#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mgj s VAL 1 N 0.00 -0.74 0.43 3.17 1.01 -1.26 -5.07 120.40 117.95 2mgj s VAL 1 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2mgj s VAL 1 Cb 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 36.38 35.51 2mgj s VAL 1 CO 0.00 0.04 0.96 -0.76 0.00 0.00 0.00 175.10 175.34 2mgj s LEU 2 N 2.68 3.94 0.82 3.92 1.02 -1.26 -5.08 118.68 124.72 2mgj s LEU 2 Ca -0.02 1.72 -0.12 0.00 0.02 0.00 0.00 54.13 55.73 2mgj s LEU 2 Cb -0.12 -4.53 0.08 0.00 0.02 0.00 0.00 46.19 41.64 2mgj s LEU 2 CO -0.15 -0.40 1.15 -0.94 0.02 0.00 0.00 176.35 176.04 2mgj s SER 3 N -2.15 4.38 0.23 2.29 1.04 -1.26 -4.90 113.70 113.34 2mgj s SER 3 Ca 0.62 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 2mgj s SER 3 Cb -0.10 -1.46 0.25 0.00 0.10 0.00 0.00 66.02 64.81 2mgj s SER 3 CO 0.14 -2.00 1.66 -0.08 0.98 0.00 0.00 173.24 173.94 2mgj h GLU 4 N -1.12 0.68 -0.78 4.02 4.57 -1.99 -1.74 114.58 118.23 2mgj h GLU 4 Ca -0.47 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 57.41 2mgj h GLU 4 Cb 1.32 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 2mgj h GLU 4 CO 0.64 0.85 0.38 0.78 -1.18 0.00 0.00 179.01 180.49 2mgj h GLY 5 N 0.99 1.19 0.95 1.92 0.00 -2.00 -1.76 103.07 104.36 2mgj h GLY 5 Ca 0.08 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2mgj h GLY 5 CO 0.05 0.54 0.03 0.83 0.00 0.00 0.00 176.54 178.00 2mgj h GLU 6 N 1.10 0.72 -0.89 4.80 5.08 -1.79 -2.46 114.58 121.14 2mgj h GLU 6 Ca 0.27 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2mgj h GLU 6 Cb 0.10 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2mgj h GLU 6 CO -0.04 0.78 0.59 -1.49 -1.00 0.00 0.00 179.01 177.85 2mgj h TRP 7 N 0.56 1.07 -0.07 4.33 -0.00 -1.20 -1.86 115.95 118.78 2mgj h TRP 7 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.04 2mgj h TRP 7 Cb 0.44 -0.36 -0.00 0.00 -0.00 0.00 0.00 29.16 29.24 2mgj h TRP 7 CO 0.03 0.61 0.04 1.96 -0.00 0.00 0.00 178.44 181.09 2mgj h GLN 8 N 1.10 0.09 -0.41 0.49 4.20 -1.07 0.14 115.11 119.66 2mgj h GLN 8 Ca 0.36 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.09 2mgj h GLN 8 Cb 0.05 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2mgj h GLN 8 CO -0.11 0.09 0.27 -0.07 -0.67 0.00 0.00 178.83 178.34 2mgj h LEU 9 N 0.06 0.38 -0.05 1.46 3.38 -0.96 -0.75 115.31 118.83 2mgj h LEU 9 Ca 0.02 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 2mgj h LEU 9 Cb 0.02 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.70 2mgj h LEU 9 CO -0.00 0.26 -0.97 0.58 0.09 0.00 0.00 178.44 178.40 2mgj h VAL 10 N 0.44 1.28 0.00 1.22 2.07 -1.02 -2.76 116.25 117.47 2mgj h VAL 10 Ca 0.16 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2mgj h VAL 10 Cb 0.11 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2mgj h VAL 10 CO -0.04 0.68 -0.13 0.18 0.02 0.00 0.00 177.57 178.27 2mgj n LEU 11 N -3.88 0.59 0.04 2.57 4.77 0.46 -1.53 117.00 120.01 2mgj n LEU 11 Ca -0.10 0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 56.15 2mgj n LEU 11 Cb 0.84 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 2mgj n LEU 11 CO 0.55 -0.10 0.08 -0.74 -1.33 0.00 0.00 177.39 175.86 2mgj h HIS 12 N 0.00 0.50 0.00 -1.77 2.76 -1.01 -1.72 115.15 113.91 2mgj h HIS 12 Ca 0.00 -0.36 -0.07 0.00 -2.20 0.00 0.00 60.37 57.73 2mgj h HIS 12 Cb 0.67 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 2mgj h HIS 12 CO 0.00 1.28 -0.35 -0.24 -1.30 0.00 0.00 177.93 177.32 2mgj h VAL 13 N -0.41 0.79 0.00 5.26 3.04 -1.31 -2.96 116.25 120.66 2mgj h VAL 13 Ca -0.13 -1.50 -0.09 0.00 -1.01 0.00 0.00 66.70 63.97 2mgj h VAL 13 Cb 1.57 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.79 2mgj h VAL 13 CO 0.14 0.34 -0.45 -0.25 -1.01 0.00 0.00 177.57 176.35 2mgj h TRP 14 N 0.00 0.00 0.00 3.17 2.91 -1.11 -0.06 115.95 120.86 2mgj h TRP 14 Ca -0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2mgj h TRP 14 Cb 0.92 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.57 2mgj h TRP 14 CO 0.00 0.45 -0.19 0.00 -1.03 0.00 0.00 178.44 177.66 2mgj h ALA 15 N 1.55 1.10 0.20 2.65 0.00 -1.14 -1.05 119.26 122.57 2mgj h ALA 15 Ca -0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 2mgj h ALA 15 Cb 0.86 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.65 2mgj h ALA 15 CO 0.06 0.24 -1.16 0.87 0.00 0.00 0.00 179.25 179.26 2mgj h LYS 16 N 0.00 0.42 -0.82 0.00 1.79 -1.04 -3.08 116.57 113.84 2mgj h LYS 16 Ca -0.00 -0.72 0.10 0.00 -2.18 0.00 0.00 60.65 57.85 2mgj h LYS 16 Cb 0.61 0.27 -0.08 0.00 -1.58 0.00 0.00 32.23 31.45 2mgj h LYS 16 CO 0.02 1.35 0.45 0.28 -1.08 0.00 0.00 179.45 180.48 2mgj h VAL 17 N -0.11 0.87 0.00 0.50 2.07 -0.86 -2.33 116.25 116.39 2mgj h VAL 17 Ca -0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2mgj h VAL 17 Cb 1.91 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2mgj h VAL 17 CO 0.21 0.14 0.00 -0.62 0.02 0.00 0.00 177.57 177.32 2mgj n GLU 18 N -4.78 0.09 0.24 1.57 1.02 -0.44 -1.68 120.64 116.66 2mgj n GLU 18 Ca 0.14 0.53 0.15 0.00 -0.02 0.00 0.00 57.16 57.96 2mgj n GLU 18 Cb 0.31 -1.76 0.54 0.00 -0.02 0.00 0.00 31.44 30.51 2mgj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mgj h ALA 19 N 2.08 1.00 -1.62 0.62 0.00 -1.43 -3.37 119.26 116.55 2mgj h ALA 19 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2mgj h ALA 19 Cb 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.58 2mgj h ALA 19 CO 0.00 0.00 -0.78 -3.47 0.00 0.00 0.00 179.25 175.00 2mgj n ASP 20 N -2.95 -1.65 0.12 0.00 2.03 -0.68 -5.02 116.55 108.40 2mgj n ASP 20 Ca 0.02 -2.69 -0.02 0.00 0.52 0.00 0.00 54.79 52.61 2mgj n ASP 20 Cb 0.35 0.45 0.16 0.00 -0.72 0.00 0.00 41.12 41.36 2mgj n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2mgj h VAL 21 N 4.23 1.43 -0.20 5.18 3.04 -1.72 -2.43 116.25 125.78 2mgj h VAL 21 Ca 0.13 -2.07 -0.21 0.00 -1.01 0.00 0.00 66.70 63.53 2mgj h VAL 21 Cb 0.99 2.10 0.01 0.00 -2.01 0.00 0.00 31.29 32.37 2mgj h VAL 21 CO 0.26 0.60 -0.71 0.00 -1.01 0.00 0.00 177.57 176.71 2mgj h ALA 22 N 1.32 0.36 -0.44 3.17 0.00 -1.93 0.11 119.26 121.85 2mgj h ALA 22 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2mgj h ALA 22 Cb 1.