#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 0.18 2.46 5.41 -1.26 -4.67 119.36 121.48 2nln n ILE 2 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 2nln n ILE 2 Cb 0.00 0.00 0.58 0.00 -0.71 0.00 0.00 39.64 39.51 2nln n ILE 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2nln h THR 3 N 0.00 0.00 0.00 1.39 1.35 -1.98 -3.01 112.91 110.66 2nln h THR 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2nln h THR 3 Cb 0.00 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 2nln h THR 3 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 2nln n ASP 4 N -2.28 0.00 -3.99 5.36 2.03 -1.26 -4.07 116.55 112.34 2nln n ASP 4 Ca -0.01 0.99 -0.31 0.00 0.52 0.00 0.00 54.79 55.98 2nln n ASP 4 Cb 0.10 -0.49 -0.15 0.00 -0.72 0.00 0.00 41.12 39.87 2nln n ASP 4 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2nln s ILE 5 N -2.95 2.37 -0.01 5.18 1.09 -1.14 -5.06 121.20 120.68 2nln s ILE 5 Ca 0.00 -2.68 -0.30 0.00 -1.10 0.00 0.00 60.65 56.57 2nln s ILE 5 Cb 0.00 -2.72 0.11 0.00 -1.06 0.00 0.00 42.46 38.79 2nln s ILE 5 CO 0.00 -0.67 1.16 -0.22 -0.10 0.00 0.00 174.94 175.11 2nln s LEU 6 N 0.49 -0.13 -1.48 2.97 2.96 -1.25 -4.97 118.68 117.26 2nln s LEU 6 Ca 0.13 -0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 2nln s LEU 6 Cb -0.21 1.61 0.02 0.00 0.50 0.00 0.00 46.19 48.11 2nln s LEU 6 CO -0.05 -0.45 2.50 -1.20 -1.32 0.00 0.00 176.35 175.83 2nln n SER 7 N -0.38 6.70 -0.24 3.68 7.64 -1.26 -4.76 113.62 124.99 2nln n SER 7 Ca -0.06 -2.82 0.30 0.00 1.01 0.00 0.00 58.87 57.29 2nln n SER 7 Cb 0.61 -1.54 0.46 0.00 -1.01 0.00 0.00 64.21 62.73 2nln n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nln h ALA 8 N 5.33 3.04 -0.04 -0.43 0.00 -1.93 1.32 119.26 126.55 2nln h ALA 8 Ca 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 2nln h ALA 8 Cb 0.44 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2nln h ALA 8 CO 1.74 -1.80 -0.01 0.93 0.00 0.00 0.00 179.25 180.11 2nln h GLU 9 N 0.00 0.07 0.00 0.00 4.39 -1.99 -2.98 114.58 114.08 2nln h GLU 9 Ca 0.52 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.19 2nln h GLU 9 Cb 2.99 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.64 2nln h GLU 9 CO -0.01 0.44 0.00 -0.25 -1.16 0.00 0.00 179.01 178.04 2nln n ASP 10 N -4.84 0.00 -0.08 1.42 9.92 0.44 -3.63 116.55 119.77 2nln n ASP 10 Ca -0.08 -0.28 -0.14 0.00 -0.53 0.00 0.00 54.79 53.76 2nln n ASP 10 Cb 0.22 -0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 2nln n ASP 10 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2nln h ILE 11 N 0.00 1.31 -0.03 0.53 2.04 -0.92 1.51 117.51 121.96 2nln h ILE 11 Ca 0.00 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.35 2nln h ILE 11 Cb 0.21 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2nln h ILE 11 CO 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 178.15 178.59 2nln h ALA 12 N 0.65 -0.02 0.27 1.87 0.00 -1.66 1.28 119.26 121.66 2nln h ALA 12 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2nln h ALA 12 Cb 0.91 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2nln h ALA 12 CO 0.08 -0.53 -0.13 0.00 0.00 0.00 0.00 179.25 178.67 2nln h ALA 13 N 0.96 -0.36 -0.80 0.00 0.00 -1.70 1.23 119.26 118.59 2nln h ALA 13 Ca 0.03 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.96 2nln h ALA 13 Cb 0.09 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 2nln h ALA 13 CO -0.06 -0.58 0.23 0.00 0.00 0.00 0.00 179.25 178.83 2nln h ALA 14 N 0.05 1.11 0.21 0.00 0.00 0.24 1.65 119.26 122.51 2nln h ALA 14 Ca -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2nln h ALA 14 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2nln