#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 -0.02 1.32 0.44 -0.00 -1.26 -4.70 119.36 115.13 2nln n ILE 2 Ca 0.00 -0.51 0.14 0.00 -0.00 0.00 0.00 62.75 62.38 2nln n ILE 2 Cb 0.00 -1.58 0.61 0.00 -0.00 0.00 0.00 39.64 38.67 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 7.77 0.00 0.00 1.39 -2.24 -1.26 -4.58 114.28 115.36 2nln n THR 3 Ca 0.51 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 2nln n THR 3 Cb 0.35 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.15 0.00 -4.23 3.42 8.00 -1.26 -4.06 116.55 117.27 2nln n ASP 4 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2nln n ASP 4 Cb 0.28 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 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 4.79 -0.18 0.53 1.01 -1.26 -4.96 121.20 121.12 2nln s ILE 5 Ca 0.00 -2.69 -0.31 0.00 0.00 0.00 0.00 60.65 57.65 2nln s ILE 5 Cb 0.00 -4.01 0.14 0.00 0.01 0.00 0.00 42.46 38.60 2nln s ILE 5 CO 0.00 -0.96 1.11 -0.76 0.00 0.00 0.00 174.94 174.33 2nln s LEU 6 N 0.06 -0.25 -1.10 2.97 1.02 -1.26 -4.90 118.68 115.23 2nln s LEU 6 Ca 0.17 0.20 -0.22 0.00 0.02 0.00 0.00 54.13 54.30 2nln s LEU 6 Cb -0.15 1.60 0.01 0.00 0.02 0.00 0.00 46.19 47.67 2nln s LEU 6 CO -0.06 -0.28 1.74 -0.55 0.02 0.00 0.00 176.35 177.21 2nln s SER 7 N -1.43 5.99 0.65 2.29 0.15 -1.26 -4.77 113.70 115.31 2nln s SER 7 Ca 0.04 -1.58 0.05 0.00 0.70 0.00 0.00 55.95 55.15 2nln s SER 7 Cb -0.01 -2.57 0.17 0.00 -1.71 0.00 0.00 66.02 61.90 2nln s SER 7 CO -0.03 -2.01 1.05 0.00 1.20 0.00 0.00 173.24 173.44 2nln n ALA 8 N 11.01 0.19 0.06 5.45 0.00 -1.26 0.24 120.51 136.19 2nln n ALA 8 Ca 0.41 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.71 2nln n ALA 8 Cb 0.48 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 2nln n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2nln h GLU 9 N 0.00 0.67 0.00 0.00 4.39 -2.01 -3.31 114.58 114.32 2nln h GLU 9 Ca 0.09 -0.78 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 2nln h GLU 9 Cb 2.16 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 31.04 2nln h GLU 9 CO -0.00 1.34 -0.05 0.38 -1.16 0.00 0.00 179.01 179.52 2nln h ASP 10 N 0.35 0.00 -0.34 1.42 3.04 0.27 -3.30 116.42 117.85 2nln h ASP 10 Ca -0.15 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.47 2nln h ASP 10 Cb 1.78 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.06 2nln h ASP 10 CO 0.22 0.05 -0.45 0.40 -2.04 0.00 0.00 179.24 177.42 2nln h ILE 11 N 0.00 1.27 0.19 4.15 2.04 -1.37 0.69 117.51 124.49 2nln h ILE 11 Ca -0.00 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 2nln h ILE 11 Cb 0.99 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2nln h ILE 11 CO 0.01 0.54 -0.09 0.00 0.00 0.00 0.00 178.15 178.60 2nln h ALA 12 N 0.73 -0.26 0.41 1.87 0.00 -1.66 1.55 119.26 121.92 2nln h ALA 12 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2nln h ALA 12 Cb 1.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2nln h ALA 12 CO 0.11 -0.64 -0.20 0.00 0.00 0.00 0.00 179.25 178.52 2nln h ALA 13 N 0.53 -0.55 -0.79 0.00 0.00 -1.69 1.33 119.26 118.09 2nln h ALA 13 Ca -0.03 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.88 2nln h ALA 13 Cb 0.21 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 2nln h ALA 13 CO 0.04 -0.69 0.24 0.00 0.00 0.00 0.00 179.25 178.84 2nln h ALA 14 N -0.32 1.09 0.16 0.00 0.00 0.51 0.73 119.26 121.43 2nln h ALA 14 Ca -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2nln h ALA 14 Cb 0.54 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2nln