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2mgj h ALA 22 CO 0.08 0.68 0.12 0.78 0.00 0.00 0.00 179.25 180.92 2mgj h GLY 23 N 0.60 0.74 0.92 0.00 0.00 -1.94 -0.74 103.07 102.66 2mgj h GLY 23 Ca -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2mgj h GLY 23 CO 0.15 0.42 0.02 0.45 0.00 0.00 0.00 176.54 177.58 2mgj h HIS 24 N 0.57 0.67 -0.66 5.60 3.86 -1.26 -1.92 115.15 122.00 2mgj h HIS 24 Ca 0.14 -0.11 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 2mgj h HIS 24 Cb 0.29 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.52 2mgj h HIS 24 CO 0.02 0.71 0.31 0.78 0.86 0.00 0.00 177.93 180.60 2mgj h GLY 25 N 0.43 0.97 0.97 2.45 0.00 -0.52 -1.30 103.07 106.08 2mgj h GLY 25 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2mgj h GLY 25 CO 0.02 0.03 -0.38 1.46 0.00 0.00 0.00 176.54 177.67 2mgj h GLN 26 N 0.53 -1.03 -0.69 4.80 4.20 -1.08 -2.30 115.11 119.54 2mgj h GLN 26 Ca 0.33 0.07 0.15 0.00 0.06 0.00 0.00 58.65 59.26 2mgj h GLN 26 Cb 0.36 0.23 -0.12 0.00 0.30 0.00 0.00 27.48 28.25 2mgj h GLN 26 CO -0.28 -0.68 -0.05 -0.44 -0.67 0.00 0.00 178.83 176.71 2mgj h ASP 27 N -1.11 -0.42 -0.10 1.46 5.19 -1.25 -1.33 116.42 118.86 2mgj h ASP 27 Ca -0.11 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2mgj h ASP 27 Cb 0.83 0.35 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 2mgj h ASP 27 CO 0.18 -0.18 0.05 0.40 -3.12 0.00 0.00 179.24 176.57 2mgj h ILE 28 N 0.07 1.11 -0.25 0.35 2.04 -1.15 -0.89 117.51 118.78 2mgj h ILE 28 Ca 0.36 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 2mgj h ILE 28 Cb 0.60 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2mgj h ILE 28 CO -0.64 0.10 -0.18 -0.07 0.00 0.00 0.00 178.15 177.36 2mgj h LEU 29 N 0.04 0.43 -0.42 1.44 3.38 -1.25 -0.03 115.31 118.91 2mgj h LEU 29 Ca 0.03 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 2mgj h LEU 29 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2mgj h LEU 29 CO -0.00 0.63 -0.53 0.40 0.09 0.00 0.00 178.44 179.03 2mgj h ILE 30 N 0.40 1.29 -0.75 1.22 2.04 -1.20 0.11 117.51 120.63 2mgj h ILE 30 Ca 0.07 -1.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 2mgj h ILE 30 Cb 0.55 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2mgj h ILE 30 CO 0.04 0.56 0.32 -0.09 0.00 0.00 0.00 178.15 178.97 2mgj h ARG 31 N 0.57 1.10 0.07 2.37 9.65 -0.90 0.17 114.38 127.41 2mgj h ARG 31 Ca 0.02 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2mgj h ARG 31 Cb 1.11 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2mgj h ARG 31 CO 0.11 0.88 -0.03 1.25 2.80 0.00 0.00 179.97 184.98 2mgj h LEU 32 N 1.08 -0.08 -1.04 3.80 5.85 -0.49 -1.44 115.31 123.01 2mgj h LEU 32 Ca 0.25 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2mgj h LEU 32 Cb 0.18 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2mgj h LEU 32 CO -0.02 0.25 0.15 -0.26 -0.34 0.00 0.00 178.44 178.21 2mgj h PHE 33 N -0.41 0.86 -0.08 1.25 0.04 -0.61 0.17 116.94 118.16 2mgj h PHE 33 Ca -0.01 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2mgj h PHE 33 Cb 0.36 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 2mgj h PHE 33 CO 0.03 0.71 -0.01 0.87 -0.60 0.00 0.00 178.31 179.31 2mgj h LYS 34 N 0.81 0.14 -0.55 1.51 1.57 -0.53 -2.76 116.57 116.76 2mgj h LYS 34 Ca 0.18 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2mgj h LYS 34 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2mgj h LYS 34 CO -0.00 0.45 0.21 0.77 -0.57 0.00 0.00 179.45 180.30 2mgj h SER 35 N -0.18 0.78 -2.80 0.86 0.02 -1.17 -3.40 113.55 107.66 2mgj h SER 35 Ca 0.02 -0.18 -0.60 0.00 -0.84 0.00 0.00 61.79 60.19 2mgj h SER 35 Cb 0.39 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 62.34 2mgj h SER 35 CO 0.01 0.75 -0.81 -1.00 -1.14 0.00 0.00 176.83 174.64 2mgj s HIS 36 N -5.50 1.97 0.46 3.45 3.76 0.59 -4.99 115.29 115.02 2mgj s HIS 36 Ca -0.13 -2.61 0.32 0.00 -0.15 0.00 0.00 55.06 52.50 2mgj s HIS 36 Cb 0.12 -1.62 1.72 0.00 1.11 0.00 0.00 32.58 33.91 2mgj s HIS 36 CO 0.79 -0.74 2.16 -1.35 -0.85 0.00 0.00 174.74 174.75 2mgj h PRO 37 N 5.84 0.00 0.00 8.40 0.11 -1.68 0.75 132.00 145.42 2mgj h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2mgj h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2mgj h PRO 37 CO 0.49 0.06 -0.05 1.05 -0.21 0.00 0.00 178.00 179.34 2mgj h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.35 114.58 121.45 2mgj h GLU 38 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2mgj h GLU 38 Cb 0.22 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2mgj h GLU 38 CO 0.01 0.05 -0.01 1.79 0.05 0.00 0.00 179.01 180.89 2mgj h THR 39 N 0.00 0.04 0.00 -1.06 1.35 -1.18 -2.42 112.91 109.64 2mgj h THR 39 Ca -0.00 -0.45 -0.02 0.00 -0.55 0.00 0.00 66.41 65.40 2mgj h THR 39 Cb 0.11 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2mgj h THR 39 CO 0.01 0.01 -0.08 0.25 -0.25 0.00 0.00 175.52 175.46 2mgj h LEU 40 N 0.00 0.00 -1.65 3.87 5.85 -1.42 -1.66 115.31 120.31 2mgj h LEU 40 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2mgj h LEU 40 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2mgj h LEU 40 CO 0.00 0.08 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.65 2mgj h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.57 -0.23 114.58 119.12 2mgj h GLU 41 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2mgj h GLU 41 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2mgj h GLU 41 CO 0.01 0.20 -0.22 0.87 -1.00 0.00 0.00 179.01 178.87 2mgj h LYS 42 N 0.00 0.00 -5.05 2.33 1.79 -1.45 -3.37 116.57 110.83 2mgj h LYS 42 Ca -0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 2mgj h LYS 42 Cb 0.41 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.88 2mgj h LYS 42 CO 0.03 0.22 0.67 -0.06 -1.08 0.00 0.00 179.45 179.23 2mgj s PHE 43 N -3.87 3.03 0.52 -1.35 0.40 -0.10 -4.84 117.98 111.77 2mgj s PHE 43 Ca -0.01 -1.17 0.36 0.00 -0.60 0.00 0.00 56.93 55.50 2mgj s PHE 43 Cb 0.12 -4.24 1.92 0.00 0.51 0.00 0.00 43.02 41.33 2mgj s PHE 43 CO 0.63 -1.49 2.23 -0.44 0.70 0.00 0.00 175.22 176.85 2mgj h ASP 44 N 9.00 0.00 -0.30 1.36 5.19 -1.81 0.21 116.42 130.07 2mgj h ASP 44 Ca 0.01 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 2mgj h ASP 44 Cb 1.04 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 2mgj h ASP 44 CO 1.11 0.03 -0.09 -0.09 -3.12 0.00 0.00 179.24 177.08 2mgj h ARG 45 N 0.00 0.71 -0.38 3.56 9.65 -1.93 -3.28 114.38 122.71 2mgj h ARG 45 Ca -0.00 -0.22 -0.27 0.00 -1.10 0.00 0.00 59.98 58.39 2mgj h ARG 45 Cb 0.15 -0.07 -0.24 0.00 -1.39 0.00 0.00 29.97 28.42 2mgj h ARG 45 CO 0.00 0.79 -0.65 1.97 2.80 0.00 0.00 179.97 184.88 2mgj n PHE 46 N -4.18 -1.30 0.02 2.20 1.16 0.69 -4.88 117.46 111.16 2mgj n PHE 46 Ca 0.01 -2.27 -0.04 0.00 -1.87 0.00 0.00 57.45 53.28 2mgj n PHE 46 Cb 0.34 0.93 0.19 0.00 -1.61 0.00 0.00 39.48 39.33 2mgj n PHE 46 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 2mgj h LYS 47 N 2.41 0.48 0.00 3.97 3.64 -1.47 -1.84 116.57 123.76 2mgj h LYS 47 Ca -0.20 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2mgj h LYS 47 Cb 1.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2mgj h LYS 47 CO 0.14 0.72 0.00 1.12 -2.27 0.00 0.00 179.45 179.16 2mgj h HIS 48 N 0.42 0.00 -2.25 1.91 2.07 -1.88 -3.46 115.15 111.96 2mgj h HIS 48 Ca 0.06 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 57.02 2mgj h HIS 48 Cb 0.72 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.71 2mgj h HIS 48 CO 0.02 0.00 1.25 1.28 -3.07 0.00 0.00 177.93 177.42 2mgj n LEU 49 N -2.59 3.94 0.00 6.12 4.77 -0.70 -4.91 117.00 123.64 2mgj n LEU 49 Ca 0.01 0.82 -0.18 0.00 -0.03 0.00 0.00 56.01 56.63 2mgj n LEU 49 Cb 0.25 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.70 2mgj n LEU 49 CO 0.23 0.05 -0.71 0.11 -1.33 0.00 0.00 177.39 175.74 2mgj h LYS 50 N 11.01 0.19 -5.54 3.23 1.57 -1.90 -3.49 116.57 121.63 2mgj h LYS 50 Ca -0.48 -0.33 -0.64 0.00 -1.87 0.00 0.00 60.65 57.33 2mgj h LYS 50 Cb 1.25 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.56 2mgj h LYS 50 CO 0.94 1.01 -0.54 0.95 -0.57 0.00 0.00 179.45 181.24 2mgj s THR 51 N -2.57 1.73 0.28 -0.16 -4.23 -1.26 -5.01 115.64 104.42 2mgj s THR 51 Ca -0.17 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2mgj s THR 51 Cb 0.07 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.30 2mgj s THR 51 CO 0.79 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.50 2mgj h GLU 52 N 1.53 0.43 -0.07 3.99 4.81 -1.99 0.12 114.58 123.41 2mgj h GLU 52 Ca -0.43 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 58.52 2mgj h GLU 52 Cb 1.27 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2mgj h GLU 52 CO 0.76 0.69 -0.41 0.00 -0.73 0.00 0.00 179.01 179.32 2mgj h ALA 53 N 1.31 1.19 -0.44 2.92 0.00 -1.98 0.11 119.26 122.36 2mgj h ALA 53 Ca 0.05 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2mgj h ALA 53 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2mgj h ALA 53 CO 0.05 0.56 -0.20 0.93 0.00 0.00 0.00 179.25 180.60 2mgj h GLU 54 N 0.13 0.91 -0.86 0.00 5.08 -1.23 -2.52 114.58 116.09 2mgj h GLU 54 Ca 0.01 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2mgj h GLU 54 Cb 0.78 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2mgj h GLU 54 CO 0.06 1.05 0.48 0.52 -1.00 0.00 0.00 179.01 180.11 2mgj h MET 55 N 0.74 1.20 0.00 2.33 2.86 -0.61 -1.77 114.93 119.68 2mgj h MET 55 Ca 0.10 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2mgj h MET 55 Cb 0.76 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2mgj h MET 55 CO 0.06 0.88 -0.04 0.87 1.06 0.00 0.00 176.91 179.74 2mgj h LYS 56 N 1.20 0.00 -0.32 1.72 1.57 -0.64 -0.48 116.57 119.62 2mgj h LYS 56 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2mgj h LYS 56 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2mgj h LYS 56 CO -0.05 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 2mgj n ALA 57 N -2.13 2.39 -2.63 3.86 0.00 -0.72 -4.86 120.51 116.41 2mgj n ALA 57 Ca -0.01 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.06 2mgj n ALA 57 Cb 0.24 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 2mgj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mgj s SER 58 N -1.32 6.81 0.33 0.00 0.15 -0.19 -4.88 113.70 114.60 2mgj s SER 58 Ca 0.32 0.95 0.12 0.00 0.70 0.00 0.00 55.95 58.04 2mgj s SER 58 Cb 0.19 -2.45 0.55 0.00 -1.71 0.00 0.00 66.02 62.60 2mgj s SER 58 CO 0.26 -0.60 1.72 -0.08 1.20 0.00 0.00 173.24 175.74 2mgj h GLU 59 N 7.84 0.00 -0.09 5.44 4.57 -1.89 -2.80 114.58 127.65 2mgj h GLU 59 Ca -0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2mgj h GLU 59 Cb 1.