#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 1.34 0.30 -1.33 5.41 -1.26 -2.88 119.36 120.94 2nln n ILE 2 Ca 0.00 -0.53 0.17 0.00 1.00 0.00 0.00 62.75 63.38 2nln n ILE 2 Cb 0.00 -1.26 0.86 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.07 -0.39 1.39 1.35 -1.95 -0.01 112.91 113.37 2nln h THR 3 Ca -0.52 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.42 2nln h THR 3 Cb 1.84 0.71 -0.09 0.00 -1.73 0.00 0.00 68.15 68.88 2nln h THR 3 CO -0.07 0.00 -0.26 -0.78 -0.25 0.00 0.00 175.52 174.16 2nln h ASP 4 N 0.00 -0.86 -3.01 5.36 3.58 -1.97 -3.33 116.42 116.19 2nln h ASP 4 Ca 0.03 0.17 -0.59 0.00 0.42 0.00 0.00 57.03 57.06 2nln h ASP 4 Cb 0.62 0.43 -0.40 0.00 1.72 0.00 0.00 39.33 41.70 2nln h ASP 4 CO -0.00 -0.28 -0.79 -0.63 -2.88 0.00 0.00 179.24 174.66 2nln s ILE 5 N -6.08 0.69 -0.12 2.25 1.01 -0.02 -5.11 121.20 113.83 2nln s ILE 5 Ca -0.15 -1.99 -0.34 0.00 0.00 0.00 0.00 60.65 58.18 2nln s ILE 5 Cb 0.14 -1.50 0.14 0.00 0.01 0.00 0.00 42.46 41.25 2nln s ILE 5 CO 0.69 -0.92 1.36 -0.76 0.00 0.00 0.00 174.94 175.31 2nln s LEU 6 N 0.86 -0.04 -0.28 2.97 1.02 -1.20 -4.95 118.68 117.05 2nln s LEU 6 Ca 0.17 -0.04 -0.25 0.00 0.02 0.00 0.00 54.13 54.03 2nln s LEU 6 Cb -0.23 1.17 0.00 0.00 0.02 0.00 0.00 46.19 47.16 2nln s LEU 6 CO -0.02 -0.13 0.84 -0.44 0.02 0.00 0.00 176.35 176.62 2nln s SER 7 N -2.70 6.76 0.13 2.29 0.01 -1.26 -4.91 113.70 114.02 2nln s SER 7 Ca 0.13 0.84 -0.19 0.00 1.31 0.00 0.00 55.95 58.05 2nln s SER 7 Cb 0.04 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2nln s SER 7 CO -0.05 -0.61 1.76 0.00 0.41 0.00 0.00 173.24 174.75 2nln h ALA 8 N 7.96 0.28 0.24 1.44 0.00 -1.98 -1.74 119.26 125.46 2nln h ALA 8 Ca -0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2nln h ALA 8 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2nln h ALA 8 CO 0.90 -0.31 -0.12 0.93 0.00 0.00 0.00 179.25 180.65 2nln h GLU 9 N 0.22 -0.32 -0.77 0.00 5.08 -2.00 -2.48 114.58 114.32 2nln h GLU 9 Ca 0.10 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.68 2nln h GLU 9 Cb 0.05 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2nln h GLU 9 CO -0.09 -0.07 0.53 -0.44 -1.00 0.00 0.00 179.01 177.95 2nln h ASP 10 N -0.53 0.18 -0.01 1.42 5.19 -1.95 0.05 116.42 120.77 2nln h ASP 10 Ca -0.03 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2nln h ASP 10 Cb 0.39 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 2nln h ASP 10 CO 0.05 0.08 0.00 0.40 -3.12 0.00 0.00 179.24 176.66 2nln h ILE 11 N 0.18 1.17 0.03 0.35 2.04 -0.88 0.90 117.51 121.30 2nln h ILE 11 Ca 0.38 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2nln h ILE 11 Cb 1.21 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 2nln h ILE 11 CO -0.07 0.13 -0.14 0.00 0.00 0.00 0.00 178.15 178.08 2nln h ALA 12 N 0.79 -0.18 0.02 1.87 0.00 -0.62 0.74 119.26 121.87 2nln h ALA 12 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nln h ALA 12 Cb 0.22 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2nln h ALA 12 CO -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 179.25 178.60 2nln h ALA 13 N 0.68 -0.03 -0.65 0.00 0.00 -1.27 1.53 119.26 119.51 2nln h ALA 13 Ca 0.04 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2nln h ALA 13 Cb 0.29 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 2nln h ALA 13 CO -0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 179.25 178.68 2nln h ALA 14 N 0.78 0.62 0.07 0.00 0.00 0.12 0.70 119.26 121.55 2nln h ALA 14 Ca -0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2nln h ALA 14 Cb 0.18 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2nln h ALA 14 CO 0.00 -0.40 -0.03 1.25 0.00 0.00 0.00 179.25 180.07 2nln h LEU 15 N 0.10 -0.08 0.00 0.00 6.46 0.73 -3.34 115.31 119.19 2nln h LEU 15 Ca 0.34 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2nln h LEU 15 Cb 0.56 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2nln h LEU 15 CO -0.58 0.60 0.00 0.00 -0.62 0.00 0.00 178.44 177.84 2nln n GLN 16 N -4.79 0.21 0.00 1.25 3.00 0.52 -3.12 117.38 114.46 2nln n GLN 16 Ca -0.06 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2nln n GLN 16 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.98 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 -1.19 0.00 -0.04 -1.09 2.13 0.24 -4.39 120.64 116.31 2nln n GLU 17 Ca 0.06 0.23 0.06 0.00 0.66 0.00 0.00 57.16 58.18 2nln n GLU 17 Cb 0.07 -1.15 0.08 0.00 0.27 0.00 0.00 31.44 30.71 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 0.67 0.33 -3.75 0.00 7.27 -1.18 -4.83 117.38 115.90 2nln n GLN 19 Ca 0.08 0.12 0.01 0.00 0.07 0.00 0.00 57.00 57.29 2nln n GLN 19 Cb 0.34 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.72 2nln n GLN 19 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2nln s ASP 20 N -0.94 -0.04 -0.81 1.69 1.01 -1.26 -5.00 116.67 111.32 2nln s ASP 20 Ca 0.62 -0.20 -0.16 0.00 0.71 0.00 0.00 52.55 53.51 2nln s ASP 20 Cb -0.70 0.19 -0.12 0.00 1.01 0.00 0.00 42.92 43.31 2nln s ASP 20 CO 0.59 -0.37 1.97 -0.81 0.21 0.00 0.00 175.17 176.77 2nln n PRO 21 N -0.62 1.68 -2.00 8.23 -0.04 -1.26 -4.32 135.00 136.67 2nln n PRO 21 Ca -0.05 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 2nln n PRO 21 Cb 0.61 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 6.37 0.00 -0.08 3.54 5.75 -1.26 -4.21 116.55 126.66 2nln n ASP 22 Ca 0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 55.24 2nln n ASP 22 Cb 0.31 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 9.00 0.00 -1.31 2.12 5.66 -1.26 -4.29 114.28 124.20 2nln n THR 23 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2nln n THR 23 Cb 0.00 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 2nln n THR 23 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2nln n PHE 24 N -1.29 0.00 -0.06 1.09 -1.74 -1.26 -4.76 117.46 109.43 2nln n PHE 24 Ca -0.01 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.71 2nln n PHE 24 Cb 0.32 -0.59 -0.13 0.00 1.52 0.00 0.00 39.48 40.60 2nln n PHE 24 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 2nln h GLU 25 N 3.64 0.04 -0.16 3.97 4.81 -1.83 -3.28 114.58 121.76 2nln h GLU 25 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2nln h GLU 25 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2nln h GLU 25 CO 0.00 1.03 0.05 -1.00 -0.73 0.00 0.00 179.01 178.36 2nln h PRO 26 N -0.90 0.25 -0.99 0.92 0.13 -1.92 0.39 132.00 129.87 2nln h PRO 26 Ca -0.11 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2nln h PRO 26 Cb 1.18 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2nln h PRO 26 CO -0.03 0.38 0.64 0.37 -0.23 0.00 0.00 178.00 179.13 2nln h GLN 27 N 0.07 1.16 0.02 0.86 -0.00 -1.83 -1.27 115.11 114.12 2nln h GLN 27 Ca 0.05 -0.07 -0.27 0.00 -0.00 0.00 0.00 58.65 58.36 2nln h GLN 27 Cb 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 27.48 27.47 2nln h GLN 27 CO -0.00 0.76 -1.07 -0.22 0.00 0.00 0.00 178.83 178.30 2nln h LYS 28 N 1.19 0.64 -0.91 1.69 3.64 -1.57 -2.42 116.57 118.82 2nln h LYS 28 Ca 0.42 -0.72 0.20 0.00 -1.27 0.00 0.00 60.65 59.27 2nln h LYS 28 Cb 0.11 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 32.03 2nln h LYS 28 CO -0.15 1.30 0.47 0.35 -2.27 0.00 0.00 179.45 179.15 2nln h PHE 29 N 0.34 0.81 0.12 1.91 3.04 0.51 -1.91 116.94 121.75 2nln h