.00 55.95 57.74 2nln s SER 39 Cb -1.18 -0.49 0.08 0.00 -1.71 0.00 0.00 66.02 62.72 2nln s SER 39 CO 0.54 -2.76 1.78 0.00 1.20 0.00 0.00 173.24 174.01 2nln h ALA 40 N -1.66 0.76 -0.05 5.45 0.00 -1.95 -2.87 119.26 118.93 2nln h ALA 40 Ca -0.45 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.38 2nln h ALA 40 Cb 1.25 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2nln h ALA 40 CO 0.41 0.29 -0.54 0.77 0.00 0.00 0.00 179.25 180.18 2nln h SER 41 N 0.80 -1.67 0.07 0.00 0.02 -2.01 -0.45 113.55 110.30 2nln h SER 41 Ca 0.21 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 2nln h SER 41 Cb 0.06 0.64 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 2nln h SER 41 CO -0.03 -0.51 -0.07 0.06 -1.14 0.00 0.00 176.83 175.14 2nln h GLN 42 N -0.64 0.02 -0.75 3.45 3.07 -1.94 -1.52 115.11 116.80 2nln h GLN 42 Ca 0.02 -0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.79 2nln h GLN 42 Cb 0.71 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.22 2nln h GLN 42 CO -0.39 0.10 0.47 0.28 0.09 0.00 0.00 178.83 179.38 2nln h VAL 43 N 0.02 1.10 -0.98 1.86 2.07 -0.88 0.48 116.25 119.91 2nln h VAL 43 Ca 0.00 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 67.37 2nln h VAL 43 Cb 0.14 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2nln h VAL 43 CO 0.01 0.17 0.62 0.11 0.02 0.00 0.00 177.57 178.49 2nln h LYS 44 N 0.92 0.79 0.04 1.57 1.57 -0.35 0.75 116.57 121.87 2nln h LYS 44 Ca 0.30 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2nln h LYS 44 Cb 0.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2nln h LYS 44 CO -0.11 0.52 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.83 2nln h ASP 45 N 0.82 -0.05 -0.40 0.86 3.32 -0.87 -3.24 116.42 116.86 2nln h ASP 45 Ca 0.52 -0.48 0.08 0.00 0.02 0.00 0.00 57.03 57.17 2nln h ASP 45 Cb 0.74 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 2nln h ASP 45 CO -0.30 0.47 -0.21 0.40 -1.72 0.00 0.00 179.24 177.89 2nln h ILE 46 N -0.59 0.40 -0.94 0.35 5.03 0.13 0.82 117.51 122.72 2nln h ILE 46 Ca -0.01 0.00 0.39 0.00 -0.12 0.00 0.00 64.86 65.13 2nln h ILE 46 Cb 0.53 0.40 -0.17 0.00 -3.03 0.00 0.00 36.82 34.55 2nln h ILE 46 CO 0.01 0.00 0.49 0.33 -0.68 0.00 0.00 178.15 178.30 2nln n PHE 47 N -5.38 1.09 0.14 1.37 7.35 0.25 0.14 117.46 122.41 2nln n PHE 47 Ca 0.02 1.11 0.19 0.00 -0.76 0.00 0.00 57.45 58.02 2nln n PHE 47 Cb 0.29 -1.51 0.76 0.00 0.35 0.00 0.00 39.48 39.38 2nln n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2nln h ARG 48 N 0.00 0.00 -0.34 -4.13 2.47 -0.86 -1.63 114.38 109.89 2nln h ARG 48 Ca 0.79 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.59 2nln h ARG 48 Cb 2.09 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 30.32 2nln h ARG 48 CO -0.73 0.00 -0.27 0.27 0.56 0.00 0.00 179.97 179.80 2nln h PHE 49 N 0.00 -0.73 -0.27 3.04 -5.15 0.11 -3.41 116.94 110.53 2nln h PHE 49 Ca 0.15 0.05 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 2nln h PHE 49 Cb 0.97 0.37 0.00 0.00 0.22 0.00 0.00 35.95 37.52 2nln h PHE 49 CO 0.00 -0.34 0.00 0.44 -2.00 0.00 0.00 178.31 176.41 2nln n ILE 50 N -5.40 0.00 -0.27 0.88 -5.35 -0.61 -4.77 119.36 103.84 2nln n ILE 50 Ca 0.01 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.19 2nln n ILE 