#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 0.36 -1.64 4.61 0.00 -1.26 -5.05 120.51 117.52 2jmg n ALA 3 Ca 0.00 -1.31 -0.38 0.00 0.00 0.00 0.00 53.44 51.74 2jmg n ALA 3 Cb 0.00 0.27 0.05 0.00 0.00 0.00 0.00 19.45 19.76 2jmg n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmg n ARG 4 N -2.08 1.11 -1.39 0.00 3.00 -1.26 -4.92 116.66 111.12 2jmg n ARG 4 Ca 0.11 0.42 -0.35 0.00 -0.01 0.00 0.00 57.85 58.01 2jmg n ARG 4 Cb 0.39 -2.25 0.09 0.00 0.00 0.00 0.00 32.46 30.70 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jmg n ALA 5 N -1.46 0.19 -1.62 7.54 0.00 -1.26 -4.65 120.51 119.26 2jmg n ALA 5 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2jmg n ALA 5 Cb 0.46 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2jmg n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jmg n SER 6 N -2.18 -7.08 -0.02 0.00 7.64 -1.26 -4.99 113.62 105.72 2jmg n SER 6 Ca 0.14 1.00 -0.00 0.00 1.01 0.00 0.00 58.87 61.02 2jmg n SER 6 Cb 0.49 -3.91 -0.06 0.00 -1.01 0.00 0.00 64.21 59.72 2jmg n SER 6 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jmg n ARG 7 N 1.30 1.58 -2.06 1.43 0.63 -1.26 -5.03 116.66 113.26 2jmg n ARG 7 Ca 0.00 -0.04 -0.29 0.00 -0.92 0.00 0.00 57.85 56.60 2jmg n ARG 7 Cb 0.00 -1.20 0.04 0.00 0.45 0.00 0.00 32.46 31.75 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jmg s LEU 8 N -4.11 3.03 0.00 6.15 1.43 -1.26 -5.10 118.68 118.83 2jmg s LEU 8 Ca -0.03 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 2jmg s LEU 8 Cb 0.04 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 2jmg s LEU 8 CO 0.33 -1.22 0.16 -1.20 0.23 0.00 0.00 176.35 174.65 2jmg n SER 9 N -2.85 0.06 -0.28 2.29 7.64 -1.26 -5.00 113.62 114.22 2jmg n SER 9 Ca 0.06 -2.45 0.09 0.00 1.01 0.00 0.00 58.87 57.58 2jmg n SER 9 Cb 0.57 0.97 0.24 0.00 -1.01 0.00 0.00 64.21 64.98 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jmg h GLY 10 N 1.26 1.33 0.65 0.23 0.00 -1.99 0.34 103.07 104.90 2jmg h GLY 10 Ca -0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2jmg h GLY 10 CO 0.26 -0.17 -0.49 -1.33 0.00 0.00 0.00 176.54 174.81 2jmg h GLY 11 N 0.44 -1.27 2.00 4.60 0.00 -2.02 -2.12 103.07 104.70 2jmg h GLY 11 Ca 0.48 0.56 -0.01 0.00 0.00 0.00 0.00 47.33 48.36 2jmg h GLY 11 CO -0.46 -0.40 -0.05 -2.09 0.00 0.00 0.00 176.54 173.53 2jmg h GLU 12 N -1.08 0.00 0.00 4.80 4.57 -1.85 -2.12 114.58 118.91 2jmg h GLU 12 Ca -0.08 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2jmg h GLU 12 Cb 0.91 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2jmg h GLU 12 CO 0.01 0.05 -0.19 1.25 -1.18 0.00 0.00 179.01 178.95 2jmg h LEU 13 N 0.00 0.00 -0.62 1.64 5.85 0.30 -1.80 115.31 120.68 2jmg h LEU 13 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2jmg h LEU 13 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2jmg h LEU 13 CO 0.01 0.19 0.04 -0.78 -0.34 0.00 0.00 178.44 177.55 2jmg h ASP 14 N 0.00 1.04 0.23 1.25 1.82 -0.87 -2.01 116.42 117.89 2jmg h ASP 14 Ca -0.00 -0.29 -0.32 0.00 -0.39 0.00 0.00 57.03 56.03 2jmg h ASP 14 Cb 0.57 -0.28 0.03 0.00 0.68 0.00 0.00 39.33 40.33 2jmg h ASP 14 CO 0.02 1.07 -1.42 0.11 -1.61 0.00 0.00 179.24 177.42 2jmg h LYS 15 N 0.98 0.49 -0.80 0.28 6.56 -1.64 -2.92 116.57 119.52 2jmg h LYS 15 Ca 0.18 -0.83 0.08 0.00 -1.06 0.00 0.00 60.65 59.02 2jmg h LYS 15 Cb 0.51 0.31 -0.05 0.00 -0.57 0.00 0.00 32.23 32.43 2jmg h LYS 15 CO 0.02 1.40 0.52 2.35 -2.06 0.00 0.00 179.45 181.68 2jmg h TRP 16 N 0.05 0.84 -0.01 -1.35 2.91 -1.31 0.12 115.95 117.20 2jmg h TRP 16 Ca -0.25 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.79 2jmg h TRP 16 Cb 2.08 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 30.45 2jmg h TRP 16 CO 0.14 0.42 -0.17 0.39 -1.03 0.00 0.00 178.44 178.19 2jmg n GLU 17 N -4.49 0.90 0.19 2.65 1.02 -0.76 -3.66 120.64 116.49 2jmg n GLU 17 Ca 0.12 -0.47 0.09 0.00 -0.02 0.00 0.00 57.16 56.89 2jmg n GLU 17 Cb 0.26 