PHE 29 Ca -0.13 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 2nln h PHE 29 Cb 1.72 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 40.02 2nln h PHE 29 CO 0.10 0.08 -0.06 0.74 -2.02 0.00 0.00 178.31 177.15 2nln h PHE 30 N 0.55 -0.14 0.20 0.41 0.04 -1.24 -3.32 116.94 113.44 2nln h PHE 30 Ca 0.55 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.31 2nln h PHE 30 Cb 0.94 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 2nln h PHE 30 CO -0.08 0.28 -0.16 0.37 -0.60 0.00 0.00 178.31 178.12 2nln h GLN 31 N -0.94 -0.34 -0.26 1.51 5.75 -1.05 2.01 115.11 121.79 2nln h GLN 31 Ca -0.02 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2nln h GLN 31 Cb 0.49 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.05 2nln h GLN 31 CO 0.03 -0.23 -0.51 1.15 -2.65 0.00 0.00 178.83 176.62 2nln h THR 32 N -0.35 0.04 0.06 2.39 2.02 -1.58 -0.77 112.91 114.71 2nln h THR 32 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2nln h THR 32 Cb 0.30 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2nln h THR 32 CO 0.00 0.00 -0.03 -1.28 0.37 0.00 0.00 175.52 174.59 2nln h SER 33 N -0.48 -0.07 0.00 4.18 0.87 -1.65 -3.43 113.55 112.97 2nln h SER 33 Ca 0.07 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2nln h SER 33 Cb 0.64 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2nln h SER 33 CO -0.50 0.46 -0.03 0.61 -0.53 0.00 0.00 176.83 176.84 2nln n GLY 34 N 1.55 -0.48 0.54 5.77 0.00 0.32 -4.62 105.19 108.27 2nln n GLY 34 Ca -0.02 -0.01 0.40 0.00 0.00 0.00 0.00 46.02 46.40 2nln n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nln h LEU 35 N -0.03 0.15 -0.77 0.99 3.38 0.26 -2.28 115.31 117.00 2nln h LEU 35 Ca 0.00 0.07 0.29 0.00 0.09 0.00 0.00 57.88 58.33 2nln h LEU 35 Cb 0.03 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 2nln h LEU 35 CO 0.00 -0.08 0.47 -0.24 0.09 0.00 0.00 178.44 178.68 2nln n SER 36 N -4.38 0.18 0.00 -0.43 2.88 -0.29 -3.69 113.62 107.88 2nln n SER 36 Ca 0.36 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 2nln n SER 36 Cb 1.53 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 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 -4.21 2.82 -0.93 -1.46 5.02 -0.87 -5.12 118.16 113.41 2nln n LYS 37 Ca 0.25 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 2nln n LYS 37 Cb 0.93 -0.25 0.08 0.00 -0.02 0.00 0.00 35.03 35.76 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 -0.04 -0.11 -1.36 1.97 0.00 -1.18 -4.94 117.12 111.47 2nln n MET 38 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 57.70 57.39 2nln n MET 38 Cb 0.00 -1.45 0.12 0.00 0.00 0.00 0.00 33.22 31.89 2nln n MET 38 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2nln s SER 39 N -1.50 3.86 0.17 7.83 0.01 -1.26 -4.94 113.70 117.88 2nln s SER 39 Ca 0.50 1.39 -0.14 0.00 1.31 0.00 0.00 55.95 59.01 2nln s SER 39 Cb -0.22 -2.09 0.08 0.00 0.21 0.00 0.00 66.02 64.00 2nln s SER 39 CO 0.74 -2.38 1.82 0.00 0.41 0.00 0.00 173.24 173.83 2nln h ALA 40 N -1.37 0.65 -0.05 1.44 0.00 -1.96 -3.01 119.26 114.96 2nln h ALA 40 Ca -0.49 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2nln h ALA 40 Cb 1.28 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2nln h ALA 40 CO 0.57 0.04 -0.51 1.03 0.00 0.00 0.00 179.25 180.38 2nln h SER 41 N 0.64 -1.58 -0.85 0.00 0.87 -2.01 0.45 113.55 111.07 2nln h SER 41 Ca 0.20 0.18 0.20 0.00 -1.23 0.00 0.00 61.79 61.14 2nln h SER 41 Cb -0.02 0.61 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 2nln h SER 41 CO -0.07 -0.50 0.57 0.06 -0.53 0.00 0.00 176.83 176.37 2nln h GLN 42 N -0.62 0.29 0.00 2.24 -0.00 -1.93 0.76 115.11 115.85 2nln h GLN 