#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 -0.81 -1.33 -0.00 -1.26 -4.87 119.36 111.08 2nln n ILE 2 Ca 0.00 1.06 0.00 0.00 -0.00 0.00 0.00 62.75 63.81 2nln n ILE 2 Cb 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 39.64 37.89 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 -1.03 0.00 0.00 1.39 -2.24 -1.26 -4.97 114.28 106.17 2nln n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nln n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2nln n THR 3 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2nln n ASP 4 N 0.00 0.00 -3.53 3.42 2.03 -1.26 -4.26 116.55 112.94 2nln n ASP 4 Ca 0.00 0.97 -0.28 0.00 0.52 0.00 0.00 54.79 56.00 2nln n ASP 4 Cb 0.00 -0.47 -0.12 0.00 -0.72 0.00 0.00 41.12 39.81 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 -2.88 0.73 -0.04 5.18 1.01 -1.26 -5.09 121.20 118.85 2nln s ILE 5 Ca 0.00 -2.44 -0.31 0.00 0.00 0.00 0.00 60.65 57.90 2nln s ILE 5 Cb 0.00 -1.51 0.12 0.00 0.01 0.00 0.00 42.46 41.07 2nln s ILE 5 CO 0.00 -1.05 1.22 -1.48 0.00 0.00 0.00 174.94 173.63 2nln s LEU 6 N 0.35 -0.10 -0.29 2.97 -0.00 -1.26 -4.95 118.68 115.39 2nln s LEU 6 Ca 0.24 -0.13 -0.29 0.00 -0.00 0.00 0.00 54.13 53.95 2nln s LEU 6 Cb -0.13 1.49 -0.01 0.00 -0.00 0.00 0.00 46.19 47.54 2nln s LEU 6 CO -0.08 -0.36 1.45 -0.44 -0.00 0.00 0.00 176.35 176.92 2nln s SER 7 N -2.77 6.48 0.23 1.48 0.01 -1.26 -4.90 113.70 112.97 2nln s SER 7 Ca 0.12 1.29 -0.07 0.00 1.31 0.00 0.00 55.95 58.60 2nln s SER 7 Cb 0.03 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.99 2nln s SER 7 CO -0.04 -1.23 1.87 0.00 0.41 0.00 0.00 173.24 174.25 2nln h ALA 8 N 10.17 1.11 0.16 1.44 0.00 -1.94 -2.49 119.26 127.71 2nln h ALA 8 Ca -0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2nln h ALA 8 Cb 1.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2nln h ALA 8 CO 1.03 0.33 -0.08 0.93 0.00 0.00 0.00 179.25 181.47 2nln h GLU 9 N 1.01 -0.21 -0.69 0.00 4.39 -2.00 -2.39 114.58 114.69 2nln h GLU 9 Ca 0.34 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.25 2nln h GLU 9 Cb 0.05 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2nln h GLU 9 CO -0.13 0.01 0.54 -0.44 -1.16 0.00 0.00 179.01 177.83 2nln h ASP 10 N -0.40 0.00 -0.14 1.42 5.19 -1.89 0.10 116.42 120.71 2nln h ASP 10 Ca -0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 2nln h ASP 10 Cb 0.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2nln h ASP 10 CO 0.04 0.00 0.02 0.40 -3.12 0.00 0.00 179.24 176.58 2nln h ILE 11 N 0.00 1.22 0.05 0.35 2.04 -0.98 1.02 117.51 121.22 2nln h ILE 11 Ca 0.33 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2nln h ILE 11 Cb 1.41 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 2nln h ILE 11 CO -0.00 0.21 -0.16 0.00 0.00 0.00 0.00 178.15 178.19 2nln h ALA 12 N 0.80 -0.24 0.21 1.87 0.00 -0.67 1.07 119.26 122.30 2nln h ALA 12 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2nln h ALA 12 Cb 0.31 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2nln h ALA 12 CO 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 179.25 178.48 2nln h ALA 13 N 0.58 -0.28 -0.69 0.00 0.00 -1.34 1.32 119.26 118.86 2nln h ALA 13 Ca 0.04 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2nln h ALA 13 Cb 0.34 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2nln h ALA 13 CO -0.12 -0.59 0.09 0.00 0.00 0.00 0.00 179.25 178.63 2nln h ALA 14 N 0.35 0.80 0.22 0.00 0.00 0.14 -0.10 119.26 120.67 2nln h ALA 14 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2nln h ALA 14 