h ALA 14 CO 0.06 -0.36 -0.10 1.25 0.00 0.00 0.00 179.25 180.10 2nln h LEU 15 N 0.28 -0.24 0.00 0.00 6.46 0.18 -3.16 115.31 118.83 2nln h LEU 15 Ca 0.47 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 2nln h LEU 15 Cb 0.85 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 2nln h LEU 15 CO -0.55 0.15 0.00 0.00 -0.62 0.00 0.00 178.44 177.43 2nln n GLN 16 N -4.58 0.33 0.00 1.25 1.13 0.42 -3.45 117.38 112.49 2nln n GLN 16 Ca -0.04 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2nln n GLN 16 Cb 0.11 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2nln n GLN 16 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2nln n GLU 17 N -1.18 0.00 -0.11 -1.09 2.13 0.56 -4.36 120.64 116.59 2nln n GLU 17 Ca 0.09 0.25 0.07 0.00 0.66 0.00 0.00 57.16 58.24 2nln n GLU 17 Cb 0.10 -1.16 0.13 0.00 0.27 0.00 0.00 31.44 30.78 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 0.80 0.42 0.00 0.00 7.27 -1.22 -4.77 117.38 119.87 2nln n GLN 19 Ca 0.12 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.34 2nln n GLN 19 Cb 0.41 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 31.77 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 1.72 0.00 -2.13 1.69 8.00 -1.26 -4.99 116.55 119.57 2nln n ASP 20 Ca 0.14 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.46 2nln n ASP 20 Cb 0.31 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 2nln n ASP 20 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2nln n PRO 21 N -0.18 2.03 0.00 -0.24 -0.04 -1.26 -3.93 135.00 131.38 2nln n PRO 21 Ca 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2nln n PRO 21 Cb 0.00 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 1.22 0.00 -0.08 3.54 5.75 -1.26 -2.38 116.55 123.33 2nln n ASP 22 Ca 0.38 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 55.07 2nln n ASP 22 Cb 0.64 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.61 2nln n ASP 22 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2nln n THR 23 N 0.00 1.11 0.00 2.12 5.66 -1.25 -4.75 114.28 117.17 2nln n THR 23 Ca 0.00 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 2nln n THR 23 Cb 0.00 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 2nln n THR 23 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2nln n PHE 24 N -2.69 0.00 -0.00 1.09 3.72 -1.26 -4.99 117.46 113.32 2nln n PHE 24 Ca -0.28 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 56.94 2nln n PHE 24 Cb 1.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.44 2nln n PHE 24 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2nln h GLU 25 N 0.00 0.59 0.00 -1.08 5.08 -1.92 -3.15 114.58 114.10 2nln h GLU 25 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2nln h GLU 25 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2nln h GLU 25 CO 0.00 1.18 -0.00 -1.00 -1.00 0.00 0.00 179.01 178.18 2nln h PRO 26 N 0.21 0.00 -0.95 2.33 0.13 -1.96 -3.25 132.00 128.51 2nln h PRO 26 Ca -0.07 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 2nln h PRO 26 Cb 1.38 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.45 2nln h PRO 26 CO 0.14 0.00 0.61 1.96 -0.23 0.00 0.00 178.00 180.49 2nln h GLN 27 N -0.86 1.05 -0.50 0.86 4.20 -1.91 -1.94 115.11 116.01 2nln h GLN 27 Ca 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2nln h GLN 27 Cb 0.00 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2nln h GLN 27 CO 0.00 0.70 0.28 -0.22 -0.67 0.00 0.00 178.83 178.92 2nln h LYS 28 N 1.08 0.69 -0.20 1.46 3.64 -1.73 0.89 116.57 122.41 2nln h LYS 28 Ca 0.41 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 2nln h LYS 28 Cb 0.20 