42 Ca 0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2nln h GLN 42 Cb 0.70 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 28.11 2nln h GLN 42 CO -0.38 0.19 -0.01 0.28 -0.00 0.00 0.00 178.83 178.92 2nln h VAL 43 N 0.30 0.99 -0.60 1.86 2.07 -0.78 0.09 116.25 120.17 2nln h VAL 43 Ca 0.43 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 68.01 2nln h VAL 43 Cb 1.21 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 2nln h VAL 43 CO -0.12 0.01 0.24 0.11 0.02 0.00 0.00 177.57 177.83 2nln h LYS 44 N 0.00 0.42 -0.45 1.57 1.57 0.91 0.47 116.57 121.06 2nln h LYS 44 Ca -0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2nln h LYS 44 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2nln h LYS 44 CO 0.00 0.28 0.04 -0.44 -0.57 0.00 0.00 179.45 178.77 2nln h ASP 45 N 0.44 0.75 0.03 0.86 3.32 -1.06 -3.01 116.42 117.75 2nln h ASP 45 Ca 0.30 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2nln h ASP 45 Cb 0.34 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2nln h ASP 45 CO -0.28 0.84 -0.30 0.40 -1.72 0.00 0.00 179.24 178.18 2nln h ILE 46 N 0.63 0.34 -0.81 0.35 5.03 -0.31 -1.03 117.51 121.72 2nln h ILE 46 Ca 0.13 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 65.21 2nln h ILE 46 Cb 0.43 0.34 -0.14 0.00 -3.03 0.00 0.00 36.82 34.42 2nln h ILE 46 CO 0.01 0.00 0.44 0.33 -0.68 0.00 0.00 178.15 178.26 2nln n PHE 47 N -5.40 0.90 -0.11 1.37 7.35 0.15 0.16 117.46 121.89 2nln n PHE 47 Ca -0.05 0.91 0.16 0.00 -0.76 0.00 0.00 57.45 57.70 2nln n PHE 47 Cb 0.32 -1.33 0.55 0.00 0.35 0.00 0.00 39.48 39.36 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 0.30 -0.26 -4.13 2.47 -1.17 -2.82 114.38 108.77 2nln h ARG 48 Ca 0.67 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 59.41 2nln h ARG 48 Cb 1.80 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.99 2nln h ARG 48 CO -0.59 0.20 -0.48 0.35 0.56 0.00 0.00 179.97 180.01 2nln h PHE 49 N 0.31 -1.45 -0.00 3.04 3.57 0.15 -3.37 116.94 119.18 2nln h PHE 49 Ca 0.32 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2nln h PHE 49 Cb 0.83 0.67 0.00 0.00 2.79 0.00 0.00 35.95 40.23 2nln h PHE 49 CO -0.00 -0.44 0.00 0.44 -2.23 0.00 0.00 178.31 176.08 2nln n ILE 50 N -5.02 0.00 -1.69 1.41 -5.35 -1.06 -4.77 119.36 102.87 2nln n ILE 50 Ca -0.04 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.00 2nln n ILE 50 Cb 0.31 -0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.18 2nln n ILE 50 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2nln n ASP 51 N 0.00 3.20 -2.21 7.28 8.00 -1.26 -4.84 116.55 126.72 2nln n ASP 51 Ca 0.00 1.12 -0.20 0.00 0.71 0.00 0.00 54.79 56.42 2nln n ASP 51 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.56 2nln n ASP 51 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2nln n ASN 52 N 2.70 6.13 -0.13 -2.24 5.15 -1.26 -4.71 115.26 120.89 2nln n ASN 52 Ca 0.13 -2.97 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 2nln n ASN 52 Cb 0.32 -1.24 -0.00 0.00 -0.53 0.00 0.00 39.78 38.33 2nln n ASN 52 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2nln n ASP 53 N 1.18 -0.73 0.00 1.20 8.00 -1.26 -5.05 116.55 119.89 2nln n ASP 53 Ca 0.41 0.15 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2nln n ASP 53 Cb 0.64 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2nln n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nln n GLN 54 N -1.79 0.00 -2.73 -1.24 6.02 -1.26 -4.98 117.38 111.40 2nln n GLN 54 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.96 2nln n GLN 54 Cb 0.05 -0.05 0.10 0.00 1.02 0.00 0.00 30.24 31.36 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 -1.97 -0.30 0.00 1.08 7.64 -1.26 -4.95 113.62 113.86 2nln n SER 55 Ca 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2nln n SER 55 Cb 0.00 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.04 3.28 3.74 0.23 0.00 -1.26 -4.97 105.19 105.17 2nln n GLY 56 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.54 -0.23 0.05 1.61 1.51 -1.26 -5.01 117.35 111.48 2nln s TYR 57 Ca 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 2nln s TYR 57 Cb 0.00 0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 42.47 2nln s TYR 57 CO 0.00 -1.01 0.19 -0.51 -1.11 0.00 0.00 175.55 173.11 2nln s LEU 58 N -2.87 4.32 0.05 -1.29 1.43 -1.15 -4.23 118.68 114.92 2nln s LEU 58 Ca 0.10 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2nln s LEU 58 Cb -0.04 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 2nln s LEU 58 CO 0.02 0.19 0.11 -0.62 0.23 0.00 0.00 176.35 176.27 2nln s ASP 59 N -2.37 0.19 0.30 2.29 -1.08 -1.26 0.58 116.67 115.32 2nln s ASP 59 Ca 0.33 -0.59 0.12 0.00 -0.52 0.00 0.00 52.55 51.88 2nln s ASP 59 Cb -0.13 0.25 0.97 0.00 -1.46 0.00 0.00 42.92 42.55 2nln s ASP 59 CO 0.25 -0.56 1.36 0.61 0.52 0.00 0.00 175.17 177.36 2nln n GLY 60 N 0.55 -0.85 0.18 2.66 0.00 -0.37 0.16 105.19 107.52 2nln n GLY 60 Ca -0.18 0.76 -0.17 0.00 0.00 0.00 0.00 46.02 46.43 2nln n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nln h ASP 61 N 0.00 0.73 0.96 1.61 5.19 -1.96 -3.26 116.42 119.68 2nln h ASP 61 Ca 0.65 -0.68 -0.15 0.00 -0.62 0.00 0.00 57.03 56.23 2nln h ASP 61 Cb 1.61 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 2nln h ASP 61 CO -0.72 1.29 -0.72 -0.33 -3.12 0.00 0.00 179.24 175.64 2nln h GLU 62 N 0.22 0.00 -0.94 3.56 4.39 0.01 -3.33 114.58 118.49 2nln h GLU 62 Ca -0.06 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.84 2nln h GLU 62 Cb 1.33 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.80 2nln h GLU 62 CO 0.14 0.72 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.48 2nln h LEU 63 N 0.00 -0.74 -1.91 1.33 3.38 0.15 1.07 115.31 118.60 2nln h LEU 63 Ca -0.01 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2nln h LEU 63 Cb 1.40 0.54 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2nln h LEU 63 CO 0.09 -0.31 0.00 0.07 0.09 0.00 0.00 178.44 178.38 2nln h LYS 64 N 0.01 0.00 0.00 1.13 2.10 -1.74 -2.09 116.57 115.98 2nln h LYS 64 Ca 0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.12 2nln h LYS 64 Cb 0.82 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2nln h LYS 64 CO -0.93 0.00 -0.06 1.88 -2.00 0.00 0.00 179.45 178.34 2nln h TYR 65 N 0.00 0.00 -0.69 0.07 0.05 0.99 -3.34 116.97 114.05 2nln h TYR 65 Ca 0.00 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.90 2nln h TYR 65 Cb 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.67 2nln h TYR 65 CO 0.00 0.06 -0.31 0.27 -1.05 0.00 0.00 178.16 177.13 2nln h PHE 66 N 0.00 -0.82 -0.48 4.88 -5.15 -1.44 1.41 116.94 115.34 2nln h PHE 66 Ca -0.00 0.08 -0.05 0.00 -0.20 0.00 0.00 57.97 57.79 2nln h PHE 66 Cb 0.89 0.46 -0.02 0.00 0.22 0.00 0.00 35.95 37.50 2nln h PHE 66 CO 0.00 -0.37 0.09 -0.07 -2.00 0.00 0.00 178.31 175.95 2nln h LEU 67 N -0.10 0.69 0.00 2.10 3.38 -1.81 -1.77 115.31 117.79 2nln h LEU 67 Ca 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2nln h LEU 67 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2nln h LEU 67 CO -0.75 0.70 0.00 0.00 0.09 0.00 0.00 178.44 178.48 2nln n GLN 68 N -4.28 0.35 -0.08 1.13 6.02 0.42 0.13 117.38 121.08 2nln n GLN 68 Ca 0.03 0.06 -0.14 0.00 -0.01 0.00 0.00 57.00 56.94 2nln n GLN 68 Cb 0.23 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.88 