#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 -1.00 0.44 5.41 -1.26 -4.71 119.36 118.24 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 -4.98 114.28 107.19 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 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.01 0.00 -4.25 3.42 8.00 -1.26 -4.31 116.55 118.14 2nln n ASP 4 Ca 0.00 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 2nln n ASP 4 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.15 4.80 -0.06 0.53 1.09 -1.26 -5.00 121.20 121.14 2nln s ILE 5 Ca 0.00 -2.28 -0.31 0.00 -1.10 0.00 0.00 60.65 56.96 2nln s ILE 5 Cb 0.00 -4.05 0.12 0.00 -1.06 0.00 0.00 42.46 37.47 2nln s ILE 5 CO 0.00 -0.91 1.20 -0.76 -0.10 0.00 0.00 174.94 174.36 2nln s LEU 6 N 0.60 -0.12 -0.28 2.97 1.43 -1.26 -4.98 118.68 117.04 2nln s LEU 6 Ca 0.13 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 2nln s LEU 6 Cb -0.19 1.51 -0.01 0.00 0.03 0.00 0.00 46.19 47.53 2nln s LEU 6 CO -0.04 -0.36 0.68 -0.44 0.23 0.00 0.00 176.35 176.42 2nln s SER 7 N -2.65 6.60 0.17 2.29 0.01 -1.26 -4.97 113.70 113.89 2nln s SER 7 Ca 0.12 0.66 -0.15 0.00 1.31 0.00 0.00 55.95 57.88 2nln s SER 7 Cb 0.02 -2.36 0.11 0.00 0.21 0.00 0.00 66.02 64.00 2nln s SER 7 CO -0.04 -0.47 1.74 0.00 0.41 0.00 0.00 173.24 174.88 2nln h ALA 8 N 8.00 0.46 0.19 1.44 0.00 -1.98 -1.32 119.26 126.06 2nln h ALA 8 Ca -0.26 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2nln h ALA 8 Cb 1.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nln h ALA 8 CO 0.81 -0.29 -0.09 0.93 0.00 0.00 0.00 179.25 180.61 2nln h GLU 9 N 0.25 -0.25 -0.97 0.00 4.39 -1.98 0.11 114.58 116.12 2nln h GLU 9 Ca 0.20 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.13 2nln h GLU 9 Cb 0.21 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.84 2nln h GLU 9 CO -0.23 -0.03 0.63 -0.44 -1.16 0.00 0.00 179.01 177.77 2nln h ASP 10 N -0.44 0.52 -0.11 1.42 5.19 -1.92 0.29 116.42 121.38 2nln h ASP 10 Ca -0.03 0.07 -0.20 0.00 -0.62 0.00 0.00 57.03 56.25 2nln h ASP 10 Cb 0.34 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.83 2nln h ASP 10 CO 0.04 0.17 -0.73 0.40 -3.12 0.00 0.00 179.24 176.00 2nln h ILE 11 N 0.50 1.31 0.19 0.35 2.04 -0.82 0.21 117.51 121.29 2nln h ILE 11 Ca 0.54 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 2nln h ILE 11 Cb 1.20 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2nln h ILE 11 CO -0.27 0.61 -0.09 0.00 0.00 0.00 0.00 178.15 178.40 2nln h ALA 12 N 0.49 -0.26 0.26 1.87 0.00 0.19 1.22 119.26 123.04 2nln h ALA 12 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2nln h ALA 12 Cb 1.38 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2nln h ALA 12 CO 0.15 -0.65 -0.13 0.00 0.00 0.00 0.00 179.25 178.63 2nln h ALA 13 N 0.56 -0.35 -0.74 0.00 0.00 -0.63 1.52 119.26 119.62 2nln h ALA 13 Ca -0.02 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.90 2nln h ALA 13 Cb 0.20 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 2nln h ALA 13 CO 0.04 -0.59 0.15 0.00 0.00 0.00 0.00 179.25 178.85 2nln h ALA 14 N 0.09 0.93 0.12 0.00 0.00 -0.42 1.24 119.26 121.22 2nln h ALA 14 Ca -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2nln h ALA 14 Cb 0.42 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2nln h ALA 14 CO 0.06 -0.36 -0.06 1.25 0.00 0.00 0.00 179.25 180.14 2nln h LEU 15 N 0.24 -0.14 0.00 0.00 6.46 0.17 -3.34 115.31 118.69 2nln h LEU 15 Ca 0.42 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 2nln h LEU 15 Cb 0.72 