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2mgj h GLU 59 CO 0.90 0.49 0.03 -0.44 -1.18 0.00 0.00 179.01 178.81 2mgj h ASP 60 N 0.00 0.13 -0.74 1.04 3.32 -1.97 -1.59 116.42 116.62 2mgj h ASP 60 Ca -0.00 -0.21 0.08 0.00 0.02 0.00 0.00 57.03 56.92 2mgj h ASP 60 Cb 0.89 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 2mgj h ASP 60 CO 0.06 0.30 0.48 0.25 -1.72 0.00 0.00 179.24 178.62 2mgj h LEU 61 N -0.05 0.64 -0.30 1.55 6.46 -1.88 -2.12 115.31 119.60 2mgj h LEU 61 Ca 0.03 0.01 -0.20 0.00 -0.12 0.00 0.00 57.88 57.59 2mgj h LEU 61 Cb 0.22 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2mgj h LEU 61 CO -0.00 0.40 -0.77 0.50 -0.62 0.00 0.00 178.44 177.95 2mgj h LYS 62 N 0.73 0.51 -0.44 1.25 3.64 -1.45 -0.43 116.57 120.38 2mgj h LYS 62 Ca 0.33 -0.44 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 2mgj h LYS 62 Cb 0.34 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2mgj h LYS 62 CO -0.11 1.07 0.10 0.87 -2.27 0.00 0.00 179.45 179.11 2mgj h LYS 63 N 0.34 0.71 -0.79 1.90 1.57 -1.08 -1.51 116.57 117.71 2mgj h LYS 63 Ca -0.04 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2mgj h LYS 63 Cb 1.37 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 2mgj h LYS 63 CO 0.14 0.71 0.49 0.28 -0.57 0.00 0.00 179.45 180.50 2mgj h VAL 64 N 0.58 1.22 -0.75 0.50 2.07 -1.14 -1.82 116.25 116.90 2mgj h VAL 64 Ca 0.14 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2mgj h VAL 64 Cb 0.33 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2mgj h VAL 64 CO 0.00 0.23 0.48 1.23 0.02 0.00 0.00 177.57 179.53 2mgj h GLY 65 N 1.09 1.09 1.26 2.17 0.00 -0.35 -0.27 103.07 108.05 2mgj h GLY 65 Ca 0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2mgj h GLY 65 CO -0.05 0.30 0.21 -2.08 0.00 0.00 0.00 176.54 174.91 2mgj h VAL 66 N 0.92 1.23 -0.12 4.60 2.07 -1.02 -1.61 116.25 122.32 2mgj h VAL 66 Ca 0.30 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2mgj h VAL 66 Cb 0.03 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2mgj h VAL 66 CO -0.12 0.30 -0.33 0.74 0.02 0.00 0.00 177.57 178.19 2mgj h THR 67 N 0.91 1.27 -0.04 2.57 2.02 -0.60 0.64 112.91 119.68 2mgj h THR 67 Ca 0.21 -1.30 -0.12 0.00 0.77 0.00 0.00 66.41 65.97 2mgj h THR 67 Cb 0.24 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2mgj h THR 67 CO -0.01 0.39 -0.43 0.58 0.37 0.00 0.00 175.52 176.42 2mgj h VAL 68 N 0.20 1.44 -0.22 3.16 2.07 -0.92 -2.23 116.25 119.75 2mgj h VAL 68 Ca 0.03 -1.90 -0.14 0.00 0.82 0.00 0.00 66.70 65.51 2mgj h VAL 68 Cb 0.68 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2mgj h VAL 68 CO 0.05 0.55 -0.40 -0.07 0.02 0.00 0.00 177.57 177.72 2mgj h LEU 69 N -0.16 0.73 -1.00 2.57 3.38 -1.16 -1.11 115.31 118.56 2mgj h LEU 69 Ca -0.04 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.44 2mgj h LEU 69 Cb 1.12 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2mgj h LEU 69 CO 0.09 1.13 0.65 0.74 0.09 0.00 0.00 178.44 181.13 2mgj h THR 70 N 0.35 1.13 -0.09 0.22 2.02 -0.86 -0.40 112.91 115.28 2mgj h THR 70 Ca 0.01 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 2mgj h THR 70 Cb 0.99 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2mgj h THR 70 CO 0.09 0.22 -0.57 0.00 0.37 0.00 0.00 175.52 175.64 2mgj h ALA 71 N 1.43 0.88 0.01 6.16 0.00 -1.19 -2.09 119.26 124.46 2mgj h ALA 71 Ca 0.42 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2mgj h ALA 71 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2mgj h ALA 71 CO -0.15 0.70 -0.01 1.25 0.00 0.00 0.00 179.25 181.04 2mgj h LEU 72 N 0.20 -0.01 -0.96 0.00 5.85 -0.98 -2.42 115.31 116.98 2mgj h LEU 72 Ca -0.00 -0.37 0.18 0.00 0.84 0.00 0.00 57.88 58.53 2mgj h LEU 72 Cb 1.06 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 2mgj h LEU 72 CO 0.09 0.36 0.56 1.23 -0.34 0.00 0.00 178.44 180.34 2mgj h GLY 73 N -0.39 1.67 2.00 3.75 0.00 -0.99 -0.16 103.07 108.95 2mgj h GLY 73 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2mgj h GLY 73 CO 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 176.54 176.38 2mgj h ALA 74 N 1.62 1.17 0.22 3.60 0.00 -0.91 -1.48 119.26 123.48 2mgj h ALA 74 Ca 0.55 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 55.02 2mgj h ALA 74 Cb 0.82 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.62 2mgj h ALA 74 CO -0.38 0.14 -1.56 0.82 0.00 0.00 0.00 179.25 178.27 2mgj h ILE 75 N 0.00 1.14 -0.19 0.00 2.04 -0.86 -2.99 117.51 116.64 2mgj h ILE 75 Ca -0.00 -2.60 -0.09 0.00 1.00 0.00 0.00 64.86 63.17 2mgj h ILE 75 Cb 0.39 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 2mgj h ILE 75 CO 0.01 0.82 -0.30 -0.07 0.00 0.00 0.00 178.15 178.62 2mgj h LEU 76 N 0.08 0.37 -1.81 1.44 3.38 -0.79 -1.08 115.31 116.90 2mgj h LEU 76 Ca -0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2mgj h LEU 76 Cb 2.10 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 2mgj h LEU 76 CO 0.22 0.66 -0.02 0.11 0.09 0.00 0.00 178.44 179.49 2mgj h LYS 77 N 0.32 0.00 0.00 1.13 1.57 -1.14 -1.85 116.57 116.60 2mgj h LYS 77 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2mgj h LYS 77 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2mgj h LYS 77 CO 0.05 0.02 0.00 0.87 -0.57 0.00 0.00 179.45 179.83 2mgj h LYS 78 N 0.00 0.00 -4.64 3.15 1.79 -1.11 -3.48 116.57 112.28 2mgj h LYS 78 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 2mgj h LYS 78 Cb 0.40 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.15 2mgj h LYS 78 CO 0.00 0.00 -0.54 1.63 -1.08 0.00 0.00 179.45 179.46 2mgj n LYS 79 N -3.08 -5.87 0.00 3.15 5.02 -0.70 -1.23 118.16 115.45 2mgj n LYS 79 Ca 0.01 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2mgj n LYS 79 Cb 0.32 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 2mgj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mgj n GLY 80 N -1.65 2.74 2.99 0.72 0.00 -1.26 -4.95 105.19 103.78 2mgj n GLY 80 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2mgj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mgj n HIS 81 N -0.74 3.49 0.06 1.61 8.25 -0.36 -4.64 115.22 122.88 2mgj n HIS 81 Ca 0.00 -2.92 0.01 0.00 -0.26 0.00 0.00 57.72 54.54 2mgj n HIS 81 Cb 0.00 -2.11 0.01 0.00 1.12 0.00 0.00 29.99 29.01 2mgj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mgj n HIS 82 N 4.73 0.01 -0.17 4.41 1.44 -1.26 -4.74 115.22 119.64 2mgj n HIS 82 Ca 0.41 -0.09 -0.00 0.00 -2.01 0.00 0.00 57.72 56.03 2mgj n HIS 82 Cb 0.38 -0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.50 2mgj n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2mgj n GLU 83 N 0.02 -0.10 0.19 -1.40 4.71 -1.26 -1.60 120.64 121.20 2mgj n GLU 83 Ca 0.01 0.66 0.05 0.00 -0.01 0.00 0.00 57.16 57.88 2mgj n GLU 83 Cb 0.09 -0.98 0.36 0.00 -1.01 0.00 0.00 31.44 29.90 2mgj n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2mgj h ALA 84 N 0.59 1.06 0.00 0.62 0.00 -2.00 -2.69 119.26 116.84 2mgj h ALA 84 Ca 0.15 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2mgj h ALA 84 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2mgj h ALA 84 CO -0.43 0.46 -0.43 0.93 0.00 0.00 0.00 179.25 179.78 2mgj h GLU 85 N 0.00 0.00 0.09 0.00 3.07 -1.65 -3.29 114.58 112.80 2mgj h GLU 85 Ca -0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 2mgj h GLU 85 Cb 0.83 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.77 2mgj h GLU 85 CO 0.05 0.29 -1.19 -0.07 -1.40 0.00 0.00 179.01 176.69 2mgj h LEU 86 N 0.00 0.89 0.00 1.33 4.07 -1.01 -3.34 115.31 117.25 2mgj h LEU 86 Ca -0.01 -0.79 0.00 0.00 0.08 0.00 0.00 57.88 57.16 2mgj h LEU 86 Cb 1.25 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.71 2mgj h LEU 86 CO 0.04 1.59 0.00 0.29 -1.08 0.00 0.00 178.44 179.28 2mgj n LYS 87 N -3.80 0.00 -0.22 1.13 5.02 -1.11 -0.11 118.16 119.06 2mgj n LYS 87 Ca -0.13 0.77 0.27 0.00 -2.02 0.00 0.00 58.31 57.20 2mgj n LYS 87 Cb 0.96 -1.44 0.67 0.00 -0.02 0.00 0.00 35.03 35.19 2mgj n LYS 87 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2mgj h PRO 88 N 0.00 0.11 -0.15 1.97 0.13 -1.78 -0.28 132.00 132.01 2mgj h PRO 88 Ca 0.00 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2mgj h PRO 88 Cb 0.00 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.11 2mgj h PRO 88 CO 0.00 0.07 -0.59 1.25 -0.23 0.00 0.00 178.00 178.50 2mgj h LEU 89 N 0.12 0.77 -1.04 1.56 5.85 -1.57 -2.24 115.31 118.76 2mgj h LEU 89 Ca 0.47 -0.62 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2mgj h LEU 89 Cb 1.66 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2mgj h LEU 89 CO -0.07 1.26 -0.46 0.00 -0.34 0.00 0.00 178.44 178.84 2mgj h ALA 90 N 0.53 1.15 -0.05 1.25 0.00 -0.10 -2.38 119.26 119.65 2mgj h ALA 90 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2mgj h ALA 90 Cb 1.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2mgj h ALA 90 CO 0.12 0.57 -0.05 0.37 0.00 0.00 0.00 179.25 180.26 2mgj h GLN 91 N 0.00 0.13 -0.05 0.00 4.15 -0.86 -0.43 115.11 118.05 2mgj h GLN 91 Ca -0.00 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 2mgj h GLN 91 Cb 0.86 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 2mgj h GLN 91 CO 0.06 0.57 -0.57 0.66 -1.93 0.00 0.00 178.83 177.63 2mgj h SER 92 N -0.31 0.18 0.64 -0.69 4.64 -1.42 -1.91 113.55 114.68 2mgj h SER 92 Ca 0.01 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.06 2mgj h SER 92 Cb 0.55 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2mgj h SER 92 CO 0.01 0.71 -0.77 0.45 -0.87 0.00 0.00 176.83 176.36 2mgj h HIS 93 N 0.12 0.14 0.00 4.77 3.86 -1.40 -0.86 115.15 121.78 2mgj h HIS 93 Ca -0.00 -0.07 -0.21 0.00 -1.16 0.00 0.00 60.37 58.93 2mgj h HIS 93 Cb 1.03 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 2mgj h HIS 93 CO 0.01 0.82 -1.12 0.00 0.86 0.00 0.00 177.93 178.51 2mgj h ALA 94 N 1.16 0.53 0.00 2.45 0.00 -1.04 -0.07 119.26 122.29 2mgj h ALA 94 Ca -0.02 -0.95 -0.22 0.00 0.00 0.00 0.00 54.91 53.72 2mgj h ALA 94 Cb 1.35 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2mgj h ALA 94 CO 0.11 1.19 -1.83 2.41 0.00 0.00 0.00 179.25 181.13 2mgj n THR 95 N -3.21 0.83 -0.08 0.00 -1.04 -0.72 -3.81 114.28 106.24 2mgj n THR 95 Ca -0.04 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.05 61.47 2mgj n THR 95 Cb 0.92 -0.89 -0.05 0.00 -1.82 0.00 0.00 70.33 68.49 2mgj n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2mgj h LYS 96 N 0.00 0.00 0.00 -2.82 3.11 -1.35 -3.41 116.57 112.11 2mgj h LYS 96 Ca -0.33 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.46 