Cb 0.32 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2nln h ALA 14 CO 0.05 -0.37 -0.11 1.25 0.00 0.00 0.00 179.25 180.07 2nln h LEU 15 N 0.19 -0.25 0.00 0.00 5.85 0.15 -3.32 115.31 117.93 2nln h LEU 15 Ca 0.38 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2nln h LEU 15 Cb 0.63 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2nln h LEU 15 CO -0.53 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 177.84 2nln n GLN 16 N -4.97 0.08 0.00 1.25 3.00 0.45 -2.51 117.38 114.69 2nln n GLN 16 Ca -0.06 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2nln n GLN 16 Cb 0.21 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.95 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 -1.11 0.00 -0.03 -1.09 0.00 -0.07 -4.51 120.64 113.84 2nln n GLU 17 Ca 0.02 0.20 0.06 0.00 0.00 0.00 0.00 57.16 57.44 2nln n GLU 17 Cb 0.02 -1.00 0.07 0.00 0.00 0.00 0.00 31.44 30.52 2nln n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nln n GLN 19 N 0.67 0.44 0.00 0.00 7.27 -1.05 -4.78 117.38 119.94 2nln n GLN 19 Ca 0.08 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.30 2nln n GLN 19 Cb 0.32 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 31.66 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 1.69 0.00 -2.88 1.69 8.00 -1.21 -4.99 116.55 118.86 2nln n ASP 20 Ca 0.14 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 2nln n ASP 20 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.29 2.02 0.00 -0.24 -0.04 -1.26 -2.84 135.00 132.35 2nln n PRO 21 Ca 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 2nln n PRO 21 Cb 0.00 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 3.66 0.00 0.00 3.54 2.03 -1.26 -4.52 116.55 120.00 2nln n ASP 22 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2nln n ASP 22 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2nln n ASP 22 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2nln n THR 23 N 0.00 0.00 0.00 5.18 5.66 -1.13 -4.49 114.28 119.50 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 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 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 -1.55 0.00 -0.13 1.09 1.16 -1.23 -4.60 117.46 112.19 2nln n PHE 24 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.33 2nln n PHE 24 Cb 0.30 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 2nln n PHE 24 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2nln n GLU 25 N 0.00 0.57 -0.05 3.97 -0.58 -1.26 -3.35 120.64 119.94 2nln n GLU 25 Ca 0.00 0.27 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 2nln n GLU 25 Cb 0.00 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.28 2nln n GLU 25 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2nln n PRO 26 N -4.31 1.91 -0.03 3.49 -0.04 -1.26 -4.63 135.00 130.14 2nln n PRO 26 Ca -0.45 -0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 62.89 2nln n PRO 26 Cb 0.80 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.91 2nln n PRO 26 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2nln h GLN 27 N 0.00 -0.39 -0.14 0.54 4.15 -1.89 0.53 115.11 117.90 2nln h GLN 27 Ca -0.28 0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.01 2nln h GLN 27 Cb 1.60 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.37 2nln h GLN 27 CO 0.02 -0.26 -0.55 0.87 -1.93 0.00 0.00 178.83 176.97 2nln h LYS 28 N -0.41 0.43 -0.69 1.69 1.57 -1.88 -1.15 116.57 116.13 2nln h LYS 28 Ca 0.10 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2nln h LYS 28 Cb 0.58 