#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmg n ALA 3 N 0.00 3.53 -3.17 4.61 0.00 -1.26 -4.99 120.51 119.23 2jmg n ALA 3 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2jmg n ALA 3 Cb 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 2jmg n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jmg s ARG 4 N -2.49 2.07 0.13 0.00 0.52 -1.26 -5.18 118.95 112.75 2jmg s ARG 4 Ca 0.19 -1.71 -0.02 0.00 -0.52 0.00 0.00 55.73 53.66 2jmg s ARG 4 Cb 0.18 0.50 0.03 0.00 0.52 0.00 0.00 34.95 36.19 2jmg s ARG 4 CO 0.57 -0.90 0.15 0.00 0.02 0.00 0.00 175.30 175.14 2jmg n ALA 5 N -0.58 -0.29 -0.55 2.13 0.00 -1.26 -5.02 120.51 114.94 2jmg n ALA 5 Ca -0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 2jmg n ALA 5 Cb 0.61 -0.01 0.20 0.00 0.00 0.00 0.00 19.45 20.25 2jmg n ALA 5 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jmg n SER 6 N -3.16 -2.63 -0.11 0.00 3.41 -1.26 -4.99 113.62 104.89 2jmg n SER 6 Ca 0.02 -0.29 -0.18 0.00 -0.26 0.00 0.00 58.87 58.17 2jmg n SER 6 Cb 0.07 -0.97 -0.09 0.00 -0.26 0.00 0.00 64.21 62.96 2jmg n SER 6 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jmg n ARG 7 N -2.98 0.50 -2.08 4.33 5.12 -1.26 -4.97 116.66 115.32 2jmg n ARG 7 Ca 0.03 0.15 -0.42 0.00 -1.93 0.00 0.00 57.85 55.69 2jmg n ARG 7 Cb 0.56 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.46 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jmg s LEU 8 N -6.56 4.39 0.00 0.55 1.43 -1.26 -5.02 118.68 112.21 2jmg s LEU 8 Ca -0.29 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 55.36 2jmg s LEU 8 Cb 0.09 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.72 2jmg s LEU 8 CO 0.44 -0.67 0.19 -0.24 0.23 0.00 0.00 176.35 176.31 2jmg n SER 9 N 2.97 2.12 -0.32 2.29 2.88 -1.26 -4.87 113.62 117.42 2jmg n SER 9 Ca 0.09 -2.09 0.18 0.00 -1.33 0.00 0.00 58.87 55.71 2jmg n SER 9 Cb 0.41 0.02 0.38 0.00 -0.75 0.00 0.00 64.21 64.26 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 0.42 1.74 0.92 0.46 0.00 -1.97 0.38 103.07 105.02 2jmg h GLY 10 Ca -0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2jmg h GLY 10 CO 0.32 -0.38 -0.31 -1.33 0.00 0.00 0.00 176.54 174.84 2jmg h GLY 11 N 0.34 -0.85 2.00 4.60 0.00 -2.01 -2.61 103.07 104.54 2jmg h GLY 11 Ca 0.64 0.34 -0.05 0.00 0.00 0.00 0.00 47.33 48.26 2jmg h GLY 11 CO -0.59 -0.31 -0.24 -2.09 0.00 0.00 0.00 176.54 173.31 2jmg h GLU 12 N -0.81 0.00 0.00 4.80 4.22 -1.63 -2.48 114.58 118.68 2jmg h GLU 12 Ca -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.35 2jmg h GLU 12 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2jmg h GLU 12 CO 0.09 0.24 -0.10 1.25 -2.18 0.00 0.00 179.01 178.31 2jmg h LEU 13 N 0.00 0.00 -0.77 1.64 5.85 0.06 -1.88 115.31 120.21 2jmg h LEU 13 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jmg h LEU 13 Cb 0.55 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2jmg h LEU 13 CO 0.03 0.10 0.49 -0.78 -0.34 0.00 0.00 178.44 177.94 2jmg h ASP 14 N 0.00 0.90 0.15 1.25 3.58 -1.12 -0.67 116.42 120.52 2jmg h ASP 14 Ca -0.00 -0.04 -0.30 0.00 0.42 0.00 0.00 57.03 57.10 2jmg h ASP 14 Cb 0.20 -0.23 0.03 0.00 1.72 0.00 0.00 39.33 41.05 2jmg h ASP 14 CO 0.01 0.67 -1.28 0.11 -2.88 0.00 0.00 179.24 175.88 2jmg h LYS 15 N 1.05 0.61 -0.92 0.28 1.57 -1.57 -2.66 116.57 114.92 2jmg h LYS 15 Ca 0.28 -0.85 0.04 0.00 -1.87 0.00 0.00 60.65 58.25 2jmg h LYS 15 Cb -0.09 0.29 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2jmg h LYS 15 CO -0.06 1.39 0.60 2.35 -0.57 0.00 0.00 179.45 183.16 2jmg h TRP 16 N 0.23 1.10 -0.00 -1.35 -0.00 -1.16 -0.21 115.95 114.56 2jmg h TRP 16 Ca -0.20 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.72 2jmg h TRP 16 Cb 1.96 -0.37 0.00 0.00 -0.00 0.00 0.00 29.16 30.75 2jmg h TRP 16 CO 0.12 0.62 -0.22 0.39 -0.00 0.00 0.00 178.44 179.35 2jmg n GLU 17 N -4.46 0.14 0.19 2.65 1.02 -0.27 -3.45 120.64 116.46 2jmg n GLU 17 Ca 0.13 -0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 2jmg n GLU 17 Cb 0.13 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.12 0.00 -6.01 3.49 3.64 -0.66 -3.41 116.57 113.75 2jmg h LYS 18 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2jmg h LYS 18 Cb 0.47 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 2jmg h LYS 18 CO 0.00 0.00 -0.15 0.42 -2.27 0.00 0.00 179.45 177.45 2jmg s ILE 19 N -3.23 4.99 0.27 2.00 1.01 -1.15 -5.01 121.20 120.09 2jmg s ILE 19 Ca 0.07 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.73 