2mgj h LYS 96 Cb 1.59 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.82 2mgj h LYS 96 CO -0.02 0.36 -1.14 0.72 -2.81 0.00 0.00 179.45 176.56 2mgj n HIS 97 N -4.55 0.97 -3.22 1.91 -0.00 -0.47 -5.00 115.22 104.87 2mgj n HIS 97 Ca -0.16 0.30 -0.13 0.00 -0.00 0.00 0.00 57.72 57.73 2mgj n HIS 97 Cb 0.41 -1.00 0.01 0.00 -0.00 0.00 0.00 29.99 29.41 2mgj n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2mgj n LYS 98 N -2.74 -1.73 -3.69 -0.41 4.01 -0.52 -4.97 118.16 108.11 2mgj n LYS 98 Ca -0.03 1.50 -0.39 0.00 -0.51 0.00 0.00 58.31 58.89 2mgj n LYS 98 Cb 0.64 -4.53 -0.12 0.00 -0.51 0.00 0.00 35.03 30.52 2mgj n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2mgj s ILE 99 N -2.69 4.04 0.95 -0.18 -1.09 -0.15 -5.02 121.20 117.06 2mgj s ILE 99 Ca 0.12 -1.13 -0.11 0.00 -2.23 0.00 0.00 60.65 57.30 2mgj s ILE 99 Cb -0.02 -3.32 0.14 0.00 -1.58 0.00 0.00 42.46 37.68 2mgj s ILE 99 CO 0.80 -0.26 1.00 -0.81 -1.23 0.00 0.00 174.94 174.44 2mgj n PRO 100 N 4.87 -0.65 -0.13 2.79 -0.04 -1.26 -4.84 135.00 135.74 2mgj n PRO 100 Ca -0.12 -0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.20 2mgj n PRO 100 Cb 0.45 -2.27 0.22 0.00 -0.04 0.00 0.00 33.50 31.86 2mgj n PRO 100 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2mgj h ILE 101 N -1.93 1.21 -0.64 0.52 1.08 -1.94 0.44 117.51 116.25 2mgj h ILE 101 Ca -0.45 -0.70 0.08 0.00 -0.39 0.00 0.00 64.86 63.40 2mgj h ILE 101 Cb 1.28 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 2mgj h ILE 101 CO 0.41 0.27 0.43 0.50 -0.69 0.00 0.00 178.15 179.06 2mgj h LYS 102 N 0.82 0.53 -0.35 2.37 1.63 -1.90 -1.45 116.57 118.23 2mgj h LYS 102 Ca 0.19 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.87 2mgj h LYS 102 Cb 0.20 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2mgj h LYS 102 CO -0.01 0.35 -0.15 1.88 -3.45 0.00 0.00 179.45 178.07 2mgj h TYR 103 N 0.55 0.69 -0.56 1.91 -1.99 -1.24 -1.78 116.97 114.55 2mgj h TYR 103 Ca 0.29 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 2mgj h TYR 103 Cb 0.42 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 2mgj h TYR 103 CO -0.00 0.75 0.14 -0.07 -0.00 0.00 0.00 178.16 178.97 2mgj h LEU 104 N 0.57 0.80 -0.32 3.88 3.38 -1.31 -1.67 115.31 120.64 2mgj h LEU 104 Ca 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2mgj h LEU 104 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2mgj h LEU 104 CO 0.04 0.79 0.21 -0.33 0.09 0.00 0.00 178.44 179.24 2mgj h GLU 105 N 0.83 0.42 -0.32 1.13 5.08 -0.76 -2.31 114.58 118.65 2mgj h GLU 105 Ca 0.18 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2mgj h GLU 105 Cb 0.30 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2mgj h GLU 105 CO -0.00 0.28 0.07 0.74 -1.00 0.00 0.00 179.01 179.09 2mgj h PHE 106 N 0.43 0.12 0.00 4.33 0.04 -1.15 -1.95 116.94 118.76 2mgj h PHE 106 Ca 0.12 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 2mgj h PHE 106 Cb -0.05 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2mgj h PHE 106 CO -0.06 0.03 -0.17 0.97 -0.60 0.00 0.00 178.31 178.49 2mgj h ILE 107 N 0.18 0.54 -0.19 -0.55 2.10 -1.31 -1.79 117.51 116.50 2mgj h ILE 107 Ca 0.15 -0.80 -0.12 0.00 1.08 0.00 0.00 64.86 65.17 2mgj h ILE 107 Cb 0.16 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 2mgj h ILE 107 CO -0.19 0.16 -0.39 0.28 -1.08 0.00 0.00 178.15 176.94 2mgj h SER 108 N 0.00 0.44 0.76 2.19 0.02 -0.81 0.17 113.55 116.31 2mgj h SER 108 Ca -0.00 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 2mgj h SER 108 Cb 0.53 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2mgj h SER 108 CO 0.02 0.78 -0.73 -0.08 -1.14 0.00 0.00 176.83 175.68 2mgj h GLU 109 N 0.35 0.00 -0.08 3.45 4.81 -1.05 -1.60 114.58 120.46 2mgj h GLU 109 Ca 0.03 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 2mgj h GLU 109 Cb 0.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.22 2mgj h GLU 109 CO 0.07 0.73 -0.83 0.00 -0.73 0.00 0.00 179.01 178.25 2mgj h ALA 110 N 1.27 0.39 -0.29 2.92 0.00 -0.63 -1.52 119.26 121.40 2mgj h ALA 110 Ca -0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2mgj h ALA 110 Cb 1.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2mgj h ALA 110 CO 0.10 0.73 0.15 0.82 0.00 0.00 0.00 179.25 181.05 2mgj h ILE 111 N 0.38 1.13 0.00 0.00 2.04 -0.67 -1.75 117.51 118.64 2mgj h ILE 111 Ca -0.06 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 2mgj h ILE 111 Cb 1.45 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2mgj h ILE 111 CO 0.16 0.14 -0.20 0.40 0.00 0.00 0.00 178.15 178.64 2mgj h ILE 112 N 0.34 1.02 -0.12 -0.67 2.04 -1.16 -0.85 117.51 118.10 2mgj h ILE 112 Ca 0.10 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.13 2mgj h ILE 112 Cb 0.08 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2mgj h ILE 112 CO -0.01 0.19 -0.40 -0.74 0.00 0.00 0.00 178.15 177.19 2mgj h HIS 113 N 0.00 0.64 -0.32 1.37 2.76 -1.00 -1.14 115.15 117.46 2mgj h HIS 113 Ca -0.00 -0.26 -0.08 0.00 -2.20 0.00 0.00 60.37 57.83 2mgj h HIS 113 Cb 0.38 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2mgj h HIS 113 CO 0.00 1.01 -0.11 0.28 -1.30 0.00 0.00 177.93 177.81 2mgj h VAL 114 N 0.08 1.28 -0.72 5.26 2.07 -1.06 -1.05 116.25 122.12 2mgj h VAL 114 Ca -0.02 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 2mgj h VAL 114 Cb 1.03 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2mgj h VAL 114 CO 0.09 0.39 0.44 -0.07 