h ALA 14 CO 0.09 -0.33 -0.08 1.25 0.00 0.00 0.00 179.25 180.19 2nln h LEU 15 N 0.32 -0.18 0.00 0.00 6.46 0.24 -3.34 115.31 118.80 2nln h LEU 15 Ca 0.46 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 2nln h LEU 15 Cb 0.80 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2nln h LEU 15 CO -0.51 0.30 0.00 0.00 -0.62 0.00 0.00 178.44 177.61 2nln n GLN 16 N -4.92 0.20 0.00 1.25 1.13 0.45 -2.99 117.38 112.50 2nln n GLN 16 Ca -0.03 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2nln n GLN 16 Cb 0.10 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 -0.08 -1.09 4.07 0.25 -4.36 120.64 118.25 2nln n GLU 17 Ca 0.06 0.31 0.07 0.00 -0.06 0.00 0.00 57.16 57.54 2nln n GLU 17 Cb 0.06 -1.19 0.11 0.00 -0.06 0.00 0.00 31.44 30.36 2nln n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nln n GLN 19 N 0.82 0.37 0.00 0.00 7.27 -1.16 -4.74 117.38 119.95 2nln n GLN 19 Ca 0.11 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2nln n GLN 19 Cb 0.41 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.80 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 1.76 0.00 -2.53 1.69 8.00 -1.26 -5.00 116.55 119.22 2nln n ASP 20 Ca 0.14 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.39 2nln n ASP 20 Cb 0.31 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.51 2.64 0.00 -0.24 -0.04 -1.26 -3.99 135.00 131.61 2nln n PRO 21 Ca 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2nln n PRO 21 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 1.58 0.00 -0.03 3.54 -0.08 -1.26 -3.37 116.55 116.94 2nln n ASP 22 Ca 0.51 -0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.76 2nln n ASP 22 Cb 0.60 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.01 2nln n ASP 22 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2nln n THR 23 N 0.00 0.36 0.00 5.18 5.66 -1.26 -4.84 114.28 119.39 2nln n THR 23 Ca 0.00 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 2nln n THR 23 Cb 0.00 -0.75 0.00 0.00 -1.55 0.00 0.00 70.33 68.03 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 -2.17 0.00 -0.01 1.09 3.72 -1.26 -4.96 117.46 113.87 2nln n PHE 24 Ca -0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 2nln n PHE 24 Cb 0.64 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.10 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 0.74 0.00 -1.08 4.81 -1.91 -3.34 114.58 113.81 2nln h GLU 25 Ca 0.00 -0.65 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 2nln h GLU 25 Cb 0.00 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2nln h GLU 25 CO 0.00 1.25 -0.79 -0.35 -0.73 0.00 0.00 179.01 178.39 2nln n PRO 26 N -3.96 0.49 -0.02 0.92 -0.04 -1.26 -4.37 135.00 126.77 2nln n PRO 26 Ca -0.08 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2nln n PRO 26 Cb 0.76 -1.56 0.55 0.00 -0.04 0.00 0.00 33.50 33.21 2nln n PRO 26 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2nln h GLN 27 N -1.00 0.29 -0.28 0.54 1.08 -1.89 -2.45 115.11 111.40 2nln h GLN 27 Ca -0.01 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 2nln h GLN 27 Cb 0.78 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2nln h GLN 27 CO -0.01 0.19 -0.15 0.87 -0.95 0.00 0.00 178.83 178.79 2nln h LYS 28 N 0.30 0.59 -0.15 1.46 1.79 -1.82 -0.57 116.57 118.17 2nln h LYS 28 Ca 0.23 -0.26 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2nln h LYS 28 Cb 0.51 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2nln h LYS 28 CO -0.05 0.84 0.06 0.35 -1.08 0.00 0.00 179.45 179.57 2nln h PHE 29 