2jmg s ILE 19 Cb 0.08 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2jmg s ILE 19 CO 0.62 0.53 0.33 0.00 0.00 0.00 0.00 174.94 176.42 2jmg s ARG 20 N -0.76 3.17 0.04 2.79 3.03 -1.26 -2.33 118.95 123.64 2jmg s ARG 20 Ca 0.25 -0.94 -0.10 0.00 2.03 0.00 0.00 55.73 56.98 2jmg s ARG 20 Cb -0.17 -2.75 -0.32 0.00 -1.03 0.00 0.00 34.95 30.68 2jmg s ARG 20 CO 0.14 0.32 1.03 -0.07 -1.13 0.00 0.00 175.30 175.59 2jmg h LEU 21 N 1.21 0.63 -9.80 -1.89 3.38 -1.81 -2.52 115.31 104.51 2jmg h LEU 21 Ca -0.49 -0.70 -0.54 0.00 0.09 0.00 0.00 57.88 56.24 2jmg h LEU 21 Cb 1.24 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2jmg h LEU 21 CO 0.59 1.55 -0.54 -0.13 0.09 0.00 0.00 178.44 180.00 2jmg s ARG 22 N -2.62 2.40 0.12 1.13 0.52 -1.26 -3.78 118.95 115.45 2jmg s ARG 22 Ca -0.07 -1.51 -0.13 0.00 -0.52 0.00 0.00 55.73 53.50 2jmg s ARG 22 Cb 0.06 -2.20 -0.06 0.00 0.52 0.00 0.00 34.95 33.26 2jmg s ARG 22 CO 0.91 0.14 1.45 -1.00 0.02 0.00 0.00 175.30 176.82 2jmg h PRO 23 N 1.56 0.84 -0.28 3.54 0.13 -1.90 -3.35 132.00 132.54 2jmg h PRO 23 Ca -0.44 -0.44 -0.24 0.00 -0.87 0.00 0.00 66.00 64.01 2jmg h PRO 23 Cb 1.25 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 2jmg h PRO 23 CO 0.63 1.08 -0.88 0.41 -0.23 0.00 0.00 178.00 179.00 2jmg n GLY 24 N 0.15 3.41 0.00 1.56 0.00 -1.26 -4.95 105.19 104.09 2jmg n GLY 24 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.44 1.16 0.00 -0.02 0.00 -1.26 -5.05 105.19 99.58 2jmg n GLY 25 Ca 0.18 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jmg n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jmg n LYS 26 N -0.78 6.63 -3.13 1.61 3.00 -1.26 -4.97 118.16 119.27 2jmg n LYS 26 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 2jmg n LYS 26 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 35.03 34.46 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2jmg s LYS 27 N -1.02 4.04 0.00 1.64 -0.14 -1.26 -5.07 119.74 117.94 2jmg s LYS 27 Ca 0.00 0.71 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 2jmg s LYS 27 Cb 0.00 -2.49 -0.00 0.00 -1.68 0.00 0.00 37.83 33.66 2jmg s LYS 27 CO 0.00 0.19 0.00 1.04 -0.76 0.00 0.00 175.35 175.82 2jmg n GLN 28 N -0.21 0.57 -3.62 1.68 3.00 -1.26 -2.89 117.38 114.65 2jmg n GLN 28 Ca 0.03 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 2jmg n GLN 28 Cb 0.53 0.03 -0.05 0.00 0.00 0.00 0.00 30.24 30.75 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2jmg s TYR 29 N -1.73 3.52 0.32 1.08 2.02 -0.98 -4.70 117.35 116.87 2jmg s TYR 29 Ca 0.00 0.66 -0.04 0.00 -0.37 0.00 0.00 57.07 57.33 2jmg s TYR 29 Cb 0.00 -2.08 -0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2jmg s TYR 29 CO 0.00 0.46 0.46 0.15 -1.57 0.00 0.00 175.55 175.05 2jmg s LYS 30 N -2.34 1.82 0.47 -0.62 1.02 -1.26 -4.24 119.74 114.59 2jmg s LYS 30 Ca 0.38 -1.68 0.21 0.00 0.02 0.00 0.00 55.97 54.91 2jmg s LYS 30 Cb -0.13 0.44 1.22 0.00 -0.52 0.00 0.00 37.83 38.84 2jmg s LYS 30 CO 0.21 -0.75 1.91 -0.07 -0.92 0.00 0.00 175.35 175.74 2jmg h LEU 31 N 2.16 0.23 -0.89 3.17 3.38 -1.98 -1.23 115.31 120.14 2jmg h LEU 31 Ca -0.28 0.02 0.24 0.00 0.09 0.00 0.00 57.88 57.95 2jmg h LEU 31 Cb 1.24 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2jmg h LEU 31 CO 0.39 0.11 0.29 0.11 0.09 0.00 0.00 178.44 179.43 2jmg h LYS 32 N 0.24 0.24 0.04 1.13 1.57 -2.00 0.53 116.57 118.32 2jmg h LYS 32 Ca 0.38 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 59.00 2jmg h LYS 32 Cb 1.14 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.41 2jmg h LYS 32 CO -0.09 0.16 -0.60 0.45 -0.57 0.00 0.00 179.45 178.80 2jmg h HIS 33 N 0.25 0.52 -0.56 -1.35 3.86 -1.64 -2.34 115.15 113.89 2jmg h HIS 33 Ca 0.57 -0.31 0.15 0.00 -1.16 0.00 0.00 60.37 59.62 2jmg h HIS 33 Cb 1.17 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 2jmg h HIS 33 CO -0.22 1.16 0.39 0.82 0.86 0.00 0.00 177.93 180.95 2jmg h ILE 34 N -0.27 0.75 0.00 2.45 2.04 -1.08 0.25 117.51 121.64 2jmg h ILE 34 Ca -0.09 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2jmg h ILE 34 Cb 1.36 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2jmg h ILE 34 CO 0.12 0.01 -0.09 0.58 0.00 0.00 0.00 178.15 178.77 2jmg h VAL 35 N 0.06 1.59 -0.95 1.67 2.07 -1.00 -2.81 116.25 116.87 2jmg h VAL 35 Ca 0.26 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.58 2jmg h VAL 35 Cb 0.98 3.