2nln n GLN 68 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2nln h LYS 69 N 0.00 0.00 0.00 -1.09 1.79 0.12 -2.92 116.57 114.47 2nln h LYS 69 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2nln h LYS 69 Cb 0.22 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 2nln h LYS 69 CO 0.00 0.89 -1.09 0.35 -1.08 0.00 0.00 179.45 178.52 2nln h PHE 70 N -1.00 0.00 -0.00 -1.35 3.57 -1.53 -3.38 116.94 113.25 2nln h PHE 70 Ca -0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2nln h PHE 70 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2nln h PHE 70 CO 0.20 1.17 -0.06 0.94 -2.23 0.00 0.00 178.31 178.34 2nln n GLN 71 N -4.47 0.17 -1.81 1.11 7.27 0.36 -4.89 117.38 115.11 2nln n GLN 71 Ca -0.27 -0.02 -0.03 0.00 0.07 0.00 0.00 57.00 56.75 2nln n GLN 71 Cb 0.59 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.73 2nln n GLN 71 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2nln n SER 72 N -1.40 -0.11 -0.36 1.69 2.88 -0.96 -4.36 113.62 111.00 2nln n SER 72 Ca 0.09 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2nln n SER 72 Cb 0.31 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2nln n SER 72 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2nln n ASP 73 N 0.52 0.00 -4.51 -3.46 2.03 -1.26 -4.99 116.55 104.88 2nln n ASP 73 Ca 0.01 -1.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.03 2nln n ASP 73 Cb 0.03 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.65 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nln s ALA 74 N 0.00 0.32 -1.95 -1.67 0.00 -1.26 -4.94 121.76 112.26 2nln s ALA 74 Ca 0.00 -0.38 0.20 0.00 0.00 0.00 0.00 51.96 51.78 2nln s ALA 74 Cb 0.00 -3.13 0.58 0.00 0.00 0.00 0.00 23.12 20.57 2nln s ALA 74 CO 0.00 -3.34 1.48 2.89 0.00 0.00 0.00 175.76 176.79 2nln n ARG 75 N -4.55 2.57 -1.85 0.00 -4.01 -1.26 -4.91 116.66 102.65 2nln n ARG 75 Ca 0.05 -2.36 0.00 0.00 -1.04 0.00 0.00 57.85 54.50 2nln n ARG 75 Cb 0.57 -1.53 0.00 0.00 -3.04 0.00 0.00 32.46 28.46 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 1.38 0.00 -2.67 2.89 1.02 -1.26 -3.96 120.64 118.04 2nln n GLU 76 Ca 0.22 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 2nln n GLU 76 Cb 0.57 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 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 -0.75 -0.31 0.00 -4.62 4.77 -1.25 -4.53 117.00 110.31 2nln n LEU 77 Ca 0.00 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2nln n LEU 77 Cb 0.43 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2nln n LEU 77 CO 0.00 0.04 0.00 0.35 -1.33 0.00 0.00 177.39 176.45 2nln n THR 78 N -2.14 0.00 -0.04 -5.08 -2.24 -1.25 0.77 114.28 104.30 2nln n THR 78 Ca 0.04 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 2nln n THR 78 Cb 0.27 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 2nln n THR 78 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2nln h GLU 79 N 0.00 0.26 0.00 -0.78 4.81 -1.89 -3.33 114.58 113.64 2nln h GLU 79 Ca 0.00 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 58.86 2nln h GLU 79 Cb 0.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2nln h GLU 79 CO 0.00 0.77 -0.99 1.03 -0.73 0.00 0.00 179.01 179.10 2nln h SER 80 N -0.23 0.00 -0.31 1.04 0.87 -1.77 -3.37 113.55 109.79 2nln h SER 80 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2nln h SER 80 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2nln h SER 80 CO 0.04 0.93 -0.08 -0.08 -0.53 0.00 0.00 176.83 177.11 2nln h GLU 81 N 0.00 0.59 0.00 2.24 4.81 -1.33 -1.74 114.58 119.16 2nln h GLU 81 Ca -0.03 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2nln h GLU 81 Cb 1.73 