50 Cb 0.32 -0.48 0.29 0.00 -1.74 0.00 0.00 39.64 38.02 2nln n ILE 50 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2nln n ASP 51 N -0.09 -3.84 0.07 7.28 -0.08 -1.26 -4.83 116.55 113.79 2nln n ASP 51 Ca 0.00 -0.77 -0.22 0.00 -1.51 0.00 0.00 54.79 52.29 2nln n ASP 51 Cb 0.00 -1.04 -0.15 0.00 2.34 0.00 0.00 41.12 42.28 2nln n ASP 51 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 2nln h ASN 52 N -3.51 0.57 0.00 1.67 -1.24 -1.93 -3.44 115.58 107.70 2nln h ASN 52 Ca -0.43 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 55.66 2nln h ASN 52 Cb 1.33 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2nln h ASN 52 CO 0.28 1.60 0.00 -0.67 -1.29 0.00 0.00 177.43 177.35 2nln n ASP 53 N -3.88 0.00 0.00 1.15 2.03 -1.26 -5.02 116.55 109.57 2nln n ASP 53 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2nln n ASP 53 Cb 0.96 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 2nln n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nln n GLN 54 N 0.00 0.00 -2.06 -0.67 6.02 -1.26 -1.83 117.38 117.57 2nln n GLN 54 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2nln n GLN 54 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 2nln n GLN 54 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2nln n SER 55 N 1.01 -0.30 0.00 1.08 7.64 -1.26 -4.95 113.62 116.83 2nln n SER 55 Ca 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.80 2nln n SER 55 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2nln n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nln n GLY 56 N -0.60 3.31 3.69 0.23 0.00 -0.87 -5.01 105.19 105.94 2nln n GLY 56 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2nln n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nln s TYR 57 N -2.88 -0.32 0.06 1.61 2.02 -0.76 -4.97 117.35 112.10 2nln s TYR 57 Ca 0.00 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 2nln s TYR 57 Cb 0.00 0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 42.17 2nln s TYR 57 CO 0.00 -1.08 0.15 -0.51 -1.57 0.00 0.00 175.55 172.54 2nln s LEU 58 N -2.85 4.10 0.01 -1.29 1.43 -1.11 -4.48 118.68 114.49 2nln s LEU 58 Ca 0.07 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 2nln s LEU 58 Cb -0.04 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2nln s LEU 58 CO -0.01 0.18 0.16 -0.62 0.23 0.00 0.00 176.35 176.29 2nln s ASP 59 N -2.42 0.02 0.58 2.29 2.15 -1.26 0.15 116.67 118.18 2nln s ASP 59 Ca 0.32 -0.24 0.40 0.00 0.43 0.00 0.00 52.55 53.46 2nln s ASP 59 Cb -0.13 0.23 1.42 0.00 -0.30 0.00 0.00 42.92 44.14 2nln s ASP 59 CO 0.25 -0.43 1.49 1.23 -0.17 0.00 0.00 175.17 177.54 2nln h GLY 60 N 4.01 0.00 0.38 2.66 0.00 -1.89 0.78 103.07 109.01 2nln h GLY 60 Ca -0.31 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2nln h GLY 60 CO 0.43 0.00 -0.02 -0.55 0.00 0.00 0.00 176.54 176.40 2nln h ASP 61 N 0.00 -0.04 1.00 0.19 3.32 -1.95 -3.33 116.42 115.61 2nln h ASP 61 Ca 0.73 -0.56 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 2nln h ASP 61 Cb 3.32 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 42.85 2nln h ASP 61 CO -0.01 0.56 -0.84 -0.33 -1.72 0.00 0.00 179.24 176.90 2nln h GLU 62 N -0.67 0.00 -1.62 3.56 4.39 -0.04 -3.36 114.58 116.86 2nln h GLU 62 Ca -0.00 0.00 0.51 0.00 