#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 0.13 2.46 5.41 -1.26 -3.76 119.36 122.34 2nln n ILE 2 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2nln n ILE 2 Cb 0.00 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.07 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 -2.28 1.66 -0.09 1.39 -2.24 -1.26 -2.77 114.28 108.69 2nln n THR 3 Ca 0.00 0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 62.16 2nln n THR 3 Cb 0.00 -1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 2nln n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2nln h ASP 4 N 0.00 -1.12 -2.95 3.42 3.32 -1.98 -3.35 116.42 113.76 2nln h ASP 4 Ca 0.00 0.18 -0.56 0.00 0.02 0.00 0.00 57.03 56.67 2nln h ASP 4 Cb 0.06 0.51 -0.40 0.00 0.22 0.00 0.00 39.33 39.72 2nln h ASP 4 CO 0.00 -0.34 -0.78 -0.63 -1.72 0.00 0.00 179.24 175.77 2nln s ILE 5 N -5.97 0.43 0.00 0.35 1.01 -1.11 -5.11 121.20 110.79 2nln s ILE 5 Ca -0.15 -1.30 -0.30 0.00 0.00 0.00 0.00 60.65 58.90 2nln s ILE 5 Cb 0.12 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.36 2nln s ILE 5 CO 0.67 -0.77 1.16 -0.22 0.00 0.00 0.00 174.94 175.78 2nln s LEU 6 N 1.60 -0.13 -1.48 2.97 2.96 -1.26 -4.95 118.68 118.40 2nln s LEU 6 Ca 0.12 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2nln s LEU 6 Cb -0.18 1.64 0.02 0.00 0.50 0.00 0.00 46.19 48.17 2nln s LEU 6 CO -0.23 -0.47 2.47 -1.20 -1.32 0.00 0.00 176.35 175.59 2nln n SER 7 N -0.40 6.34 -0.21 3.68 7.64 -1.26 -4.76 113.62 124.65 2nln n SER 7 Ca -0.06 -2.82 0.28 0.00 1.01 0.00 0.00 58.87 57.28 2nln n SER 7 Cb 0.61 -1.56 0.43 0.00 -1.01 0.00 0.00 64.21 62.68 2nln n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nln h ALA 8 N 5.43 2.96 -0.05 -0.43 0.00 -1.93 1.29 119.26 126.53 2nln h ALA 8 Ca 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 2nln h ALA 8 Cb 0.47 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2nln h ALA 8 CO 1.77 -1.74 -0.02 0.93 0.00 0.00 0.00 179.25 180.19 2nln h GLU 9 N 0.00 0.10 0.00 0.00 4.39 -1.99 -2.98 114.58 114.10 2nln h GLU 9 Ca 0.48 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2nln h GLU 9 Cb 2.91 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.56 2nln h GLU 9 CO -0.01 0.47 0.00 -0.25 -1.16 0.00 0.00 179.01 178.07 2nln n ASP 10 N -4.82 0.00 -0.10 1.42 8.00 0.43 -3.75 116.55 117.73 2nln n ASP 10 Ca -0.07 -0.29 -0.12 0.00 0.71 0.00 0.00 54.79 55.02 2nln n ASP 10 Cb 0.24 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 2nln n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2nln h ILE 11 N 0.00 1.29 -0.05 0.53 2.04 -0.95 1.71 117.51 122.08 2nln h ILE 11 Ca 0.00 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.66 2nln h ILE 11 Cb 0.22 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2nln h ILE 11 CO 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 178.15 178.49 2nln h ALA 12 N 0.76 -0.00 0.27 1.87 0.00 -1.69 1.14 119.26 121.61 2nln h ALA 12 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nln h ALA 12 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2nln h ALA 12 CO 0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 179.25 178.63 2nln h ALA 13 N 0.98 -0.37 -0.72 0.00 0.00 -1.71 1.20 119.26 118.65 2nln h ALA 13 Ca 0.04 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2nln h ALA 13 Cb 0.12 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 2nln h ALA 13 CO -0.09 -0.62 0.04 0.00 0.00 0.00 0.00 179.25 178.58 2nln h ALA 14 N 0.12 0.77 0.20 0.00 0.00 0.28 1.53 119.26 122.18 2nln h ALA 14 Ca -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2nln h ALA 14 Cb 0.40 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2nln h ALA 14 CO 0.06 -0.40 -0.10 1.25 0.00 0.00 0.00 179.25 180.06 2nln h LEU 15 N 0.14 -0.23 0.00 0.00 6.46 0.15 -2.93 115.31 118.90 2nln h LEU 15 Ca 0.39 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 2nln h LEU 15 Cb 0.67 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2nln h LEU 15 CO -0.60 0.18 0.00 0.00 -0.62 0.00 0.00 178.44 177.40 2nln n GLN 16 N -4.62 0.23 0.00 1.25 1.13 0.41 -3.29 117.38 112.49 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 -1.17 0.00 -0.11 -1.09 2.13 0.52 -4.32 120.64 116.59 2nln n GLU 17 Ca 0.06 0.30 0.08 0.00 0.66 0.00 0.00 57.16 58.26 2nln n GLU 17 Cb 0.07 -1.18 0.13 0.00 0.27 0.00 0.00 31.44 30.73 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 0.89 0.46 0.00 0.00 7.27 -1.21 -4.60 117.38 120.19 2nln n GLN 19 Ca 0.12 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.36 2nln n GLN 19 Cb 0.44 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.71 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 1.56 0.00 -3.51 1.69 9.92 -1.26 -4.90 116.55 120.05 2nln n ASP 20 Ca 0.12 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.98 2nln n ASP 20 Cb 0.37 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.83 2nln n ASP 20 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2nln n PRO 21 N -0.66 3.20 0.00 -0.24 -0.04 -1.26 -2.83 135.00 133.16 2nln n PRO 21 Ca 0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 2nln n PRO 21 Cb 0.00 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 4.88 0.00 -0.04 3.54 5.68 -1.26 -4.26 116.55 125.08 2nln n ASP 22 Ca 0.65 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.82 2nln n ASP 22 Cb 0.31 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.14 2nln n ASP 22 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2nln n THR 23 N 0.00 1.58 0.00 2.12 -2.24 -1.13 -4.87 114.28 109.74 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 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.06 0.00 0.08 4.78 3.01 -1.25 -4.95 117.46 116.07 2nln n PHE 24 Ca -0.25 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.11 2nln n PHE 24 Cb 1.07 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.51 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 0.22 0.00 -1.08 5.08 -1.88 -3.31 114.58 113.61 2nln h GLU 25 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2nln h GLU 25 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2nln h GLU 25 CO 0.00 1.00 -0.18 -1.00 -1.00 0.00 0.00 179.01 177.84 2nln h PRO 26 N 0.11 0.00 -0.65 2.33 0.13 -1.96 -3.34 132.00 128.62 2nln h PRO 26 Ca -0.06 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.19 2nln h PRO 26 Cb 1.58 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.67 2nln h PRO 26 CO 0.14 0.00 0.43 1.96 -0.23 0.00 0.00 178.00 180.31 2nln h GLN 27 N -0.74 0.38 -0.43 0.86 1.08 -1.89 -1.37 115.11 112.99 2nln h GLN 27 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2nln h GLN 27 Cb 0.18 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2nln h GLN 27 CO 0.00 0.25 0.07 0.87 -0.95 0.00 0.00 178.83 179.07 2nln h LYS 28 N 0.39 0.71 -0.07 1.46 6.56 -1.77 0.40 116.57 124.25 2nln h LYS 28 Ca 0.31 -0.19 0.04 0.00 -1.06 0.00 0.00 60.65 59.75 2nln h LYS 28 Cb 0.67 -0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 32.19 2nln h LYS 28 CO -0.09 0.74 -0.32 0.35 -2.06 0.00 0.00 179.45 178.08 2nln h PHE 29 N 