#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmg s ALA 3 N 0.00 3.91 0.53 4.61 0.00 -1.26 -4.98 121.76 124.57 2jmg s ALA 3 Ca 0.00 -0.76 0.29 0.00 0.00 0.00 0.00 51.96 51.49 2jmg s ALA 3 Cb 0.00 -1.95 1.44 0.00 0.00 0.00 0.00 23.12 22.62 2jmg s ALA 3 CO 0.00 0.70 1.92 -0.09 0.00 0.00 0.00 175.76 178.28 2jmg h ARG 4 N 2.76 0.02 -7.12 0.00 1.12 -2.04 -3.42 114.38 105.70 2jmg h ARG 4 Ca -0.46 -0.00 -0.55 0.00 -1.11 0.00 0.00 59.98 57.86 2jmg h ARG 4 Cb 1.17 -0.00 0.15 0.00 -0.01 0.00 0.00 29.97 31.28 2jmg h ARG 4 CO 0.73 0.01 0.49 0.00 -3.11 0.00 0.00 179.97 178.09 2jmg s ALA 5 N -5.01 2.36 1.03 2.80 0.00 -1.26 -5.02 121.76 116.67 2jmg s ALA 5 Ca -0.05 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 2jmg s ALA 5 Cb 0.21 -3.53 0.19 0.00 0.00 0.00 0.00 23.12 20.00 2jmg s ALA 5 CO 0.76 -1.58 1.06 -1.13 0.00 0.00 0.00 175.76 174.87 2jmg n SER 6 N -1.99 -0.23 -0.02 0.00 3.41 -1.26 -4.95 113.62 108.58 2jmg n SER 6 Ca 0.15 -1.34 -0.02 0.00 -0.26 0.00 0.00 58.87 57.41 2jmg n SER 6 Cb 0.49 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 2jmg n SER 6 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jmg n ARG 7 N -3.44 2.95 -1.43 4.33 3.00 -1.26 -5.05 116.66 115.75 2jmg n ARG 7 Ca 0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.69 2jmg n ARG 7 Cb 0.47 -1.08 0.13 0.00 0.00 0.00 0.00 32.46 31.98 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmg s LEU 8 N -4.39 2.16 0.00 6.15 1.43 -1.26 -5.09 118.68 117.69 2jmg s LEU 8 Ca -0.02 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.29 2jmg s LEU 8 Cb 0.01 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 2jmg s LEU 8 CO 0.12 -2.48 0.11 -0.24 0.23 0.00 0.00 176.35 174.10 2jmg n SER 9 N -3.75 0.82 -0.31 2.29 2.88 -1.26 -4.97 113.62 109.32 2jmg n SER 9 Ca 0.06 -2.40 0.14 0.00 -1.33 0.00 0.00 58.87 55.35 2jmg n SER 9 Cb 0.57 0.74 0.33 0.00 -0.75 0.00 0.00 64.21 65.10 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jmg h GLY 10 N 1.10 1.60 0.59 0.46 0.00 -1.98 0.30 103.07 105.13 2jmg h GLY 10 Ca -0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jmg h GLY 10 CO 0.30 -0.29 -0.40 -1.33 0.00 0.00 0.00 176.54 174.83 2jmg h GLY 11 N 0.40 -0.95 1.71 4.60 0.00 -2.01 -1.75 103.07 105.07 2jmg h GLY 11 Ca 0.58 0.46 -0.08 0.00 0.00 0.00 0.00 47.33 48.29 2jmg h GLY 11 CO -0.54 -0.32 -0.24 -2.09 0.00 0.00 0.00 176.54 173.35 2jmg h GLU 12 N -0.82 0.35 -0.95 4.80 4.57 -1.74 -2.87 114.58 117.91 2jmg h GLU 12 Ca -0.03 -0.12 0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2jmg h GLU 12 Cb 0.73 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.22 2jmg h GLU 12 CO -0.07 0.57 0.60 -0.07 -1.18 0.00 0.00 179.01 178.87 2jmg h LEU 13 N 0.31 0.94 -0.67 1.64 3.38 -0.07 -1.34 115.31 119.51 2jmg h LEU 13 Ca 0.05 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2jmg h LEU 13 Cb 0.60 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 2jmg h LEU 13 CO 0.04 0.58 0.12 0.44 0.09 0.00 0.00 178.44 179.71 2jmg h ASP 14 N 1.07 -0.07 -0.14 -0.43 3.32 -1.09 0.52 116.42 119.60 2jmg h ASP 14 Ca 0.43 0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.48 2jmg h ASP 14 Cb 0.23 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2jmg h ASP 14 CO -0.19 -0.05 -0.44 0.11 -1.72 0.00 0.00 179.24 176.95 2jmg h LYS 15 N 0.22 0.54 -0.92 3.56 6.56 -1.50 -1.96 116.57 123.07 2jmg h LYS 15 Ca 0.36 -0.40 0.15 0.00 -1.06 0.00 0.00 60.65 59.71 2jmg h LYS 15 Cb 0.60 0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 32.25 2jmg h LYS 15 CO -0.49 1.02 0.59 2.35 -2.06 0.00 0.00 179.45 180.86 2jmg h TRP 16 N 0.16 0.87 0.00 -1.35 2.91 -0.25 0.28 115.95 118.58 2jmg h TRP 16 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2jmg h TRP 16 Cb 1.06 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 2jmg h TRP 16 CO 0.10 0.30 -0.43 0.39 -1.03 0.00 0.00 178.44 177.78 2jmg n GLU 17 N -4.59 0.05 0.20 2.65 1.02 0.08 -3.66 120.64 116.38 2jmg n GLU 17 Ca 0.18 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.43 2jmg n GLU 17 Cb 0.48 -1.53 0.20 0.00 -0.02 0.00 0.00 31.44 30.57 2jmg n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jmg h LYS 18 N 0.00 0.00 -6.57 3.49 3.64 0.36 -3.41 116.57 114.08 2jmg h LYS 18 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 2jmg h LYS 18 Cb 0.54 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2jmg h LYS 18 CO 0.00 0.17 0.33 0.42 -2.27 0.00 0.00 179.45 178.10 2jmg s ILE 19 N -3.22 4.44 0.17 2.00 1.01 -0.97 -4.99 121.20 119.64 2jmg s ILE 19 Ca 0.05 2.02 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 2jmg s ILE 19 Cb 0.07 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 2jmg s ILE 19 CO 0.68 0.36 0.41 -0.13 0.00 0.00 0.00 174.94 176.26 2jmg s ARG 20 N -0.26 3.61 0.09 2.79 3.00 -1.26 -2.65 118.95 124.27 2jmg s ARG 20 Ca 0.45 -0.10 -0.10 0.00 0.00 0.00 0.00 55.73 55.98 2jmg s ARG 20 Cb -0.24 -2.81 -0.19 0.00 0.00 0.00 0.00 34.95 31.71 2jmg s ARG 20 CO 0.29 0.42 1.22 -0.07 0.00 0.00 0.00 175.30 177.16 2jmg h LEU 21 N 2.57 0.76 -9.65 2.53 3.38 -0.74 -0.97 115.31 113.19 2jmg h LEU 21 Ca -0.46 -0.63 -0.54 0.00 0.09 0.00 0.00 57.88 56.33 2jmg h LEU 21 Cb 1.17 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2jmg h LEU 21 CO 0.71 1.43 -0.61 -0.13 0.09 0.00 0.00 178.44 179.93 2jmg s ARG 22 N -3.22 2.45 0.11 1.13 0.52 -1.26 -3.99 118.95 114.69 2jmg s ARG 22 Ca -0.08 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 53.66 2jmg s ARG 22 Cb 0.07 -2.26 -0.07 0.00 0.52 0.00 0.00 34.95 33.21 2jmg s ARG 22 CO 0.90 0.36 1.44 -1.00 0.02 0.00 0.00 175.30 177.02 2jmg h PRO 23 N 1.77 0.79 -0.22 3.54 0.13 -1.93 -3.30 132.00 132.78 2jmg h PRO 23 Ca -0.45 -0.41 -0.15 0.00 -0.87 0.00 0.00 66.00 64.11 2jmg h PRO 23 Cb 1.25 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 2jmg h PRO 23 CO 0.61 1.04 -0.53 0.41 -0.23 0.00 0.00 178.00 179.30 2jmg n GLY 24 N 0.15 5.44 0.00 1.56 0.00 -1.26 -4.95 105.19 106.13 2jmg n GLY 24 Ca -0.03 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2jmg n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmg n GLY 25 N -1.02 3.62 0.00 -0.02 0.00 -1.24 -5.06 105.19 101.47 2jmg n GLY 25 Ca 0.26 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2jmg n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jmg n LYS 26 N -0.35 0.12 -2.69 1.61 5.02 -1.26 -4.90 118.16 115.71 2jmg n LYS 26 Ca 0.00 -0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 55.61 2jmg n LYS 26 Cb 0.00 -0.82 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 2jmg n LYS 26 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jmg s LYS 27 N -0.11 4.22 0.17 1.97 2.20 -1.26 -4.96 119.74 121.97 2jmg s LYS 27 Ca 0.00 1.31 0.03 0.00 -0.36 0.00 0.00 55.97 56.95 2jmg s LYS 27 Cb 0.00 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2jmg s LYS 27 CO 0.00 -0.06 0.12 1.04 -0.36 0.00 0.00 175.35 176.09 2jmg n GLN 28 N -0.27 0.32 -3.48 4.03 6.02 -1.26 -0.04 117.38 122.70 2jmg n GLN 28 Ca 0.06 -1.61 -0.30 0.00 -0.01 0.00 0.00 57.00 55.14 2jmg n GLN 28 Cb 0.52 1.21 -0.04 0.00 1.02 0.00 0.00 30.24 32.95 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2jmg s TYR 29 N -2.56 3.46 0.25 1.08 2.02 -1.08 -4.69 117.35 115.83 2jmg s TYR 29 Ca 0.17 0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 57.50 2jmg s TYR 29 Cb 0.01 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 2jmg s TYR 29 CO 0.12 0.28 0.25 0.15 -1.57 0.00 0.00 175.55 174.78 2jmg s LYS 30 N -3.14 1.45 0.50 -0.62 1.02 -1.26 -4.13 119.74 113.56 2jmg s LYS 30 Ca 0.43 -1.66 0.29 0.00 0.02 0.00 0.00 55.97 55.05 2jmg s LYS 30 Cb -0.11 0.33 1.40 0.00 -0.52 0.00 0.00 37.83 38.93 2jmg s LYS 30 CO 0.26 -0.53 1.84 -0.07 -0.92 0.00 0.00 175.35 175.94 2jmg h LEU 31 N 2.41 0.12 -0.83 3.17 3.38 -1.99 -0.31 115.31 121.26 2jmg h LEU 31 Ca -0.31 0.02 0.20 0.00 0.09 0.00 0.00 57.88 57.88 2jmg h LEU 31 Cb 1.25 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 2jmg h LEU 31 CO 0.45 0.03 0.21 0.11 0.09 0.00 0.00 178.44 179.34 2jmg h LYS 32 N 0.11 0.24 -0.05 1.13 1.57 -2.00 -0.71 116.57 116.85 2jmg h LYS 32 Ca 0.50 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.15 2jmg h LYS 32 Cb 1.77 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.04 2jmg h LYS 32 CO -0.07 0.16 -0.40 0.45 -0.57 0.00 0.00 179.45 179.02 2jmg h HIS 33 N 0.24 0.50 -0.75 -1.35 3.86 -1.46 -2.21 115.15 113.98 2jmg h HIS 33 Ca 0.50 -0.24 0.20 0.00 -1.16 0.00 0.00 60.37 59.67 2jmg h HIS 33 Cb 0.94 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 2jmg h HIS 33 CO -0.26 1.00 0.53 0.82 0.86 0.00 0.00 177.93 180.87 2jmg h ILE 34 N -0.14 0.67 0.01 2.45 2.04 -1.18 0.26 117.51 121.62 2jmg h ILE 34 Ca -0.03 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2jmg h ILE 34 Cb 1.07 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2jmg h ILE 34 CO 0.08 0.02 -0.15 0.58 0.00 0.00 0.00 178.15 178.68 2jmg h VAL 35 N 0.11 1.72 -0.90 1.67 2.07 -1.17 -2.91 116.25 116.84 