0.02 0.00 0.00 177.57 178.43 2mgj h LEU 115 N 0.42 0.86 -0.62 2.57 4.07 -1.11 0.40 115.31 121.90 2mgj h LEU 115 Ca 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2mgj h LEU 115 Cb 0.62 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 2mgj h LEU 115 CO 0.04 0.66 0.37 -0.74 -1.08 0.00 0.00 178.44 177.69 2mgj h HIS 116 N 0.98 0.82 -0.19 1.13 2.76 -1.03 -0.39 115.15 119.24 2mgj h HIS 116 Ca 0.26 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 2mgj h HIS 116 Cb -0.04 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 2mgj h HIS 116 CO -0.01 0.56 -0.07 0.77 -1.30 0.00 0.00 177.93 177.88 2mgj h SER 117 N 0.83 0.38 0.08 3.26 0.02 -0.69 -3.30 113.55 114.14 2mgj h SER 117 Ca 0.22 -0.39 -0.24 0.00 -0.84 0.00 0.00 61.79 60.54 2mgj h SER 117 Cb -0.01 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.43 2mgj h SER 117 CO -0.04 0.69 -0.92 0.03 -1.14 0.00 0.00 176.83 175.45 2mgj h ARG 118 N 0.07 0.62 -2.08 3.45 3.08 -0.90 -3.40 114.38 115.23 2mgj h ARG 118 Ca 0.04 -0.60 -0.62 0.00 0.07 0.00 0.00 59.98 58.87 2mgj h ARG 118 Cb 0.54 0.16 -0.40 0.00 0.08 0.00 0.00 29.97 30.35 2mgj h ARG 118 CO 0.02 1.22 -0.43 0.72 -1.07 0.00 0.00 179.97 180.43 2mgj n HIS 119 N -3.84 3.73 0.03 3.04 8.25 -0.16 -4.94 115.22 121.32 2mgj n HIS 119 Ca -0.08 -3.56 0.03 0.00 -0.26 0.00 0.00 57.72 53.85 2mgj n HIS 119 Cb 0.82 -0.48 0.41 0.00 1.12 0.00 0.00 29.99 31.86 2mgj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mgj h PRO 120 N 3.00 0.48 -0.12 -0.41 0.13 -1.73 0.13 132.00 133.47 2mgj h PRO 120 Ca 0.23 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.19 2mgj h PRO 120 Cb 0.57 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2mgj h PRO 120 CO 0.89 0.37 -0.49 0.78 -0.23 0.00 0.00 178.00 179.32 2mgj h GLY 121 N 0.58 0.35 -2.01 1.56 0.00 -1.92 -3.04 103.07 98.58 2mgj h GLY 121 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2mgj h GLY 121 CO -0.02 0.33 0.00 0.70 0.00 0.00 0.00 176.54 177.56 2mgj n ASN 122 N -3.97 3.10 -3.15 0.19 3.02 -0.57 -4.68 115.26 109.20 2mgj n ASN 122 Ca -0.02 -1.94 -0.23 0.00 -0.03 0.00 0.00 54.58 52.35 2mgj n ASN 122 Cb 0.54 -0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.46 2mgj n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2mgj n PHE 123 N 1.27 1.80 -0.60 3.10 7.35 0.34 -4.71 117.46 126.02 2mgj n PHE 123 Ca 0.18 -3.88 0.00 0.00 -0.76 0.00 0.00 57.45 52.99 2mgj n PHE 123 Cb 0.56 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.94 2mgj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2mgj n GLY 124 N 0.43 -1.17 0.09 7.13 0.00 -1.26 -4.58 105.19 105.84 2mgj n GLY 124 Ca 0.27 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2mgj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mgj h ALA 125 N -2.00 0.13 -0.49 4.61 0.00 -1.98 0.08 119.26 119.61 2mgj h ALA 125 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2mgj h ALA 125 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2mgj h ALA 125 CO 0.00 -0.18 0.28 -0.44 0.00 0.00 0.00 179.25 178.91 2mgj h ASP 126 N -0.12 0.60 -0.77 0.00 3.32 -1.99 -0.56 116.42 116.90 2mgj h ASP 126 Ca 0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2mgj h ASP 126 Cb 0.36 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2mgj h ASP 126 CO 0.01 0.50 0.44 0.00 -1.72 0.00 0.00 179.24 178.46 2mgj h ALA 127 N 1.12 1.30 -0.36 3.45 0.00 -1.79 -0.85 119.26 122.14 2mgj h ALA 127 Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2mgj h ALA 127 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2mgj h ALA 127 CO -0.03 0.58 -0.03 0.37 0.00 0.00 0.00 179.25 180.13 2mgj h GLN 128 N 1.08 0.66 -0.99 0.00 4.15 -0.80 -0.37 115.11 118.84 2mgj h GLN 128 Ca 0.28 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.49 2mgj h GLN 128 Cb 0.01 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.59 2mgj h GLN 128 CO -0.05 0.79 0.65 0.78 -1.93 0.00 0.00 178.83 179.07 2mgj h GLY 129 N 0.46 1.41 0.99 2.39 0.00 -0.90 -0.20 103.07 107.22 2mgj h GLY 129 Ca 0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 2mgj h GLY 129 CO 0.02 0.48 0.05 0.00 0.00 0.00 0.00 176.54 177.09 2mgj h ALA 130 N 1.40 0.65 -0.56 3.60 0.00 -0.96 -1.35 119.26 122.04 2mgj h ALA 130 Ca 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2mgj h ALA 130 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2mgj h ALA 130 CO -0.09 0.41 0.26 1.98 0.00 0.00 0.00 179.25 181.81 2mgj h MET 131 N 0.69 0.81 -0.49 0.00 -1.53 -0.85 -0.52 114.93 113.04 2mgj h MET 131 Ca 0.14 -0.12 0.02 0.00 -3.44 0.00 0.00 59.70 56.30 2mgj h MET 131 Cb 0.44 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.32 2mgj h MET 131 CO 0.02 0.67 0.30 -0.97 0.14 0.00 0.00 176.91 177.06 2mgj h ASN 132 N 0.76 0.50 -0.56 1.39 -1.24 -0.96 -0.54 115.58 114.92 2mgj h ASN 132 Ca 0.19 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.27 2mgj h ASN 132 Cb 0.13 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.01 2mgj h ASN 132 CO -0.02 0.35 0.25 0.50 -1.29 0.00 0.00 177.43 177.22 2mgj h LYS 133 N 0.60 0.45 -0.15 6.67 3.64 -0.80 0.12 116.57 127.11 2mgj h LYS 133 Ca 0.19 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2mgj h LYS 133 Cb -0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2mgj h LYS 133 CO -0.08 0.30 -0.18 0.00 -2.27 0.00 0.00 179.45 177.22 2mgj h ALA 134 N 1.35 1.41 0.16 5.00 0.00 -0.66 -0.41 119.26 126.11 2mgj h ALA 134 Ca 0.27 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 2mgj h ALA 134 Cb 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2mgj h ALA 134 CO -0.23 0.41 -1.38 -0.07 0.00 0.00 0.00 179.25 177.98 2mgj h LEU 135 N 0.24 0.55 -0.82 0.00 3.38 -0.85 -1.33 115.31 116.48 2mgj h LEU 135 Ca 0.04 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 2mgj h LEU 135 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2mgj h LEU 135 CO 0.03 1.49 0.49 -0.33 0.09 0.00 0.00 178.44 180.21 2mgj h GLU 136 N 0.10 1.11 0.05 1.13 5.08 -0.46 -0.43 114.58 121.15 2mgj h GLU 136 Ca -0.19 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2mgj h GLU 136 Cb 2.