0.57 -0.88 0.44 -1.35 3.04 -1.06 -2.11 116.94 115.60 2nln h PHE 29 Ca 0.13 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 2nln h PHE 29 Cb 0.38 0.40 0.00 0.00 2.56 0.00 0.00 35.95 39.29 2nln h PHE 29 CO 0.03 -0.40 -0.21 0.74 -2.02 0.00 0.00 178.31 176.44 2nln h PHE 30 N -0.43 -0.55 0.20 0.41 0.04 -1.31 -3.20 116.94 112.10 2nln h PHE 30 Ca 0.08 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2nln h PHE 30 Cb 0.55 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2nln h PHE 30 CO -0.38 -0.23 -0.23 0.37 -0.60 0.00 0.00 178.31 177.25 2nln h GLN 31 N -0.97 -0.42 -0.34 1.51 5.75 -0.18 1.73 115.11 122.19 2nln h GLN 31 Ca -0.06 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 2nln h GLN 31 Cb 0.57 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 29.13 2nln h GLN 31 CO 0.10 -0.28 -0.37 1.15 -2.65 0.00 0.00 178.83 176.78 2nln h THR 32 N -0.44 0.18 0.00 2.39 2.02 -1.55 -2.42 112.91 113.10 2nln h THR 32 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2nln h THR 32 Cb 0.39 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2nln h THR 32 CO -0.04 0.00 -0.05 0.77 0.37 0.00 0.00 175.52 176.57 2nln h SER 33 N -0.32 0.00 0.00 4.18 4.64 -1.54 -3.45 113.55 117.06 2nln h SER 33 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2nln h SER 33 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2nln h SER 33 CO -0.51 0.47 -0.32 0.61 -0.87 0.00 0.00 176.83 176.20 2nln n GLY 34 N 1.79 -0.52 0.31 -0.77 0.00 0.46 -4.21 105.19 102.24 2nln n GLY 34 Ca -0.01 -0.11 0.21 0.00 0.00 0.00 0.00 46.02 46.12 2nln n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2nln n LEU 35 N -3.16 0.10 -0.43 0.99 7.94 0.48 -1.28 117.00 121.64 2nln n LEU 35 Ca -0.05 1.55 0.33 0.00 -1.11 0.00 0.00 56.01 56.74 2nln n LEU 35 Cb 0.17 -0.65 0.52 0.00 0.53 0.00 0.00 43.42 43.98 2nln n LEU 35 CO 0.07 -1.65 0.93 -1.54 -1.11 0.00 0.00 177.39 174.09 2nln n SER 36 N -5.23 0.03 0.00 1.96 3.41 -0.91 -3.18 113.62 109.70 2nln n SER 36 Ca 0.28 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2nln n SER 36 Cb 0.94 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2nln n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2nln n LYS 37 N -3.42 2.44 -1.48 4.33 2.85 -0.40 -5.13 118.16 117.34 2nln n LYS 37 Ca 0.29 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.16 2nln n LYS 37 Cb 1.25 -0.20 0.03 0.00 -0.65 0.00 0.00 35.03 35.46 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 0.58 -1.27 -1.58 2.81 -0.98 -4.96 117.12 111.71 2nln n MET 38 Ca 0.00 0.22 -0.29 0.00 -1.81 0.00 0.00 57.70 55.82 2nln n MET 38 Cb 0.00 -1.70 0.16 0.00 -0.71 0.00 0.00 33.22 30.97 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 -1.12 2.95 0.15 7.83 0.01 -1.26 -4.93 113.70 117.34 2nln s SER 39 Ca 0.68 1.16 -0.14 0.00 1.31 0.00 0.00 55.95 58.95 2nln s SER 39 Cb -0.47 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2nln s SER 39 CO 0.55 -2.92 1.70 0.00 0.41 0.00 0.00 173.24 172.98 2nln h ALA 40 N -1.75 0.64 -0.28 1.44 0.00 -1.96 -3.28 119.26 114.06 2nln h ALA 40 Ca -0.53 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.27 2nln h ALA 40 Cb 1.33 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2nln h ALA 40 CO 0.58 0.25 -0.53 0.77 0.00 0.00 0.00 179.25 180.33 2nln h SER 41 N 0.66 -1.72 -0.44 0.00 0.02 -2.02 0.17 113.55 110.21 2nln h SER 41 Ca 0.16 0.22 0.13 0.00 -0.84 0.00 0.00 61.79 61.46 2nln h SER 41 Cb 0.19 0.70 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2nln h SER 41 CO -0.01 -0.44 0.36 0.06 -1.14 0.00 0.00 176.83 175.66 2nln h GLN 42 N -0.47 0.00 -0.78 3.45 -0.00 -1.94 0.16 115.11 115.54 2nln h GLN 42 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.73 2nln h GLN 42 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.07 2nln h GLN 42 CO -0.52 0.00 0.51 0.28 -0.00 0.00 0.00 178.83 179.10 2nln h VAL 43 N 0.00 1.17 -0.90 1.86 2.07 -0.72 0.11 116.25 119.83 2nln h VAL 43 Ca 0.21 -0.35 0.18 0.00 0.82 0.00 0.00 66.70 67.56 2nln h VAL 43 Cb 0.93 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 2nln h VAL 43 CO -0.00 0.19 0.58 0.11 0.02 0.00 0.00 177.57 178.47 2nln h LYS 44 N 1.02 0.54 -0.02 1.57 1.57 -0.78 0.30 116.57 120.77 2nln h LYS 44 Ca 0.30 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2nln h LYS 44 Cb -0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2nln h LYS 44 CO -0.08 0.36 -0.07 0.22 -0.57 0.00 0.00 179.45 179.31 2nln h ASP 45 N 0.56 0.10 -0.35 0.86 1.82 -1.01 -3.29 116.42 115.11 2nln h ASP 45 Ca 0.47 -0.61 0.08 0.00 -0.39 0.00 0.00 57.03 56.57 2nln h ASP 45 Cb 0.95 -0.03 -0.08 0.00 0.68 0.00 0.00 39.33 40.85 2nln h ASP 45 CO -0.21 0.70 -0.28 0.40 -1.61 0.00 0.00 179.24 178.24 2nln h ILE 46 N -0.49 0.30 -0.98 2.25 2.04 0.11 -0.65 117.51 120.10 2nln h ILE 46 Ca -0.00 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.20 2nln h ILE 46 Cb 0.69 0.30 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 2nln h ILE 46 CO 0.01 0.00 0.62 0.33 0.00 0.00 0.00 178.15 179.11 2nln n PHE 47 N -5.40 0.56 0.03 1.37 7.35 0.85 0.12 117.46 122.34 2nln n PHE 47 Ca 0.01 0.57 0.18 0.00 -0.76 0.00 0.00 57.45 57.44 2nln n PHE 47 Cb 0.32 -0.97 0.67 0.00 0.35 0.00 0.00 39.48 39.85 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 0.03 0.34 -4.13 -0.00 -1.23 -2.26 114.38 107.12 2nln h ARG 48 Ca 0.64 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 60.12 2nln h ARG 48 Cb 2.03 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 31.96 2nln h ARG 48 CO -0.37 0.02 -0.51 0.35 0.00 0.00 0.00 179.97 179.45 2nln h PHE 49 N 0.03 -1.45 -3.08 3.04 3.57 0.76 -3.34 116.94 116.47 2nln h PHE 49 Ca 0.22 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 61.18 2nln h PHE 49 Cb 0.83 0.59 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 2nln h PHE 49 CO -0.00 -0.64 0.72 0.96 -2.23 0.00 0.00 178.31 177.12 2nln s ILE 50 N -5.77 4.32 0.00 1.41 -4.36 -0.85 -4.67 121.20 111.28 2nln s ILE 50 Ca -0.17 1.63 0.00 0.00 -0.26 0.00 0.00 60.65 61.85 2nln s ILE 50 Cb 0.05 -4.05 0.00 0.00 1.25 0.00 0.00 42.46 39.71 2nln s ILE 50 CO 0.59 -0.03 0.00 0.47 0.24 0.00 0.00 174.94 176.22 2nln n ASP 51 N 5.41 0.00 0.10 4.36 9.92 -1.26 -4.88 116.55 130.20 2nln n ASP 51 Ca 0.11 0.21 -0.15 0.00 -0.53 0.00 0.00 54.79 54.43 2nln n ASP 51 Cb 0.46 -0.32 -0.11 0.00 -0.64 0.00 0.00 41.12 40.51 2nln n ASP 51 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2nln h ASN 52 N 1.96 0.44 -0.24 -2.24 -1.07 -1.83 -3.42 115.58 109.18 2nln h ASN 52 Ca 0.00 -0.44 -0.26 0.00 0.07 0.00 0.00 56.30 55.68 2nln h ASN 52 Cb 0.00 -0.14 -0.17 0.00 -2.07 0.00 0.00 38.32 35.94 2nln h ASN 52 CO 0.00 1.31 -0.56 0.47 0.07 0.00 0.00 177.43 178.72 2nln n ASP 53 N -3.58 -2.56 0.00 6.14 9.92 -1.26 -4.99 116.55 120.22 2nln n ASP 53 Ca -0.08 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 2nln n ASP 53 Cb 0.97 1.56 0.00 0.00 -0.64 0.00 0.00 41.12 43.01 2nln n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nln n GLN 54 N 1.63 0.00 -2.64 -1.24 6.02 -1.26 -4.88 117.38 115.01 2nln n GLN 54 