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2nln h LEU 15 CO -0.53 0.37 0.00 0.00 -0.62 0.00 0.00 178.44 177.66 2nln n GLN 16 N -4.88 0.26 0.00 1.25 1.13 0.52 -3.04 117.38 112.62 2nln n GLN 16 Ca -0.03 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 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 -1.19 0.00 -0.11 -1.09 2.13 0.43 -4.35 120.64 116.45 2nln n GLU 17 Ca 0.07 0.30 0.08 0.00 0.66 0.00 0.00 57.16 58.28 2nln n GLU 17 Cb 0.09 -1.16 0.14 0.00 0.27 0.00 0.00 31.44 30.77 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 0.97 0.37 0.00 0.00 7.27 -1.17 -4.57 117.38 120.25 2nln n GLN 19 Ca 0.13 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2nln n GLN 19 Cb 0.46 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.83 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 1.75 0.00 -2.36 1.69 8.00 -1.26 -4.91 116.55 119.45 2nln n ASP 20 Ca 0.13 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.44 2nln n ASP 20 Cb 0.33 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.42 2.47 0.00 -0.24 -0.04 -1.26 -3.31 135.00 132.21 2nln n PRO 21 Ca 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 2nln n PRO 21 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2nln n PRO 21 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2nln n ASP 22 N 2.69 0.00 -0.05 3.54 2.03 -1.26 -3.42 116.55 120.07 2nln n ASP 22 Ca 0.52 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.72 2nln n ASP 22 Cb 0.73 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.98 2nln n ASP 22 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2nln n THR 23 N 0.00 1.55 0.00 5.18 -2.24 -1.21 -4.84 114.28 112.72 2nln n THR 23 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2nln n THR 23 Cb 0.00 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 -3.03 0.00 0.01 4.78 3.01 -1.26 -4.95 117.46 116.02 2nln n PHE 24 Ca -0.27 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.01 2nln n PHE 24 Cb 1.08 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.43 2nln n PHE 24 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2nln h GLU 25 N 0.00 0.35 0.00 -1.08 5.08 -1.90 -3.32 114.58 113.70 2nln h GLU 25 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2nln h GLU 25 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2nln h GLU 25 CO 0.00 1.11 -0.14 -1.00 -1.00 0.00 0.00 179.01 177.98 2nln h PRO 26 N -0.23 0.00 -0.66 2.33 0.13 -1.95 -3.36 132.00 128.26 2nln h PRO 26 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2nln h PRO 26 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 2nln h PRO 26 CO 0.11 0.00 0.38 0.37 -0.23 0.00 0.00 178.00 178.63 2nln h GLN 27 N -0.56 0.90 -0.31 0.86 -0.00 -1.88 -2.75 115.11 111.37 2nln h GLN 27 Ca 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.65 58.47 2nln h GLN 27 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 2nln h GLN 27 CO 0.00 0.65 -0.18 -0.22 0.00 0.00 0.00 178.83 179.07 2nln h LYS 28 N 0.91 0.67 -0.66 1.69 3.64 -1.80 -2.68 116.57 118.34 2nln h LYS 28 Ca 0.24 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2nln h LYS 28 Cb -0.01 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2nln h LYS 28 CO -0.04 0.91 0.40 0.27 -2.27 0.00 0.00 179.45 178.71 2nln h PHE 29 N 0.43 0.74 0.21 1.91 -5.15 -1.66 -1.85 116.94 111.56 2nln h PHE 29 Ca 0.06 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.87 2nln h PHE 29 Cb 0.72 -0.24 -0.04 0.00 0.22 0.00 0.00 35.95 36.62 2nln h PHE 29 CO 0.06 0.40 -0.39 