2jmg h VAL 35 Ca 0.36 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.54 2jmg h VAL 35 Cb 1.27 3.31 -0.05 0.00 -1.52 0.00 0.00 31.29 34.31 2jmg h VAL 35 CO -0.05 0.60 0.60 -0.25 0.02 0.00 0.00 177.57 178.50 2jmg h TRP 36 N -0.94 1.12 0.48 1.57 7.01 -0.70 -1.79 115.95 122.70 2jmg h TRP 36 Ca -0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2jmg h TRP 36 Cb 1.08 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.77 2jmg h TRP 36 CO 0.26 0.68 -0.23 0.00 -2.79 0.00 0.00 178.44 176.37 2jmg h ALA 37 N 1.45 -0.64 -0.62 2.65 0.00 -0.64 0.33 119.26 121.78 2jmg h ALA 37 Ca 0.34 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.24 2jmg h ALA 37 Cb -0.08 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jmg h ALA 37 CO -0.09 -0.72 0.47 0.77 0.00 0.00 0.00 179.25 179.67 2jmg h SER 38 N -0.92 0.00 0.06 0.00 0.02 -1.37 -1.07 113.55 110.28 2jmg h SER 38 Ca -0.07 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 2jmg h SER 38 Cb 0.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jmg h SER 38 CO 0.11 0.00 -0.74 0.03 -1.14 0.00 0.00 176.83 175.09 2jmg h ARG 39 N 0.00 0.13 -0.19 3.45 3.08 -1.14 -3.29 114.38 116.42 2jmg h ARG 39 Ca 0.29 -0.23 0.05 0.00 0.07 0.00 0.00 59.98 60.17 2jmg h ARG 39 Cb 1.22 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 2jmg h ARG 39 CO -0.00 1.11 -0.20 1.49 -1.07 0.00 0.00 179.97 181.30 2jmg h GLU 40 N -0.68 -0.21 -0.98 0.04 4.57 0.66 -0.95 114.58 117.03 2jmg h GLU 40 Ca -0.16 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.22 2jmg h GLU 40 Cb 1.39 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.94 2jmg h GLU 40 CO 0.02 -0.14 0.61 -0.07 -1.18 0.00 0.00 179.01 178.25 2jmg h LEU 41 N -0.22 0.68 -2.08 1.64 3.38 -1.40 0.38 115.31 117.69 2jmg h LEU 41 Ca 0.12 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2jmg h LEU 41 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jmg h LEU 41 CO -0.32 0.25 0.16 -0.08 0.09 0.00 0.00 178.44 178.54 2jmg h GLU 42 N 0.67 0.00 0.00 1.13 4.81 -0.87 0.19 114.58 120.50 2jmg h GLU 42 Ca 0.55 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.75 2jmg h GLU 42 Cb 0.98 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 2jmg h GLU 42 CO -0.32 0.00 -1.06 0.00 -0.73 0.00 0.00 179.01 176.90 2jmg h ARG 43 N 0.00 0.00 -1.05 1.92 2.47 -0.17 -3.34 114.38 114.21 2jmg h ARG 43 Ca 0.10 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.42 2jmg h ARG 43 Cb 0.41 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.51 2jmg h ARG 43 CO -0.00 0.05 0.50 1.19 0.56 0.00 0.00 179.97 182.27 2jmg n PHE 44 N -2.72 2.23 -1.73 3.04 3.01 0.00 -4.84 117.46 116.45 2jmg n PHE 44 Ca -0.01 -1.65 -0.13 0.00 1.01 0.00 0.00 57.45 56.67 2jmg n PHE 44 Cb 0.60 -0.83 -0.04 0.00 -0.01 0.00 0.00 39.48 39.20 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jmg n ALA 45 N -0.60 -0.39 -3.77 4.37 0.00 -1.15 -4.92 120.51 114.06 2jmg n ALA 45 Ca 0.43 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.71 2jmg n ALA 45 Cb 1.21 -1.42 -0.16 0.00 0.00 0.00 0.00 19.45 19.08 2jmg n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmg s VAL 46 N -2.27 2.41 0.26 0.00 1.01 0.44 -5.03 120.40 117.21 2jmg s VAL 46 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2jmg s VAL 46 Cb 0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.27 2jmg s VAL 46 CO 0.00 0.52 1.33 0.20 0.00 0.00 0.00 175.10 177.14 2jmg s ASN 47 N 1.10 6.82 0.00 3.32 0.01 -1.26 -2.52 114.94 122.41 2jmg s ASN 47 Ca 0.00 2.55 0.15 0.00 -0.71 0.00 0.00 52.86 54.85 2jmg s ASN 47 Cb -0.14 -2.63 0.77 0.00 0.41 0.00 0.00 41.25 39.66 2jmg s ASN 47 CO -0.06 -0.55 1.40 -0.81 -1.51 0.00 0.00 177.10 175.57 2jmg n PRO 48 N 1.88 0.24 0.00 -0.60 -0.04 -1.26 -2.85 135.00 132.37 2jmg n PRO 48 Ca 0.04 0.13 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 2jmg n PRO 48 Cb 0.42 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.55 2jmg n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jmg n GLY 49 N -0.03 -0.92 0.09 0.55 0.00 -1.26 -2.98 105.19 100.65 2jmg n GLY 49 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2jmg n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmg n LEU 50 N -0.60 0.77 0.00 0.99 4.77 -1.13 -3.74 117.00 118.06 2jmg n LEU 50 Ca 0.04 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 2jmg n LEU 50 Cb 0.02 -0.09 0.66 0.00 -2.33 0.00 0.00 43.42 41.68 2jmg n LEU 50 CO 0.03 -0.13 0.93 0.18 -1.33 0.00 0.00 177.39 177.07 2jmg n LEU 51 N -2.47 0.00 -2.59 2.23 4.77 -1.16 -2.87 117.00 114.91 2jmg n LEU 51 Ca 0.01 0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 2jmg n LEU 51 Cb 0.51 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2jmg n LEU 51 CO 0.39 -0.04 1.27 -1.84 -1.33 0.00 0.00 177.39 175.84 2jmg n GLU 52 N -1.25 2.87 -3.41 3.23 0.28 -1.25 -4.88 120.64 116.24 2jmg n GLU 52 Ca 0.13 -3.60 0.03 0.00 -0.16 0.00 0.00 57.16 53.56 2jmg n GLU 52 Cb 0.19 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.73 2jmg n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2jmg s THR 53 N -5.00 -0.06 0.36 3.84 -1.32 -1.23 -4.98 115.64 107.25 2jmg s THR 53 Ca 0.56 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.15 2jmg s THR 53 Cb 0.46 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.78 2jmg s THR 53 CO -0.21 0.00 1.83 0.28 -2.21 0.00 0.00 174.62 174.31 2jmg h SER 54 N 6.27 0.62 1.10 8.08 0.02 -1.90 0.30 113.55 128.04 2jmg h SER 54 Ca -0.19 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 2jmg h SER 54 Cb 1.14 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2jmg h SER 54 CO 0.14 0.26 -0.54 -0.08 -1.14 0.00 0.00 176.83 175.47 2jmg h GLU 55 N 0.62 0.00 -0.24 3.45 4.81 -1.95 -3.25 114.58 118.02 2jmg h GLU 55 Ca 0.50 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.65 2jmg h GLU 55 Cb 0.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2jmg h GLU 55 CO -0.25 0.54 -0.16 0.78 -0.73 0.00 0.00 179.01 179.19 2jmg h GLY 56 N 2.74 0.58 0.65 1.92 0.00 -0.60 -2.75 103.07 105.61 2jmg h GLY 56 Ca -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2jmg h GLY 56 CO 0.07 0.50 -0.38 0.00 0.00 0.00 0.00 176.54 176.73 2jmg h ARG 58 N -0.96 0.39 -0.89 0.00 1.12 -1.66 0.36 114.38 112.75 2jmg h ARG 58 Ca -0.09 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 2jmg h ARG 58 Cb 0.76 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.59 2jmg h ARG 58 CO 0.10 0.26 0.57 0.37 -3.11 0.00 0.00 179.97 178.16 2jmg h GLN 59 N 0.41 1.18 -0.18 0.20 -0.00 -1.20 -2.15 115.11 113.37 2jmg h GLN 59 Ca 0.62 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 59.18 2jmg h GLN 59 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 27.48 28.47 2jmg h GLN 59 CO -0.55 0.80 0.09 0.82 0.00 0.00 0.00 178.83 179.99 2jmg h ILE 60 N 1.21 1.12 -0.66 2.39 2.04 0.54 -2.61 117.51 121.54 2jmg h ILE 60 Ca 0.32 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2jmg h ILE 60 Cb -0.11 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2jmg h ILE 60 CO -0.07 0.12 0.44 -0.07 0.00 0.00 0.00 178.15 178.57 2jmg h LEU 61 N 0.16 0.61 -1.31 1.44 3.38 -1.10 -1.46 115.31 117.03 2jmg h LEU 61 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jmg h LEU 61 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2jmg h LEU 61 CO -0.01 0.40 0.21 1.23 0.09 0.00 0.00 178.44 180.36 2jmg h GLY 62 N 0.69 0.73 1.34 0.83 0.00 -1.01 0.39 103.07 106.04 2jmg h GLY 62 Ca 0.28 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 2jmg h GLY 62 CO -0.09 0.33 -0.26 1.46 0.00 0.00 0.00 176.54 177.98 2jmg h GLN 63 N 0.68 0.75 0.00 4.80 1.08 -1.11 -2.88 115.11 118.43 2jmg h GLN 63 Ca 0.17 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2jmg h GLN 63 Cb 0.11 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2jmg h GLN 63 CO -0.02 0.93 -0.51 -0.07 -0.95 0.00 0.00 178.83 178.21 2jmg h LEU 64 N 0.65 0.00 -0.14 1.46 3.38 -1.27 -3.37 115.31 116.02 2jmg h LEU 64 Ca 0.08 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jmg h LEU 64 Cb 0.77 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2jmg h LEU 64 CO 0.06 0.03 -0.53 1.56 0.09 0.00 0.00 178.44 179.66 2jmg h GLN 65 N 0.00 -0.55 0.00 1.13 1.08 -0.01 0.50 115.11 117.25 2jmg h GLN 65 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2jmg h GLN 65 Cb 0.88 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2jmg h GLN 65 CO 0.00 -0.37 0.00 -0.35 -0.95 0.00 0.00 178.83 177.16 2jmg n PRO 66 N -5.44 0.30 -0.00 1.46 -0.04 -1.25 -1.91 135.00 128.12 2jmg n PRO 66 Ca -0.06 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2jmg n PRO 66 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 2jmg n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jmg n SER 67 N -1.19 0.77 0.22 3.54 2.88 0.66 -4.42 113.62 116.07 2jmg n SER 67 Ca 0.08 -0.76 0.15 0.00 -1.33 0.00 0.00 58.87 57.01 2jmg n SER 67 Cb 0.10 1.06 0.81 0.00 -0.75 0.00 0.00 64.21 65.43 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jmg h LEU 68 N 0.00 