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 2nln n GLN 54 Cb 0.62 -0.70 0.13 0.00 1.02 0.00 0.00 30.24 31.31 2nln n GLN 54 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2nln n SER 55 N -0.36 -1.45 0.00 1.08 7.64 -1.26 -4.95 113.62 114.32 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 0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.53 2.89 3.67 0.23 0.00 -1.26 -5.01 105.19 104.17 2nln n GLY 56 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.63 -0.30 0.12 1.61 1.51 -1.26 -4.95 117.35 111.44 2nln s TYR 57 Ca 0.00 -0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2nln s TYR 57 Cb 0.00 0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 42.45 2nln s TYR 57 CO 0.00 -0.98 0.19 -0.51 -1.11 0.00 0.00 175.55 173.13 2nln s LEU 58 N -2.83 4.10 0.02 -1.29 1.43 -1.11 -4.58 118.68 114.42 2nln s LEU 58 Ca 0.08 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2nln s LEU 58 Cb -0.03 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 2nln s LEU 58 CO -0.02 0.11 0.12 -0.62 0.23 0.00 0.00 176.35 176.17 2nln s ASP 59 N -2.86 0.09 0.56 2.29 -1.08 -1.26 0.20 116.67 114.60 2nln s ASP 59 Ca 0.33 -0.35 0.47 0.00 -0.52 0.00 0.00 52.55 52.48 2nln s ASP 59 Cb -0.11 0.21 1.66 0.00 -1.46 0.00 0.00 42.92 43.22 2nln s ASP 59 CO 0.26 -0.43 1.59 1.23 0.52 0.00 0.00 175.17 178.33 2nln h GLY 60 N 4.02 0.00 0.30 2.66 0.00 -1.81 0.72 103.07 108.96 2nln h GLY 60 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2nln h GLY 60 CO 0.44 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 176.43 2nln h ASP 61 N 0.00 -0.01 1.02 0.19 5.19 -1.96 -3.34 116.42 117.51 2nln h ASP 61 Ca 0.86 -0.68 -0.17 0.00 -0.62 0.00 0.00 57.03 56.43 2nln h ASP 61 Cb 3.53 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 43.02 2nln h ASP 61 CO -0.01 0.68 -0.80 -0.33 -3.12 0.00 0.00 179.24 175.66 2nln h GLU 62 N -0.71 0.00 -1.25 3.56 5.08 -0.24 -3.34 114.58 117.67 2nln h GLU 62 Ca -0.00 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.80 2nln h GLU 62 Cb 0.69 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.81 2nln h GLU 62 CO 0.00 0.80 0.80 1.28 -1.00 0.00 0.00 179.01 180.89 2nln n LEU 63 N -3.42 0.21 0.27 1.33 4.77 0.16 0.14 117.00 120.46 2nln n LEU 63 Ca 0.00 1.31 0.11 0.00 -0.03 0.00 0.00 56.01 57.40 2nln n LEU 63 Cb 0.82 -0.64 0.75 0.00 -2.33 0.00 0.00 43.42 42.01 2nln n LEU 63 CO 0.44 -1.43 1.06 0.11 -1.33 0.00 0.00 177.39 176.24 2nln h LYS 64 N 0.00 0.00 0.00 3.23 1.57 -1.79 -2.06 116.57 117.52 2nln h LYS 64 Ca 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.60 2nln h LYS 64 Cb 2.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.91 2nln h LYS 64 CO -0.46 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.12 2nln n TYR 65 N -4.13 0.42 -0.34 -1.35 4.01 0.37 -3.64 117.16 112.50 2nln n TYR 65 Ca -0.03 0.17 0.22 0.00 -0.16 0.00 0.00 57.90 58.10 2nln n TYR 65 Cb 0.12 -0.77 0.45 0.00 -0.31 0.00 0.00 39.34 38.84 2nln n TYR 65 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2nln h PHE 66 N 0.00 0.92 0.00 -0.72 -0.00 -1.51 0.86 116.94 116.49 2nln h PHE 66 Ca 0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 57.97 57.80 2nln h PHE 66 Cb 0.29 -0.25 -0.03 0.00 -0.00 0.00 0.00 35.95 35.96 2nln h PHE 66 CO 0.00 -0.06 -1.23 -0.07 -0.00 0.00 0.00 178.31 176.94 2nln h LEU 67 N 0.42 0.00 -0.25 2.10 3.38 -1.83 -3.34 115.31 115.79 2nln h LEU 67 Ca 0.69 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.57 2nln h LEU 67 Cb 1.