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.31 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 1.14 0.00 -6.14 3.49 3.11 -0.55 -3.42 116.57 114.20 2jmg h LYS 18 Ca 0.00 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.27 2jmg h LYS 18 Cb 0.45 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.63 2jmg h LYS 18 CO 0.00 0.14 0.53 0.42 -2.81 0.00 0.00 179.45 177.73 2jmg s ILE 19 N -3.14 4.81 -0.06 2.00 1.09 -1.16 -4.97 121.20 119.77 2jmg s ILE 19 Ca 0.06 1.90 -0.19 0.00 -1.10 0.00 0.00 60.65 61.32 2jmg s ILE 19 Cb 0.06 -4.25 -0.05 0.00 -1.06 0.00 0.00 42.46 37.16 2jmg s ILE 19 CO 0.70 -0.00 0.52 -0.13 -0.10 0.00 0.00 174.94 175.93 2jmg s ARG 20 N 2.15 4.27 0.18 2.79 0.52 -1.26 -2.43 118.95 125.17 2jmg s ARG 20 Ca 0.45 0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 56.10 2jmg s ARG 20 Cb -0.17 -3.37 0.13 0.00 0.52 0.00 0.00 34.95 32.06 2jmg s ARG 20 CO 0.15 0.31 1.80 -0.07 0.02 0.00 0.00 175.30 177.51 2jmg h LEU 21 N 6.02 0.46 -9.88 2.53 3.38 -0.72 -0.31 115.31 116.79 2jmg h LEU 21 Ca -0.44 0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.03 2jmg h LEU 21 Cb 1.19 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2jmg h LEU 21 CO 0.71 0.32 -0.53 -0.13 0.09 0.00 0.00 178.44 178.90 2jmg s ARG 22 N -6.13 2.92 0.01 1.13 3.00 -1.26 -3.45 118.95 115.17 2jmg s ARG 22 Ca -0.13 -1.03 -0.23 0.00 0.00 0.00 0.00 55.73 54.34 2jmg s ARG 22 Cb 0.14 -2.57 -0.18 0.00 0.00 0.00 0.00 34.95 32.34 2jmg s ARG 22 CO 0.74 0.41 1.30 -1.00 0.00 0.00 0.00 175.30 176.76 2jmg h PRO 23 N 1.63 0.17 -0.33 3.54 0.13 -1.90 -3.31 132.00 131.94 2jmg h PRO 23 Ca -0.48 -0.09 -0.17 0.00 -0.87 0.00 0.00 66.00 64.39 2jmg h PRO 23 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2jmg h PRO 23 CO 0.61 0.61 -0.12 0.41 -0.23 0.00 0.00 178.00 179.28 2jmg n GLY 24 N 0.21 4.92 0.00 1.56 0.00 -1.26 -4.95 105.19 105.67 2jmg n GLY 24 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.12 3.30 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.04 2jmg n GLY 25 Ca 0.32 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.44 -0.25 -2.71 1.61 4.01 -1.26 -4.90 118.16 114.22 2jmg n LYS 26 Ca 0.00 -0.65 -0.35 0.00 -0.51 0.00 0.00 58.31 56.80 2jmg n LYS 26 Cb 0.00 -0.97 -0.06 0.00 -0.51 0.00 0.00 35.03 33.49 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2jmg s LYS 27 N -0.17 4.26 0.02 1.97 1.02 -1.26 -4.97 119.74 120.61 2jmg s LYS 27 Ca 0.00 1.30 0.00 0.00 0.02 0.00 0.00 55.97 57.29 2jmg s LYS 27 Cb 0.00 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 2jmg s LYS 27 CO 0.00 -0.02 0.02 1.04 -0.92 0.00 0.00 175.35 175.47 2jmg n GLN 28 N -0.22 0.10 -3.72 1.68 3.00 -1.26 -0.06 117.38 116.90 2jmg n GLN 28 Ca 0.05 -0.22 -0.31 0.00 -0.01 0.00 0.00 57.00 56.52 2jmg n GLN 28 Cb 0.52 0.17 -0.04 0.00 0.00 0.00 0.00 30.24 30.88 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 -2.05 3.48 0.27 1.08 2.02 -1.02 -4.58 117.35 116.55 2jmg s TYR 29 Ca 0.02 0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 57.19 2jmg s TYR 29 Cb 0.00 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2jmg s TYR 29 CO 0.02 0.46 0.29 0.15 -1.57 0.00 0.00 175.55 174.90 2jmg s LYS 30 N -2.68 1.53 0.51 -0.62 1.02 -1.26 -4.22 119.74 114.01 2jmg s LYS 30 Ca 0.40 -1.68 0.25 0.00 0.02 0.00 0.00 55.97 54.95 2jmg s LYS 30 Cb -0.12 0.35 1.33 0.00 -0.52 0.00 0.00 37.83 38.87 2jmg s LYS 30 CO 0.26 -0.57 1.95 -0.07 -0.92 0.00 0.00 175.35 175.99 2jmg h LEU 31 N 2.34 0.10 -0.83 3.17 4.07 -1.99 -1.15 115.31 121.03 2jmg h LEU 31 Ca -0.30 0.01 0.19 0.00 0.08 0.00 0.00 57.88 57.86 2jmg h LEU 31 Cb 1.24 -0.01 -0.12 0.00 1.08 0.00 0.00 40.66 42.85 2jmg h LEU 31 CO 0.43 0.05 0.28 0.11 -1.08 0.00 0.00 178.44 178.23 2jmg h LYS 32 N 0.10 0.32 -0.18 1.13 1.57 -2.00 -0.44 116.57 117.08 2jmg h LYS 32 Ca 0.33 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 2jmg h LYS 32 Cb 1.16 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2jmg