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.73 2jmg h VAL 35 CO -0.02 0.54 0.63 -0.25 0.02 0.00 0.00 177.57 178.49 2jmg h TRP 36 N -1.00 1.18 0.33 1.57 7.01 -0.86 -1.89 115.95 122.29 2jmg h TRP 36 Ca -0.02 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2jmg h TRP 36 Cb 0.94 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 2jmg h TRP 36 CO 0.24 0.71 -0.16 0.00 -2.79 0.00 0.00 178.44 176.45 2jmg h ALA 37 N 1.42 -0.44 -0.54 2.65 0.00 -0.65 0.28 119.26 121.99 2jmg h ALA 37 Ca 0.37 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.25 2jmg h ALA 37 Cb -0.07 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jmg h ALA 37 CO -0.10 -0.59 0.44 0.77 0.00 0.00 0.00 179.25 179.77 2jmg h SER 38 N -0.75 0.00 0.07 0.00 0.02 -1.32 -0.97 113.55 110.61 2jmg h SER 38 Ca -0.04 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.70 2jmg h SER 38 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2jmg h SER 38 CO 0.07 0.00 -1.05 0.03 -1.14 0.00 0.00 176.83 174.74 2jmg h ARG 39 N 0.00 0.15 -0.46 3.45 2.47 -1.15 -3.33 114.38 115.52 2jmg h ARG 39 Ca 0.26 -0.26 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 2jmg h ARG 39 Cb 1.13 0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 29.48 2jmg h ARG 39 CO -0.00 1.13 0.05 1.49 0.56 0.00 0.00 179.97 183.19 2jmg h GLU 40 N -0.58 0.17 -0.99 0.04 4.22 0.55 -0.85 114.58 117.13 2jmg h GLU 40 Ca -0.24 -0.01 0.18 0.00 0.08 0.00 0.00 59.36 59.37 2jmg h GLU 40 Cb 1.51 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.63 2jmg h GLU 40 CO 0.00 0.11 0.62 -0.07 -2.18 0.00 0.00 179.01 177.49 2jmg h LEU 41 N 0.17 0.77 -2.32 1.64 3.38 -1.38 0.37 115.31 117.95 2jmg h LEU 41 Ca 0.23 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2jmg h LEU 41 Cb 0.31 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jmg h LEU 41 CO -0.33 0.31 -0.01 -0.08 0.09 0.00 0.00 178.44 178.42 2jmg h GLU 42 N 0.77 0.00 0.01 1.13 4.81 -0.72 0.14 114.58 120.73 2jmg h GLU 42 Ca 0.55 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.57 2jmg h GLU 42 Cb 0.84 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2jmg h GLU 42 CO -0.33 0.01 -0.96 -0.09 -0.73 0.00 0.00 179.01 176.90 2jmg h ARG 43 N 0.00 0.04 -1.22 1.92 2.43 -0.16 -3.26 114.38 114.12 2jmg h ARG 43 Ca -0.00 -0.06 -0.47 0.00 -0.81 0.00 0.00 59.98 58.65 2jmg h ARG 43 Cb 0.01 0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 29.37 2jmg h ARG 43 CO 0.00 0.97 0.60 1.19 -1.51 0.00 0.00 179.97 181.22 2jmg n PHE 44 N -3.45 2.31 -2.13 2.20 3.01 -0.39 -4.83 117.46 114.19 2jmg n PHE 44 Ca -0.01 -2.27 -0.07 0.00 1.01 0.00 0.00 57.45 56.11 2jmg n PHE 44 Cb 0.90 -1.10 -0.01 0.00 -0.01 0.00 0.00 39.48 39.25 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 -0.33 -0.67 -3.79 4.37 0.00 -1.20 -4.89 120.51 113.99 2jmg n ALA 45 Ca 0.45 0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 2jmg n ALA 45 Cb 0.76 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.14 2.60 0.29 0.00 1.01 0.37 -5.02 120.40 117.52 2jmg s VAL 46 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2jmg s VAL 46 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 2jmg s VAL 46 CO 0.00 0.50 1.34 0.20 0.00 0.00 0.00 175.10 177.14 2jmg s ASN 47 N 1.27 6.75 0.00 3.32 0.01 -1.26 -2.30 114.94 122.73 2jmg s ASN 47 Ca 0.03 2.65 0.15 0.00 -0.71 0.00 0.00 52.86 54.99 2jmg s ASN 47 Cb -0.14 -2.64 0.80 0.00 0.41 0.00 0.00 41.25 39.68 2jmg s ASN 47 CO -0.07 -0.58 1.40 -0.81 -1.51 0.00 0.00 177.10 175.53 2jmg n PRO 48 N 1.42 0.28 0.00 -0.60 -0.04 -1.26 -2.83 135.00 131.96 2jmg n PRO 48 Ca 0.02 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2jmg n PRO 48 Cb 0.41 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.01 -0.89 0.04 0.55 0.00 -1.26 -2.61 105.19 101.01 2jmg n GLY 49 Ca 0.08 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.25 0.11 -0.18 0.99 4.77 -1.13 -2.89 117.00 117.42 2jmg n LEU 50 Ca 0.10 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2jmg n LEU 50 Cb 0.14 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2jmg n LEU 50 CO 0.14 0.02 0.11 0.18 -1.33 0.00 0.00 177.39 176.52 2jmg n LEU 51 N -0.75 1.34 -2.58 2.23 4.77 -1.07 -1.74 117.00 119.20 2jmg n LEU 51 Ca 0.16 -0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 55.22 2jmg n LEU 51 Cb 0.09 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2jmg n LEU 51 CO 0.12 0.29 1.24 -1.84 -1.33 0.00 0.00 177.39 175.87 2jmg n GLU 52 N -0.96 2.88 -3.33 3.23 