N 0.33 0.11 0.89 -1.35 3.57 -1.56 1.00 116.94 119.92 2nln h PHE 29 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2nln h PHE 29 Cb 0.67 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.39 2nln h PHE 29 CO 0.06 0.06 -0.43 0.74 -2.23 0.00 0.00 178.31 176.51 2nln h PHE 30 N 0.14 -1.11 0.38 0.41 0.04 -1.43 -2.24 116.94 113.12 2nln h PHE 30 Ca 0.06 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2nln h PHE 30 Cb 0.03 0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2nln h PHE 30 CO -0.10 -0.69 -0.24 0.37 -0.60 0.00 0.00 178.31 177.05 2nln h GLN 31 N -1.20 -0.56 -0.42 1.51 5.75 -1.01 2.11 115.11 121.30 2nln h GLN 31 Ca -0.12 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.50 2nln h GLN 31 Cb 0.92 0.13 -0.09 0.00 1.07 0.00 0.00 27.48 29.51 2nln h GLN 31 CO 0.20 -0.37 -0.20 1.15 -2.65 0.00 0.00 178.83 176.96 2nln h THR 32 N -0.58 0.40 0.01 2.39 2.02 -0.92 -2.29 112.91 113.96 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 0.46 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2nln h THR 32 CO 0.05 0.00 -0.01 -1.28 0.37 0.00 0.00 175.52 174.65 2nln h SER 33 N -0.12 -0.01 0.00 4.18 0.87 -1.36 -3.45 113.55 113.66 2nln h SER 33 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2nln h SER 33 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2nln h SER 33 CO -0.49 0.08 -0.44 0.61 -0.53 0.00 0.00 176.83 176.05 2nln n GLY 34 N 1.77 -0.51 0.40 5.77 0.00 0.44 -4.65 105.19 108.40 2nln n GLY 34 Ca -0.00 -0.15 0.36 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.38 0.28 -0.39 0.99 4.32 0.61 -1.42 117.00 118.00 2nln n LEU 35 Ca -0.06 1.52 0.32 0.00 -0.02 0.00 0.00 56.01 57.76 2nln n LEU 35 Cb 0.23 -0.74 0.49 0.00 -1.62 0.00 0.00 43.42 41.78 2nln n LEU 35 CO 0.09 -1.67 0.98 -0.24 -1.22 0.00 0.00 177.39 175.33 2nln n SER 36 N -4.98 0.00 0.00 -1.43 2.88 -0.86 -2.62 113.62 106.62 2nln n SER 36 Ca 0.39 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2nln n SER 36 Cb 1.43 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 2nln n SER 36 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2nln n LYS 37 N -3.12 4.25 -1.28 -1.46 2.85 -0.51 -5.12 118.16 113.77 2nln n LYS 37 Ca 0.27 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.16 2nln n LYS 37 Cb 1.30 -0.35 0.05 0.00 -0.65 0.00 0.00 35.03 35.38 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 0.00 0.29 -1.45 -1.58 0.00 -1.08 -4.96 117.12 108.35 2nln n MET 38 Ca 0.00 0.13 -0.31 0.00 0.00 0.00 0.00 57.70 57.52 2nln n MET 38 Cb 0.00 -1.66 0.08 0.00 0.00 0.00 0.00 33.22 31.64 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 -1.33 4.75 0.23 7.83 0.01 -1.26 -4.96 113.70 118.97 2nln s SER 39 Ca 0.64 1.58 -0.08 0.00 1.31 0.00 0.00 55.95 59.40 2nln s SER 39 Cb -0.38 -2.36 0.21 0.00 0.21 0.00 0.00 66.02 63.70 2nln s SER 39 CO 0.60 -1.84 1.89 0.00 0.41 0.00 0.00 173.24 174.30 2nln h ALA 40 N -1.00 1.13 0.30 1.44 0.00 -1.94 -3.14 119.26 116.04 2nln h ALA 40 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2nln h ALA 40 Cb 1.24 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2nln h ALA 40 CO 0.56 0.56 -0.50 1.03 0.00 0.00 0.00 179.25 180.90 2nln h SER 41 N 1.21 -1.43 -0.55 0.00 0.87 -2.00 -0.70 113.55 110.95 2nln h SER 41 Ca 0.32 0.14 0.16 0.00 -1.23 0.00 0.00 61.79 61.18 2nln h SER 41 Cb -0.10 0.50 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2nln h SER 41 CO -0.07 -0.60 0.52 0.06 -0.53 0.00 0.00 176.83 176.22 2nln h GLN 42 N -0.85 0.00 -0.92 2.24 -0.00 -1.94 0.33 115.11 