0.34 0.00 0.00 59.36 60.21 2nln h GLU 62 Cb 0.60 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.14 2nln h GLU 62 CO 0.01 0.84 1.10 -0.07 -1.16 0.00 0.00 179.01 179.73 2nln h LEU 63 N 0.00 0.12 -2.33 1.33 3.38 -0.58 0.72 115.31 117.95 2nln h LEU 63 Ca -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2nln h LEU 63 Cb 1.57 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 2nln h LEU 63 CO 0.11 -0.15 -0.04 0.11 0.09 0.00 0.00 178.44 178.57 2nln h LYS 64 N 0.01 0.00 0.00 1.13 1.57 -1.78 -1.73 116.57 115.77 2nln h LYS 64 Ca 0.90 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.68 2nln h LYS 64 Cb 3.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.50 2nln h LYS 64 CO -0.27 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.30 2nln n TYR 65 N -3.72 0.52 -0.18 -1.35 4.01 0.25 -3.71 117.16 112.99 2nln n TYR 65 Ca -0.03 0.18 -0.03 0.00 -0.16 0.00 0.00 57.90 57.86 2nln n TYR 65 Cb 0.13 -0.79 0.03 0.00 -0.31 0.00 0.00 39.34 38.41 2nln n TYR 65 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2nln h PHE 66 N 0.00 -0.53 -0.21 -0.72 3.57 -1.45 1.18 116.94 118.78 2nln h PHE 66 Ca 0.00 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2nln h PHE 66 Cb 0.48 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2nln h PHE 66 CO 0.00 -0.31 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.50 2nln h LEU 67 N -0.08 0.36 -0.57 0.59 3.38 -1.80 -2.30 115.31 114.89 2nln h LEU 67 Ca 0.26 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2nln h LEU 67 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2nln h LEU 67 CO -0.61 0.58 -0.17 1.56 0.09 0.00 0.00 178.44 179.89 2nln h GLN 68 N 0.33 0.97 0.16 1.13 4.20 -0.33 -1.20 115.11 120.38 2nln h GLN 68 Ca 0.06 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2nln h GLN 68 Cb 0.55 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2nln h GLN 68 CO 0.04 1.05 -0.08 0.87 -0.67 0.00 0.00 178.83 180.04 2nln h LYS 69 N 0.85 -0.21 -0.44 1.46 1.79 0.15 1.62 116.57 121.79 2nln h LYS 69 Ca 0.12 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2nln h LYS 69 Cb 0.73 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 2nln h LYS 69 CO 0.06 -0.05 0.29 0.35 -1.08 0.00 0.00 179.45 179.01 2nln h PHE 70 N -0.32 0.52 -0.07 -1.35 3.57 -1.34 -3.36 116.94 114.59 2nln h PHE 70 Ca -0.02 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 2nln h PHE 70 Cb 0.25 -0.18 -0.18 0.00 2.79 0.00 0.00 35.95 38.64 2nln h PHE 70 CO -0.03 0.32 -0.39 0.00 -2.23 0.00 0.00 178.31 175.98 2nln n GLN 71 N -4.47 1.33 -0.80 1.11 -0.00 -0.46 -5.04 117.38 109.05 2nln n GLN 71 Ca 0.04 -1.63 0.00 0.00 -0.00 0.00 0.00 57.00 55.40 2nln n GLN 71 Cb 0.09 0.08 0.00 0.00 -0.00 0.00 0.00 30.24 30.41 2nln n GLN 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2nln n SER 72 N -1.14 0.00 -0.20 2.61 7.64 0.55 -4.33 113.62 118.75 2nln n SER 72 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2nln n SER 72 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 2nln n SER 72 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nln n ASP 73 N 0.13 0.00 -4.76 6.43 9.92 -1.26 -5.02 116.55 121.99 2nln n ASP 73 Ca 0.00 -1.08 -0.40 0.00 -0.53 0.00 0.00 54.79 52.78 2nln n ASP 73 Cb 0.00 