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2nln h LEU 67 CO -0.52 0.81 -0.20 1.56 0.09 0.00 0.00 178.44 180.18 2nln h GLN 68 N 0.00 0.59 0.02 1.13 4.20 0.21 0.48 115.11 121.73 2nln h GLN 68 Ca -0.13 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.30 2nln h GLN 68 Cb 1.73 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.48 2nln h GLN 68 CO 0.08 0.88 -0.36 0.87 -0.67 0.00 0.00 178.83 179.63 2nln h LYS 69 N 0.30 -0.44 -0.18 1.46 1.79 0.11 0.48 116.57 120.09 2nln h LYS 69 Ca 0.05 0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.40 2nln h LYS 69 Cb 0.74 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2nln h LYS 69 CO 0.05 -0.30 -0.46 0.35 -1.08 0.00 0.00 179.45 178.02 2nln h PHE 70 N -0.46 0.80 0.00 -1.35 3.04 -1.68 -3.40 116.94 113.89 2nln h PHE 70 Ca 0.00 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.64 2nln h PHE 70 Cb 0.49 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.86 2nln h PHE 70 CO -0.45 1.08 0.00 0.94 -2.02 0.00 0.00 178.31 177.86 2nln n GLN 71 N -4.21 0.00 0.00 1.11 7.27 0.17 -5.03 117.38 116.69 2nln n GLN 71 Ca -0.06 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2nln n GLN 71 Cb 0.57 -0.56 0.00 0.00 2.41 0.00 0.00 30.24 32.66 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 -1.16 0.00 -0.89 1.69 7.64 0.17 -4.97 113.62 116.10 2nln n SER 72 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2nln n SER 72 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2nln n SER 72 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nln n ASP 73 N 0.00 -0.49 -4.53 6.43 -0.08 -1.26 -4.99 116.55 111.62 2nln n ASP 73 Ca 0.00 -1.73 -0.33 0.00 -1.51 0.00 0.00 54.79 51.23 2nln n ASP 73 Cb 0.00 0.14 0.13 0.00 2.34 0.00 0.00 41.12 43.73 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2nln n ALA 74 N 0.05 -1.63 0.41 -1.67 0.00 -1.26 -4.89 120.51 111.52 2nln n ALA 74 Ca -0.16 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 52.88 2nln n ALA 74 Cb 0.69 -1.99 0.39 0.00 0.00 0.00 0.00 19.45 18.54 2nln n ALA 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2nln h ARG 75 N -1.50 0.00 -0.96 0.00 -0.00 -1.96 -3.47 114.38 106.49 2nln h ARG 75 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 2nln h ARG 75 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2nln h ARG 75 CO 0.38 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.74 2nln n GLU 76 N -2.63 0.00 -1.25 0.08 1.02 -1.26 -4.12 120.64 112.48 2nln n GLU 76 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2nln n GLU 76 Cb 0.41 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.48 0.00 0.00 -4.62 4.77 -1.26 -4.61 117.00 110.81 2nln n LEU 77 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2nln n LEU 77 Cb 0.31 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2nln n LEU 77 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.41 2nln n THR 78 N -1.22 0.00 -0.05 -5.08 -2.24 -1.26 -0.27 114.28 104.16 2nln n THR 78 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2nln n THR 78 Cb 0.13 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.29 -0.04 -0.78 4.81 -1.93 -3.36 114.58 113.58 2nln h GLU 79 Ca 0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2nln h GLU 79 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2nln h GLU 79 CO 0.00 0.53 -0.08 0.66 -0.73 0.00 0.00 179.01 179.39 2nln h SER 80 N 0.02 0.13 -0.83 1.04 4.64 -1.84 -3.36 113.55 113.35 2nln h SER 80 Ca 0.04 -0.58 0.10 0.00 -0.47 0.00 0.00 61.79 60.88 2nln h SER 80 Cb 0.41 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.39 2nln h