113.97 2nln h GLN 42 Ca -0.03 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.69 2nln h GLN 42 Cb 0.80 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.22 2nln h GLN 42 CO -0.18 0.00 0.60 0.28 -0.00 0.00 0.00 178.83 179.53 2nln h VAL 43 N 0.00 1.06 -0.76 1.86 2.07 -1.08 0.46 116.25 119.87 2nln h VAL 43 Ca 0.26 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2nln h VAL 43 Cb 1.31 -0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2nln h VAL 43 CO -0.00 0.19 0.39 0.11 0.02 0.00 0.00 177.57 178.28 2nln h LYS 44 N 1.04 0.63 -0.10 1.57 1.57 -0.32 1.08 116.57 122.04 2nln h LYS 44 Ca 0.40 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.06 2nln h LYS 44 Cb 0.21 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2nln h LYS 44 CO -0.15 0.42 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.47 2nln h ASP 45 N 0.65 0.38 0.08 0.86 3.32 -0.95 -3.24 116.42 117.53 2nln h ASP 45 Ca 0.38 -0.57 0.02 0.00 0.02 0.00 0.00 57.03 56.87 2nln h ASP 45 Cb 0.40 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2nln h ASP 45 CO -0.28 0.89 -0.20 0.40 -1.72 0.00 0.00 179.24 178.33 2nln h ILE 46 N -0.10 0.54 -1.10 0.35 5.03 0.55 -1.44 117.51 121.34 2nln h ILE 46 Ca 0.00 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.06 2nln h ILE 46 Cb 0.83 0.54 -0.04 0.00 -3.03 0.00 0.00 36.82 35.11 2nln h ILE 46 CO 0.05 0.00 0.97 0.15 -0.68 0.00 0.00 178.15 178.64 2nln h PHE 47 N -0.36 0.00 -0.04 1.37 3.57 0.11 0.42 116.94 122.01 2nln h PHE 47 Ca 0.04 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2nln h PHE 47 Cb 0.40 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2nln h PHE 47 CO -0.21 0.00 0.18 0.00 -2.23 0.00 0.00 178.31 176.05 2nln h ARG 48 N 0.00 0.00 0.14 1.11 2.47 -1.28 -2.72 114.38 114.10 2nln h ARG 48 Ca 0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.25 2nln h ARG 48 Cb 2.46 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.75 2nln h ARG 48 CO -0.01 0.00 -0.36 0.35 0.56 0.00 0.00 179.97 180.52 2nln h PHE 49 N 0.00 -1.02 0.00 3.04 3.57 -0.31 -3.42 116.94 118.79 2nln h PHE 49 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2nln h PHE 49 Cb 0.39 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2nln h PHE 49 CO 0.00 -0.42 0.00 0.44 -2.23 0.00 0.00 178.31 176.10 2nln n ILE 50 N -4.49 0.00 -1.26 1.41 -5.35 -1.02 -4.89 119.36 103.76 2nln n ILE 50 Ca -0.06 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.12 2nln n ILE 50 Cb 0.29 0.00 0.24 0.00 -1.74 0.00 0.00 39.64 38.42 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 -1.83 1.16 -0.13 7.28 1.01 -1.26 -4.79 116.67 118.11 2nln s ASP 51 Ca 0.00 0.47 -0.17 0.00 0.71 0.00 0.00 52.55 53.56 2nln s ASP 51 Cb 0.00 -0.60 -0.25 0.00 1.01 0.00 0.00 42.92 43.07 2nln s ASP 51 CO 0.00 -3.96 0.48 -0.55 0.21 0.00 0.00 175.17 171.35 2nln h ASN 52 N -2.47 0.27 0.00 0.27 -1.07 -1.91 -3.43 115.58 107.24 2nln h ASN 52 Ca -0.43 -0.80 0.00 0.00 0.07 0.00 0.00 56.30 55.14 2nln h ASN 52 Cb 1.27 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 2nln h ASN 52 CO 0.31 1.57 0.00 0.47 0.07 0.00 0.00 177.43 179.85 2nln n ASP 53 N -4.04 0.00 -4.08 6.14 8.00 -1.26 -4.95 116.55 116.36 2nln n ASP 53 Ca -0.26 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 54.96 2nln n ASP 53 Cb 0.84 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.86 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 0.00 -0.90 -0.81 -1.24 0.00 -1.26 0.19 117.38 113.36 2nln n GLN 54 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2nln