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.48 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nln n ALA 74 N 0.00 2.09 1.58 2.24 0.00 -1.26 -4.87 120.51 120.28 2nln n ALA 74 Ca 0.00 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.86 2nln n ALA 74 Cb 0.52 -2.39 0.80 0.00 0.00 0.00 0.00 19.45 18.37 2nln n ALA 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2nln n ARG 75 N -0.01 0.60 0.00 0.00 -4.01 -1.26 -4.88 116.66 107.10 2nln n ARG 75 Ca 0.04 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.86 2nln n ARG 75 Cb 0.41 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 2nln n ARG 75 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2nln n GLU 76 N -1.19 0.00 0.00 2.89 1.02 -1.26 -4.74 120.64 117.35 2nln n GLU 76 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2nln n GLU 76 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 2nln n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nln n LEU 77 N -0.33 1.51 0.00 -4.62 4.77 -1.26 -4.97 117.00 112.10 2nln n LEU 77 Ca 0.00 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 2nln n LEU 77 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2nln n LEU 77 CO 0.00 0.28 0.00 0.35 -1.33 0.00 0.00 177.39 176.69 2nln n THR 78 N 0.37 0.00 -0.09 -5.08 -2.24 -1.26 0.36 114.28 106.34 2nln n THR 78 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2nln n THR 78 Cb 0.28 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 2nln n THR 78 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2nln h GLU 79 N 0.00 0.51 0.13 -0.78 5.08 -1.93 -3.23 114.58 114.36 2nln h GLU 79 Ca 0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2nln h GLU 79 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2nln h GLU 79 CO 0.00 0.73 -0.06 1.03 -1.00 0.00 0.00 179.01 179.71 2nln h SER 80 N 0.26 -0.15 -0.79 1.42 0.87 -1.80 -3.34 113.55 110.02 2nln h SER 80 Ca 0.07 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.30 2nln h SER 80 Cb 0.55 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 2nln h SER 80 CO 0.03 0.40 0.46 -0.08 -0.53 0.00 0.00 176.83 177.11 2nln h GLU 81 N -0.78 0.78 -0.00 2.24 4.22 -1.10 0.22 114.58 120.15 2nln h GLU 81 Ca -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2nln h GLU 81 Cb 0.54 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2nln h GLU 81 CO 0.03 0.52 0.14 1.79 -2.18 0.00 0.00 179.01 179.31 2nln h THR 82 N 0.80 0.01 -0.84 0.32 1.35 -0.11 0.22 112.91 114.66 2nln h THR 82 Ca 0.36 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.28 2nln h THR 82 Cb 0.27 0.86 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 2nln h THR 82 CO -0.21 0.00 0.55 0.50 -0.25 0.00 0.00 175.52 176.11 2nln h LYS 83 N 0.00 0.93 0.17 4.72 3.64 -0.67 0.32 116.57 125.69 2nln h LYS 83 Ca 0.00 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2nln h LYS 83 Cb 0.28 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2nln h LYS 83 CO -0.00 0.62 -0.29 0.77 -2.27 0.00 0.00 179.45 178.28 2nln h SER 84 N 0.96 -0.81 -0.58 4.20 0.02 -0.65 1.03 113.55 117.72 2nln h SER 84 Ca 0.36 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.36 2nln h SER 84 Cb 0.18 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2nln h SER 84 CO -0.13 -0.39 0.24 -0.07 -1.14 0.00 0.00 176.83 175.34 2nln h LEU 85 N -0.54 0.83 0.05 5.07 3.38 -1.47 0.52 115.31 123.15 2nln h LEU 85 Ca 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2nln h LEU 85 Cb 0.54 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2nln h LEU 85 CO -0.13 0.75 -0.03 0.24 0.09 0.00 0.00 178.44 179.35 2nln h MET 86 N 0.89 -0.08 0.00 1.13 2.86 0.46 -1.10 114.93 119.09 2nln h MET 86 Ca 0.21 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2nln h MET 86 Cb 0.19 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2nln h MET 86 CO -0.02 -0.05 0.00 -0.25 1.06 0.00 0.00 176.91 177.65 2nln n ASP 87 N -5.13 0.00 0.19 1.22 9.92 0.35 -2.99 116.55 120.10 2nln n ASP 87 Ca -0.07 -0.21 0.05 0.00 -0.53 0.00 0.00 54.79 54.03 2nln n ASP 87 Cb 0.07 -0.17 0.36 0.00 -0.64 0.00 0.00 41.12 40.73 2nln n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nln h ALA 88 N 2.96 1.07 -3.00 2.24 0.00 0.45 -3.46 119.26 119.51 2nln h ALA 88 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2nln h ALA 88 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2nln h ALA 88 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.72 2nln n ALA 89 N -2.33 0.08 -2.53 0.00 0.00 -1.22 -4.62 120.51 109.88 2nln n ALA 89 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2nln n ALA 89 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2nln n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nln n ASP 90 N -0.37 4.96 -0.11 0.00 -0.08 -1.07 -4.66 116.55 115.22 2nln n ASP 90 Ca 0.00 -2.99 -0.19 0.00 -1.51 0.00 0.00 54.79 50.10 2nln n ASP 90 Cb 0.00 -1.58 -0.07 0.00 2.34 0.00 0.00 41.12 41.81 2nln n ASP 90 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2nln n ASN 91 N 5.61 1.93 0.18 1.67 0.23 -1.16 0.18 115.26 123.90 2nln n ASN 91 Ca 0.42 0.37 0.14 0.00 -0.53 0.00 0.00 54.58 54.97 2nln n ASN 91 Cb 0.41 -0.81 0.50 0.00 -2.08 0.00 0.00 39.78 37.80 2nln n ASN 91 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2nln h ASP 92 N -1.00 0.00 0.00 0.53 2.03 -1.87 -3.40 116.42 112.71 2nln h ASP 92 Ca -0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2nln h ASP 92 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2nln h ASP 92 CO -0.20 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.62 2nln n GLY 93 N 0.37 0.23 0.16 7.15 0.00 -1.26 -4.98 105.19 106.86 2nln n GLY 93 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2nln n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nln h ASP 94 N 0.00 -0.24 0.00 1.61 5.19 -1.82 -3.49 116.42 117.67 2nln h ASP 94 Ca 0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2nln h ASP 94 Cb 0.00 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2nln h ASP 94 CO 0.00 0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.02 2nln n GLY 95 N 0.69 1.30 3.66 2.75 0.00 0.13 -4.99 105.19 108.73 2nln n GLY 95 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2nln n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nln s LYS 96 N -0.37 2.37 -0.31 1.61 0.00 -0.98 -2.96 119.74 119.09 2nln s LYS 96 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 55.97 54.76 2nln s LYS 96 Cb 0.00 -2.28 0.10 0.00 0.00 0.00 0.00 37.83 35.64 2nln s LYS 96 CO 0.00 0.42 0.06 0.42 0.00 0.00 0.00 175.35 176.25 2nln s ILE 97 N -1.95 1.51 0.39 3.79 -1.09 0.39 -2.60 121.20 121.64 2nln s ILE 97 Ca 0.29 -1.