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 2nln h LYS 28 CO -0.16 0.53 -0.23 0.35 -2.27 0.00 0.00 179.45 177.67 2nln h PHE 29 N 0.67 -0.62 0.43 1.91 3.04 -1.33 -1.43 116.94 119.61 2nln h PHE 29 Ca 0.18 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 2nln h PHE 29 Cb 0.03 0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2nln h PHE 29 CO -0.02 -0.31 -0.21 0.74 -2.02 0.00 0.00 178.31 176.49 2nln h PHE 30 N -0.26 -0.54 0.18 0.41 0.04 -0.94 -3.19 116.94 112.64 2nln h PHE 30 Ca 0.12 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 2nln h PHE 30 Cb 0.45 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2nln h PHE 30 CO -0.37 -0.22 -0.21 0.37 -0.60 0.00 0.00 178.31 177.29 2nln h GLN 31 N -0.96 -0.38 -0.36 1.51 5.75 0.86 1.83 115.11 123.37 2nln h GLN 31 Ca -0.06 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2nln h GLN 31 Cb 0.57 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.12 2nln h GLN 31 CO 0.10 -0.26 -0.46 1.15 -2.65 0.00 0.00 178.83 176.72 2nln h THR 32 N -0.40 0.09 0.00 2.39 2.02 -1.43 -2.28 112.91 113.30 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 0.35 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2nln h THR 32 CO -0.04 0.00 -0.02 0.77 0.37 0.00 0.00 175.52 176.61 2nln h SER 33 N -0.37 0.00 0.00 4.18 4.64 -1.53 -3.45 113.55 117.02 2nln h SER 33 Ca 0.11 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2nln h SER 33 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2nln h SER 33 CO -0.55 0.53 -0.35 0.61 -0.87 0.00 0.00 176.83 176.21 2nln n GLY 34 N 1.77 -0.51 0.32 -0.77 0.00 0.47 -4.19 105.19 102.26 2nln n GLY 34 Ca -0.01 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.19 0.04 -0.41 0.99 4.32 0.51 -1.27 117.00 117.99 2nln n LEU 35 Ca -0.05 1.59 0.32 0.00 -0.02 0.00 0.00 56.01 57.85 2nln n LEU 35 Cb 0.18 -0.64 0.50 0.00 -1.62 0.00 0.00 43.42 41.84 2nln n LEU 35 CO 0.07 -1.66 0.90 -0.24 -1.22 0.00 0.00 177.39 175.24 2nln n SER 36 N -5.30 0.05 0.00 -1.43 2.88 -0.86 -2.72 113.62 106.24 2nln n SER 36 Ca 0.27 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2nln n SER 36 Cb 0.89 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2nln n SER 36 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2nln n LYS 37 N -3.51 3.71 -1.56 -1.46 5.02 -0.40 -5.12 118.16 114.85 2nln n LYS 37 Ca 0.28 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.14 2nln n LYS 37 Cb 1.21 -0.31 -0.00 0.00 -0.02 0.00 0.00 35.03 35.91 2nln n LYS 37 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2nln n MET 38 N 0.00 1.10 -1.15 1.97 2.81 -0.87 -4.97 117.12 116.01 2nln n MET 38 Ca 0.00 0.39 -0.29 0.00 -1.81 0.00 0.00 57.70 56.00 2nln n MET 38 Cb 0.00 -1.79 0.19 0.00 -0.71 0.00 0.00 33.22 30.90 2nln n MET 38 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2nln s SER 39 N -0.74 2.37 0.11 7.83 0.15 -1.26 -4.90 113.70 117.26 2nln s SER 39 Ca 0.62 1.11 -0.18 0.00 0.70 0.00 0.00 55.95 58.20 2nln s SER 39 Cb -0.64 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 2nln s SER 39 CO 0.58 -3.28 1.61 0.00 1.20 0.00 0.00 173.24 173.35 2nln h ALA 40 N -2.00 0.40 -0.31 5.45 0.00 -1.96 -3.25 119.26 117.60 2nln h ALA 40 Ca -0.54 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.24 2nln h ALA 40 Cb 1.33 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2nln h ALA 40 CO 0.56 0.06 -0.54 0.77 0.00 0.00 0.00 179.25 180.10 2nln h SER 41 N 0.33 -1.76 -0.31 0.00 0.02 -2.02 0.31 113.55 110.13 2nln h SER 41 Ca 0.10 0.23 0.09 0.00 -0.84 0.00 0.00 61.79 61.36 2nln h SER 41 Cb 0.28 0.71 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2nln h SER 41 CO -0.00 -0.43 