h LYS 32 CO -0.04 0.21 -0.43 0.45 -0.57 0.00 0.00 179.45 179.07 2jmg h HIS 33 N 0.33 0.79 -0.80 -1.35 3.86 -1.62 -1.74 115.15 114.61 2jmg h HIS 33 Ca 0.49 -0.30 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 2jmg h HIS 33 Cb 0.90 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.17 2jmg h HIS 33 CO -0.21 1.06 0.52 0.82 0.86 0.00 0.00 177.93 180.99 2jmg h ILE 34 N 0.29 0.97 0.21 2.45 2.04 -1.13 0.32 117.51 122.65 2jmg h ILE 34 Ca -0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jmg h ILE 34 Cb 1.04 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2jmg h ILE 34 CO 0.09 0.14 -0.10 0.58 0.00 0.00 0.00 178.15 178.87 2jmg h VAL 35 N 0.77 0.27 -0.37 1.67 2.07 -1.16 -2.05 116.25 117.45 2jmg h VAL 35 Ca 0.37 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 67.03 2jmg h VAL 35 Cb 0.40 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2jmg h VAL 35 CO -0.14 0.08 -0.01 -0.25 0.02 0.00 0.00 177.57 177.27 2jmg h TRP 36 N -1.03 -0.03 0.18 1.57 7.01 -1.17 -0.42 115.95 122.05 2jmg h TRP 36 Ca -0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2jmg h TRP 36 Cb 0.34 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 2jmg h TRP 36 CO 0.03 -0.08 -0.09 0.00 -2.79 0.00 0.00 178.44 175.52 2jmg h ALA 37 N 1.32 -0.25 -0.48 2.65 0.00 -0.49 0.33 119.26 122.35 2jmg h ALA 37 Ca 0.18 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2jmg h ALA 37 Cb 0.25 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jmg h ALA 37 CO -0.30 -0.64 0.34 1.03 0.00 0.00 0.00 179.25 179.68 2jmg h SER 38 N -0.25 0.07 0.04 0.00 0.87 -0.95 -1.29 113.55 112.04 2jmg h SER 38 Ca -0.02 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 2jmg h SER 38 Cb 0.19 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2jmg h SER 38 CO 0.04 0.04 -0.38 -0.09 -0.53 0.00 0.00 176.83 175.91 2jmg h ARG 39 N 0.08 0.08 -0.79 2.24 2.43 -0.45 -3.34 114.38 114.64 2jmg h ARG 39 Ca 0.23 -0.14 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 2jmg h ARG 39 Cb 0.81 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.32 2jmg h ARG 39 CO -0.02 1.07 0.36 1.49 -1.51 0.00 0.00 179.97 181.36 2jmg h GLU 40 N -0.81 0.52 -1.00 0.20 4.57 0.25 -0.07 114.58 118.24 2jmg h GLU 40 Ca -0.08 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.26 2jmg h GLU 40 Cb 1.22 -0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 29.59 2jmg h GLU 40 CO 0.02 0.35 0.61 -0.07 -1.18 0.00 0.00 179.01 178.74 2jmg h LEU 41 N 0.54 0.78 -2.15 1.64 3.38 -1.38 0.42 115.31 118.53 2jmg h LEU 41 Ca 0.43 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.53 2jmg h LEU 41 Cb 0.60 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jmg h LEU 41 CO -0.37 0.27 0.10 -0.08 0.09 0.00 0.00 178.44 178.45 2jmg h GLU 42 N 0.75 0.00 0.00 1.13 4.81 -0.70 0.13 114.58 120.70 2jmg h GLU 42 Ca 0.58 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2jmg h GLU 42 Cb 0.92 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 2jmg h GLU 42 CO -0.38 0.00 -1.08 0.00 -0.73 0.00 0.00 179.01 176.82 2jmg h ARG 43 N 0.00 0.00 -1.19 1.92 3.08 -0.21 -3.33 114.38 114.66 2jmg h ARG 43 Ca 0.06 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.76 2jmg h ARG 43 Cb 0.26 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.14 2jmg h ARG 43 CO -0.00 0.38 0.44 1.19 -1.07 0.00 0.00 179.97 180.91 2jmg n PHE 44 N -3.01 1.83 -1.68 3.04 3.72 -0.18 -4.82 117.46 116.35 2jmg n PHE 44 Ca -0.05 -1.68 -0.11 0.00 -0.05 0.00 0.00 57.45 55.56 2jmg n PHE 44 Cb 0.80 -0.83 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jmg n ALA 45 N -0.21 -0.37 -3.88 4.37 0.00 -1.18 -4.90 120.51 114.33 2jmg n ALA 45 Ca 0.36 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.60 2jmg n ALA 45 Cb 0.92 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.11 2.55 0.34 0.00 1.01 0.27 -5.03 120.40 117.44 2jmg s VAL 46 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2jmg