0.74 -2.00 0.00 0.00 178.31 177.12 2nln h PHE 30 N 0.76 -1.09 0.35 6.09 0.04 -1.33 -2.61 116.94 119.15 2nln h PHE 30 Ca 0.28 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 2nln h PHE 30 Cb 0.08 0.45 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2nln h PHE 30 CO -0.06 -0.51 -0.21 1.96 -0.60 0.00 0.00 178.31 178.89 2nln h GLN 31 N -0.68 -0.51 -0.73 1.51 1.08 -1.21 1.85 115.11 116.42 2nln h GLN 31 Ca 0.01 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.35 2nln h GLN 31 Cb 0.67 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 28.10 2nln h GLN 31 CO -0.18 -0.34 -0.42 1.15 -0.95 0.00 0.00 178.83 178.10 2nln h THR 32 N -0.53 0.07 0.00 -0.54 2.02 -1.40 -1.05 112.91 111.49 2nln h THR 32 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2nln h THR 32 Cb 0.42 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2nln h THR 32 CO 0.05 0.00 -0.12 -1.28 0.37 0.00 0.00 175.52 174.54 2nln h SER 33 N -0.13 0.00 0.00 4.18 0.87 -1.48 -3.45 113.55 113.54 2nln h SER 33 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2nln h SER 33 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2nln h SER 33 CO -0.79 0.52 -0.14 0.61 -0.53 0.00 0.00 176.83 176.50 2nln n GLY 34 N 1.75 -0.46 0.33 5.77 0.00 0.44 -4.73 105.19 108.29 2nln n GLY 34 Ca -0.02 -0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.14 0.36 -1.32 0.99 4.07 0.21 0.12 115.31 119.60 2nln h LEU 35 Ca 0.00 0.18 0.38 0.00 0.08 0.00 0.00 57.88 58.53 2nln h LEU 35 Cb 0.14 0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 2nln h LEU 35 CO 0.00 -0.10 1.25 -1.54 -1.08 0.00 0.00 178.44 176.97 2nln n SER 36 N -5.09 0.00 0.00 -0.43 3.41 -0.40 -3.08 113.62 108.04 2nln n SER 36 Ca 0.27 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2nln n SER 36 Cb 0.83 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2nln n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nln n LYS 37 N -3.40 0.12 -1.49 4.33 4.76 0.27 -5.11 118.16 117.63 2nln n LYS 37 Ca 0.30 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.35 2nln n LYS 37 Cb 1.64 -0.52 0.03 0.00 -1.84 0.00 0.00 35.03 34.35 2nln n LYS 37 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2nln n MET 38 N -0.57 0.63 -1.64 1.97 2.81 -0.32 -4.98 117.12 115.01 2nln n MET 38 Ca 0.00 0.24 -0.30 0.00 -1.81 0.00 0.00 57.70 55.83 2nln n MET 38 Cb 0.02 -1.75 0.18 0.00 -0.71 0.00 0.00 33.22 30.96 2nln n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2nln s SER 39 N -1.11 2.73 0.09 7.83 0.01 -1.26 -4.85 113.70 117.14 2nln s SER 39 Ca 0.68 0.52 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 2nln s SER 39 Cb -0.47 -0.75 -0.07 0.00 0.21 0.00 0.00 66.02 64.94 2nln s SER 39 CO 0.54 -2.99 1.53 0.00 0.41 0.00 0.00 173.24 172.73 2nln h ALA 40 N -1.81 0.36 -0.21 1.44 0.00 -1.93 -3.23 119.26 113.88 2nln h ALA 40 Ca -0.46 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.27 2nln h ALA 40 Cb 1.27 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2nln h ALA 40 CO 0.43 0.10 -0.53 0.66 0.00 0.00 0.00 179.25 179.91 2nln h SER 41 N 0.26 -1.72 0.15 0.00 4.64 -2.00 -0.35 113.55 114.52 2nln h SER 41 Ca 0.08 0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 2nln h SER 41 Cb 0.41 0.68 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2nln h SER 41 CO 0.01 -0.45 -0.09 0.06 -0.87 0.00 0.00 176.83 175.50 2nln h GLN 42 N -0.51 0.00 -0.19 4.77 3.07 -1.97 -0.32 115.11 119.96 2nln h GLN 42 Ca 0.04 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.84 