0.32 0.06 -1.14 0.00 0.00 176.83 175.64 2nln h GLN 42 N -0.46 0.00 -0.67 3.45 -0.00 -1.95 0.25 115.11 115.74 2nln h GLN 42 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.74 2nln h GLN 42 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.07 2nln h GLN 42 CO -0.54 0.00 0.44 0.28 -0.00 0.00 0.00 178.83 179.01 2nln h VAL 43 N 0.00 1.12 -0.66 1.86 2.07 -0.41 0.10 116.25 120.33 2nln h VAL 43 Ca 0.15 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.49 2nln h VAL 43 Cb 0.79 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2nln h VAL 43 CO -0.00 0.15 0.25 0.11 0.02 0.00 0.00 177.57 178.10 2nln h LYS 44 N 0.83 0.40 -0.12 1.57 1.57 -0.37 0.72 116.57 121.17 2nln h LYS 44 Ca 0.26 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2nln h LYS 44 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2nln h LYS 44 CO -0.07 0.27 -0.01 0.22 -0.57 0.00 0.00 179.45 179.29 2nln h ASP 45 N 0.41 0.23 -0.17 0.86 1.82 -1.14 -3.03 116.42 115.40 2nln h ASP 45 Ca 0.34 -0.33 0.05 0.00 -0.39 0.00 0.00 57.03 56.70 2nln h ASP 45 Cb 0.47 -0.06 -0.07 0.00 0.68 0.00 0.00 39.33 40.34 2nln h ASP 45 CO -0.35 0.51 -0.41 0.40 -1.61 0.00 0.00 179.24 177.78 2nln h ILE 46 N -0.06 0.16 -0.92 2.25 5.03 0.19 0.28 117.51 124.43 2nln h ILE 46 Ca 0.03 0.00 0.36 0.00 -0.12 0.00 0.00 64.86 65.13 2nln h ILE 46 Cb 0.40 0.16 -0.17 0.00 -3.03 0.00 0.00 36.82 34.18 2nln h ILE 46 CO 0.01 0.00 0.39 0.33 -0.68 0.00 0.00 178.15 178.19 2nln n PHE 47 N -5.43 0.96 0.11 1.37 7.35 0.24 0.14 117.46 122.21 2nln n PHE 47 Ca -0.03 1.10 0.16 0.00 -0.76 0.00 0.00 57.45 57.91 2nln n PHE 47 Cb 0.36 -1.43 0.71 0.00 0.35 0.00 0.00 39.48 39.47 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 0.21 -4.13 2.47 -0.81 -2.72 114.38 109.40 2nln h ARG 48 Ca 0.73 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.46 2nln h ARG 48 Cb 1.86 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.14 2nln h ARG 48 CO -0.75 0.00 -0.50 0.35 0.56 0.00 0.00 179.97 179.63 2nln h PHE 49 N 0.00 -1.41 0.00 3.04 3.57 0.12 -3.42 116.94 118.84 2nln h PHE 49 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2nln h PHE 49 Cb 0.64 0.59 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2nln h PHE 49 CO 0.00 -0.60 0.00 0.44 -2.23 0.00 0.00 178.31 175.92 2nln n ILE 50 N -5.50 0.00 -2.02 1.41 -5.35 -1.02 -4.77 119.36 102.11 2nln n ILE 50 Ca -0.09 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.07 2nln n ILE 50 Cb 0.42 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 2nln n ILE 50 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2nln s ASP 51 N -1.77 6.12 0.00 7.28 1.01 -1.26 -4.74 116.67 123.30 2nln s ASP 51 Ca 0.00 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.84 2nln s ASP 51 Cb 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.43 2nln s ASP 51 CO 0.00 -0.94 0.00 -3.20 0.21 0.00 0.00 175.17 171.24 2nln n ASN 52 N -2.31 2.33 -3.11 0.27 4.05 -1.26 -4.68 115.26 110.55 2nln n ASN 52 Ca 0.07 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.86 2nln n ASN 52 Cb 0.54 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.50 2nln n ASN 52 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2nln n ASP 53 N -2.53 2.68 -1.86 1.20 9.92 -1.26 -4.84 116.55 119.86 2nln n ASP 53 Ca 0.00 -3.32 0.00 0.00 -0.53 0.00 0.00 54.79 50.94 2nln n ASP 53 Cb 0.43 -0.60 0.34 0.00 -0.64 0.00 0.00 41.12 40.64 2nln n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nln n GLN 54 N 0.22 4.10 -0.74 -1.24 6.02 -1.25 -4.89 117.38 119.61 2nln n GLN 54 Ca 0.28 -3.11 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 2nln n GLN 54 Cb 0.50 