0.28 -1.14 -4.88 120.64 116.72 2jmg n GLU 52 Ca 0.06 -3.60 0.02 0.00 -0.16 0.00 0.00 57.16 53.48 2jmg n GLU 52 Cb 0.38 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 30.93 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 -0.23 0.44 3.84 -1.32 -1.26 -4.98 115.64 107.13 2jmg s THR 53 Ca 0.56 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.23 2jmg s THR 53 Cb 0.46 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.83 2jmg s THR 53 CO -0.20 0.00 1.88 0.77 -2.21 0.00 0.00 174.62 174.86 2jmg h SER 54 N 7.03 0.34 1.39 8.08 4.64 -1.90 0.33 113.55 133.47 2jmg h SER 54 Ca -0.16 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 2jmg h SER 54 Cb 1.13 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2jmg h SER 54 CO 0.09 0.15 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.25 2jmg h GLU 55 N 0.34 0.00 -0.07 4.77 5.08 -1.95 -3.27 114.58 119.48 2jmg h GLU 55 Ca 0.43 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2jmg h GLU 55 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jmg h GLU 55 CO -0.14 0.59 -0.11 0.78 -1.00 0.00 0.00 179.01 179.13 2jmg h GLY 56 N 3.41 0.22 0.57 -3.84 0.00 -0.60 -2.86 103.07 99.97 2jmg h GLY 56 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2jmg h GLY 56 CO 0.08 0.22 -0.46 0.00 0.00 0.00 0.00 176.54 176.38 2jmg h ARG 58 N -1.00 0.48 -0.56 0.00 1.12 -1.68 0.43 114.38 113.18 2jmg h ARG 58 Ca -0.07 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.71 2jmg h ARG 58 Cb 0.84 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.66 2jmg h ARG 58 CO 0.00 0.32 0.13 0.37 -3.11 0.00 0.00 179.97 177.68 2jmg h GLN 59 N 0.50 0.86 -0.40 0.20 4.15 -1.17 -2.87 115.11 116.37 2jmg h GLN 59 Ca 0.65 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.92 2jmg h GLN 59 Cb 1.38 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 2jmg h GLN 59 CO -0.44 0.77 0.21 0.82 -1.93 0.00 0.00 178.83 178.26 2jmg h ILE 60 N 0.83 0.99 -0.24 2.39 2.04 0.82 -1.45 117.51 122.89 2jmg h ILE 60 Ca 0.18 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2jmg h ILE 60 Cb 0.30 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jmg h ILE 60 CO -0.00 0.08 0.17 -0.07 0.00 0.00 0.00 178.15 178.33 2jmg h LEU 61 N 0.43 0.09 -0.67 1.44 3.38 -1.28 -1.10 115.31 117.59 2jmg h LEU 61 Ca 0.17 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2jmg h LEU 61 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2jmg h LEU 61 CO -0.11 0.06 -0.54 1.23 0.09 0.00 0.00 178.44 179.18 2jmg h GLY 62 N 0.10 0.39 0.86 0.83 0.00 -1.18 0.26 103.07 104.34 2jmg h GLY 62 Ca 0.11 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 2jmg h GLY 62 CO -0.01 0.40 -0.60 -1.61 0.00 0.00 0.00 176.54 174.73 2jmg h GLN 63 N 0.28 0.49 0.00 4.80 -0.00 -0.87 -3.22 115.11 116.58 2jmg h GLN 63 Ca 0.01 -0.46 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2jmg h GLN 63 Cb 1.03 0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.63 2jmg h GLN 63 CO 0.09 1.10 -0.10 -0.07 0.00 0.00 0.00 178.83 179.85 2jmg h LEU 64 N 0.04 0.00 0.06 -2.39 3.38 -1.36 -3.36 115.31 111.69 2jmg h LEU 64 Ca -0.06 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jmg h LEU 64 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2jmg h LEU 64 CO 0.12 0.01 -0.46 1.56 0.09 0.00 0.00 178.44 179.76 2jmg h GLN 65 N 0.00 -0.61 0.00 1.13 4.20 -0.48 0.33 115.11 119.69 2jmg h GLN 65 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2jmg h GLN 65 Cb 0.79 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2jmg h GLN 65 CO 0.00 -0.41 0.00 -0.35 -0.67 0.00 0.00 178.83 177.40 2jmg n PRO 66 N -5.07 0.30 -0.01 1.46 -0.04 -1.26 -2.03 135.00 128.35 2jmg n PRO 66 Ca -0.07 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2jmg n PRO 66 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 2jmg n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jmg n SER 67 N -1.20 0.45 0.17 3.54 7.64 -0.01 -4.32 113.62 119.88 2jmg n SER 67 Ca 0.08 -0.18 0.18 0.00 1.01 0.00 0.00 58.87 59.97 2jmg n SER 67 Cb 0.10 1.76 0.70 0.00 -1.01 0.00 0.00 64.21 65.76 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jmg h LEU 68 N 0.00 0.00 0.12 -3.43 3.38 0.18 0.70 115.31 116.25 2jmg h LEU 68 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2jmg h LEU 68 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2jmg h LEU 68 CO 0.00 0.00 -1.98 1.67 0.09 0.00 0.00 178.44 178.22 2jmg n GLN 69 N -3.30 0.75 0.02 1.13 7.27 -1.26 -4.50 117.38 117.49 2jmg n GLN 69 Ca 0.05 0.26 -0.09 0.00 0.07 0.00 0.00 57.00 57.30 2jmg n GLN 69 Cb 0.63 -1.72 -0.06 0.00 2.41 0.00 0.00 30.24 31.50 2jmg n GLN 69 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2jmg h THR 70 N 0.07 0.75 -3.28 1.69 1.35 -0.99 -3.46 112.91 109.03 2jmg h THR 70 Ca -0.41 -1.29 -0.42 0.00 -0.55 0.00 0.00 66.41 63.74 2jmg h THR 70 Cb 2.04 1.33 0.20 0.00 -1.73 0.00 0.00 68.15 69.99 2jmg h THR 70 CO 0.09 0.22 0.01 -0.83 -0.25 0.00 0.00 175.52 174.76 2jmg s GLY 71 N -3.49 1.51 0.00 5.82 0.00 0.22 -5.06 107.32 106.31 2jmg s GLY 71 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2jmg s GLY 71 CO 0.38 0.33 0.00 -1.14 0.00 0.00 0.00 173.10 172.66 2jmg n SER 72 N -5.05 0.00 0.24 1.64 3.41 -1.26 -4.86 113.62 107.74 2jmg n SER 72 Ca 0.07 -0.52 0.16 0.00 -0.26 0.00 0.00 58.87 58.33 2jmg n SER 72 Cb 0.57 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.37 2jmg n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jmg h GLU 73 N 0.00 0.00 0.00 4.33 4.11 -1.97 -1.55 114.58 119.50 2jmg h GLU 73 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jmg h GLU 73 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jmg h GLU 73 CO 0.00 0.00 -0.01 0.93 0.07 0.00 0.00 179.01 180.00 2jmg h GLU 74 N 0.00 0.00 0.01 1.06 5.08 -2.02 -1.91 114.58 116.81 2jmg h GLU 74 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2jmg h GLU 74 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2jmg h GLU 74 CO 0.00 0.01 -1.88 -0.11 -1.00 0.00 0.00 179.01 176.03 2jmg n LEU 75 N -3.20 0.87 -0.31 1.33 7.94 -0.58 -4.20 117.00 118.85 2jmg n LEU 75 Ca -0.02 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 2jmg n LEU 75 Cb 0.13 0.12 0.13 0.00 0.53 0.00 0.00 43.42 44.34 2jmg n LEU 75 CO 0.23 0.45 1.19 -0.09 -1.11 0.00 0.00 177.39 178.06 2jmg h ARG 76 N 0.01 0.94 -0.85 1.96 1.12 -1.42 -1.49 114.38 114.65 2jmg h ARG 76 Ca -0.35 -0.06 0.01 0.00 -1.11 0.00 0.00 59.98 58.47 2jmg h ARG 76 Cb 2.06 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 31.77 2jmg h ARG 76 CO 0.07 0.62 0.56 0.77 -3.11 0.00 0.00 179.97 178.88 2jmg h SER 77 N 0.97 0.97 0.48 -3.80 0.02 -1.70 -2.44 113.55 108.05 2jmg h SER 77 Ca 0.36 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 2jmg h SER 77 Cb 0.14 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jmg h SER 77 CO -0.16 0.70 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.93 2jmg h LEU 78 N 1.14 -0.55 -0.77 5.07 -0.00 -1.47 -3.10 115.31 115.63 2jmg h LEU 78 Ca 0.31 -0.08 0.17 0.00 -0.00 0.00 0.00 57.88 58.29 2jmg h LEU 78 Cb -0.13 0.14 -0.14 0.00 -0.00 0.00 0.00 40.66 40.53 2jmg h LEU 78 CO -0.07 -0.18 -0.05 0.22 -0.00 0.00 0.00 178.44 178.36 2jmg h TYR 79 N -0.97 -0.16 -0.00 1.13 5.03 -1.23 0.68 116.97 121.45 2jmg h TYR 79 Ca -0.07 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2jmg h TYR 79 Cb 0.59 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 2jmg h TYR 79 CO 0.01 -0.28 -0.00 -0.91 -1.32 0.00 0.00 178.16 175.66 2jmg h ASN 80 N 0.06 -0.00 -0.10 -2.11 4.21 -1.44 -0.32 115.58 115.87 2jmg h ASN 80 Ca 0.41 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.96 2jmg h ASN 80 Cb 0.71 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.85 2jmg h ASN 80 CO -0.72 -0.00 -0.38 0.74 -1.29 0.00 0.00 177.43 175.78 2jmg h THR 81 N -0.00 0.21 -0.96 2.81 2.02 -1.36 -1.41 112.91 114.22 2jmg h THR 81 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.43 2jmg h THR 81 Cb 0.00 0.21 -0.18 0.00 -1.74 0.00 0.00 68.15 66.44 2jmg h THR 81 CO -0.00 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.28 2jmg h ILE 82 N -0.47 0.06 -0.49 3.11 2.04 -0.72 1.00 117.51 122.05 2jmg h ILE 82 Ca 0.08 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 2jmg h ILE 82 Cb 0.60 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2jmg h ILE 82 CO -0.36 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 177.72 2jmg h ALA 83 N 1.95 0.96 0.00 1.87 0.00 -0.06 -1.28 119.26 122.69 2jmg h ALA 83 Ca 0.56 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jmg h ALA 83 Cb 1.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jmg h ALA 83 CO -0.90 0.62 -0.37 0.28 0.00 0.00 0.00 179.25 178.88 2jmg h VAL 84 N 0.79 1.19 0.04 0.00 2.07 0.19 -3.14 116.25 117.39 2jmg h VAL 84 Ca 0.14 -1.