s VAL 46 Cb 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 36.38 34.00 2jmg s VAL 46 CO 0.00 0.27 1.45 0.59 0.00 0.00 0.00 175.10 177.41 2jmg n ASN 47 N 4.62 3.47 0.00 3.32 4.13 -1.26 -2.52 115.26 127.02 2jmg n ASN 47 Ca -0.17 1.20 0.07 0.00 1.68 0.00 0.00 54.58 57.36 2jmg n ASN 47 Cb 0.47 -1.57 0.37 0.00 -1.54 0.00 0.00 39.78 37.52 2jmg n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2jmg n PRO 48 N 0.89 0.21 -0.01 3.52 -0.04 -1.26 -2.53 135.00 135.79 2jmg n PRO 48 Ca 0.04 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2jmg n PRO 48 Cb 0.37 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.71 0.91 0.55 0.00 -1.26 -3.49 105.19 101.16 2jmg n GLY 49 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.62 2.56 -0.47 0.99 4.77 -1.05 -3.54 117.00 119.63 2jmg n LEU 50 Ca 0.20 -1.29 0.09 0.00 -0.03 0.00 0.00 56.01 54.98 2jmg n LEU 50 Cb 0.16 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.84 2jmg n LEU 50 CO 0.15 0.43 0.34 0.18 -1.33 0.00 0.00 177.39 177.16 2jmg n LEU 51 N 0.36 1.90 -2.54 2.23 4.77 -1.23 -2.01 117.00 120.48 2jmg n LEU 51 Ca 0.12 -0.83 -0.33 0.00 -0.03 0.00 0.00 56.01 54.94 2jmg n LEU 51 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2jmg n LEU 51 CO 0.12 0.35 0.91 -1.84 -1.33 0.00 0.00 177.39 175.60 2jmg n GLU 52 N 0.19 3.08 -3.26 3.23 0.28 -1.23 -4.91 120.64 118.01 2jmg n GLU 52 Ca 0.08 -3.88 0.03 0.00 -0.16 0.00 0.00 57.16 53.23 2jmg n GLU 52 Cb 0.38 -2.27 -0.04 0.00 1.43 0.00 0.00 31.44 30.94 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 -5.10 -0.12 0.48 3.84 -1.32 -1.26 -4.97 115.64 107.19 2jmg s THR 53 Ca 0.53 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.24 2jmg s THR 53 Cb 0.44 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.83 2jmg s THR 53 CO -0.20 0.00 1.92 0.77 -2.21 0.00 0.00 174.62 174.90 2jmg h SER 54 N 6.94 0.18 1.35 8.08 4.64 -1.89 0.40 113.55 133.26 2jmg h SER 54 Ca -0.15 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 2jmg h SER 54 Cb 1.13 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2jmg h SER 54 CO 0.08 0.08 -0.67 -0.33 -0.87 0.00 0.00 176.83 175.13 2jmg h GLU 55 N 0.19 0.00 0.03 4.77 4.39 -1.95 -3.26 114.58 118.75 2jmg h GLU 55 Ca 0.37 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.84 2jmg h GLU 55 Cb 1.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 2jmg h GLU 55 CO -0.07 0.25 -1.13 0.78 -1.16 0.00 0.00 179.01 177.67 2jmg h GLY 56 N 3.75 0.08 0.46 -3.84 0.00 -0.56 -3.21 103.07 99.75 2jmg h GLY 56 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2jmg h GLY 56 CO 0.03 0.17 -0.22 0.00 0.00 0.00 0.00 176.54 176.53 2jmg h ARG 58 N -1.02 0.12 -0.21 0.00 2.47 -1.73 0.51 114.38 114.52 2jmg h ARG 58 Ca -0.06 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2jmg h ARG 58 Cb 0.47 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2jmg h ARG 58 CO 0.10 0.08 0.02 1.96 0.56 0.00 0.00 179.97 182.69 2jmg h GLN 59 N 0.12 0.31 -0.39 0.04 1.08 -1.54 -2.58 115.11 112.14 2jmg h GLN 59 Ca 0.51 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.61 2jmg h GLN 59 Cb 1.78 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.14 2jmg h GLN 59 CO -0.08 0.31 0.04 0.82 -0.95 0.00 0.00 178.83 178.97 2jmg h ILE 60 N 0.30 1.25 -0.22 2.54 2.04 0.05 -2.56 117.51 120.90 2jmg h ILE 60 Ca 0.07 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.07 2jmg h ILE 60 Cb 0.17 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2jmg h ILE 60 CO 0.00 0.31 0.24 -0.07 0.00 0.00 0.00 178.15 178.63 2jmg h LEU 61 N 0.50 0.00 -1.00 1.44 3.38 -1.44 0.62 115.31 118.80 2jmg h LEU 61 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2jmg h LEU 61 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2jmg h LEU 61 CO 0.01 0.00 -0.45 1.23 0.09 0.00 0.00 178.44 179.33 2jmg h GLY 62 N 0.00 0.00 2.00 0.83 0.00 -1.42 0.52 103.07 104.99 2jmg h GLY 62 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jmg