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 2nln h LYS 28 CO -0.42 0.87 0.34 0.35 -0.57 0.00 0.00 179.45 180.02 2nln h PHE 29 N 0.33 0.62 0.53 -1.35 3.04 -1.39 -1.56 116.94 117.16 2nln h PHE 29 Ca 0.01 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 2nln h PHE 29 Cb 1.07 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 39.41 2nln h PHE 29 CO 0.04 0.23 -0.25 0.74 -2.02 0.00 0.00 178.31 177.04 2nln h PHE 30 N 0.60 -0.66 0.23 0.41 0.04 0.43 -3.20 116.94 114.78 2nln h PHE 30 Ca 0.34 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 2nln h PHE 30 Cb 0.33 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 2nln h PHE 30 CO -0.11 -0.38 -0.16 0.37 -0.60 0.00 0.00 178.31 177.43 2nln h GLN 31 N -1.16 -0.36 -0.09 1.51 5.75 -1.14 2.21 115.11 121.83 2nln h GLN 31 Ca -0.07 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2nln h GLN 31 Cb 0.57 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.14 2nln h GLN 31 CO 0.12 -0.24 -0.46 1.15 -2.65 0.00 0.00 178.83 176.75 2nln h THR 32 N -0.37 0.10 0.04 2.39 2.02 -1.48 0.64 112.91 116.24 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 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2nln h THR 32 CO 0.02 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.61 2nln h SER 33 N -0.55 -0.04 0.00 4.18 0.87 -1.58 -3.41 113.55 113.02 2nln h SER 33 Ca 0.06 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2nln h SER 33 Cb 0.66 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2nln h SER 33 CO -0.39 0.53 -0.17 0.61 -0.53 0.00 0.00 176.83 176.87 2nln n GLY 34 N 1.61 -0.53 0.36 5.77 0.00 0.30 -4.20 105.19 108.50 2nln n GLY 34 Ca -0.02 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.20 0.00 -0.57 0.99 4.07 0.31 -3.17 115.31 116.73 2nln h LEU 35 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.06 2nln h LEU 35 Cb 0.17 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.82 2nln h LEU 35 CO 0.00 0.00 -0.19 -1.54 -1.08 0.00 0.00 178.44 175.63 2nln n SER 36 N -3.20 -0.30 -2.70 -0.43 3.41 0.22 -3.44 113.62 107.19 2nln n SER 36 Ca 0.02 0.99 -0.05 0.00 -0.26 0.00 0.00 58.87 59.57 2nln n SER 36 Cb 0.51 -0.26 0.11 0.00 -0.26 0.00 0.00 64.21 64.30 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 -4.88 1.30 -3.71 4.33 4.76 -1.20 -5.07 118.16 113.69 2nln n LYS 37 Ca 0.07 -1.95 -0.21 0.00 -2.87 0.00 0.00 58.31 53.35 2nln n LYS 37 Cb 0.25 -0.18 -0.03 0.00 -1.84 0.00 0.00 35.03 33.23 2nln n LYS 37 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2nln s MET 38 N -0.60 2.65 0.77 1.97 -1.94 -1.22 -5.12 119.30 115.80 2nln s MET 38 Ca 0.19 -1.38 -0.12 0.00 -1.71 0.00 0.00 55.69 52.67 2nln s MET 38 Cb 0.42 -2.44 0.05 0.00 2.01 0.00 0.00 34.83 34.86 2nln s MET 38 CO -0.08 -0.02 1.11 -1.12 -0.01 0.00 0.00 175.02 174.90 2nln s SER 39 N -4.05 4.86 0.20 3.03 0.01 -1.26 -4.98 113.70 111.51 2nln s SER 39 Ca 0.44 1.13 -0.10 0.00 1.31 0.00 0.00 55.95 58.73 2nln s SER 39 Cb -0.05 -1.85 0.13 0.00 0.21 0.00 0.00 66.02 64.46 2nln s SER 39 CO 0.27 -1.72 1.81 0.00 0.41 0.00 0.00 173.24 174.01 2nln h ALA 40 N -0.92 0.93 -0.32 1.44 0.00 -1.98 -3.19 119.26 115.22 2nln h ALA 40 Ca -0.46 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.39 2nln h ALA 40 Cb 1.27 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2nln h ALA 40 CO 0.62 0.46 -0.38 0.66 0.00 0.00 0.00 179.25 180.62 2nln h SER 41 N 1.00 -1.22 -0.19 0.00 4.64 -2.02 0.25 113.55 116.00 2nln h SER 41 Ca 0.25 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.82 