2nln h GLN 42 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 2nln h GLN 42 CO -0.47 0.09 0.18 0.28 0.09 0.00 0.00 178.83 179.00 2nln h VAL 43 N 0.00 0.58 -0.25 1.86 2.07 -1.07 0.12 116.25 119.56 2nln h VAL 43 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2nln h VAL 43 Cb 0.19 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2nln h VAL 43 CO 0.01 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.70 2nln h LYS 44 N 0.00 0.06 -0.42 1.57 1.57 -0.88 0.60 116.57 119.08 2nln h LYS 44 Ca 0.09 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2nln h LYS 44 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2nln h LYS 44 CO -0.00 0.04 -0.08 0.22 -0.57 0.00 0.00 179.45 179.06 2nln h ASP 45 N 0.07 0.80 0.39 0.86 1.82 -0.95 -3.17 116.42 116.24 2nln h ASP 45 Ca 0.12 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 2nln h ASP 45 Cb 0.15 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 2nln h ASP 45 CO -0.20 0.96 -0.28 0.40 -1.61 0.00 0.00 179.24 178.51 2nln h ILE 46 N 0.62 0.42 -1.72 2.25 5.03 -0.70 -1.88 117.51 121.53 2nln h ILE 46 Ca 0.11 0.00 0.51 0.00 -0.12 0.00 0.00 64.86 65.36 2nln h ILE 46 Cb 0.60 0.42 -0.08 0.00 -3.03 0.00 0.00 36.82 34.73 2nln h ILE 46 CO 0.04 0.00 1.22 0.15 -0.68 0.00 0.00 178.15 178.88 2nln h PHE 47 N -0.66 0.08 -0.17 1.37 3.57 0.22 0.80 116.94 122.16 2nln h PHE 47 Ca -0.04 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2nln h PHE 47 Cb 0.56 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2nln h PHE 47 CO -0.13 -0.03 0.28 0.00 -2.23 0.00 0.00 178.31 176.20 2nln h ARG 48 N 0.01 0.00 0.05 1.11 2.47 -1.34 -2.59 114.38 114.10 2nln h ARG 48 Ca 0.85 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.58 2nln h ARG 48 Cb 3.30 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 31.59 2nln h ARG 48 CO -0.08 0.00 -0.33 0.35 0.56 0.00 0.00 179.97 180.47 2nln h PHE 49 N 0.00 -0.96 -0.01 3.04 3.57 0.48 -3.42 116.94 119.64 2nln h PHE 49 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2nln h PHE 49 Cb 0.64 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2nln h PHE 49 CO 0.00 -0.37 0.00 0.44 -2.23 0.00 0.00 178.31 176.15 2nln n ILE 50 N -4.32 0.00 -1.54 1.41 -5.35 -0.98 -4.66 119.36 103.92 2nln n ILE 50 Ca -0.05 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.13 2nln n ILE 50 Cb 0.25 -0.03 0.10 0.00 -1.74 0.00 0.00 39.64 38.22 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 -1.90 4.35 0.00 7.28 1.11 -1.26 -4.84 116.67 121.41 2nln s ASP 51 Ca 0.00 1.28 0.00 0.00 0.18 0.00 0.00 52.55 54.01 2nln s ASP 51 Cb 0.00 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 41.99 2nln s ASP 51 CO 0.00 -2.06 0.00 -3.20 1.18 0.00 0.00 175.17 171.09 2nln n ASN 52 N -3.49 2.21 -2.77 0.27 4.05 -1.26 -4.74 115.26 109.54 2nln n ASN 52 Ca 0.07 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 55.00 2nln n ASN 52 Cb 0.56 0.00 0.06 0.00 1.23 0.00 0.00 39.78 41.63 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 -2.61 -0.29 0.40 1.20 8.00 -1.26 -4.94 116.55 117.05 2nln n ASP 53 Ca 0.00 -2.82 -0.16 0.00 0.71 0.00 0.00 54.79 52.52 2nln n ASP 53 Cb 0.45 0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 2nln n ASP 53 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2nln h GLN 54 N 2.67 -0.98 -0.18 -1.24 4.20 -1.93 -3.42 115.11 114.23 2nln h GLN 54 Ca -0.13 0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 2nln h GLN 54 Cb 1.17 0.22 -0.22 0.00 0.30 0.00 0.00 27.48 28.96 2nln h GLN 54 CO 