h GLY 62 CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2jmg n GLN 63 N -3.76 0.10 -0.00 4.80 1.13 0.21 -3.31 117.38 116.55 2jmg n GLN 63 Ca -0.01 0.16 0.01 0.00 -1.94 0.00 0.00 57.00 55.22 2jmg n GLN 63 Cb 0.51 -1.63 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 2jmg n GLN 63 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jmg n LEU 64 N -1.80 0.03 0.02 1.08 4.77 -0.99 -4.69 117.00 115.41 2jmg n LEU 64 Ca 0.05 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 2jmg n LEU 64 Cb 0.32 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2jmg n LEU 64 CO 0.24 0.01 0.53 1.56 -1.33 0.00 0.00 177.39 178.40 2jmg h GLN 65 N 0.00 -0.57 0.00 3.23 4.20 0.03 0.57 115.11 122.57 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 0.08 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2jmg h GLN 65 CO 0.00 -0.38 0.00 -0.35 -0.67 0.00 0.00 178.83 177.43 2jmg n PRO 66 N -5.45 0.49 -0.00 1.46 -0.04 -1.26 -1.90 135.00 128.30 2jmg n PRO 66 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2jmg n PRO 66 Cb 0.38 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.92 1.15 -0.32 3.54 7.64 0.67 -4.62 113.62 120.76 2jmg n SER 67 Ca 0.10 -0.48 -0.02 0.00 1.01 0.00 0.00 58.87 59.48 2jmg n SER 67 Cb 0.05 1.08 0.10 0.00 -1.01 0.00 0.00 64.21 64.43 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 0.95 -0.92 -3.43 3.38 0.67 0.31 115.31 116.28 2jmg h LEU 68 Ca 0.00 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2jmg h LEU 68 Cb 0.18 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.60 2jmg h LEU 68 CO 0.00 0.66 0.48 -0.61 0.09 0.00 0.00 178.44 179.07 2jmg h GLN 69 N 1.11 0.56 -1.61 1.13 4.15 -1.82 -2.99 115.11 115.64 2jmg h GLN 69 Ca 0.34 -0.03 -0.47 0.00 0.77 0.00 0.00 58.65 59.26 2jmg h GLN 69 Cb -0.03 -0.13 -0.41 0.00 0.21 0.00 0.00 27.48 27.13 2jmg h GLN 69 CO -0.10 0.37 -1.05 0.25 -1.93 0.00 0.00 178.83 176.36 2jmg n THR 70 N -4.91 1.08 -4.90 2.39 -2.24 -0.82 -5.09 114.28 99.80 2jmg n THR 70 Ca 0.21 -4.22 -0.33 0.00 -2.27 0.00 0.00 64.05 57.44 2jmg n THR 70 Cb 0.58 -0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.99 1.52 1.10 3.38 0.00 0.10 -4.99 107.32 105.45 2jmg s GLY 71 Ca 0.38 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 2jmg s GLY 71 CO -0.06 -0.71 1.06 -1.35 0.00 0.00 0.00 173.10 172.03 2jmg s SER 72 N -0.61 1.42 0.36 1.64 1.04 -1.26 -4.82 113.70 111.47 2jmg s SER 72 Ca 0.09 1.69 0.26 0.00 0.48 0.00 0.00 55.95 58.48 2jmg s SER 72 Cb -0.11 -2.38 1.24 0.00 0.10 0.00 0.00 66.02 64.87 2jmg s SER 72 CO 0.01 -3.95 1.80 -0.08 0.98 0.00 0.00 173.24 171.99 2jmg h GLU 73 N -2.45 0.00 0.00 4.02 4.81 -2.00 -1.48 114.58 117.47 2jmg h GLU 73 Ca -0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2jmg h GLU 73 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2jmg h GLU 73 CO 0.48 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.85 2jmg n GLU 74 N -2.45 0.23 -0.09 1.92 4.07 -1.26 -3.14 120.64 119.92 2jmg n GLU 74 Ca 0.00 0.33 -0.13 0.00 -0.06 0.00 0.00 57.16 57.30 2jmg n GLU 74 Cb 0.16 -1.84 -0.14 0.00 -0.06 0.00 0.00 31.44 29.55 2jmg n GLU 74 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2jmg n LEU 75 N -2.25 1.27 -0.08 4.31 0.00 -0.56 -4.31 117.00 115.37 2jmg n LEU 75 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 56.01 56.10 2jmg n LEU 75 Cb 0.32 -0.12 0.30 0.00 0.00 0.00 0.00 43.42 43.92 2jmg n LEU 75 CO 0.25 0.65 1.08 0.03 0.00 0.00 0.00 177.39 179.39 2jmg h ARG 76 N 0.01 0.70 0.00 1.96 2.47 -1.50 -1.69 114.38 116.33 2jmg h ARG 76 Ca -0.50 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.12 2jmg h ARG 76 Cb 2.09 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 30.27 2jmg h ARG 76 CO 0.01 0.56 -0.05 0.77 0.56 0.00 0.00 179.97 181.82 2jmg h SER 77 N 0.70 0.00 0.09 7.04 0.02 -1.73 -2.42 113.55 117.25 2jmg h SER 77 Ca 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2jmg