n GLN 54 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 30.24 27.21 2nln n GLN 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2nln n SER 55 N -2.42 -0.70 0.00 2.61 7.64 -1.26 -4.37 113.62 115.12 2nln n SER 55 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2nln n SER 55 Cb 0.60 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.25 1.62 3.51 0.23 0.00 -0.92 -5.01 105.19 104.38 2nln n GLY 56 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.33 -0.53 0.22 1.61 -0.85 0.51 -4.78 117.35 111.19 2nln s TYR 57 Ca 0.00 0.75 0.02 0.00 -0.52 0.00 0.00 57.07 57.32 2nln s TYR 57 Cb 0.00 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 2nln s TYR 57 CO 0.00 -0.58 0.37 -0.51 -1.52 0.00 0.00 175.55 173.32 2nln s LEU 58 N -1.60 4.25 0.09 -3.49 1.43 0.19 -3.98 118.68 115.57 2nln s LEU 58 Ca -0.05 0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 2nln s LEU 58 Cb -0.00 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.21 2nln s LEU 58 CO 0.02 -0.06 0.45 -0.62 0.23 0.00 0.00 176.35 176.36 2nln s ASP 59 N -3.49 -0.32 0.55 2.29 -1.08 -1.26 0.17 116.67 113.54 2nln s ASP 59 Ca 0.36 -0.10 0.48 0.00 -0.52 0.00 0.00 52.55 52.77 2nln s ASP 59 Cb -0.10 0.47 1.64 0.00 -1.46 0.00 0.00 42.92 43.47 2nln s ASP 59 CO 0.30 -0.78 1.51 0.61 0.52 0.00 0.00 175.17 177.33 2nln n GLY 60 N 0.10 -0.96 0.10 2.66 0.00 -1.22 0.87 105.19 106.75 2nln n GLY 60 Ca -0.17 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.10 1.02 1.61 5.19 -1.95 -3.33 116.42 118.86 2nln h ASP 61 Ca 0.89 -0.46 -0.17 0.00 -0.62 0.00 0.00 57.03 56.68 2nln h ASP 61 Cb 3.66 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 43.17 2nln h ASP 61 CO -0.01 0.45 -0.80 -0.33 -3.12 0.00 0.00 179.24 175.43 2nln h GLU 62 N -0.70 0.00 -0.97 3.56 4.39 0.08 -3.36 114.58 117.58 2nln h GLU 62 Ca -0.01 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.00 2nln h GLU 62 Cb 0.55 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.03 2nln h GLU 62 CO 0.02 0.80 0.28 -0.07 -1.16 0.00 0.00 179.01 178.88 2nln h LEU 63 N 0.00 -0.04 -2.57 1.33 3.38 -0.28 0.91 115.31 118.04 2nln h LEU 63 Ca -0.01 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2nln h LEU 63 Cb 1.53 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 2nln h LEU 63 CO 0.10 -0.31 -0.01 0.11 0.09 0.00 0.00 178.44 178.42 2nln h LYS 64 N 0.09 0.00 0.00 1.13 1.57 -1.76 -1.45 116.57 116.15 2nln h LYS 64 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 2nln h LYS 64 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 2nln h LYS 64 CO -0.78 0.01 0.00 1.88 -0.57 0.00 0.00 179.45 179.99 2nln h TYR 65 N 0.00 0.00 -0.64 -1.35 0.05 0.61 -3.29 116.97 112.34 2nln h TYR 65 Ca -0.00 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.91 2nln h TYR 65 Cb 0.12 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.74 2nln h TYR 65 CO 0.00 0.00 -0.17 0.35 -1.05 0.00 0.00 178.16 177.29 2nln h PHE 66 N 0.00 -0.38 -0.33 4.88 3.57 -1.33 1.47 116.94 124.82 2nln h PHE 66 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2nln h PHE 66 Cb 0.67 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2nln h PHE 66 CO 0.00 -0.29 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.69 2nln h LEU 67 N -0.01 0.49 -0.63 0.59 3.38 -1.78 -2.28 115.31 115.07 2nln h LEU 67 Ca 0.31 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 2nln h LEU 67 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2nln h LEU 67 CO -0.67 0.59 -0.17 1.56 0.09 0.00 0.00 178.44 179.85 