0.26 -0.65 -0.53 0.43 -0.67 0.00 0.00 178.83 177.67 2nln n SER 55 N -4.95 -0.85 0.00 1.46 7.64 -1.26 -4.96 113.62 110.71 2nln n SER 55 Ca -0.13 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.42 2nln n SER 55 Cb 0.40 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 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 -0.91 2.99 3.59 0.23 0.00 -1.26 -4.95 105.19 104.88 2nln n GLY 56 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.37 -0.08 0.00 1.61 1.51 -1.26 -4.98 117.35 111.78 2nln s TYR 57 Ca 0.00 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 2nln s TYR 57 Cb 0.00 0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 42.24 2nln s TYR 57 CO 0.00 -0.99 0.15 -0.51 -1.11 0.00 0.00 175.55 173.09 2nln s LEU 58 N -2.90 4.20 0.03 -1.29 1.43 -0.82 -4.52 118.68 114.81 2nln s LEU 58 Ca 0.11 0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2nln s LEU 58 Cb -0.02 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 2nln s LEU 58 CO 0.00 0.25 0.16 -0.62 0.23 0.00 0.00 176.35 176.37 2nln s ASP 59 N -1.95 0.06 0.43 2.29 -1.08 -1.26 0.15 116.67 115.31 2nln s ASP 59 Ca 0.27 -0.36 0.37 0.00 -0.52 0.00 0.00 52.55 52.31 2nln s ASP 59 Cb -0.12 0.25 1.38 0.00 -1.46 0.00 0.00 42.92 42.97 2nln s ASP 59 CO 0.18 -0.49 1.31 0.61 0.52 0.00 0.00 175.17 177.30 2nln n GLY 60 N 0.92 -0.78 0.08 2.66 0.00 -1.19 0.98 105.19 107.87 2nln n GLY 60 Ca -0.20 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.06 1.10 1.61 3.32 -1.96 -3.34 116.42 117.10 2nln h ASP 61 Ca 0.77 -0.56 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 2nln h ASP 61 Cb 2.87 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 42.42 2nln h ASP 61 CO -0.16 0.57 -0.75 -0.33 -1.72 0.00 0.00 179.24 176.85 2nln h GLU 62 N -0.74 0.00 -1.17 3.56 5.08 0.22 -3.35 114.58 118.19 2nln h GLU 62 Ca -0.01 0.00 0.42 0.00 -1.00 0.00 0.00 59.36 58.77 2nln h GLU 62 Cb 0.62 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 2nln h GLU 62 CO 0.01 0.75 0.70 -0.07 -1.00 0.00 0.00 179.01 179.40 2nln h LEU 63 N 0.00 0.31 -2.53 1.33 3.38 0.09 0.60 115.31 118.49 2nln h LEU 63 Ca -0.01 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2nln h LEU 63 Cb 1.50 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2nln h LEU 63 CO 0.10 -0.28 -0.02 0.11 0.09 0.00 0.00 178.44 178.43 2nln h LYS 64 N 0.08 0.00 0.00 1.13 1.57 -1.78 -1.59 116.57 115.98 2nln h LYS 64 Ca 0.83 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.61 2nln h LYS 64 Cb 2.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.68 2nln h LYS 64 CO -0.58 0.02 0.00 1.88 -0.57 0.00 0.00 179.45 180.20 2nln h TYR 65 N 0.00 0.00 -0.56 -1.35 0.05 -0.06 -3.31 116.97 111.74 2nln h TYR 65 Ca -0.00 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.89 2nln h TYR 65 Cb 0.10 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.72 2nln h TYR 65 CO 0.00 0.00 -0.26 0.27 -1.05 0.00 0.00 178.16 177.12 2nln h PHE 66 N 0.00 -0.68 -0.78 4.88 -5.15 -1.41 1.50 116.94 115.29 2nln h PHE 66 Ca 0.00 0.06 0.02 0.00 -0.20 0.00 0.00 57.97 57.86 2nln h PHE 66 Cb 0.56 0.38 -0.04 0.00 0.22 0.00 0.00 35.95 37.08 2nln h PHE 66 CO 0.00 -0.34 0.51 -0.07 -2.00 0.00 0.00 178.31 176.41 2nln h LEU 67 N -0.12 0.85 -0.36 2.10 3.38 -1.80 -0.86 115.31 118.51 2nln h LEU 67 Ca 0.25 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2nln h LEU 67 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2nln h LEU 67 CO -0.64 0.60 -0.25 1.56 0.09 0.00 0.00 178.44 179.81 2nln h GLN 