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 2mgj h GLU 136 CO 0.22 0.78 -0.11 1.25 -1.00 0.00 0.00 179.01 180.15 2mgj h LEU 137 N 1.12 -0.30 -0.57 1.33 5.85 -0.93 0.15 115.31 121.96 2mgj h LEU 137 Ca 0.29 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.15 2mgj h LEU 137 Cb -0.04 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2mgj h LEU 137 CO -0.06 -0.16 0.14 0.15 -0.34 0.00 0.00 178.44 178.18 2mgj h PHE 138 N -0.21 0.24 -0.48 1.25 3.57 -1.01 -2.19 116.94 118.11 2mgj h PHE 138 Ca 0.02 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2mgj h PHE 138 Cb 0.23 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2mgj h PHE 138 CO -0.15 0.01 0.06 0.00 -2.23 0.00 0.00 178.31 176.00 2mgj h ARG 139 N 0.29 0.81 -0.90 1.11 3.08 -0.67 -0.96 114.38 117.13 2mgj h ARG 139 Ca 0.29 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2mgj h ARG 139 Cb 0.40 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2mgj h ARG 139 CO -0.35 0.82 0.55 -0.22 -1.07 0.00 0.00 179.97 179.70 2mgj h LYS 140 N 0.67 1.22 -0.21 0.04 3.64 -0.85 0.44 116.57 121.52 2mgj h LYS 140 Ca 0.14 -0.10 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 2mgj h LYS 140 Cb 0.42 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2mgj h LYS 140 CO 0.01 0.84 -0.67 -0.44 -2.27 0.00 0.00 179.45 176.92 2mgj h ASP 141 N 1.24 0.94 -0.52 4.20 5.19 -1.26 -1.85 116.42 124.36 2mgj h ASP 141 Ca 0.32 -0.56 -0.09 0.00 -0.62 0.00 0.00 57.03 56.08 2mgj h ASP 141 Cb -0.07 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.15 2mgj h ASP 141 CO -0.06 1.36 -0.03 0.40 -3.12 0.00 0.00 179.24 177.79 2mgj h ILE 142 N 0.59 1.27 -0.79 0.35 1.08 -1.12 -1.31 117.51 117.57 2mgj h ILE 142 Ca -0.02 -1.14 0.03 0.00 -0.39 0.00 0.00 64.86 63.34 2mgj h ILE 142 Cb 1.29 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.96 2mgj h ILE 142 CO 0.14 0.40 0.50 0.00 -0.69 0.00 0.00 178.15 178.51 2mgj h ALA 143 N 0.93 1.03 -0.41 1.87 0.00 -0.77 -0.29 119.26 121.63 2mgj h ALA 143 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2mgj h ALA 143 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2mgj h ALA 143 CO 0.03 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.61 2mgj h ALA 144 N 1.32 1.24 -0.29 0.00 0.00 -1.01 -2.30 119.26 118.23 2mgj h ALA 144 Ca 0.31 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2mgj h ALA 144 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2mgj h ALA 144 CO -0.10 0.50 -0.40 0.87 0.00 0.00 0.00 179.25 180.12 2mgj h LYS 145 N 0.62 0.70 -0.16 0.00 6.56 -0.77 -2.65 116.57 120.86 2mgj h LYS 145 Ca 0.13 -0.36 0.05 0.00 -1.06 0.00 0.00 60.65 59.40 2mgj h LYS 145 Cb 0.39 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.01 2mgj h LYS 145 CO 0.01 0.98 -0.15 1.88 -2.06 0.00 0.00 179.45 180.11 2mgj h TYR 146 N 0.57 -0.38 -0.99 -1.35 -1.99 -0.71 -0.83 116.97 111.29 2mgj h TYR 146 Ca 0.05 0.02 0.16 0.00 2.00 0.00 0.00 58.73 60.96 2mgj h TYR 146 Cb 0.94 0.20 -0.10 0.00 2.00 0.00 0.00 36.73 39.77 2mgj h TYR 146 CO 0.05 -0.22 0.61 -0.22 -0.00 0.00 0.00 178.16 178.37 2mgj h LYS 147 N -0.17 0.83 -0.27 4.88 3.64 -1.30 0.07 116.57 124.26 2mgj h LYS 147 Ca 0.11 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2mgj h LYS 147 Cb 0.33 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2mgj h LYS 147 CO -0.27 0.55 -0.36 0.93 -2.27 0.00 0.00 179.45 178.04 2mgj h GLU 148 N 0.86 0.59 0.00 1.90 5.08 -0.99 -1.78 114.58 120.23 2mgj h GLU 148 Ca 0.53 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2mgj h GLU 148 Cb 0.70 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2mgj h GLU 148 CO -0.33 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 179.83 2mgj n LEU 149 N -4.05 0.00 0.00 1.33 4.77 -0.39 -4.94 117.00 113.72 2mgj n LEU 149 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2mgj n LEU 149 Cb 0.49 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2mgj n LEU 149 CO 0.45 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2mgj n GLY 150 N 0.89 0.78 0.57 -0.72 0.00 -0.67 -4.98 105.19 101.06 2mgj n GLY 150 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 2mgj n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2mgj n TYR 151 N -2.40 0.00 -1.53 1.61 9.36 -0.08 -5.01 117.16 119.12 2mgj n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2mgj n TYR 151 Cb 0.00 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.33 2mgj n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2mgj n GLN 152 N -3.36 -0.37 0.00 2.98 0.00 -0.95 -4.85 117.38 110.83 2mgj n GLN 152 Ca -0.20 0.46 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 2mgj n GLN 152 Cb 0.65 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 30.50 2mgj n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47