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2nln h GLU 81 CO 0.12 0.79 0.01 1.79 -0.73 0.00 0.00 179.01 180.98 2nln h THR 82 N 0.36 0.00 -0.58 0.32 1.35 0.25 -1.12 112.91 113.50 2nln h THR 82 Ca 0.08 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.07 2nln h THR 82 Cb 0.57 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 2nln h THR 82 CO 0.03 0.00 0.40 0.50 -0.25 0.00 0.00 175.52 176.20 2nln h LYS 83 N 0.00 0.21 0.70 4.72 1.63 -1.47 0.14 116.57 122.50 2nln h LYS 83 Ca 0.00 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2nln h LYS 83 Cb 0.02 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2nln h LYS 83 CO 0.00 0.14 -0.46 1.03 -3.45 0.00 0.00 179.45 176.71 2nln h SER 84 N 0.22 -1.17 -0.75 4.20 0.87 -1.35 1.21 113.55 116.78 2nln h SER 84 Ca 0.28 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.91 2nln h SER 84 Cb 0.79 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 63.06 2nln h SER 84 CO -0.05 -0.69 0.50 -0.07 -0.53 0.00 0.00 176.83 175.99 2nln h LEU 85 N -1.09 0.86 0.32 2.23 4.07 -1.44 0.74 115.31 121.00 2nln h LEU 85 Ca -0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 2nln h LEU 85 Cb 0.89 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2nln h LEU 85 CO 0.07 0.62 -0.15 0.24 -1.08 0.00 0.00 178.44 178.14 2nln h MET 86 N 1.02 -0.41 0.00 1.13 2.86 -0.55 -2.66 114.93 116.31 2nln h MET 86 Ca 0.28 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2nln h MET 86 Cb -0.11 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2nln h MET 86 CO -0.06 -0.19 0.00 -0.25 1.06 0.00 0.00 176.91 177.47 2nln n ASP 87 N -5.22 0.00 0.18 1.22 9.92 0.42 -3.22 116.55 119.85 2nln n ASP 87 Ca -0.10 -0.04 0.07 0.00 -0.53 0.00 0.00 54.79 54.18 2nln n ASP 87 Cb 0.23 -0.26 0.24 0.00 -0.64 0.00 0.00 41.12 40.69 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 2.94 0.87 -1.13 2.24 0.00 0.86 -3.45 119.26 121.60 2nln h ALA 88 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2nln h ALA 88 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2nln h ALA 88 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2nln n ALA 89 N -2.22 0.70 -0.70 0.00 0.00 -1.21 -4.58 120.51 112.51 2nln n ALA 89 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2nln n ALA 89 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 2nln n ALA 89 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nln n ASP 90 N -1.94 3.70 -0.00 0.00 5.68 -1.23 -4.27 116.55 118.49 2nln n ASP 90 Ca 0.00 -2.19 -0.21 0.00 -0.50 0.00 0.00 54.79 51.90 2nln n ASP 90 Cb 0.00 -1.00 -0.14 0.00 -1.14 0.00 0.00 41.12 38.85 2nln n ASP 90 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2nln h ASN 91 N 3.82 0.33 0.68 -1.12 -0.26 -1.85 -2.74 115.58 114.45 2nln h ASN 91 Ca 0.13 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 55.02 2nln h ASN 91 Cb 1.06 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2nln h ASN 91 CO 0.30 1.53 0.00 -0.78 -1.06 0.00 0.00 177.43 177.42 2nln h ASP 92 N -0.42 0.00 0.00 5.81 3.58 -1.92 -3.44 116.42 120.03 2nln h ASP 92 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2nln h ASP 92 Cb 1.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.70 2nln h ASP 92 CO 0.