68 N 1.00 0.80 0.59 1.13 4.20 0.02 1.26 115.11 124.10 2nln h GLN 68 Ca 0.30 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2nln h GLN 68 Cb -0.03 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2nln h GLN 68 CO -0.08 1.01 -0.43 0.87 -0.67 0.00 0.00 178.83 179.54 2nln h LYS 69 N 0.59 -0.94 -0.21 1.46 1.79 0.28 1.27 116.57 120.81 2nln h LYS 69 Ca 0.07 0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.57 2nln h LYS 69 Cb 0.81 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 2nln h LYS 69 CO 0.07 -0.63 -0.01 0.35 -1.08 0.00 0.00 179.45 178.15 2nln h PHE 70 N -0.98 0.41 0.00 -1.35 3.57 -1.21 -3.39 116.94 113.99 2nln h PHE 70 Ca -0.07 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2nln h PHE 70 Cb 0.82 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2nln h PHE 70 CO -0.15 0.57 0.00 0.94 -2.23 0.00 0.00 178.31 177.44 2nln n GLN 71 N -4.67 0.00 0.00 1.11 7.27 0.43 -5.03 117.38 116.49 2nln n GLN 71 Ca -0.04 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.30 2nln n GLN 71 Cb 0.24 -0.74 0.00 0.00 2.41 0.00 0.00 30.24 32.15 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 -1.83 0.00 -0.72 1.69 2.88 0.44 -4.97 113.62 111.11 2nln n SER 72 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2nln n SER 72 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.00 -0.45 -4.64 -3.46 2.03 -1.26 -4.99 116.55 103.78 2nln n ASP 73 Ca 0.00 -1.43 -0.31 0.00 0.52 0.00 0.00 54.79 53.57 2nln n ASP 73 Cb 0.00 0.13 0.18 0.00 -0.72 0.00 0.00 41.12 40.72 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 1.14 -2.22 -1.67 0.00 -1.26 -4.91 121.76 112.83 2nln s ALA 74 Ca 0.00 0.49 0.27 0.00 0.00 0.00 0.00 51.96 52.72 2nln s ALA 74 Cb 0.00 -3.42 0.77 0.00 0.00 0.00 0.00 23.12 20.47 2nln s ALA 74 CO 0.00 -2.97 1.58 2.89 0.00 0.00 0.00 175.76 177.26 2nln n ARG 75 N -4.37 1.37 0.00 0.00 -4.01 -1.26 -4.91 116.66 103.48 2nln n ARG 75 Ca 0.11 -0.88 0.00 0.00 -1.04 0.00 0.00 57.85 56.04 2nln n ARG 75 Cb 0.52 -1.48 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 -0.05 0.00 0.00 2.89 1.02 -1.26 -4.68 120.64 118.55 2nln n GLU 76 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2nln n GLU 76 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 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 -0.63 1.34 0.00 -4.62 4.77 -1.25 -4.97 117.00 111.63 2nln n LEU 77 Ca 0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2nln n LEU 77 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2nln n LEU 77 CO 0.00 0.26 0.00 0.35 -1.33 0.00 0.00 177.39 176.67 2nln n THR 78 N 0.35 0.00 -0.11 -5.08 -2.24 -1.26 0.23 114.28 106.17 2nln n THR 78 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2nln n THR 78 Cb 0.26 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.56 0.22 -0.78 4.81 -1.93 -3.22 114.58 114.24 2nln h GLU 79 Ca 0.00 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2nln h GLU 79 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2nln h GLU 79 CO 0.00 0.67 -0.10 1.03 -0.73 0.00 0.00 179.01 179.87 2nln h SER 80 N 0.38 -0.25 -0.61 1.04 0.87 -1.79 -3.33 113.55 109.87 2nln h SER 80 Ca 0.10 -0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.44 2nln h SER 80 Cb 0.39 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 2nln h SER 80 CO 0.01 0.26 0.31 -0.08 -0.53 0.00 0.00 176.83 176.80 2nln h GLU 81 N -0.88 0.55 -0.06 2.24 4.22 -1.13 0.19 114.58 119.71 2nln h GLU 81 Ca -0.03 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.40 2nln