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.03 2nln s ILE 97 Cb -0.08 -2.09 -0.05 0.00 -1.58 0.00 0.00 42.46 38.66 2nln s ILE 97 CO 0.19 -0.58 0.19 -0.83 -1.23 0.00 0.00 174.94 172.68 2nln s GLY 98 N 1.30 2.20 0.19 6.18 0.00 -1.26 -2.77 107.32 113.17 2nln s GLY 98 Ca 0.09 -2.01 -0.12 0.00 0.00 0.00 0.00 44.72 42.68 2nln s GLY 98 CO -0.16 -1.84 1.72 0.00 0.00 0.00 0.00 173.10 172.82 2nln h ALA 99 N 1.41 0.60 0.14 3.20 0.00 -1.94 1.31 119.26 124.00 2nln h ALA 99 Ca -0.43 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2nln h ALA 99 Cb 1.25 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2nln h ALA 99 CO 0.66 -0.29 -0.07 0.22 0.00 0.00 0.00 179.25 179.78 2nln h ASP 100 N 0.27 -0.16 0.13 0.00 3.58 -1.98 0.44 116.42 118.70 2nln h ASP 100 Ca 0.26 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2nln h ASP 100 Cb 0.34 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2nln h ASP 100 CO -0.32 -0.06 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.53 2nln h GLU 101 N -0.26 -0.26 -0.92 0.28 3.07 -1.79 -1.63 114.58 113.06 2nln h GLU 101 Ca -0.02 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 2nln h GLU 101 Cb 0.20 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.08 2nln h GLU 101 CO 0.03 -0.17 0.54 0.35 -1.40 0.00 0.00 179.01 178.36 2nln h PHE 102 N -0.27 0.97 -0.61 4.33 3.04 0.19 0.23 116.94 124.81 2nln h PHE 102 Ca 0.00 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.10 2nln h PHE 102 Cb 0.26 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.44 2nln h PHE 102 CO -0.12 0.32 0.41 1.96 -2.02 0.00 0.00 178.31 178.87 2nln h GLN 103 N 0.81 0.32 -0.80 1.11 4.20 0.81 -0.68 115.11 120.89 2nln h GLN 103 Ca 0.48 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.15 2nln h GLN 103 Cb 0.57 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2nln h GLN 103 CO -0.31 0.21 0.42 0.93 -0.67 0.00 0.00 178.83 179.42 2nln h GLU 104 N 0.33 1.13 0.41 1.46 4.39 0.04 -2.14 114.58 120.21 2nln h GLU 104 Ca 0.29 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2nln h GLU 104 Cb 0.68 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2nln h GLU 104 CO -0.07 0.85 -0.22 1.98 -1.16 0.00 0.00 179.01 180.39 2nln h MET 105 N 1.12 -0.56 -0.03 2.33 4.05 -1.01 0.41 114.93 121.23 2nln h MET 105 Ca 0.28 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.75 2nln h MET 105 Cb 0.06 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2nln h MET 105 CO -0.04 -0.37 0.02 -0.24 0.23 0.00 0.00 176.91 176.51 2nln h VAL 106 N -0.58 0.90 0.13 -5.77 3.04 -1.45 -1.89 116.25 110.62 2nln h VAL 106 Ca -0.05 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.36 2nln h VAL 106 Cb 0.46 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2nln h VAL 106 CO 0.08 0.00 -1.30 -0.74 -1.01 0.00 0.00 177.57 174.60 2nln h HIS 107 N 0.00 0.50 0.00 3.17 6.17 -0.86 -3.50 115.15 120.64 2nln h HIS 107 Ca 0.01 -0.37 0.00 0.00 0.71 0.00 0.00 60.37 60.73 2nln h HIS 107 Cb 0.06 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 29.97 2nln h HIS 107 CO 0.00 1.31 0.00 -1.13 0.71 0.00 0.00 177.93 178.82