2nln h SER 41 Cb 0.06 0.54 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2nln h SER 41 CO -0.04 -0.36 0.17 0.06 -0.87 0.00 0.00 176.83 175.79 2nln h GLN 42 N -0.34 0.00 -0.75 4.77 3.07 -1.95 -0.07 115.11 119.84 2nln h GLN 42 Ca 0.13 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.90 2nln h GLN 42 Cb 0.57 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.09 2nln h GLN 42 CO -0.50 0.00 0.50 0.28 0.09 0.00 0.00 178.83 179.20 2nln h VAL 43 N 0.00 1.15 -0.58 1.86 2.07 -0.53 0.77 116.25 120.99 2nln h VAL 43 Ca 0.09 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2nln h VAL 43 Cb 0.43 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2nln h VAL 43 CO -0.00 0.17 0.31 0.11 0.02 0.00 0.00 177.57 178.18 2nln h LYS 44 N 0.96 0.57 -0.13 1.57 1.57 -0.83 1.25 116.57 121.52 2nln h LYS 44 Ca 0.29 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 2nln h LYS 44 Cb -0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2nln h LYS 44 CO -0.08 0.37 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.52 2nln h ASP 45 N 0.58 0.42 0.58 0.86 3.32 -1.10 -3.20 116.42 117.89 2nln h ASP 45 Ca 0.26 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2nln h ASP 45 Cb 0.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2nln h ASP 45 CO -0.17 0.88 -0.43 0.40 -1.72 0.00 0.00 179.24 178.20 2nln h ILE 46 N -0.02 0.15 -1.71 0.35 5.03 0.98 -2.13 117.51 120.16 2nln h ILE 46 Ca 0.01 0.00 0.53 0.00 -0.12 0.00 0.00 64.86 65.28 2nln h ILE 46 Cb 0.79 0.15 -0.10 0.00 -3.03 0.00 0.00 36.82 34.63 2nln h ILE 46 CO 0.05 0.00 1.19 0.15 -0.68 0.00 0.00 178.15 178.86 2nln h PHE 47 N -0.97 0.21 -0.09 1.37 3.57 0.15 0.79 116.94 121.96 2nln h PHE 47 Ca -0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.47 2nln h PHE 47 Cb 0.81 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 2nln h PHE 47 CO -0.15 -0.11 0.35 0.00 -2.23 0.00 0.00 178.31 176.17 2nln h ARG 48 N 0.01 0.00 0.07 1.11 2.47 -1.37 -1.96 114.38 114.71 2nln h ARG 48 Ca 0.90 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.63 2nln h ARG 48 Cb 3.33 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 31.61 2nln h ARG 48 CO -0.19 0.00 -0.46 0.35 0.56 0.00 0.00 179.97 180.23 2nln h PHE 49 N 0.00 -1.34 0.00 3.04 3.57 0.45 -3.41 116.94 119.26 2nln h PHE 49 Ca 0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2nln h PHE 49 Cb 0.75 0.57 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2nln h PHE 49 CO 0.00 -0.51 0.00 0.44 -2.23 0.00 0.00 178.31 176.01 2nln n ILE 50 N -5.05 0.00 -4.34 1.41 -5.35 -0.73 -4.79 119.36 100.51 2nln n ILE 50 Ca -0.07 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.13 2nln n ILE 50 Cb 0.35 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.14 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 -1.27 3.78 0.00 7.28 1.01 -1.25 -4.70 116.67 121.52 2nln s ASP 51 Ca 0.00 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.61 2nln s ASP 51 Cb 0.00 -0.47 0.00 0.00 1.01 0.00 0.00 42.92 43.46 2nln s ASP 51 CO 0.00 0.15 0.00 -3.20 0.21 0.00 0.00 175.17 172.33 2nln n ASN 52 N 0.56 3.72 -3.89 0.27 5.15 -1.26 -4.77 115.26 115.04 2nln n ASN 52 Ca -0.14 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.66 2nln n ASN 52 Cb 0.54 0.11 -0.16 0.00 -0.53 0.00 0.00 39.78 39.74 2nln n ASN 52 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2nln s ASP 53 N -3.61 0.60 0.16 1.20 -4.77 -1.26 -4.74 116.67 104.25 2nln s ASP 53 Ca 0.00 -0.08 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 2nln s ASP 