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.56 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 0.10 -0.85 0.00 1.08 7.64 -1.26 -4.37 113.62 115.95 2nln n SER 55 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2nln n SER 55 Cb 1.27 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -0.54 0.62 3.69 0.23 0.00 -1.26 -4.96 105.19 102.97 2nln n GLY 56 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2nln n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nln s TYR 57 N -2.64 -0.22 0.27 1.61 -0.85 -1.26 -4.79 117.35 109.46 2nln s TYR 57 Ca 0.00 -0.07 0.11 0.00 -0.52 0.00 0.00 57.07 56.59 2nln s TYR 57 Cb 0.00 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 2nln s TYR 57 CO 0.00 -0.85 -0.14 -0.51 -1.52 0.00 0.00 175.55 172.54 2nln s LEU 58 N -2.83 2.79 0.01 -3.49 1.43 -1.17 -3.80 118.68 111.61 2nln s LEU 58 Ca 0.10 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 2nln s LEU 58 Cb -0.02 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.90 2nln s LEU 58 CO -0.01 0.03 0.30 -0.62 0.23 0.00 0.00 176.35 176.29 2nln s ASP 59 N -3.49 -0.15 0.58 2.29 -1.08 -1.26 -1.07 116.67 112.49 2nln s ASP 59 Ca 0.30 -0.04 0.35 0.00 -0.52 0.00 0.00 52.55 52.64 2nln s ASP 59 Cb -0.06 0.32 1.35 0.00 -1.46 0.00 0.00 42.92 43.07 2nln s ASP 59 CO 0.16 -0.51 1.56 1.23 0.52 0.00 0.00 175.17 178.13 2nln h GLY 60 N 3.64 0.00 0.41 2.66 0.00 -1.91 0.82 103.07 108.69 2nln h GLY 60 Ca -0.30 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2nln h GLY 60 CO 0.42 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 176.33 2nln h ASP 61 N 0.00 0.10 0.95 0.19 5.19 -1.95 -3.33 116.42 117.56 2nln h ASP 61 Ca 0.58 -0.67 -0.22 0.00 -0.62 0.00 0.00 57.03 56.11 2nln h ASP 61 Cb 2.78 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 42.23 2nln h ASP 61 CO -0.01 0.75 -1.04 -0.33 -3.12 0.00 0.00 179.24 175.50 2nln h GLU 62 N -0.55 0.03 -1.00 3.56 4.39 -0.43 -3.37 114.58 117.22 2nln h GLU 62 Ca -0.01 -0.06 0.37 0.00 0.34 0.00 0.00 59.36 60.01 2nln h GLU 62 Cb 0.75 0.02 -0.18 0.00 -0.10 0.00 0.00 28.75 29.25 2nln h GLU 62 CO 0.02 1.02 0.43 -0.07 -1.16 0.00 0.00 179.01 179.24 2nln h LEU 63 N 0.01 0.16 -1.81 1.33 3.38 0.25 0.74 115.31 119.38 2nln h LEU 63 Ca -0.03 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2nln h LEU 63 Cb 1.80 0.30 0.00 0.00 0.09 0.00 0.00 40.66 42.85 2nln h LEU 63 CO 0.14 -0.39 0.00 0.07 0.09 0.00 0.00 178.44 178.35 2nln h LYS 64 N 0.04 0.00 0.00 1.13 5.09 -1.76 -0.83 116.57 120.24 2nln h LYS 64 Ca 0.78 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.52 2nln h LYS 64 Cb 1.95 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.28 2nln h LYS 64 CO -0.78 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 177.24 2nln n TYR 65 N -2.57 0.31 -0.39 0.07 4.01 0.26 -3.91 117.16 114.94 2nln n TYR 65 Ca -0.01 0.10 0.31 0.00 -0.16 0.00 0.00 57.90 58.14 2nln n TYR 65 Cb 0.09 -0.66 0.59 0.00 -0.31 0.00 0.00 39.34 39.06 2nln n TYR 65 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2nln h PHE 66 N 0.00 0.57 0.01 -0.72 -0.00 -1.28 1.23 116.94 116.75 2nln h PHE 66 Ca 0.00 0.02 -0.25 0.00 -0.00 0.00 0.00 57.97 57.74 2nln h PHE 66 Cb 0.49 -0.15 -0.04 0.00 -0.00 0.00 0.00 35.95 36.26 2nln h PHE 66 CO 0.00 -0.09 -1.33 -0.07 -0.00 0.00 0.00 178.31 176.82 2nln h LEU 67 N 0.21 0.02 -0.46 2.10 3.38 -1.82 -3.31 115.31 115.43 2nln h LEU 67 Ca 0.72 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.57 2nln h LEU 67 Cb 2.12 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.85 2nln h LEU 67 CO -0.36 1.03 -0.04 1.56 0.09 0.00 0.00 178.44 180.72 2nln h GLN 68 N 0.00 0.84 0.16 1.13 4.20 0.11 