h SER 77 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2jmg h SER 77 CO -0.02 0.05 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.61 2jmg h LEU 78 N 0.00 -0.10 -0.69 5.07 -0.00 -1.52 -3.24 115.31 114.83 2jmg h LEU 78 Ca -0.00 -0.43 0.15 0.00 -0.00 0.00 0.00 57.88 57.60 2jmg h LEU 78 Cb 0.09 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 40.66 2jmg h LEU 78 CO 0.01 0.55 -0.05 0.22 -0.00 0.00 0.00 178.44 179.17 2jmg h TYR 79 N -0.93 -0.14 0.00 1.13 5.03 -1.32 0.15 116.97 120.89 2jmg h TYR 79 Ca -0.01 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2jmg h TYR 79 Cb 0.53 0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.97 2jmg h TYR 79 CO 0.11 -0.23 0.00 0.09 -1.32 0.00 0.00 178.16 176.81 2jmg n ASN 80 N -5.36 0.00 0.07 -2.11 3.02 -0.93 -0.47 115.26 109.49 2jmg n ASN 80 Ca 0.11 0.98 -0.14 0.00 -0.03 0.00 0.00 54.58 55.49 2jmg n ASN 80 Cb 0.40 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.02 2jmg n ASN 80 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2jmg h THR 81 N 0.00 0.13 -0.90 3.41 2.02 -1.50 -1.84 112.91 114.23 2jmg h THR 81 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2jmg h THR 81 Cb 0.00 0.13 -0.17 0.00 -1.74 0.00 0.00 68.15 66.38 2jmg h THR 81 CO 0.00 0.00 -0.08 0.40 0.37 0.00 0.00 175.52 176.21 2jmg h ILE 82 N -0.60 0.13 -0.41 3.11 2.04 -0.63 0.39 117.51 121.54 2jmg h ILE 82 Ca 0.04 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2jmg h ILE 82 Cb 0.67 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2jmg h ILE 82 CO -0.31 0.01 0.13 0.00 0.00 0.00 0.00 178.15 177.97 2jmg h ALA 83 N 1.89 0.47 0.45 1.87 0.00 0.05 -2.55 119.26 121.44 2jmg h ALA 83 Ca 0.49 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2jmg h ALA 83 Cb 0.89 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jmg h ALA 83 CO -0.87 -0.27 -0.22 0.28 0.00 0.00 0.00 179.25 178.18 2jmg h VAL 84 N 0.28 0.55 -1.03 0.00 2.07 0.13 -2.82 116.25 115.43 2jmg h VAL 84 Ca 0.19 -0.16 0.37 0.00 0.82 0.00 0.00 66.70 67.92 2jmg h VAL 84 Cb 0.19 0.63 -0.16 0.00 -1.52 0.00 0.00 31.29 30.43 2jmg h VAL 84 CO -0.21 0.03 0.58 0.25 0.02 0.00 0.00 177.57 178.25 2jmg h LEU 85 N -0.70 0.42 -0.80 2.57 5.85 -0.79 0.71 115.31 122.57 2jmg h LEU 85 Ca -0.06 0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2jmg h LEU 85 Cb 0.51 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 2jmg h LEU 85 CO 0.10 -0.25 0.43 0.22 -0.34 0.00 0.00 178.44 178.60 2jmg h TYR 86 N 0.18 0.77 0.00 1.25 3.20 -1.19 0.95 116.97 122.13 2jmg h TYR 86 Ca 0.78 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.63 2jmg h TYR 86 Cb 1.97 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 2jmg h TYR 86 CO -0.01 0.26 -0.28 0.00 -1.64 0.00 0.00 178.16 176.49 2jmg h VAL 88 N 0.00 1.18 0.01 0.00 2.07 -0.46 0.43 116.25 119.48 2jmg h VAL 88 Ca -0.00 -1.23 -0.35 0.00 0.82 0.00 0.00 66.70 65.93 2jmg h VAL 88 Cb 0.69 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 2jmg h VAL 88 CO 0.04 0.34 -2.21 1.41 0.02 0.00 0.00 177.57 177.17 2jmg n HIS 89 N -4.01 0.33 1.17 1.57 -0.00 -1.02 -4.26 115.22 108.99 2jmg n HIS 89 Ca -0.02 0.11 0.13 0.00 -0.00 0.00 0.00 57.72 57.93 2jmg n HIS 89 Cb 0.40 -1.06 0.30 0.00 -0.00 0.00 0.00 29.99 29.64 2jmg n HIS 89 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2jmg n GLN 90 N -2.94 0.72 -3.17 -0.41 -0.06 -0.33 -4.87 117.38 106.33 2jmg n GLN 90 Ca -0.31 -0.46 -0.14 0.00 -2.00 0.00 0.00 57.00 54.10 2jmg n GLN 90 Cb 1.10 -1.49 0.07 0.00 -4.06 0.00 0.00 30.24 25.87 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 -0.74 -5.39 -3.62 3.69 0.63 0.14 -4.99 116.66 106.38 2jmg n ARG 91 Ca 0.11 0.70 -0.38 0.00 -0.92 0.00 0.00 57.85 57.36 2jmg n ARG 91 Cb 0.36 -5.27 -0.11 0.00 0.45 0.00 0.00 32.46 27.89 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 -3.30 5.11 0.43 5.15 1.01 -0.43 -5.04 121.20 124.13 2jmg s ILE 92 Ca 0.01 