53 Cb 0.00 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.60 2nln s ASP 53 CO 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 175.17 175.84 2nln n GLN 54 N 3.70 0.00 -2.73 2.11 6.02 -1.26 -4.99 117.38 120.23 2nln n GLN 54 Ca -0.22 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.75 2nln n GLN 54 Cb 0.53 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.89 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 -2.88 -0.30 0.00 1.08 7.64 -1.26 -4.95 113.62 112.95 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 3.14 3.76 0.23 0.00 -1.26 -4.95 105.19 105.08 2nln n GLY 56 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.57 -0.15 0.23 1.61 -0.85 -1.26 -5.02 117.35 109.34 2nln s TYR 57 Ca 0.00 -0.17 0.05 0.00 -0.52 0.00 0.00 57.07 56.43 2nln s TYR 57 Cb 0.00 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 2nln s TYR 57 CO 0.00 -0.89 0.30 -0.51 -1.52 0.00 0.00 175.55 172.92 2nln s LEU 58 N -2.92 4.16 0.12 -3.49 1.43 -1.19 -4.46 118.68 112.33 2nln s LEU 58 Ca 0.12 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 2nln s LEU 58 Cb -0.02 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.52 2nln s LEU 58 CO 0.03 -0.05 0.34 -0.62 0.23 0.00 0.00 176.35 176.28 2nln s ASP 59 N -3.84 -0.12 0.47 2.29 -1.08 -1.26 -1.00 116.67 112.13 2nln s ASP 59 Ca 0.34 -0.45 0.37 0.00 -0.52 0.00 0.00 52.55 52.28 2nln s ASP 59 Cb -0.09 0.44 1.56 0.00 -1.46 0.00 0.00 42.92 43.37 2nln s ASP 59 CO 0.28 -0.83 1.58 1.23 0.52 0.00 0.00 175.17 177.94 2nln h GLY 60 N 2.47 1.05 0.63 2.66 0.00 -1.93 0.97 103.07 108.91 2nln h GLY 60 Ca -0.34 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 2nln h GLY 60 CO 0.49 -0.37 -0.44 -0.55 0.00 0.00 0.00 176.54 175.67 2nln h ASP 61 N 0.00 0.39 0.84 0.19 3.32 -1.96 -3.31 116.42 115.90 2nln h ASP 61 Ca 0.90 -0.76 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 2nln h ASP 61 Cb 3.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 42.48 2nln h ASP 61 CO -0.36 1.10 -0.77 -0.33 -1.72 0.00 0.00 179.24 177.17 2nln h GLU 62 N -0.28 0.00 -1.09 3.56 4.39 -0.24 -3.26 114.58 117.66 2nln h GLU 62 Ca -0.05 0.00 0.33 0.00 0.34 0.00 0.00 59.36 59.98 2nln h GLU 62 Cb 1.17 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.68 2nln h GLU 62 CO 0.09 0.77 0.66 -0.07 -1.16 0.00 0.00 179.01 179.29 2nln h LEU 63 N 0.00 0.44 -2.60 1.33 3.38 0.54 1.15 115.31 119.55 2nln h LEU 63 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2nln h LEU 63 Cb 1.39 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2nln h LEU 63 CO 0.10 -0.09 0.06 0.11 0.09 0.00 0.00 178.44 178.71 2nln h LYS 64 N 0.29 0.00 0.00 1.13 1.57 -1.72 -0.36 116.57 117.48 2nln h LYS 64 Ca 0.72 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 2nln h LYS 64 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.14 2nln h LYS 64 CO -0.49 0.00 0.00 1.88 -0.57 0.00 0.00 179.45 180.27 2nln h TYR 65 N 0.00 0.00 -0.45 -1.35 0.05 0.11 -3.32 116.97 112.01 2nln h TYR 65 Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 2nln h TYR 65 Cb 0.12 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.76 2nln h TYR 65 CO 0.00 0.00 -0.35 0.35 -1.05 0.00 0.00 178.16 177.11 2nln h PHE 66 N 0.00 -0.99 -0.63 4.88 3.57 -1.17 0.83 116.94 123.43 2nln h PHE 66 Ca 0.00 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2nln h PHE 66 Cb 0.68 0.50 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 2nln h PHE 66 CO 0.00 -0.40 0.28 -0.07 -2.23 0.00 0.00 178.31 175.89 2nln h LEU 67 N -0.25 0.82 -1.23 