1.40 115.11 122.96 2nln h GLN 68 Ca -0.14 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2nln h GLN 68 Cb 1.89 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.57 2nln h GLN 68 CO 0.11 0.91 -0.39 0.87 -0.67 0.00 0.00 178.83 179.67 2nln h LYS 69 N 0.68 -0.58 -0.10 1.46 1.79 -0.65 0.35 116.57 119.53 2nln h LYS 69 Ca 0.13 0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.56 2nln h LYS 69 Cb 0.56 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2nln h LYS 69 CO 0.03 -0.39 -0.24 0.35 -1.08 0.00 0.00 179.45 178.12 2nln h PHE 70 N -0.61 0.44 0.00 -1.35 3.57 -1.64 -3.40 116.94 113.95 2nln h PHE 70 Ca -0.02 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2nln h PHE 70 Cb 0.58 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2nln h PHE 70 CO -0.36 0.86 0.00 0.94 -2.23 0.00 0.00 178.31 177.52 2nln n GLN 71 N -4.48 0.00 0.00 1.11 7.27 0.48 -5.03 117.38 116.73 2nln n GLN 71 Ca -0.07 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.17 2nln n GLN 71 Cb 0.44 -0.66 0.00 0.00 2.41 0.00 0.00 30.24 32.44 2nln n GLN 71 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2nln n SER 72 N -1.11 0.00 -1.26 1.69 7.64 0.12 -4.96 113.62 115.75 2nln n SER 72 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2nln n SER 72 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2nln n SER 72 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nln n ASP 73 N 0.00 -0.78 -4.54 6.43 2.03 -1.26 -4.98 116.55 113.44 2nln n ASP 73 Ca 0.00 -2.02 -0.33 0.00 0.52 0.00 0.00 54.79 52.96 2nln n ASP 73 Cb 0.00 0.26 0.13 0.00 -0.72 0.00 0.00 41.12 40.79 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nln n ALA 74 N -0.12 -1.52 0.48 -1.67 0.00 -1.26 -4.90 120.51 111.53 2nln n ALA 74 Ca -0.23 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 52.83 2nln n ALA 74 Cb 0.77 -2.00 0.36 0.00 0.00 0.00 0.00 19.45 18.58 2nln n ALA 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2nln h ARG 75 N -1.44 0.00 -0.45 0.00 -0.00 -1.97 -3.47 114.38 107.05 2nln h ARG 75 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 2nln h ARG 75 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2nln h ARG 75 CO 0.39 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.75 2nln n GLU 76 N -2.53 0.00 -1.13 0.08 1.02 -1.26 -4.42 120.64 112.40 2nln n GLU 76 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2nln n GLU 76 Cb 0.44 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.22 0.00 0.00 -4.62 4.77 -1.26 -4.64 117.00 111.03 2nln n LEU 77 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2nln n LEU 77 Cb 0.20 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2nln n LEU 77 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.41 2nln n THR 78 N -1.00 0.00 -0.11 -5.08 -2.24 -1.26 -0.66 114.28 103.93 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 0.15 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.70 0.23 -0.78 5.08 -1.89 -3.33 114.58 114.60 2nln h GLU 79 Ca 0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2nln h GLU 79 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2nln h GLU 79 CO 0.00 0.92 -0.11 1.03 -1.00 0.00 0.00 179.01 179.85 2nln h SER 80 N 0.47 -0.26 -0.61 1.42 0.87 -1.78 -3.36 113.55 110.30 2nln h SER 80 Ca 0.07 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.43 2nln h SER 80 Cb 0.72 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 2nln h SER 80 CO 0.05 0.20 0.30 -0.08 -0.53 0.00 0.00 176.83 176.77 2nln h GLU 81 N -0.82 0.53 -0.23 2.24 4.22 -0.52 0.17 114.58 120.17 2nln h GLU 81 Ca -0.03 -0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.44 2nln