2nln h GLN 68 N 0.50 0.90 0.02 1.13 4.20 0.12 1.33 115.11 123.31 2nln h GLN 68 Ca 0.10 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 2nln h GLN 68 Cb 0.38 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2nln h GLN 68 CO 0.02 1.00 -0.01 0.87 -0.67 0.00 0.00 178.83 180.04 2nln h LYS 69 N 0.79 -0.02 0.21 1.46 1.79 0.19 0.15 116.57 121.14 2nln h LYS 69 Ca 0.12 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2nln h LYS 69 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2nln h LYS 69 CO 0.05 0.16 -0.10 0.35 -1.08 0.00 0.00 179.45 178.84 2nln h PHE 70 N -0.20 -0.26 0.00 -1.35 3.57 -1.35 -3.41 116.94 113.94 2nln h PHE 70 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2nln h PHE 70 Cb 0.19 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2nln h PHE 70 CO -0.01 0.13 0.00 0.94 -2.23 0.00 0.00 178.31 177.14 2nln n GLN 71 N -5.00 0.00 0.00 1.11 7.27 0.46 -5.03 117.38 116.18 2nln n GLN 71 Ca -0.08 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.22 2nln n GLN 71 Cb 0.26 -0.69 0.00 0.00 2.41 0.00 0.00 30.24 32.22 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 -1.45 0.00 -1.13 1.69 7.64 0.51 -4.97 113.62 115.92 2nln n SER 72 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2nln n SER 72 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.03 -4.73 6.43 2.03 -1.26 -4.99 116.55 112.99 2nln n ASP 73 Ca 0.00 -2.01 -0.39 0.00 0.52 0.00 0.00 54.79 52.91 2nln n ASP 73 Cb 0.00 0.33 0.04 0.00 -0.72 0.00 0.00 41.12 40.77 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 1.48 0.65 -1.67 0.00 -1.26 -4.86 120.51 114.72 2nln n ALA 74 Ca -0.27 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.38 2nln n ALA 74 Cb 0.71 -2.33 0.37 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.87 0.11 -0.61 0.00 0.00 -1.26 -4.81 116.66 109.21 2nln n ARG 75 Ca 0.10 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 2nln n ARG 75 Cb 0.44 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.40 2nln n ARG 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2nln n GLU 76 N -1.40 0.00 -2.02 2.89 1.02 -1.26 -4.38 120.64 115.48 2nln n GLU 76 Ca 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2nln n GLU 76 Cb 0.16 -0.63 -0.01 0.00 -0.02 0.00 0.00 31.44 30.94 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 -0.15 -0.06 0.00 -4.62 4.77 -1.26 -4.53 117.00 111.15 2nln n LEU 77 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2nln n LEU 77 Cb 0.13 -0.71 -0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2nln n LEU 77 CO 0.00 0.01 -0.00 0.35 -1.33 0.00 0.00 177.39 176.41 2nln n THR 78 N -1.80 0.00 -0.06 -5.08 -2.24 -1.26 -1.63 114.28 102.20 2nln n THR 78 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2nln n THR 78 Cb 0.33 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.35 -0.02 -0.78 5.08 -1.91 -3.32 114.58 113.98 2nln h GLU 79 Ca 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2nln h GLU 79 Cb 0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2nln h GLU 79 CO 0.00 0.61 -0.01 1.03 -1.00 0.00 0.00 179.01 179.64 2nln h SER 80 N 0.06 0.05 -0.50 1.42 0.87 -1.80 -3.33 113.55 110.31 2nln h SER 80 Ca 0.05 -0.41 0.07 0.00 -1.23 0.00 0.00 61.79 60.26 2nln h SER 80 Cb 0.48 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 2nln h SER 80 CO 0.02 0.45 0.17 -0.08 -0.53 0.00 0.00 176.83 176.86 2nln h GLU 81 N -0.35 0.33 -0.25 2.24 4.22 -1.38 0.18 114.58 119.57 2nln h GLU 81 Ca 0.01 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.50 