0.59 3.38 -1.79 -2.13 115.31 114.70 2nln h LEU 67 Ca 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2nln h LEU 67 Cb 0.55 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2nln h LEU 67 CO -0.58 0.72 0.32 1.56 0.09 0.00 0.00 178.44 180.54 2nln h GLN 68 N 0.90 0.85 -0.73 1.13 4.20 -0.22 1.05 115.11 122.28 2nln h GLN 68 Ca 0.22 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2nln h GLN 68 Cb 0.13 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2nln h GLN 68 CO -0.02 0.64 0.48 0.87 -0.67 0.00 0.00 178.83 180.12 2nln h LYS 69 N 0.85 0.97 -1.15 1.46 1.79 0.11 1.39 116.57 121.99 2nln h LYS 69 Ca 0.21 -0.06 -0.62 0.00 -2.18 0.00 0.00 60.65 58.00 2nln h LYS 69 Cb 0.05 -0.22 -0.37 0.00 -1.58 0.00 0.00 32.23 30.11 2nln h LYS 69 CO -0.03 0.65 -0.13 0.34 -1.08 0.00 0.00 179.45 179.20 2nln n PHE 70 N -4.56 3.05 0.00 -1.35 -0.00 -0.13 -4.59 117.46 109.88 2nln n PHE 70 Ca 0.07 -2.63 0.00 0.00 -0.00 0.00 0.00 57.45 54.89 2nln n PHE 70 Cb 0.02 -0.67 0.00 0.00 -0.00 0.00 0.00 39.48 38.83 2nln n PHE 70 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2nln n GLN 71 N -0.69 0.00 -3.02 -4.13 7.27 0.35 -4.93 117.38 112.23 2nln n GLN 71 Ca 0.49 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.49 2nln n GLN 71 Cb 0.73 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.36 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 0.00 0.05 0.00 1.69 7.64 0.48 -4.38 113.62 119.10 2nln n SER 72 Ca 0.00 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2nln n SER 72 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2nln n SER 72 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nln n ASP 73 N -0.27 0.00 0.00 6.43 8.00 -1.26 -5.02 116.55 124.42 2nln n ASP 73 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2nln n ASP 73 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nln n ALA 74 N -1.28 -0.12 0.49 2.24 0.00 -1.26 -4.71 120.51 115.87 2nln n ALA 74 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2nln n ALA 74 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 0.15 -1.01 0.00 0.00 -1.26 -4.76 116.66 109.78 2nln n ARG 75 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 2nln n ARG 75 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 30.96 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 -1.28 0.00 -2.33 2.89 1.02 -1.26 -4.35 120.64 115.33 2nln n GLU 76 Ca 0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 2nln n GLU 76 Cb 0.08 -1.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.23 -0.24 0.00 -4.62 4.77 -1.26 -4.62 117.00 110.81 2nln n LEU 77 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2nln n LEU 77 Cb 0.21 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2nln n LEU 77 CO 0.00 0.03 0.00 0.35 -1.33 0.00 0.00 177.39 176.44 2nln n THR 78 N -1.75 0.00 0.04 -5.08 -2.24 -1.26 -1.92 114.28 102.07 2nln n THR 78 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 2nln n THR 78 Cb 0.21 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.18 0.00 -0.78 4.22 -1.89 -3.38 114.58 112.57 2nln h GLU 79 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2nln h GLU 79 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2nln h GLU 79 CO 0.00 0.28 -0.63 1.03 -2.18 0.00 0.00 179.01 177.51 2nln h SER 80 N -0.81 0.00 -0.48 1.04 0.87 -1.85 -3.37 113.55 108.95 2nln h SER 80 Ca -0.02 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2nln h SER 80 Cb 0.54 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 2nln h SER 80 CO 0.03 0.01 0.26 -0.08 -0.53 0.00 0.00 176.83 176.52 2nln h GLU 81 N 0.00 0.72 0.00 2.24 4.81 -1.56 0.22 114.58 121.01 2nln h GLU 81 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2nln h GLU 81 Cb 0.97 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2nln h GLU 81 CO 0.00 0.55 0.00 0.25 -0.73 0.00 0.00 179.01 179.08 2nln n THR 82 N -4.39 0.46 -0.24 0.32 -2.24 -0.87 -3.23 114.28 104.09 2nln n THR 82 Ca 0.04 0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 2nln n THR 82 Cb 0.12 -0.86 0.10 0.00 -2.10 0.00 0.00 70.33 67.59 2nln n THR 82 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nln h LYS 83 N 0.00 0.71 0.19 -0.78 3.64 -0.79 1.08 116.57 120.63 2nln h LYS 83 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2nln h LYS 83 Cb 0.12 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2nln h LYS 83 CO 0.00 0.47 -0.35 0.77 -2.27 0.00 0.00 179.45 178.07 2nln h SER 84 N 0.73 -0.99 -0.34 4.20 0.02 -1.74 1.10 113.55 116.54 2nln h SER 84 Ca 0.31 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2nln h SER 84 Cb 0.18 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2nln h SER 84 CO -0.18 -0.45 0.14 -0.07 -1.14 0.00 0.00 176.83 175.13 2nln h LEU 85 N -0.62 0.46 0.10 5.07 3.38 -1.67 0.44 115.31 122.46 2nln h LEU 85 Ca 0.01 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2nln h LEU 85 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2nln h LEU 85 CO -0.16 0.49 -0.14 0.24 0.09 0.00 0.00 178.44 178.96 2nln h MET 86 N 0.40 -0.28 0.00 1.13 2.86 0.16 -0.39 114.93 118.81 2nln h MET 86 Ca 0.11 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2nln h MET 86 Cb 0.17 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2nln h MET 86 CO -0.01 -0.19 0.00 -0.25 1.06 0.00 0.00 176.91 177.52 2nln n ASP 87 N -5.27 0.00 0.22 1.22 9.92 0.38 -3.02 116.55 120.00 2nln n ASP 87 Ca -0.07 -0.20 0.08 0.00 -0.53 0.00 0.00 54.79 54.07 2nln n ASP 87 Cb 0.19 -0.20 0.48 0.00 -0.64 0.00 0.00 41.12 40.94 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 3.09 1.18 -3.00 2.24 0.00 0.17 -3.46 119.26 119.47 2nln h ALA 88 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2nln h ALA 88 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2nln h ALA 88 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2nln n ALA 89 N -2.32 0.02 -2.89 0.00 0.00 -1.24 -4.33 120.51 109.75 2nln n ALA 89 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 2nln n ALA 89 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.48 5.21 -0.13 0.00 -0.08 -1.06 -4.66 116.55 115.36 2nln n ASP 90 Ca 0.00 -2.99 -0.27 0.00 -1.51 0.00 0.00 54.79 50.03 2nln n ASP 90 Cb 0.00 -1.56 -0.11 0.00 2.34 0.00 0.00 41.12 41.79 2nln n ASP 90 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2nln n ASN 91 N 5.49 1.95 -1.01 1.67 0.23 -1.17 -0.72 115.26 121.71 2nln n ASN 91 Ca 0.37 0.27 0.01 0.00 -0.53 0.00 0.00 54.58 54.70 2nln n ASN 91 Cb 0.42 -0.78 0.22 0.00 -2.08 0.00 0.00 39.78 37.56 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 -4.09 2.95 0.00 0.53 2.03 -1.26 -4.53 116.55 112.18 2nln n ASP 92 Ca -0.49 -3.48 0.00 0.00 0.52 0.00 0.00 54.79 51.34 2nln n ASP 92 Cb 0.88 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.94 -0.25 0.00 0.27 0.00 -1.26 -5.04 105.19 97.97 2nln n GLY 93 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.26 -5.02 116.55 111.80 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 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 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 0.59 