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2nln n GLY 93 N -0.30 -0.68 0.00 -0.78 0.00 -1.25 -5.09 105.19 97.09 2nln n GLY 93 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2nln n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nln n ASP 94 N 0.00 0.00 0.00 1.61 8.00 -1.21 -5.04 116.55 119.91 2nln n ASP 94 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2nln n ASP 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2nln n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nln n GLY 95 N -0.58 1.65 3.65 0.44 0.00 -1.04 -4.96 105.19 104.34 2nln n GLY 95 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.38 -0.36 1.61 2.36 -1.26 -1.24 119.74 123.24 2nln s LYS 96 Ca 0.00 -0.92 0.03 0.00 -2.55 0.00 0.00 55.97 52.53 2nln s LYS 96 Cb 0.00 -2.44 0.11 0.00 -1.05 0.00 0.00 37.83 34.44 2nln s LYS 96 CO 0.00 0.52 0.09 0.42 1.55 0.00 0.00 175.35 177.94 2nln s ILE 97 N -1.30 1.98 0.40 5.43 -1.09 0.20 -3.70 121.20 123.11 2nln s ILE 97 Ca 0.24 -2.27 0.08 0.00 -2.23 0.00 0.00 60.65 56.47 2nln s ILE 97 Cb -0.11 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2nln s ILE 97 CO 0.17 -0.65 0.22 -0.83 -1.23 0.00 0.00 174.94 172.62 2nln s GLY 98 N 0.89 2.19 0.20 6.18 0.00 -1.26 -2.95 107.32 112.57 2nln s GLY 98 Ca 0.12 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 2nln s GLY 98 CO -0.10 -1.82 1.72 0.00 0.00 0.00 0.00 173.10 172.90 2nln h ALA 99 N 1.35 0.68 0.25 3.20 0.00 -1.93 1.50 119.26 124.31 2nln h ALA 99 Ca -0.43 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2nln h ALA 99 Cb 1.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2nln h ALA 99 CO 0.65 -0.27 -0.12 0.22 0.00 0.00 0.00 179.25 179.73 2nln h ASP 100 N 0.30 -0.29 -0.01 0.00 3.58 -1.98 0.29 116.42 118.30 2nln h ASP 100 Ca 0.29 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2nln h ASP 100 Cb 0.39 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2nln h ASP 100 CO -0.35 -0.12 -0.01 -0.33 -2.88 0.00 0.00 179.24 175.55 2nln h GLU 101 N -0.44 -0.01 -0.90 0.28 3.07 -1.79 -1.58 114.58 113.21 2nln h GLU 101 Ca -0.03 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.97 2nln h GLU 101 Cb 0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.15 2nln h GLU 101 CO 0.06 -0.01 0.50 0.35 -1.40 0.00 0.00 179.01 178.51 2nln h PHE 102 N -0.01 0.89 -0.20 4.33 3.04 0.22 0.41 116.94 125.61 2nln h PHE 102 Ca 0.01 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.03 2nln h PHE 102 Cb 0.02 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.26 2nln h PHE 102 CO -0.09 0.25 0.14 1.96 -2.02 0.00 0.00 178.31 178.56 2nln h GLN 103 N 0.73 0.08 -0.74 1.11 4.20 0.53 -1.80 115.11 119.21 2nln h GLN 103 Ca 0.48 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.18 2nln h GLN 103 Cb 0.64 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2nln h GLN 103 CO -0.34 0.05 0.46 0.93 -0.67 0.00 0.00 178.83 179.27 2nln h GLU 104 N 0.09 1.01 0.65 1.46 4.39 0.50 0.02 114.58 122.69 2nln h GLU 104 Ca 0.09 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2nln h GLU 104 Cb 0.26 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2nln h GLU 104 CO -0.01 0.70 -0.37 1.98 -1.16 0.00 0.00 179.01 180.15 2nln h MET 105 N 1.02 -0.92 0.00 2.33 4.05 -1.23 0.23 114.93 120.41 2nln h MET 105 Ca 0.27 0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.74 2nln h MET 105 Cb -0.05 0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2nln h MET 105 CO -0.05 -0.61 -0.03 -0.24 0.23 0.00 0.00 176.91 176.21 2nln h VAL 106 N -0.95 0.68 0.00 -5.77 3.04 -1.49 -0.46 116.25 111.29 2nln h VAL 106 Ca -0.08 -0.12 -0.09 0.00 -1.01 0.00 0.00 66.70 65.40 2nln h VAL 106 Cb 0.76 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2nln h VAL 106 CO 0.10 0.03 -0.42 -0.74 -1.01 0.00 0.00 177.57 175.53 2nln h HIS 107 N 0.00 0.00 0.00 3.17 6.17 -0.36 -3.50 115.15 120.62 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 0.07 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.00 2nln h HIS 107 CO 0.00 0.42 0.00 0.45 0.71 0.00 0.00 177.93 179.51