h GLU 81 Cb 0.51 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2nln h GLU 81 CO 0.05 0.35 0.43 1.79 -2.18 0.00 0.00 179.01 179.45 2nln h THR 82 N 0.55 0.19 -0.61 0.32 1.35 -1.22 1.04 112.91 114.53 2nln h THR 82 Ca 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.14 2nln h THR 82 Cb 0.24 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 2nln h THR 82 CO -0.21 0.00 0.35 0.50 -0.25 0.00 0.00 175.52 175.90 2nln h LYS 83 N 0.00 0.83 0.17 4.72 3.64 -0.81 0.28 116.57 125.39 2nln h LYS 83 Ca 0.11 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2nln h LYS 83 Cb 0.96 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2nln h LYS 83 CO -0.00 0.60 -0.28 0.77 -2.27 0.00 0.00 179.45 178.26 2nln h SER 84 N 0.84 -0.80 -0.95 4.20 0.02 0.11 1.15 113.55 118.11 2nln h SER 84 Ca 0.22 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2nln h SER 84 Cb -0.00 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 2nln h SER 84 CO -0.04 -0.38 0.62 -0.07 -1.14 0.00 0.00 176.83 175.82 2nln h LEU 85 N -0.53 1.04 -0.28 5.07 3.38 -1.46 -0.75 115.31 121.80 2nln h LEU 85 Ca 0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2nln h LEU 85 Cb 0.53 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2nln h LEU 85 CO -0.13 0.72 0.06 -0.03 0.09 0.00 0.00 178.44 179.15 2nln h MET 86 N 1.21 0.16 0.00 1.13 4.05 0.97 -0.11 114.93 122.34 2nln h MET 86 Ca 0.37 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 2nln h MET 86 Cb -0.02 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2nln h MET 86 CO -0.11 0.10 0.00 -0.25 0.23 0.00 0.00 176.91 176.89 2nln n ASP 87 N -5.08 0.00 0.16 1.39 8.00 0.38 -2.99 116.55 118.41 2nln n ASP 87 Ca -0.01 -0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.35 2nln n ASP 87 Cb 0.12 -0.18 0.27 0.00 -0.02 0.00 0.00 41.12 41.30 2nln n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nln h ALA 88 N 2.88 1.15 -3.00 2.24 0.00 0.37 -3.45 119.26 119.44 2nln h ALA 88 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2nln h ALA 88 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2nln h ALA 88 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2nln n ALA 89 N -2.43 0.33 -2.29 0.00 0.00 -1.24 -4.38 120.51 110.49 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.83 4.87 -0.04 0.00 -0.08 -1.13 -4.69 116.55 114.65 2nln n ASP 90 Ca 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 54.79 50.23 2nln n ASP 90 Cb 0.00 -1.53 -0.00 0.00 2.34 0.00 0.00 41.12 41.92 2nln n ASP 90 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2nln h ASN 91 N 6.00 0.00 -0.82 1.67 -0.26 -1.82 0.81 115.58 121.16 2nln h ASN 91 Ca 0.42 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.85 2nln h ASN 91 Cb 0.66 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 37.74 2nln h ASN 91 CO 1.63 0.45 0.40 0.47 -1.06 0.00 0.00 177.43 179.32 2nln n ASP 92 N -4.14 4.49 -0.16 5.81 8.00 -1.26 -4.28 116.55 125.01 2nln n ASP 92 Ca -0.02 -3.33 0.00 0.00 0.71 0.00 0.00 54.79 52.15 2nln n ASP 92 Cb 0.06 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 2nln n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nln n GLY 93 N -0.45 -0.50 0.00 0.44 0.00 -1.26 -5.04 105.19 98.37 2nln n GLY 93 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2nln n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nln n ASP 94 N 0.00 0.00 0.00 1.61 -0.08 -1.25 -5.01 116.55 111.82 2nln n ASP 94 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2nln n ASP 94 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2nln n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2nln n GLY 95 N 0.00 1.17 3.67 0.27 0.00 0.28 -5.00 105.19 105.58 2nln n GLY 95 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2nln n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nln s LYS 96 N -0.28 2.44 -0.34 1.61 2.36 -1.19 -3.17 119.74 121.17 2nln s LYS 96 Ca 0.00 -1.04 0.01 0.00 -2.55 0.00 0.00 55.97 52.39 2nln s LYS 96 Cb 0.00 -2.41 0.11 0.00 -1.05 0.00 0.00 37.83 34.48 2nln s LYS 96 CO 0.00 0.48 0.11 0.42 1.55 0.00 0.00 175.35 177.91 2nln s ILE 97 N -1.62 1.23 0.39 5.43 -1.09 -0.23 -2.84 121.20 122.46 2nln s ILE 97 Ca 0.27 -1.