2nln h GLU 81 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2nln h GLU 81 CO 0.00 0.22 0.49 1.79 -2.18 0.00 0.00 179.01 179.33 2nln h THR 82 N 0.34 0.16 -0.84 0.32 1.35 -1.40 1.12 112.91 113.96 2nln h THR 82 Ca 0.24 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.17 2nln h THR 82 Cb 0.27 0.56 -0.05 0.00 -1.73 0.00 0.00 68.15 67.19 2nln h THR 82 CO -0.25 0.00 0.55 0.50 -0.25 0.00 0.00 175.52 176.06 2nln h LYS 83 N 0.00 0.88 0.39 4.72 3.64 -0.77 0.42 116.57 125.84 2nln h LYS 83 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2nln h LYS 83 Cb 1.10 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2nln h LYS 83 CO -0.00 0.58 -0.29 0.77 -2.27 0.00 0.00 179.45 178.24 2nln h SER 84 N 0.90 -0.76 -0.72 4.20 0.02 0.12 1.29 113.55 118.61 2nln h SER 84 Ca 0.37 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 2nln h SER 84 Cb 0.26 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 2nln h SER 84 CO -0.14 -0.44 0.48 -0.07 -1.14 0.00 0.00 176.83 175.52 2nln h LEU 85 N -0.68 0.83 -0.24 5.07 3.38 -1.38 -0.52 115.31 121.78 2nln h LEU 85 Ca -0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2nln h LEU 85 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2nln h LEU 85 CO 0.00 0.61 0.01 0.24 0.09 0.00 0.00 178.44 179.39 2nln h MET 86 N 0.98 0.41 0.00 1.13 2.86 0.33 -2.62 114.93 118.02 2nln h MET 86 Ca 0.26 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2nln h MET 86 Cb -0.11 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2nln h MET 86 CO -0.06 0.58 0.00 -0.25 1.06 0.00 0.00 176.91 178.24 2nln n ASP 87 N -4.66 0.00 0.11 1.22 9.92 0.44 -2.84 116.55 120.74 2nln n ASP 87 Ca -0.04 -0.09 -0.02 0.00 -0.53 0.00 0.00 54.79 54.11 2nln n ASP 87 Cb 0.23 -0.18 0.21 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 2.71 1.06 -3.00 2.24 0.00 -0.73 -3.46 119.26 118.07 2nln h ALA 88 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2nln h ALA 88 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2nln h ALA 88 CO 0.00 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2nln n ALA 89 N -2.46 0.36 -2.58 0.00 0.00 -1.21 -4.67 120.51 109.94 2nln n ALA 89 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2nln n ALA 89 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.75 5.22 -0.07 0.00 -0.08 -1.06 -4.69 116.55 115.13 2nln n ASP 90 Ca 0.00 -3.09 -0.05 0.00 -1.51 0.00 0.00 54.79 50.14 2nln n ASP 90 Cb 0.00 -1.49 -0.02 0.00 2.34 0.00 0.00 41.12 41.95 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 4.20 1.61 -0.25 1.67 0.23 -1.13 -0.35 115.26 121.23 2nln n ASN 91 Ca 0.38 0.49 0.00 0.00 -0.53 0.00 0.00 54.58 54.92 2nln n ASN 91 Cb 0.38 -0.79 0.01 0.00 -2.08 0.00 0.00 39.78 37.31 2nln n ASN 91 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2nln n ASP 92 N -4.27 0.54 0.00 0.53 2.03 -1.26 -4.47 116.55 109.65 2nln n ASP 92 Ca -0.08 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.22 2nln n ASP 92 Cb 0.30 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.32 0.82 0.08 0.27 0.00 -1.26 -5.03 105.19 100.39 2nln n GLY 93 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2nln n GLY 93 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2nln h ASP 94 N 0.00 -0.06 0.00 1.61 1.82 -1.82 -3.49 116.42 114.48 2nln h ASP 94 Ca 0.00 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2nln h ASP 94 Cb 0.00 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2nln h ASP 94 CO 0.00 0.65 0.00 0.61 -1.61 0.00 0.00 179.24 178.89 2nln n GLY 95 N 1.31 