0.00 -0.61 2.46 3.38 0.53 0.15 115.31 121.22 2jmg h LEU 68 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jmg h LEU 68 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jmg h LEU 68 CO 0.00 0.00 0.23 -0.61 0.09 0.00 0.00 178.44 178.15 2jmg h GLN 69 N 0.00 0.92 -1.32 1.13 4.15 -1.77 -3.30 115.11 114.92 2jmg h GLN 69 Ca 0.06 -0.18 -0.46 0.00 0.77 0.00 0.00 58.65 58.84 2jmg h GLN 69 Cb 0.31 -0.14 -0.41 0.00 0.21 0.00 0.00 27.48 27.45 2jmg h GLN 69 CO -0.00 0.79 -1.00 0.25 -1.93 0.00 0.00 178.83 176.94 2jmg n THR 70 N -4.44 1.51 -4.06 2.39 -2.24 -0.54 -5.08 114.28 101.82 2jmg n THR 70 Ca 0.04 -3.96 -0.36 0.00 -2.27 0.00 0.00 64.05 57.50 2jmg n THR 70 Cb 0.18 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.13 2jmg n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jmg s GLY 71 N -3.24 1.99 1.16 3.38 0.00 0.42 -5.02 107.32 106.01 2jmg s GLY 71 Ca 0.37 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 2jmg s GLY 71 CO -0.06 -0.31 1.07 -1.35 0.00 0.00 0.00 173.10 172.46 2jmg s SER 72 N -0.57 1.20 0.59 1.64 1.04 -1.26 -4.63 113.70 111.71 2jmg s SER 72 Ca 0.11 0.92 0.28 0.00 0.48 0.00 0.00 55.95 57.74 2jmg s SER 72 Cb -0.12 -1.38 1.63 0.00 0.10 0.00 0.00 66.02 66.26 2jmg s SER 72 CO 0.02 -3.98 2.09 -0.33 0.98 0.00 0.00 173.24 172.02 2jmg h GLU 73 N -2.48 0.00 0.24 4.02 5.08 -1.99 -1.61 114.58 117.85 2jmg h GLU 73 Ca -0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2jmg h GLU 73 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jmg h GLU 73 CO 0.43 0.00 -0.12 0.93 -1.00 0.00 0.00 179.01 179.26 2jmg h GLU 74 N 0.00 -0.31 -0.49 2.33 5.08 -2.00 -2.66 114.58 116.52 2jmg h GLU 74 Ca 0.10 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2jmg h GLU 74 Cb 0.52 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2jmg h GLU 74 CO -0.00 0.02 0.19 1.25 -1.00 0.00 0.00 179.01 179.47 2jmg h LEU 75 N -0.94 0.21 -0.56 1.33 6.46 -1.77 -2.00 115.31 118.04 2jmg h LEU 75 Ca -0.03 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 2jmg h LEU 75 Cb 0.48 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 2jmg h LEU 75 CO 0.05 0.15 0.25 -0.09 -0.62 0.00 0.00 178.44 178.19 2jmg h ARG 76 N 0.37 0.46 -0.09 1.25 2.43 -1.41 -2.29 114.38 115.11 2jmg h ARG 76 Ca 0.23 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2jmg h ARG 76 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2jmg h ARG 76 CO -0.22 0.30 -0.10 0.77 -1.51 0.00 0.00 179.97 179.21 2jmg h SER 77 N 0.47 -0.31 -0.25 -3.80 0.02 -1.01 -2.28 113.55 106.40 2jmg h SER 77 Ca 0.26 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2jmg h SER 77 Cb 0.24 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 2jmg h SER 77 CO -0.22 -0.14 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.01 2jmg h LEU 78 N -0.13 -0.80 -0.64 5.07 -0.00 -0.95 0.11 115.31 117.98 2jmg h LEU 78 Ca 0.07 0.14 0.13 0.00 -0.00 0.00 0.00 57.88 58.22 2jmg h LEU 78 Cb 0.23 0.38 -0.10 0.00 -0.00 0.00 0.00 40.66 41.17 2jmg h LEU 78 CO -0.17 -0.28 0.09 0.22 -0.00 0.00 0.00 178.44 178.30 2jmg h TYR 79 N -0.25 0.12 0.00 1.13 3.20 -1.12 0.51 116.97 120.55 2jmg h TYR 79 Ca 0.14 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2jmg h TYR 79 Cb 0.47 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2jmg h TYR 79 CO -0.40 -0.10 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.02 2jmg h ASN 80 N 0.20 0.00 0.00 -2.11 2.35 -0.72 -2.47 115.58 112.84 2jmg h ASN 80 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2jmg h ASN 80 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2jmg h ASN 80 CO -0.48 0.09 -0.02 0.74 -1.65 0.00 0.00 177.43 176.11 2jmg h THR 81 N 0.00 0.00 -1.10 2.81 2.02 0.24 -3.28 112.91 113.60 2jmg h THR 81 Ca -0.00 -0.22 0.30 0.00 0.77 0.00 0.00 66.41 67.26 2jmg h THR 81 Cb 0.53 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 2jmg h THR 81 CO 0.01 0.00 0.73 0.40 0.37 0.00 0.00 175.52 177.03 2jmg h ILE 82 N -0.22 0.45 -0.53 3.11 2.04 -0.65 0.56 117.51 122.27 2jmg h ILE 82 Ca 0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jmg h ILE 82 Cb 0.02 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 2jmg h ILE 82 CO 0.00 0.05 0.32 0.00 0.00 0.00 0.00 178.15 178.52 2jmg h ALA 83 N 1.58 1.56 0.00 1.87 0.00 -1.59 0.66 119.26 123.34 2jmg h ALA 83 Ca 0.62 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.29 2jmg h ALA 83 Cb 1.78 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2jmg h ALA 83 CO -0.26 0.38 -0.81 0.28 