3.84 0.27 0.00 0.10 -4.98 105.19 105.01 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 0.00 3.06 -0.33 1.61 2.36 -1.14 -2.96 119.74 122.35 2nln s LYS 96 Ca 0.00 -0.73 0.01 0.00 -2.55 0.00 0.00 55.97 52.70 2nln s LYS 96 Cb 0.00 -2.77 0.10 0.00 -1.05 0.00 0.00 37.83 34.11 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 -1.65 1.40 0.38 5.43 -1.09 -0.17 -2.55 121.20 122.95 2nln s ILE 97 Ca 0.32 -1.82 0.07 0.00 -2.23 0.00 0.00 60.65 56.99 2nln s ILE 97 Cb -0.11 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.71 2nln s ILE 97 CO 0.25 -0.67 0.39 -0.83 -1.23 0.00 0.00 174.94 172.84 2nln s GLY 98 N 1.27 1.91 0.15 6.18 0.00 -1.26 -3.18 107.32 112.38 2nln s GLY 98 Ca 0.11 -1.72 -0.20 0.00 0.00 0.00 0.00 44.72 42.91 2nln s GLY 98 CO -0.18 -1.58 1.66 0.00 0.00 0.00 0.00 173.10 173.01 2nln h ALA 99 N 1.03 0.06 -0.64 3.20 0.00 -1.88 1.22 119.26 122.25 2nln h ALA 99 Ca -0.43 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2nln h ALA 99 Cb 1.26 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2nln h ALA 99 CO 0.55 -0.55 0.29 -0.44 0.00 0.00 0.00 179.25 179.10 2nln h ASP 100 N -0.11 0.85 0.11 0.00 5.19 -1.97 0.45 116.42 120.93 2nln h ASP 100 Ca 0.14 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2nln h ASP 100 Cb 0.33 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2nln h ASP 100 CO -0.33 0.75 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.13 2nln h GLU 101 N 0.88 -0.19 -0.90 3.56 3.07 -1.66 -0.32 114.58 119.02 2nln h GLU 101 Ca 0.22 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.22 2nln h GLU 101 Cb 0.15 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.01 2nln h GLU 101 CO -0.02 -0.13 0.52 0.35 -1.40 0.00 0.00 179.01 178.32 2nln h PHE 102 N -0.20 0.92 0.00 4.33 3.04 0.19 0.22 116.94 125.44 2nln h PHE 102 Ca -0.01 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2nln h PHE 102 Cb 0.18 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.41 2nln h PHE 102 CO -0.09 0.31 -0.02 1.96 -2.02 0.00 0.00 178.31 178.44 2nln h GLN 103 N 0.79 0.00 -0.67 1.11 4.20 0.10 -1.99 115.11 118.65 2nln h GLN 103 Ca 0.46 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.13 2nln h GLN 103 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2nln h GLN 103 CO -0.30 0.02 0.23 0.93 -0.67 0.00 0.00 178.83 179.04 2nln h GLU 104 N 0.00 1.01 0.78 1.46 4.39 0.11 0.18 114.58 122.50 2nln h GLU 104 Ca -0.00 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 2nln h GLU 104 Cb 0.04 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2nln h GLU 104 CO 0.00 0.85 -0.38 1.98 -1.16 0.00 0.00 179.01 180.30 2nln h MET 105 N 0.98 -1.01 -0.14 2.33 4.05 -1.30 0.88 114.93 120.72 2nln h MET 105 Ca 0.22 0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.65 2nln h MET 105 Cb 0.24 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2nln h MET 105 CO -0.01 -0.66 -0.19 -0.24 0.23 0.00 0.00 176.91 176.03 2nln h VAL 106 N -1.11 1.21 0.00 -5.77 3.04 -1.54 -2.62 116.25 109.46 2nln h VAL 106 Ca -0.11 -0.95 -0.11 0.00 -1.01 0.00 0.00 66.70 64.52 2nln h VAL 106 Cb 0.82 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 31.40 2nln h VAL 106 CO 0.18 0.29 -0.54 -0.74 -1.01 0.00 0.00 177.57 175.74 2nln h HIS 107 N 0.21 0.00 0.00 3.17 6.17 -0.49 -3.50 115.15 120.72 2nln h HIS 107 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2nln h HIS 107 Cb 0.47 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.40 2nln h HIS 107 CO 0.01 0.54 0.00 -1.13 0.71 0.00 0.00 177.93 178.06