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.00 2nln s ILE 97 Cb -0.10 -1.92 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 2nln s ILE 97 CO 0.19 -0.70 0.41 -0.83 -1.23 0.00 0.00 174.94 172.78 2nln s GLY 98 N 1.28 1.96 0.17 6.18 0.00 -1.26 -3.07 107.32 112.59 2nln s GLY 98 Ca 0.11 -1.75 -0.16 0.00 0.00 0.00 0.00 44.72 42.93 2nln s GLY 98 CO -0.18 -1.60 1.68 0.00 0.00 0.00 0.00 173.10 173.01 2nln h ALA 99 N 0.99 0.35 -0.16 3.20 0.00 -1.92 1.51 119.26 123.22 2nln h ALA 99 Ca -0.42 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2nln h ALA 99 Cb 1.27 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2nln h ALA 99 CO 0.55 -0.42 0.08 0.22 0.00 0.00 0.00 179.25 179.68 2nln h ASP 100 N 0.07 0.12 -0.14 0.00 3.58 -1.95 0.42 116.42 118.52 2nln h ASP 100 Ca 0.20 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2nln h ASP 100 Cb 0.30 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2nln h ASP 100 CO -0.38 0.10 0.08 -0.33 -2.88 0.00 0.00 179.24 175.83 2nln h GLU 101 N 0.17 0.19 -0.58 0.28 3.07 -1.72 -2.10 114.58 113.88 2nln h GLU 101 Ca 0.06 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.00 2nln h GLU 101 Cb 0.01 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 27.81 2nln h GLU 101 CO -0.04 0.16 0.19 0.35 -1.40 0.00 0.00 179.01 178.26 2nln h PHE 102 N 0.16 0.32 -0.41 4.33 3.04 0.25 0.19 116.94 124.83 2nln h PHE 102 Ca 0.05 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.15 2nln h PHE 102 Cb 0.02 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2nln h PHE 102 CO -0.06 0.06 0.31 1.96 -2.02 0.00 0.00 178.31 178.57 2nln h GLN 103 N 0.35 0.00 -0.81 1.11 4.20 0.47 -0.52 115.11 119.91 2nln h GLN 103 Ca 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2nln h GLN 103 Cb 0.38 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2nln h GLN 103 CO -0.32 0.00 0.49 0.93 -0.67 0.00 0.00 178.83 179.26 2nln h GLU 104 N 0.00 1.10 0.64 1.46 4.39 -0.04 -0.79 114.58 121.34 2nln h GLU 104 Ca 0.19 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2nln h GLU 104 Cb 0.82 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2nln h GLU 104 CO -0.00 0.77 -0.31 1.98 -1.16 0.00 0.00 179.01 180.29 2nln h MET 105 N 1.12 -0.83 0.00 2.33 4.05 -1.07 1.24 114.93 121.77 2nln h MET 105 Ca 0.29 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.75 2nln h MET 105 Cb -0.05 0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2nln h MET 105 CO -0.06 -0.52 -0.09 -0.24 0.23 0.00 0.00 176.91 176.24 2nln h VAL 106 N -0.99 0.94 0.00 -5.77 3.04 -1.55 -3.27 116.25 108.65 2nln h VAL 106 Ca -0.09 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2nln h VAL 106 Cb 0.70 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2nln h VAL 106 CO 0.14 0.09 -0.00 -0.74 -1.01 0.00 0.00 177.57 176.05 2nln h HIS 107 N 0.00 0.00 0.00 3.17 6.17 -0.93 -3.50 115.15 120.06 2nln h HIS 107 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2nln h HIS 107 Cb 0.17 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.10 2nln h HIS 107 CO 0.00 0.00 0.00 0.45 0.71 0.00 0.00 177.93 179.09