0.00 0.00 0.00 179.25 178.85 2jmg h VAL 84 N 0.73 1.43 -0.01 0.00 2.07 0.05 -3.31 116.25 117.21 2jmg h VAL 84 Ca 0.19 -2.93 -0.06 0.00 0.82 0.00 0.00 66.70 64.72 2jmg h VAL 84 Cb -0.03 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2jmg h VAL 84 CO -0.04 0.80 -0.22 0.25 0.02 0.00 0.00 177.57 178.38 2jmg h LEU 85 N 0.00 0.21 -1.26 2.57 5.85 -0.64 -3.25 115.31 118.80 2jmg h LEU 85 Ca -0.01 -0.74 0.30 0.00 0.84 0.00 0.00 57.88 58.27 2jmg h LEU 85 Cb 1.58 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.44 2jmg h LEU 85 CO 0.11 0.92 0.67 0.22 -0.34 0.00 0.00 178.44 180.02 2jmg h TYR 86 N -0.48 0.73 -0.66 1.25 3.20 -1.00 0.36 116.97 120.37 2jmg h TYR 86 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jmg h TYR 86 Cb 0.95 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 2jmg h TYR 86 CO 0.17 -0.02 0.36 0.00 -1.64 0.00 0.00 178.16 177.04 2jmg h VAL 88 N 0.91 0.00 -0.15 0.00 2.07 -0.28 0.76 116.25 119.57 2jmg h VAL 88 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 2jmg h VAL 88 Cb 0.04 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2jmg h VAL 88 CO -0.04 0.00 0.25 0.45 0.02 0.00 0.00 177.57 178.25 2jmg h HIS 89 N -0.24 0.00 -0.26 1.57 -0.00 -1.55 0.37 115.15 115.03 2jmg h HIS 89 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2jmg h HIS 89 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2jmg h HIS 89 CO -0.14 0.00 0.00 0.94 -0.00 0.00 0.00 177.93 178.73 2jmg n GLN 90 N -3.45 1.69 -0.56 2.45 -0.06 -0.65 -4.87 117.38 111.93 2jmg n GLN 90 Ca 0.01 -1.06 0.00 0.00 -2.00 0.00 0.00 57.00 53.95 2jmg n GLN 90 Cb 0.35 -1.28 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2jmg n ARG 91 N 0.33 0.00 -2.53 3.69 0.63 0.13 -4.98 116.66 113.93 2jmg n ARG 91 Ca 0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 2jmg n ARG 91 Cb 0.27 -2.70 -0.04 0.00 0.45 0.00 0.00 32.46 30.44 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2jmg s ILE 92 N -2.97 3.97 -0.42 5.15 1.01 0.26 -4.95 121.20 123.24 2jmg s ILE 92 Ca 0.00 1.66 0.05 0.00 0.00 0.00 0.00 60.65 62.36 2jmg s ILE 92 Cb 0.00 -4.06 0.43 0.00 0.01 0.00 0.00 42.46 38.84 2jmg s ILE 92 CO 0.00 0.27 1.21 -0.67 0.00 0.00 0.00 174.94 175.74 2jmg n ASP 93 N 2.57 5.00 -1.32 3.58 -0.08 -1.26 -3.33 116.55 121.70 2jmg n ASP 93 Ca 0.03 -3.74 -0.16 0.00 -1.51 0.00 0.00 54.79 49.41 2jmg n ASP 93 Cb 0.47 -0.47 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2jmg n ASP 93 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2jmg n VAL 94 N -0.56 0.25 0.30 5.18 0.24 -1.26 -4.72 118.33 117.75 2jmg n VAL 94 Ca 0.42 -0.06 0.15 0.00 -2.04 0.00 0.00 64.34 62.81 2jmg n VAL 94 Cb 0.73 0.00 0.71 0.00 -1.47 0.00 0.00 33.84 33.82 2jmg n VAL 94 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2jmg h LYS 95 N 0.64 0.00 -2.19 7.34 1.57 -1.96 -3.44 116.57 118.54 2jmg h LYS 95 Ca -0.12 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.90 2jmg h LYS 95 Cb 0.43 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 2jmg h LYS 95 CO 0.18 0.00 0.71 0.16 -0.57 0.00 0.00 179.45 179.93 2jmg s ASP 96 N -4.77 -0.03 0.18 0.86 1.47 -1.26 -4.28 116.67 108.84 2jmg s ASP 96 Ca 0.00 -0.40 0.21 0.00 1.18 0.00 0.00 52.55 53.53 2jmg s ASP 96 Cb 0.09 0.33 0.87 0.00 -0.34 0.00 0.00 42.92 43.87 2jmg s ASP 96 CO 0.39 -0.65 1.63 0.41 0.68 0.00 0.00 175.17 177.63 2jmg n THR 97 N -0.69 0.89 0.04 2.11 -1.04 -0.37 -2.79 114.28 112.43 2jmg n THR 97 Ca -0.03 0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 62.11 2jmg n THR 97 Cb 0.60 -1.12 -0.08 0.00 -1.82 0.00 0.00 70.33 67.91 2jmg n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jmg h LYS 98 N 0.00 -0.18 0.00 -2.82 1.63 -1.86 -1.08 116.57 112.26 2jmg h LYS 98 Ca 0.00 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2jmg h LYS 98 Cb 0.32 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2jmg h LYS 98 CO 0.00 0.28 -0.11 1.49 -3.45 0.00 0.00 179.45 177.66 2jmg h GLU 99 N -0.79 0.00 0.09 1.90 4.57 -1.95 -2.73 114.58 115.67 2jmg h GLU 99 Ca -0.02 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 2jmg h GLU 99 Cb 0.54 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2jmg h GLU 99 CO 0.03 0.11 -0.66 0.00 -1.18 0.00 0.00 179.01 177.31 2jmg h ALA 100 N 1.89 -0.04 -0.90 2.92 0.00 -1.52 -2.92 119.26 118.69 2jmg h ALA 100 Ca -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jmg h ALA 100 Cb 0.51 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2jmg h ALA 100 CO 0.01 0.32 0.55 