1.30 3.82 -0.78 0.00 0.52 -5.01 105.19 106.34 2nln n GLY 95 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.41 2.99 -0.21 1.61 2.36 -1.15 -3.38 119.74 121.55 2nln s LYS 96 Ca 0.00 -0.78 -0.03 0.00 -2.55 0.00 0.00 55.97 52.61 2nln s LYS 96 Cb 0.00 -2.72 0.07 0.00 -1.05 0.00 0.00 37.83 34.13 2nln s LYS 96 CO 0.00 0.51 0.05 0.42 1.55 0.00 0.00 175.35 177.88 2nln s ILE 97 N -1.67 0.52 0.40 5.43 -1.09 0.46 -2.55 121.20 122.69 2nln s ILE 97 Ca 0.31 -0.65 0.08 0.00 -2.23 0.00 0.00 60.65 58.16 2nln s ILE 97 Cb -0.11 -1.09 -0.07 0.00 -1.58 0.00 0.00 42.46 39.62 2nln s ILE 97 CO 0.24 -0.28 0.06 -0.83 -1.23 0.00 0.00 174.94 172.89 2nln s GLY 98 N 1.85 2.38 0.21 6.18 0.00 -1.26 0.53 107.32 117.21 2nln s GLY 98 Ca 0.01 -2.19 -0.10 0.00 0.00 0.00 0.00 44.72 42.44 2nln s GLY 98 CO -0.11 -2.01 1.71 0.00 0.00 0.00 0.00 173.10 172.69 2nln h ALA 99 N 1.68 0.72 0.17 3.20 0.00 -1.93 1.36 119.26 124.46 2nln h ALA 99 Ca -0.43 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2nln h ALA 99 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2nln h ALA 99 CO 0.75 -0.28 -0.08 -0.44 0.00 0.00 0.00 179.25 179.20 2nln h ASP 100 N 0.29 -0.19 0.01 0.00 3.32 -1.96 0.67 116.42 118.55 2nln h ASP 100 Ca 0.31 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2nln h ASP 100 Cb 0.44 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2nln h ASP 100 CO -0.37 -0.04 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.75 2nln h GLU 101 N -0.34 -0.06 -0.13 3.56 3.07 -1.74 0.66 114.58 119.60 2nln h GLU 101 Ca -0.02 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 2nln h GLU 101 Cb 0.27 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 2nln h GLU 101 CO 0.04 -0.04 -0.14 0.35 -1.40 0.00 0.00 179.01 177.82 2nln h PHE 102 N -0.07 -0.35 -0.09 4.33 3.04 0.19 -1.12 116.94 122.88 2nln h PHE 102 Ca 0.01 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2nln h PHE 102 Cb 0.08 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2nln h PHE 102 CO -0.10 -0.20 0.02 -0.56 -2.02 0.00 0.00 178.31 175.45 2nln h GLN 103 N -0.17 0.13 -0.96 1.11 3.07 0.68 -2.77 115.11 116.20 2nln h GLN 103 Ca 0.09 -0.03 0.12 0.00 0.09 0.00 0.00 58.65 58.92 2nln h GLN 103 Cb 0.30 -0.02 -0.08 0.00 0.08 0.00 0.00 27.48 27.77 2nln h GLN 103 CO -0.23 0.31 0.61 1.05 0.09 0.00 0.00 178.83 180.66 2nln h GLU 104 N -0.06 0.90 0.71 0.06 4.11 0.46 1.17 114.58 121.94 2nln h GLU 104 Ca 0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2nln h GLU 104 Cb 0.23 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2nln h GLU 104 CO -0.00 0.60 -0.41 1.98 0.07 0.00 0.00 179.01 181.25 2nln h MET 105 N 0.93 -1.00 -0.13 1.06 4.05 -1.02 1.27 114.93 120.09 2nln h MET 105 Ca 0.47 0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.89 2nln h MET 105 Cb 0.49 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 2nln h MET 105 CO -0.23 -0.67 -0.22 -0.24 0.23 0.00 0.00 176.91 175.79 2nln h VAL 106 N -1.04 1.22 0.00 -5.77 3.04 -1.17 -2.49 116.25 110.04 2nln h VAL 106 Ca -0.10 -1.00 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 2nln h VAL 106 Cb 0.82 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2nln h VAL 106 CO 0.12 0.31 -0.15 -0.74 -1.01 0.00 0.00 177.57 176.09 2nln h HIS 107 N 0.21 0.00 0.00 3.17 -0.00 0.15 -3.50 115.15 115.19 2nln h HIS 107 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2nln h HIS 107 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2nln h HIS 107 CO 0.01 0.15 0.00 0.45 -0.00 0.00 0.00 177.93 178.54