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 2jmg h VAL 84 Cb 0.57 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2jmg h VAL 84 CO 0.03 0.36 -0.38 0.25 0.02 0.00 0.00 177.57 177.85 2jmg h LEU 85 N 0.00 0.26 -0.86 2.57 5.85 -0.25 -3.20 115.31 119.67 2jmg h LEU 85 Ca -0.00 -0.89 0.22 0.00 0.84 0.00 0.00 57.88 58.05 2jmg h LEU 85 Cb 0.68 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.49 2jmg h LEU 85 CO 0.05 1.13 0.22 0.22 -0.34 0.00 0.00 178.44 179.71 2jmg h TYR 86 N -0.57 0.32 -0.32 1.25 3.20 -1.20 0.15 116.97 119.80 2jmg h TYR 86 Ca -0.06 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2jmg h TYR 86 Cb 1.23 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2jmg h TYR 86 CO 0.21 -0.20 0.12 0.00 -1.64 0.00 0.00 178.16 176.65 2jmg h VAL 88 N 0.37 0.00 -0.52 0.00 2.07 -0.57 0.48 116.25 118.08 2jmg h VAL 88 Ca 0.11 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.78 2jmg h VAL 88 Cb 0.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 2jmg h VAL 88 CO -0.01 0.00 0.38 0.45 0.02 0.00 0.00 177.57 178.41 2jmg h HIS 89 N -0.35 0.01 -0.06 1.57 -0.00 -1.47 0.31 115.15 115.16 2jmg h HIS 89 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2jmg h HIS 89 Cb 0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2jmg h HIS 89 CO -0.51 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 178.46 2jmg n GLN 90 N -4.38 1.23 -0.74 2.45 1.13 -0.20 -4.81 117.38 112.05 2jmg n GLN 90 Ca 0.10 -0.26 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 2jmg n GLN 90 Cb 0.59 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.72 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2jmg n ARG 91 N -0.18 0.00 -2.63 -1.09 0.00 0.11 -4.98 116.66 107.89 2jmg n ARG 91 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.46 2jmg n ARG 91 Cb 0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 32.46 29.81 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jmg s ILE 92 N -3.24 4.21 -0.45 5.15 1.01 0.15 -4.95 121.20 123.08 2jmg s ILE 92 Ca 0.00 1.86 0.04 0.00 0.00 0.00 0.00 60.65 62.55 2jmg s ILE 92 Cb 0.00 -4.19 0.43 0.00 0.01 0.00 0.00 42.46 38.71 2jmg s ILE 92 CO 0.00 0.30 1.32 -0.67 0.00 0.00 0.00 174.94 175.89 2jmg n ASP 93 N 2.62 5.36 -0.74 3.58 -0.08 -1.26 -2.86 116.55 123.15 2jmg n ASP 93 Ca 0.03 -3.75 -0.10 0.00 -1.51 0.00 0.00 54.79 49.46 2jmg n ASP 93 Cb 0.48 -0.53 -0.01 0.00 2.34 0.00 0.00 41.12 43.39 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 -0.60 0.03 0.23 5.18 0.24 -1.26 -4.68 118.33 117.47 2jmg n VAL 94 Ca 0.44 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.87 2jmg n VAL 94 Cb 0.72 0.00 0.70 0.00 -1.47 0.00 0.00 33.84 33.79 2jmg n VAL 94 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2jmg h LYS 95 N 0.47 0.00 0.00 7.34 3.64 -1.96 -3.44 116.57 122.62 2jmg h LYS 95 Ca -0.08 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.60 2jmg h LYS 95 Cb 0.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 2jmg h LYS 95 CO 0.11 0.00 0.84 -0.40 -2.27 0.00 0.00 179.45 177.72 2jmg n ASP 96 N -2.45 -1.33 0.11 4.20 5.68 -1.26 -4.47 116.55 117.02 2jmg n ASP 96 Ca -0.01 -1.41 0.11 0.00 -0.50 0.00 0.00 54.79 52.98 2jmg n ASP 96 Cb 0.08 2.10 0.47 0.00 -1.14 0.00 0.00 41.12 42.63 2jmg n ASP 96 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2jmg n THR 97 N -0.88 0.85 -0.00 2.12 -1.04 -0.95 -3.07 114.28 111.31 2jmg n THR 97 Ca 0.03 0.24 -0.08 0.00 -2.04 0.00 0.00 64.05 62.20 2jmg n THR 97 Cb 0.58 -1.15 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 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 -0.11 -0.06 -2.82 1.63 -1.89 -3.07 116.57 110.26 2jmg h LYS 98 Ca 0.00 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 2jmg h LYS 98 Cb 0.35 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2jmg h LYS 98 CO 0.00 0.30 0.12 1.49 -3.45 0.00 0.00 179.45 177.91 2jmg h GLU 99 N -0.97 0.00 -0.07 1.90 4.57 -1.94 0.54 114.58 118.60 2jmg h GLU 99 Ca -0.01 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 2jmg h GLU 99 Cb 0.46 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2jmg h GLU 99 CO 0.02 0.00 -0.88 0.00 -1.18 0.00 0.00 179.01 176.97 2jmg h ALA 100 N 1.83 0.30 0.00 2.92 0.00 -1.59 -2.57 119.26 120.14 2jmg h ALA 100 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jmg h ALA 100 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jmg h ALA 100 CO -0.00 0.71 -0.43 1.25 0.00 0.00 0.00 179.25 180.79 2jmg h LEU 101 N 0.42 0.00 -2.02 0.00 7.12 -1.04 -3.08 115.31 116.71 2jmg h LEU 101 Ca -0.08 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.83 2jmg h LEU 101 Cb 1.