h GLU 81 Cb 0.51 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2nln h GLU 81 CO 0.05 0.36 0.22 1.79 -2.18 0.00 0.00 179.01 179.25 2nln h THR 82 N 0.57 0.12 -0.48 0.32 1.35 -0.22 0.66 112.91 115.23 2nln h THR 82 Ca 0.28 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.19 2nln h THR 82 Cb 0.22 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 2nln h THR 82 CO -0.20 0.00 0.32 0.50 -0.25 0.00 0.00 175.52 175.89 2nln h LYS 83 N 0.00 0.44 0.54 4.72 3.64 -0.72 0.69 116.57 125.88 2nln h LYS 83 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2nln h LYS 83 Cb 0.47 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2nln h LYS 83 CO -0.00 0.29 -0.26 0.77 -2.27 0.00 0.00 179.45 177.98 2nln h SER 84 N 0.46 -0.61 -0.81 4.20 0.02 0.25 1.36 113.55 118.42 2nln h SER 84 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2nln h SER 84 Cb 0.23 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2nln h SER 84 CO -0.05 -0.40 0.45 -0.07 -1.14 0.00 0.00 176.83 175.62 2nln h LEU 85 N -0.76 1.00 -0.13 5.07 3.38 -1.38 0.18 115.31 122.68 2nln h LEU 85 Ca -0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2nln h LEU 85 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2nln h LEU 85 CO 0.12 0.81 0.08 0.24 0.09 0.00 0.00 178.44 179.78 2nln h MET 86 N 1.12 0.17 0.00 1.13 2.86 0.57 -1.06 114.93 119.72 2nln h MET 86 Ca 0.29 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2nln h MET 86 Cb 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2nln h MET 86 CO -0.05 0.12 0.00 -0.25 1.06 0.00 0.00 176.91 177.80 2nln n ASP 87 N -4.99 0.00 0.15 1.22 9.92 0.47 -3.25 116.55 120.06 2nln n ASP 87 Ca -0.05 -0.18 0.01 0.00 -0.53 0.00 0.00 54.79 54.04 2nln n ASP 87 Cb 0.03 -0.18 0.21 0.00 -0.64 0.00 0.00 41.12 40.54 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 2.95 0.95 0.00 2.24 0.00 0.73 -3.46 119.26 122.68 2nln h ALA 88 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2nln h ALA 88 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2nln h ALA 88 CO 0.00 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.94 2nln n ALA 89 N -2.38 0.43 -0.23 0.00 0.00 -1.20 -4.70 120.51 112.43 2nln n ALA 89 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2nln n ALA 89 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.51 1.44 -0.01 0.00 5.68 -1.23 -3.91 116.55 116.01 2nln n ASP 90 Ca 0.00 -1.63 -0.21 0.00 -0.50 0.00 0.00 54.79 52.44 2nln n ASP 90 Cb 0.00 -0.36 -0.13 0.00 -1.14 0.00 0.00 41.12 39.48 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 4.48 0.32 -0.56 -1.12 -0.26 -1.88 -2.32 115.58 114.24 2nln h ASN 91 Ca 0.03 -0.82 -0.17 0.00 -0.56 0.00 0.00 56.30 54.79 2nln h ASN 91 Cb 0.37 -0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 37.42 2nln h ASN 91 CO 0.28 1.63 0.15 -0.67 -1.06 0.00 0.00 177.43 177.76 2nln n ASP 92 N -3.94 4.12 0.00 5.81 2.03 -1.25 -4.86 116.55 118.45 2nln n ASP 92 Ca -0.27 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 51.74 2nln n ASP 92 Cb 0.88 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2nln n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nln n GLY 93 N -0.47 1.69 2.69 0.27 0.00 -1.25 -5.07 105.19 103.04 2nln n GLY 93 Ca 0.36 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.24 -1.47 1.61 8.00 -1.26 -5.00 116.55 118.68 2nln n ASP 94 Ca 0.00 -2.55 -0.14 0.00 0.71 0.00 0.00 54.79 52.81 2nln n ASP 94 Cb 0.00 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.35 1.28 3.46 0.44 0.00 -0.87 -4.95 105.19 104.20 2nln n GLY 95 Ca 0.04 0.00 -0.33 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 -3.30 3.43 -0.44 1.61 2.36 -1.26 -3.16 119.74 118.98 2nln s LYS 96 Ca 0.00 -0.59 -0.07 0.00 -2.55 0.00 0.00 55.97 52.76 2nln s LYS 96 Cb 0.00 -2.75 0.11 0.00 -1.05 0.00 0.00 37.83 34.14 2nln s LYS 96 CO 0.00 0.29 0.28 0.42 1.55 0.00 0.00 175.35 177.89 2nln s ILE 97 N 0.20 3.83 0.40 5.43 -1.09 0.39 -3.81 121.20 126.55 2nln s ILE 97 Ca -0.05 -1.88 0.07 0.00 -2.23 0.00 0.00 60.65 56.57 2nln s ILE 97 Cb -0.14 -3.55 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 2nln s ILE 97 CO 0.04 -0.73 0.05 -0.83 -1.23 0.00 0.00 174.94 172.23 2nln s GLY 98 N 2.31 2.40 0.21 6.18 0.00 -1.26 -1.95 107.32 115.20 2nln s GLY 98 Ca 0.07 -2.21 -0.10 0.00 0.00 0.00 0.00 44.72 42.48 2nln s GLY 98 CO -0.02 -2.03 1.72 0.00 0.00 0.00 0.00 173.10 172.78 2nln h ALA 99 N 1.71 0.73 -0.02 3.20 0.00 -1.95 1.26 119.26 124.17 2nln h ALA 99 Ca -0.43 0.11 -0.00 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 19.15 2nln h ALA 99 CO 0.76 -0.26 0.01 0.38 0.00 0.00 0.00 179.25 180.14 2nln h ASP 100 N 0.32 0.03 0.48 0.00 2.03 -1.97 1.03 116.42 118.34 2nln h ASP 100 Ca 0.30 -0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 56.47 2nln h ASP 100 Cb 0.42 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 2nln h ASP 100 CO -0.35 0.13 -0.24 -0.08 -1.03 0.00 0.00 179.24 177.67 2nln h GLU 101 N -0.08 -0.63 -0.45 4.15 4.22 -1.66 -0.86 114.58 119.29 2nln h GLU 101 Ca 0.01 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.55 2nln h GLU 101 Cb 0.11 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2nln h GLU 101 CO -0.00 -0.42 0.13 0.35 -2.18 0.00 0.00 179.01 176.89 2nln h PHE 102 N -0.65 0.23 -0.49 0.92 3.04 0.16 -0.77 116.94 119.37 2nln h PHE 102 Ca -0.06 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.00 2nln h PHE 102 Cb 0.51 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 2nln h PHE 102 CO -0.05 0.06 0.34 1.96 -2.02 0.00 0.00 178.31 178.60 2nln h GLN 103 N 0.29 0.29 -0.65 1.11 1.08 0.14 -0.59 115.11 116.77 2nln h GLN 103 Ca 0.21 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 2nln h GLN 103 Cb 0.24 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2nln h GLN 103 CO -0.24 0.19 0.31 1.05 -0.95 0.00 0.00 178.83 179.19 2nln h GLU 104 N 0.30 0.93 0.32 1.46 -0.00 0.33 -2.00 114.58 115.91 2nln h GLU 104 Ca 0.23 -0.12 -0.02 0.00 -0.00 0.00 0.00 59.36 59.45 2nln h GLU 104 Cb 0.50 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2nln h GLU 104 CO -0.05 0.72 -0.15 1.98 -0.00 0.00 0.00 179.01 181.50 2nln h MET 105 N 0.92 -0.41 -0.05 1.06 4.05 -0.95 0.73 114.93 120.28 2nln h MET 105 Ca 0.23 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.66 2nln h MET 105 Cb 0.09 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2nln h MET 105 CO -0.03 -0.21 -0.05 -0.24 0.23 0.00 0.00 176.91 176.62 2nln h VAL 106 N -0.53 1.07 0.14 -5.77 3.04 -1.45 -2.31 116.25 110.44 2nln h VAL 106 Ca -0.04 -0.30 -0.29 0.00 -1.01 0.00 0.00 66.70 65.06 2nln h VAL 106 Cb 0.40 1.08 0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2nln h VAL 106 CO 0.07 0.09 -1.34 -0.74 -1.01 0.00 0.00 177.57 174.65 2nln h HIS 107 N 0.07 0.54 0.00 3.17 -0.00 -1.09 -3.49 115.15 114.35 2nln h HIS 107 Ca 0.02 -0.39 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2nln h HIS 107 Cb 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2nln h HIS 107 CO 0.00 1.33 0.00 -1.13 -0.00 0.00 0.00 177.93 178.14