SER 80 CO 0.01 0.69 0.47 -0.08 -0.87 0.00 0.00 176.83 177.05 2nln h GLU 81 N -0.41 0.77 0.00 4.77 4.22 -0.79 0.33 114.58 123.46 2nln h GLU 81 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2nln h GLU 81 Cb 0.67 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2nln h GLU 81 CO 0.02 0.51 0.20 1.79 -2.18 0.00 0.00 179.01 179.34 2nln h THR 82 N 0.79 0.00 -0.78 0.32 1.35 -1.34 0.21 112.91 113.45 2nln h THR 82 Ca 0.40 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.35 2nln h THR 82 Cb 0.37 0.79 -0.07 0.00 -1.73 0.00 0.00 68.15 67.51 2nln h THR 82 CO -0.25 0.00 0.43 0.50 -0.25 0.00 0.00 175.52 175.95 2nln h LYS 83 N 0.00 0.72 0.18 4.72 3.64 -0.52 0.82 116.57 126.13 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 0.40 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2nln h LYS 83 CO 0.00 0.47 -0.28 1.03 -2.27 0.00 0.00 179.45 178.40 2nln h SER 84 N 0.74 -0.79 -0.70 4.20 0.87 -1.08 0.86 113.55 117.65 2nln h SER 84 Ca 0.38 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2nln h SER 84 Cb 0.34 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2nln h SER 84 CO -0.24 -0.39 0.42 -0.07 -0.53 0.00 0.00 176.83 176.02 2nln h LEU 85 N -0.54 0.84 0.08 2.23 3.38 -1.44 0.32 115.31 120.19 2nln h LEU 85 Ca 0.01 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2nln h LEU 85 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2nln h LEU 85 CO -0.12 0.66 -0.12 0.24 0.09 0.00 0.00 178.44 179.19 2nln h MET 86 N 0.95 -0.23 0.00 1.13 2.86 0.12 -1.13 114.93 118.63 2nln h MET 86 Ca 0.25 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2nln h MET 86 Cb -0.03 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2nln h MET 86 CO -0.05 -0.15 0.00 -0.25 1.06 0.00 0.00 176.91 177.52 2nln n ASP 87 N -5.24 0.00 0.16 1.22 9.92 0.29 -3.23 116.55 119.68 2nln n ASP 87 Ca -0.07 -0.18 0.02 0.00 -0.53 0.00 0.00 54.79 54.03 2nln n ASP 87 Cb 0.16 -0.16 0.25 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 2.83 0.97 -3.00 2.24 0.00 0.40 -3.47 119.26 119.23 2nln h ALA 88 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2nln h ALA 88 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nln h ALA 88 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2nln n ALA 89 N -2.35 0.15 -2.58 0.00 0.00 -1.22 -4.38 120.51 110.12 2nln n ALA 89 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2nln n ALA 89 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.19 5.02 -0.12 0.00 -0.08 -0.87 -4.65 116.55 115.66 2nln n ASP 90 Ca 0.00 -3.00 -0.26 0.00 -1.51 0.00 0.00 54.79 50.02 2nln n ASP 90 Cb 0.00 -1.57 -0.10 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 5.42 1.92 0.00 1.67 0.23 -1.20 -0.16 115.26 123.14 2nln n ASN 91 Ca 0.41 0.37 0.09 0.00 -0.53 0.00 0.00 54.58 54.92 2nln n ASN 91 Cb 0.41 -0.86 0.47 0.00 -2.08 0.00 0.00 39.78 37.71 2nln n ASN 91 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2nln n ASP 92 N -4.33 0.00 0.00 0.53 8.00 -1.26 -4.16 116.55 115.33 2nln n ASP 92 Ca -0.45 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2nln n ASP 92 Cb 0.79 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2nln n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nln n GLY 93 N 0.30 0.31 0.00 0.44 0.00 -1.26 -4.93 105.19 100.05 2nln n GLY 93 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.33 0.00 -1.36 1.61 8.00 -1.26 -4.88 116.55 118.33 2nln n ASP 94 Ca 0.00 -0.21 -0.11 0.00 0.71 0.00 0.00 54.79 55.18 2nln n ASP 94 Cb 0.00 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.65 