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 2jmg h LEU 101 CO 0.17 0.05 0.00 0.47 -0.13 0.00 0.00 178.44 179.00 2jmg n ASP 102 N -2.33 3.03 -0.03 1.25 8.00 0.03 -3.77 116.55 122.72 2jmg n ASP 102 Ca 0.04 -1.93 -0.02 0.00 0.71 0.00 0.00 54.79 53.58 2jmg n ASP 102 Cb 0.46 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 2jmg n ASP 102 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2jmg n LYS 103 N 1.22 2.94 0.18 -1.24 3.00 -0.97 -4.60 118.16 118.70 2jmg n LYS 103 Ca 0.18 -0.01 0.12 0.00 -0.00 0.00 0.00 58.31 58.61 2jmg n LYS 103 Cb 0.54 -1.14 0.12 0.00 0.00 0.00 0.00 35.03 34.56 2jmg n LYS 103 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2jmg h ILE 104 N 0.00 0.00 0.00 3.15 2.04 -1.70 -3.25 117.51 117.75 2jmg h ILE 104 Ca -0.14 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 2jmg h ILE 104 Cb 1.28 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2jmg h ILE 104 CO 0.01 0.00 -0.31 1.05 0.00 0.00 0.00 178.15 178.89 2jmg h GLU 105 N 0.00 0.00 0.04 2.37 -0.00 -1.81 -2.70 114.58 112.48 2jmg h GLU 105 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.10 2jmg h GLU 105 Cb 0.99 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.72 2jmg h GLU 105 CO 0.00 0.31 -1.29 0.93 -0.00 0.00 0.00 179.01 178.96 2jmg h GLU 106 N 0.00 0.09 -0.25 1.06 5.08 -1.82 -3.28 114.58 115.47 2jmg h GLU 106 Ca -0.00 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 2jmg h GLU 106 Cb 0.84 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2jmg h GLU 106 CO 0.04 0.95 -0.46 0.93 -1.00 0.00 0.00 179.01 179.47 2jmg h GLU 107 N 0.02 0.65 -0.80 2.33 5.08 -1.59 -1.12 114.58 119.16 2jmg h GLU 107 Ca -0.13 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2jmg h GLU 107 Cb 1.90 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.14 2jmg h GLU 107 CO 0.14 0.98 0.38 0.37 -1.00 0.00 0.00 179.01 179.88 2jmg h GLN 108 N 0.52 1.15 -0.03 2.33 -0.00 -1.58 -0.93 115.11 116.57 2jmg h GLN 108 Ca 0.03 -0.17 -0.25 0.00 -0.00 0.00 0.00 58.65 58.26 2jmg h GLN 108 Cb 1.00 -0.21 0.02 0.00 0.00 0.00 0.00 27.48 28.29 2jmg h GLN 108 CO 0.09 0.89 -0.98 -0.91 0.00 0.00 0.00 178.83 177.92 2jmg h ASN 109 N 1.13 0.91 -0.45 -0.69 4.21 -1.59 -3.22 115.58 115.87 2jmg h ASN 109 Ca 0.27 -0.72 -0.01 0.00 1.21 0.00 0.00 56.30 57.05 2jmg h ASN 109 Cb 0.12 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 2jmg h ASN 109 CO -0.03 1.50 0.24 0.50 -1.29 0.00 0.00 177.43 178.35 2jmg h LYS 110 N 0.40 0.67 -0.54 0.81 1.63 -1.01 -2.09 116.57 116.44 2jmg h LYS 110 Ca -0.11 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 2jmg h LYS 110 Cb 1.63 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 33.10 2jmg h LYS 110 CO 0.19 0.52 0.21 1.03 -3.45 0.00 0.00 179.45 177.95 2jmg h SER 111 N 0.68 0.72 -0.75 4.20 0.87 -1.18 -2.28 113.55 115.80 2jmg h SER 111 Ca 0.17 -0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.74 2jmg h SER 111 Cb 0.06 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 2jmg h SER 111 CO -0.02 0.66 0.49 0.50 -0.53 0.00 0.00 176.83 177.92 2jmg h LYS 112 N 0.78 0.60 -0.32 2.24 3.11 -1.40 0.06 116.57 121.64 2jmg h LYS 112 Ca 0.19 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2jmg h LYS 112 Cb 0.17 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 2jmg h LYS 112 CO -0.02 0.40 0.12 -0.22 -2.81 0.00 0.00 179.45 176.92 2jmg h LYS 113 N 0.62 0.44 -1.01 1.90 3.64 -1.45 -1.65 116.57 119.06 2jmg h LYS 113 Ca 0.35 -0.05 -0.45 0.00 -1.27 0.00 0.00 60.65 59.22 2jmg h LYS 113 Cb 0.52 -0.09 -0.27 0.00 -0.41 0.00 0.00 32.23 31.99 2jmg h LYS 113 CO -0.13 0.37 0.58 1.63 -2.27 0.00 0.00 179.45 179.63 2jmg n LYS 114 N -4.41 2.10 -0.73 1.90 5.02 -0.00 -4.28 118.16 117.76 2jmg n LYS 114 Ca 0.02 -2.61 -0.01 0.00 -2.02 0.00 0.00 58.31 53.68 2jmg n LYS 114 Cb 0.14 -2.02 0.23 0.00 -0.02 0.00 0.00 35.03 33.35 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmg n ALA 115 N -0.91 3.97 -1.92 7.82 0.00 -0.62 -4.46 120.51 124.38 2jmg n ALA 115 Ca 0.52 -2.75 -0.05 0.00 0.00 0.00 0.00 53.44 51.16 2jmg n ALA 115 Cb 1.49 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 2jmg n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jmg n GLN 116 N -0.83 0.00 -0.14 0.00 7.27 -1.26 -4.97 117.38 117.46 2jmg n GLN 116 Ca 0.32 -0.67 -0.11 0.00 0.07 