1.25 0.00 0.00 0.00 179.25 181.38 2jmg h LEU 101 N -0.37 1.07 0.00 0.00 7.12 -1.07 -1.43 115.31 120.64 2jmg h LEU 101 Ca -0.11 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.84 2jmg h LEU 101 Cb 1.48 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2jmg h LEU 101 CO 0.13 0.82 0.00 0.47 -0.13 0.00 0.00 178.44 179.72 2jmg n ASP 102 N -4.36 0.00 -0.47 1.25 9.92 -1.04 -0.73 116.55 121.12 2jmg n ASP 102 Ca 0.10 0.71 0.38 0.00 -0.53 0.00 0.00 54.79 55.45 2jmg n ASP 102 Cb 0.05 -0.38 0.67 0.00 -0.64 0.00 0.00 41.12 40.83 2jmg n ASP 102 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2jmg h LYS 103 N 0.00 0.08 0.14 -1.24 1.63 -1.57 0.36 116.57 115.97 2jmg h LYS 103 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2jmg h LYS 103 Cb 0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2jmg h LYS 103 CO 0.00 0.05 -0.07 0.82 -3.45 0.00 0.00 179.45 176.80 2jmg h ILE 104 N 0.08 0.99 -0.47 2.00 1.08 -1.25 -2.55 117.51 117.38 2jmg h ILE 104 Ca 0.82 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2jmg h ILE 104 Cb 2.67 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 38.01 2jmg h ILE 104 CO -0.35 0.24 0.30 -0.08 -0.69 0.00 0.00 178.15 177.56 2jmg h GLU 105 N -0.76 0.63 -0.15 2.37 4.22 0.17 -2.55 114.58 118.51 2jmg h GLU 105 Ca -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 2jmg h GLU 105 Cb 0.53 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jmg h GLU 105 CO 0.03 0.43 0.04 1.49 -2.18 0.00 0.00 179.01 178.82 2jmg h GLU 106 N 0.64 0.23 -0.32 1.92 4.22 -0.50 0.25 114.58 121.03 2jmg h GLU 106 Ca 0.17 -0.05 0.09 0.00 0.08 0.00 0.00 59.36 59.65 2jmg h GLU 106 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2jmg h GLU 106 CO -0.04 0.37 0.25 0.93 -2.18 0.00 0.00 179.01 178.34 2jmg h GLU 107 N 0.05 0.00 -0.22 1.92 4.39 -1.04 0.19 114.58 119.87 2jmg h GLU 107 Ca 0.05 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2jmg h GLU 107 Cb 0.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2jmg h GLU 107 CO -0.00 0.00 -0.04 0.94 -1.16 0.00 0.00 179.01 178.75 2jmg n GLN 108 N -4.26 2.26 -0.00 2.33 -0.06 -0.98 -4.63 117.38 112.04 2jmg n GLN 108 Ca 0.05 -2.89 -0.11 0.00 -2.00 0.00 0.00 57.00 52.05 2jmg n GLN 108 Cb 0.42 -1.76 0.03 0.00 -4.06 0.00 0.00 30.24 24.87 2jmg n GLN 108 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 2jmg h ASN 109 N 1.19 0.68 -0.16 1.69 -1.24 0.16 -3.04 115.58 114.87 2jmg h ASN 109 Ca 0.05 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 56.68 2jmg h ASN 109 Cb 1.38 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 2jmg h ASN 109 CO 0.21 1.12 0.10 0.11 -1.29 0.00 0.00 177.43 177.68 2jmg h LYS 110 N 0.46 0.23 -0.52 6.67 1.57 -1.82 -1.83 116.57 121.33 2jmg h LYS 110 Ca -0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2jmg h LYS 110 Cb 1.16 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 2jmg h LYS 110 CO 0.11 0.17 -0.02 1.03 -0.57 0.00 0.00 179.45 180.17 2jmg h SER 111 N 0.23 0.86 -0.30 0.86 0.87 -1.87 -2.69 113.55 111.52 2jmg h SER 111 Ca 0.06 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.35 2jmg h SER 111 Cb 0.00 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2jmg h SER 111 CO -0.01 0.94 0.06 0.50 -0.53 0.00 0.00 176.83 177.79 2jmg h LYS 112 N 0.82 0.59 -0.39 2.24 3.11 -1.37 -2.28 116.57 119.28 2jmg h LYS 112 Ca 0.15 -0.11 -0.06 0.00 -2.81 0.00 0.00 60.65 57.82 2jmg h LYS 112 Cb 0.52 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 2jmg h LYS 112 CO 0.03 0.56 -0.01 -0.22 -2.81 0.00 0.00 179.45 177.00 2jmg h LYS 113 N 0.57 0.62 -0.14 1.90 3.64 -1.34 -2.44 116.57 119.38 2jmg h LYS 113 Ca 0.13 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2jmg h LYS 113 Cb 0.27 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2jmg h LYS 113 CO 0.00 0.65 -0.48 -0.22 -2.27 0.00 0.00 179.45 177.13 2jmg h LYS 114 N 0.59 0.36 -0.86 1.90 1.63 -1.30 -2.85 116.57 116.05 2jmg h LYS 114 Ca 0.12 -0.20 -0.23 0.00 -0.85 0.00 0.00 60.65 59.49 2jmg h LYS 114 Cb 0.40 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 31.90 2jmg h LYS 114 CO 0.02 0.77 0.29 0.00 -3.45 0.00 0.00 179.45 177.08 2jmg n ALA 115 N -2.49 4.34 0.04 5.00 0.00 -0.97 -4.22 120.51 122.21 2jmg n ALA 115 Ca -0.02 -1.92 -0.08 0.00 0.00 0.00 0.00 53.44 51.41 2jmg n ALA 115 Cb 0.54 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 2jmg n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jmg h GLN 116 N 1.79 0.03 0.00 0.00 -0.00 -1.20 -3.29 