1.01 3.74 0.44 0.00 0.77 -4.93 105.19 106.87 2nln n GLY 95 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.00 2.65 -0.30 1.61 2.36 -0.41 -2.26 119.74 120.38 2nln s LYS 96 Ca 0.00 -1.16 -0.02 0.00 -2.55 0.00 0.00 55.97 52.24 2nln s LYS 96 Cb 0.00 -2.41 0.10 0.00 -1.05 0.00 0.00 37.83 34.46 2nln s LYS 96 CO 0.00 0.40 0.11 0.42 1.55 0.00 0.00 175.35 177.83 2nln s ILE 97 N -2.11 0.55 0.42 5.43 -1.09 0.13 -2.06 121.20 122.48 2nln s ILE 97 Ca 0.32 -1.17 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 2nln s ILE 97 Cb -0.08 -1.43 -0.05 0.00 -1.58 0.00 0.00 42.46 39.33 2nln s ILE 97 CO 0.22 -0.69 0.17 -0.83 -1.23 0.00 0.00 174.94 172.58 2nln s GLY 98 N 1.78 2.39 0.19 6.18 0.00 -1.26 -2.77 107.32 113.83 2nln s GLY 98 Ca 0.09 -2.03 -0.13 0.00 0.00 0.00 0.00 44.72 42.66 2nln s GLY 98 CO -0.29 -1.95 1.69 0.00 0.00 0.00 0.00 173.10 172.56 2nln h ALA 99 N 1.43 0.54 0.31 3.20 0.00 -1.92 1.49 119.26 124.30 2nln h ALA 99 Ca -0.43 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2nln h ALA 99 Cb 1.26 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2nln h ALA 99 CO 0.71 -0.36 -0.15 0.22 0.00 0.00 0.00 179.25 179.67 2nln h ASP 100 N 0.16 -0.36 -0.32 0.00 3.58 -1.97 0.49 116.42 118.01 2nln h ASP 100 Ca 0.27 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2nln h ASP 100 Cb 0.40 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2nln h ASP 100 CO -0.41 -0.25 0.20 -0.33 -2.88 0.00 0.00 179.24 175.58 2nln h GLU 101 N -0.42 0.42 -0.60 0.28 3.07 -1.80 -1.81 114.58 113.72 2nln h GLU 101 Ca -0.04 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.88 2nln h GLU 101 Cb 0.32 -0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 28.07 2nln h GLU 101 CO 0.07 0.29 0.22 0.35 -1.40 0.00 0.00 179.01 178.54 2nln h PHE 102 N 0.42 0.38 -0.59 4.33 3.04 0.23 0.18 116.94 124.92 2nln h PHE 102 Ca 0.11 0.03 0.13 0.00 3.98 0.00 0.00 57.97 62.22 2nln h PHE 102 Cb -0.03 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 2nln h PHE 102 CO -0.05 0.09 0.41 1.96 -2.02 0.00 0.00 178.31 178.70 2nln h GLN 103 N 0.40 0.25 -0.51 1.11 4.20 0.78 0.81 115.11 122.16 2nln h GLN 103 Ca 0.30 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 2nln h GLN 103 Cb 0.37 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2nln h GLN 103 CO -0.30 0.17 0.22 1.05 -0.67 0.00 0.00 178.83 179.30 2nln h GLU 104 N 0.26 0.71 0.90 1.46 -0.00 0.02 0.41 114.58 118.34 2nln h GLU 104 Ca 0.28 -0.09 -0.04 0.00 -0.00 0.00 0.00 59.36 59.51 2nln h GLU 104 Cb 0.76 -0.14 0.01 0.00 -0.00 0.00 0.00 28.75 29.38 2nln h GLU 104 CO -0.06 0.57 -0.43 1.98 -0.00 0.00 0.00 179.01 181.07 2nln h MET 105 N 0.71 -1.17 0.00 1.06 4.05 -0.64 0.52 114.93 119.46 2nln h MET 105 Ca 0.18 0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 2nln h MET 105 Cb 0.11 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2nln h MET 105 CO -0.02 -0.78 -0.10 -0.24 0.23 0.00 0.00 176.91 176.00 2nln h VAL 106 N -1.27 1.05 0.00 -5.77 3.04 -1.42 -1.96 116.25 109.92 2nln h VAL 106 Ca -0.12 -0.36 -0.12 0.00 -1.01 0.00 0.00 66.70 65.08 2nln h VAL 106 Cb 0.93 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 2nln h VAL 106 CO 0.20 0.10 -0.74 -0.74 -1.01 0.00 0.00 177.57 175.39 2nln h HIS 107 N 0.00 0.00 0.00 3.17 -0.00 -0.81 -3.50 115.15 114.02 2nln h HIS 107 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2nln h HIS 107 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2nln h HIS 107 CO 0.00 0.54 0.00 0.45 -0.00 0.00 0.00 177.93 178.92