0.00 0.00 57.00 56.61 2jmg n GLN 116 Cb 1.07 0.38 0.02 0.00 2.41 0.00 0.00 30.24 34.12 2jmg n GLN 116 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2jmg h GLN 117 N 0.00 0.95 -0.35 3.69 4.15 -1.84 -2.72 115.11 118.99 2jmg h GLN 117 Ca -0.38 -0.41 0.10 0.00 0.77 0.00 0.00 58.65 58.73 2jmg h GLN 117 Cb 1.20 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2jmg h GLN 117 CO -0.19 1.08 0.32 0.00 -1.93 0.00 0.00 178.83 178.11 2jmg h ALA 118 N 0.90 2.11 0.07 3.38 0.00 -1.94 -1.61 119.26 122.18 2jmg h ALA 118 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2jmg h ALA 118 Cb 0.81 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jmg h ALA 118 CO 0.07 -0.50 -0.78 0.00 0.00 0.00 0.00 179.25 178.03 2jmg h ALA 119 N 1.68 0.07 -0.69 0.00 0.00 -1.87 -3.30 119.26 115.14 2jmg h ALA 119 Ca 0.17 -0.82 0.13 0.00 0.00 0.00 0.00 54.91 54.39 2jmg h ALA 119 Cb 0.81 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2jmg h ALA 119 CO -0.00 0.43 0.46 0.00 0.00 0.00 0.00 179.25 180.14 2jmg h ALA 120 N -0.07 2.09 -0.65 0.00 0.00 -1.08 -0.78 119.26 118.77 2jmg h ALA 120 Ca -0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2jmg h ALA 120 Cb 1.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2jmg h ALA 120 CO 0.02 -0.27 0.17 0.22 0.00 0.00 0.00 179.25 179.39 2jmg h ASP 121 N 0.40 0.98 -3.01 0.00 3.58 -1.44 -3.40 116.42 113.52 2jmg h ASP 121 Ca 0.33 -0.23 -0.57 0.00 0.42 0.00 0.00 57.03 56.98 2jmg h ASP 121 Cb 0.74 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 2jmg h ASP 121 CO -0.10 0.95 1.14 -0.89 -2.88 0.00 0.00 179.24 177.47 2jmg s THR 122 N -5.33 3.75 0.13 2.25 2.01 -0.30 -4.93 115.64 113.23 2jmg s THR 122 Ca -0.12 0.78 -0.25 0.00 0.31 0.00 0.00 61.69 62.41 2jmg s THR 122 Cb 0.14 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.77 2jmg s THR 122 CO 0.83 -0.57 1.04 -0.83 -0.69 0.00 0.00 174.62 174.40 2jmg s GLY 123 N 4.61 -0.17 -0.03 4.40 0.00 -1.26 -4.97 107.32 109.88 2jmg s GLY 123 Ca 0.68 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2jmg s GLY 123 CO 0.32 0.72 0.00 0.21 0.00 0.00 0.00 173.10 174.36 2jmg s ASN 124 N -3.08 5.15 -0.19 1.64 3.84 -1.26 -5.11 114.94 115.93 2jmg s ASN 124 Ca 0.15 0.05 -0.30 0.00 0.21 0.00 0.00 52.86 52.97 2jmg s ASN 124 Cb -0.01 -1.38 0.14 0.00 -0.55 0.00 0.00 41.25 39.46 2jmg s ASN 124 CO 0.02 0.32 1.10 0.54 -2.79 0.00 0.00 177.10 176.29 2jmg s ASN 125 N -1.30 -0.27 -0.31 -4.21 4.22 -1.26 -5.14 114.94 106.67 2jmg s ASN 125 Ca 0.17 0.27 -0.02 0.00 -2.14 0.00 0.00 52.86 51.15 2jmg s ASN 125 Cb -0.11 0.22 0.10 0.00 1.28 0.00 0.00 41.25 42.74 2jmg s ASN 125 CO 0.07 -0.26 0.11 -0.55 -2.04 0.00 0.00 177.10 174.43 2jmg s SER 126 N -1.18 3.88 0.16 3.54 0.15 -1.26 -5.11 113.70 113.89 2jmg s SER 126 Ca 0.02 -1.58 -0.24 0.00 0.70 0.00 0.00 55.95 54.85 2jmg s SER 126 Cb -0.01 -0.72 0.06 0.00 -1.71 0.00 0.00 66.02 63.64 2jmg s SER 126 CO -0.02 -0.42 0.83 0.00 1.20 0.00 0.00 173.24 174.83 2jmg s GLN 127 N 1.71 1.32 0.47 5.44 -2.07 -1.26 -5.18 119.66 120.08 2jmg s GLN 127 Ca 0.10 -0.67 0.08 0.00 -1.82 0.00 0.00 55.36 53.05 2jmg s GLN 127 Cb -0.17 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 2jmg s GLN 127 CO -0.27 -0.60 0.56 0.14 -1.32 0.00 0.00 175.29 173.80 2jmg s VAL 128 N -3.51 2.54 0.12 3.63 -7.23 -1.26 -5.06 120.40 109.63 2jmg s VAL 128 Ca 0.09 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2jmg s VAL 128 Cb -0.03 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2jmg s VAL 128 CO -0.01 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.58 2jmg n SER 129 N -1.86 -0.47 -4.57 4.85 7.64 -1.26 -5.14 113.62 112.81 2jmg n SER 129 Ca 0.08 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 2jmg n SER 129 Cb 0.61 0.59 0.13 0.00 -1.01 0.00 0.00 64.21 64.53 2jmg n SER 129 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2jmg s GLN 130 N -1.32 1.40 0.52 1.43 -0.21 -1.26 -4.92 119.66 115.29 2jmg s GLN 130 Ca 0.00 -0.12 0.27 0.00 0.02 0.00 0.00 55.36 55.53 2jmg s GLN 130 Cb 0.00 -1.91 1.39 0.00 1.00 0.00 0.00 33.01 33.49 2jmg s GLN 130 CO 0.00 -1.95 1.94 -2.95 -2.12 0.00 0.00 175.29 170.21 2jmg h ASN 131 N -1.31 0.05 0.00 5.90 7.08 -2.07 -3.56 115.58 121.68 2jmg h ASN 131 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2jmg h ASN 131 Cb 1.29 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 2jmg h ASN 131 CO 0.54 0.02 0.00 0.00 -2.08 0.00 0.00 177.43 175.91