115.11 112.44 2jmg h GLN 116 Ca 0.28 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.83 2jmg h GLN 116 Cb 2.12 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 29.60 2jmg h GLN 116 CO 0.66 0.86 -0.30 -0.56 0.00 0.00 0.00 178.83 179.49 2jmg h GLN 117 N 0.01 0.00 0.09 1.69 3.07 -1.79 -3.14 115.11 115.04 2jmg h GLN 117 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 2jmg h GLN 117 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.43 2jmg h GLN 117 CO 0.12 0.30 -0.04 0.00 0.09 0.00 0.00 178.83 179.29 2jmg h ALA 118 N 1.70 -0.12 -0.43 0.06 0.00 -1.86 -3.29 119.26 115.32 2jmg h ALA 118 Ca -0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.12 2jmg h ALA 118 Cb 0.62 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.33 2jmg h ALA 118 CO 0.04 -0.31 1.24 0.00 0.00 0.00 0.00 179.25 180.23 2jmg n ALA 119 N -2.43 6.67 -2.59 0.00 0.00 -1.19 -3.95 120.51 117.02 2jmg n ALA 119 Ca -0.08 -3.23 -0.02 0.00 0.00 0.00 0.00 53.44 50.11 2jmg n ALA 119 Cb 0.26 -2.49 0.04 0.00 0.00 0.00 0.00 19.45 17.26 2jmg n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n ALA 120 N 1.66 -0.44 -2.74 0.00 0.00 -1.24 -4.99 120.51 112.76 2jmg n ALA 120 Ca 0.55 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 2jmg n ALA 120 Cb 0.48 -0.71 0.06 0.00 0.00 0.00 0.00 19.45 19.28 2jmg n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmg n ASP 121 N -0.57 0.78 -4.29 0.00 2.03 -1.25 -4.97 116.55 108.26 2jmg n ASP 121 Ca -0.10 -2.35 -0.30 0.00 0.52 0.00 0.00 54.79 52.57 2jmg n ASP 121 Cb 0.66 -0.19 0.17 0.00 -0.72 0.00 0.00 41.12 41.03 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2jmg s THR 122 N -2.65 1.98 -0.49 5.18 -4.23 -1.26 -5.06 115.64 109.12 2jmg s THR 122 Ca 0.24 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2jmg s THR 122 Cb 0.40 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 71.47 2jmg s THR 122 CO -0.03 0.00 0.48 0.61 -0.54 0.00 0.00 174.62 175.14 2jmg n GLY 123 N -3.53 3.04 2.50 3.99 0.00 -1.26 -4.99 105.19 104.94 2jmg n GLY 123 Ca 0.13 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 2jmg n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jmg n ASN 124 N 1.99 7.86 0.30 1.61 4.13 -1.26 -4.76 115.26 125.14 2jmg n ASN 124 Ca 0.26 -3.12 -0.16 0.00 1.68 0.00 0.00 54.58 53.24 2jmg n ASN 124 Cb 0.46 -1.38 -0.09 0.00 -1.54 0.00 0.00 39.78 37.24 2jmg n ASN 124 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2jmg h ASN 125 N 4.70 -1.15 -3.48 6.41 -1.24 -2.06 -3.37 115.58 115.39 2jmg h ASN 125 Ca 0.69 0.08 -0.71 0.00 0.71 0.00 0.00 56.30 57.06 2jmg h ASN 125 Cb 0.33 0.36 -0.32 0.00 0.73 0.00 0.00 38.32 39.42 2jmg h ASN 125 CO 1.50 -0.61 -0.42 -0.55 -1.29 0.00 0.00 177.43 176.06 2jmg s SER 126 N -3.97 5.54 0.45 1.15 0.15 -1.26 -5.08 113.70 110.68 2jmg s SER 126 Ca -0.16 -2.10 0.03 0.00 0.70 0.00 0.00 55.95 54.43 2jmg s SER 126 Cb 0.03 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.41 2jmg s SER 126 CO 0.51 -0.60 0.64 0.00 1.20 0.00 0.00 173.24 175.00 2jmg s GLN 127 N 1.07 2.86 0.32 5.44 -2.07 -1.26 -5.13 119.66 120.89 2jmg s GLN 127 Ca 0.08 -0.84 0.10 0.00 -1.82 0.00 0.00 55.36 52.88 2jmg s GLN 127 Cb -0.24 -2.63 -0.06 0.00 -1.09 0.00 0.00 33.01 28.99 2jmg s GLN 127 CO -0.03 -0.35 -0.12 0.14 -1.32 0.00 0.00 175.29 173.61 2jmg s VAL 128 N -2.50 2.26 -0.34 3.63 -7.23 -1.26 -5.12 120.40 109.84 2jmg s VAL 128 Ca 0.52 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2jmg s VAL 128 Cb -0.10 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 34.41 2jmg s VAL 128 CO 0.36 -0.27 0.06 -0.44 -0.31 0.00 0.00 175.10 174.50 2jmg s SER 129 N -3.57 4.65 0.03 4.85 0.01 -1.26 -5.09 113.70 113.32 2jmg s SER 129 Ca 0.31 -2.11 0.03 0.00 1.31 0.00 0.00 55.95 55.50 2jmg s SER 129 Cb 0.00 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 2jmg s SER 129 CO 0.16 -0.38 -0.09 0.00 0.41 0.00 0.00 173.24 173.33 2jmg s GLN 130 N 0.97 0.62 -0.09 12.44 -2.07 -1.26 -5.15 119.66 125.13 2jmg s GLN 130 Ca 0.11 -0.62 0.04 0.00 -1.82 0.00 0.00 55.36 53.06 2jmg s GLN 130 Cb -0.19 -0.52 0.00 0.00 -1.09 0.00 0.00 33.01 31.21 2jmg s GLN 130 CO -0.10 0.12 -0.20 1.21 -1.32 0.00 0.00 175.29 175.00 2jmg s ASN 131 N -1.10 2.66 0.00 12.60 3.84 -1.26 -5.35 114.94 126.34 2jmg s ASN 131 Ca -0.03 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.56 2jmg s ASN 131 Cb -0.07 -1.19 0.00 0.00 -0.55 0.00 0.00 41.25 39.43 2jmg s ASN 131 CO 0.01 0.12 0.04 -1.22 -2.79 0.00 0.00 177.10 173.26