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 2jmg s ILE 92 Cb -0.00 -3.45 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 2jmg s ILE 92 CO 0.60 0.23 0.73 -0.67 0.00 0.00 0.00 174.94 175.84 2jmg n ASP 93 N 5.04 -0.04 -3.31 3.58 2.03 -1.26 -4.78 116.55 117.80 2jmg n ASP 93 Ca -0.14 0.95 -0.03 0.00 0.52 0.00 0.00 54.79 56.09 2jmg n ASP 93 Cb 0.52 -1.21 -0.05 0.00 -0.72 0.00 0.00 41.12 39.65 2jmg n ASP 93 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jmg s VAL 94 N -1.40 -0.80 -0.18 5.18 -7.23 -1.26 -4.70 120.40 110.00 2jmg s VAL 94 Ca 0.64 -0.01 0.27 0.00 -1.81 0.00 0.00 61.98 61.07 2jmg s VAL 94 Cb -0.58 -0.89 0.35 0.00 0.56 0.00 0.00 36.38 35.82 2jmg s VAL 94 CO 0.57 -0.04 1.77 0.50 -0.31 0.00 0.00 175.10 177.58 2jmg h LYS 95 N 8.09 0.00 -2.25 4.82 3.64 -1.94 -3.44 116.57 125.49 2jmg h LYS 95 Ca -0.21 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.46 2jmg h LYS 95 Cb 1.15 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 2jmg h LYS 95 CO 0.24 0.02 0.80 0.16 -2.27 0.00 0.00 179.45 178.40 2jmg s ASP 96 N -6.00 0.00 0.59 4.20 1.47 -1.26 -4.22 116.67 111.45 2jmg s ASP 96 Ca 0.04 -0.36 0.28 0.00 1.18 0.00 0.00 52.55 53.70 2jmg s ASP 96 Cb 0.07 0.26 1.61 0.00 -0.34 0.00 0.00 42.92 44.53 2jmg s ASP 96 CO 0.62 -0.53 2.06 0.74 0.68 0.00 0.00 175.17 178.74 2jmg h THR 97 N 2.00 0.47 0.00 2.11 2.02 -1.07 -2.14 112.91 116.29 2jmg h THR 97 Ca -0.24 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 2jmg h THR 97 Cb 1.20 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2jmg h THR 97 CO 0.33 0.00 -0.34 0.50 0.37 0.00 0.00 175.52 176.38 2jmg h LYS 98 N 0.00 0.00 -1.05 6.66 1.63 -1.86 -3.32 116.57 118.63 2jmg h LYS 98 Ca 0.11 0.00 0.27 0.00 -0.85 0.00 0.00 60.65 60.19 2jmg h LYS 98 Cb 0.62 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.16 2jmg h LYS 98 CO -0.00 0.83 0.69 0.93 -3.45 0.00 0.00 179.45 178.44 2jmg h GLU 99 N -1.00 0.30 0.31 1.90 4.39 -1.79 -0.51 114.58 118.18 2jmg h GLU 99 Ca -0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2jmg h GLU 99 Cb 0.93 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2jmg h GLU 99 CO -0.05 0.20 -0.15 0.00 -1.16 0.00 0.00 179.01 177.85 2jmg h ALA 100 N 1.59 -0.42 -0.01 3.43 0.00 -1.53 -1.97 119.26 120.35 2jmg h ALA 100 Ca 0.57 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.43 2jmg h ALA 100 Cb 1.61 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2jmg h ALA 100 CO -0.23 -0.74 -0.35 -0.07 0.00 0.00 0.00 179.25 177.86 2jmg h LEU 101 N -0.42 -1.05 0.00 0.00 -0.00 -1.20 0.36 115.31 113.01 2jmg h LEU 101 Ca -0.04 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2jmg h LEU 101 Cb 0.32 0.42 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2jmg h LEU 101 CO 0.07 -0.40 0.00 -0.67 -0.00 0.00 0.00 178.44 177.43 2jmg n ASP 102 N -5.42 0.00 -0.11 -0.43 2.03 -1.05 -1.49 116.55 110.08 2jmg n ASP 102 Ca -0.05 0.24 -0.21 0.00 0.52 0.00 0.00 54.79 55.29 2jmg n ASP 102 Cb 0.34 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.36 2jmg n ASP 102 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2jmg n LYS 103 N -1.29 0.55 -0.04 -0.67 3.00 0.11 -3.33 118.16 116.49 2jmg n LYS 103 Ca 0.02 0.42 -0.03 0.00 -0.00 0.00 0.00 58.31 58.72 2jmg n LYS 103 Cb 0.03 -1.62 0.21 0.00 0.00 0.00 0.00 35.03 33.66 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 -1.00 1.24 0.02 3.15 2.04 -0.62 -2.35 117.51 119.99 2jmg h ILE 104 Ca -0.39 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 2jmg h ILE 104 Cb 1.27 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2jmg h ILE 104 CO -0.24 0.34 -0.01 -0.08 0.00 0.00 0.00 178.15 178.17 2jmg h GLU 105 N 0.58 -0.02 -0.95 2.37 4.57 -1.48 -3.05 114.58 116.60 2jmg h GLU 105 Ca 0.11 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.43 2jmg h GLU 105 Cb 0.49 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.99 2jmg h GLU 105 CO 0.03 0.53 0.57 0.93 -1.18 0.00 0.00 179.01 179.88 2jmg h GLU 106 N -0.59 0.82 0.00 1.92 4.39 -1.54 0.25 114.58 119.83 2jmg h GLU 106 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2jmg h GLU 106 Cb 0.56 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2jmg h GLU 106 CO 0.00 0.54 -0.12 0.93 -1.16 0.00 0.00 179.01 179.21 2jmg h GLU 107 N 0.85 0.00 0.06 2.33 5.08 -1.44 -2.22 114.58 119.24 2jmg h GLU 107 Ca 0.50 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.61 2jmg h GLU 107 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jmg h GLU 107 CO -0.31 0.12 -1.07 1.96 -1.00 0.00 0.00 179.01 178.71 2jmg h GLN 108 N 0.00 0.29 0.00 2.33 4.20 -0.41 -3.22 115.11 118.31 2jmg h GLN 108 Ca -0.00 -0.40 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 2jmg h GLN 108 Cb 0.30 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2jmg h GLN 108 CO 0.02 1.13 -0.33 -0.91 -0.67 0.00 0.00 178.83 178.06 2jmg h ASN 109 N 0.13 0.00 0.77 1.46 4.21 -0.78 0.10 115.58 121.47 2jmg h ASN 109 Ca -0.10 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.33 2jmg h ASN 109 Cb 1.76 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.95 2jmg h ASN 109 CO 0.18 0.33 -0.38 0.50 -1.29 0.00 0.00 177.43 176.77 2jmg h LYS 110 N 0.00 0.00 0.00 0.81 3.64 -1.49 -3.39 116.57 116.14 2jmg h LYS 110 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jmg h LYS 110 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2jmg h LYS 110 CO 0.04 0.38 0.00 0.45 -2.27 0.00 0.00 179.45 178.05 2jmg n SER 111 N -3.60 0.00 -2.44 4.20 2.88 -0.99 -4.96 113.62 108.71 2jmg n SER 111 Ca -0.01 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.42 2jmg n SER 111 Cb 0.49 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 2jmg n SER 111 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jmg n LYS 112 N -1.92 -2.29 0.00 -1.46 4.81 -0.01 -4.23 118.16 113.06 2jmg n LYS 112 Ca 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2jmg n LYS 112 Cb 0.00 -5.13 0.00 0.00 0.02 0.00 0.00 35.03 29.92 2jmg n LYS 112 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jmg n LYS 113 N -2.77 0.00 0.06 1.64 4.81 -1.26 -4.94 118.16 115.70 2jmg n LYS 113 Ca -0.13 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.42 2jmg n LYS 113 Cb 0.60 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.72 2jmg n LYS 113 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jmg n LYS 114 N -0.80 0.40 -0.13 1.64 5.02 -1.26 -1.83 118.16 121.19 2jmg n LYS 114 Ca 0.00 0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 2jmg n LYS 114 Cb 0.00 -1.70 0.03 0.00 -0.02 0.00 0.00 35.03 33.34 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmg h ALA 115 N 2.35 0.32 0.00 7.82 0.00 -1.92 -3.41 119.26 124.42 2jmg h ALA 115 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jmg h ALA 115 Cb 0.83 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2jmg h ALA 115 CO 0.00 -0.44 -0.02 0.94 0.00 0.00 0.00 179.25 179.73 2jmg n GLN 116 N -5.29 0.09 -0.05 0.00 7.27 -1.26 -5.01 117.38 113.13 2jmg n GLN 116 Ca 0.03 -0.09 -0.06 0.00 0.07 0.00 0.00 57.00 56.95 2jmg n GLN 116 Cb 0.23 0.13 -0.05 0.00 2.41 0.00 0.00 30.24 32.96 2jmg n GLN 116 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2jmg n GLN 117 N -0.10 0.96 0.23 3.69 7.27 -1.11 -4.58 117.38 123.75 2jmg n GLN 117 Ca -0.02 0.04 0.08 0.00 0.07 0.00 0.00 57.00 57.17 2jmg n GLN 117 Cb 0.48 -1.21 0.57 0.00 2.41 0.00 0.00 30.24 32.49 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmg h ALA 118 N 0.11 1.46 -1.00 1.69 0.00 -1.67 -2.72 119.26 117.13 2jmg h ALA 118 Ca -0.23 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 53.82 2jmg h ALA 118 Cb 1.40 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.86 2jmg h ALA 118 CO -0.02 0.24 0.81 0.00 0.00 0.00 0.00 179.25 180.28 2jmg n ALA 119 N -2.40 6.31 -1.90 0.00 0.00 -1.26 -4.21 120.51 117.04 2jmg n ALA 119 Ca -0.02 -3.65 -0.05 0.00 0.00 0.00 0.00 53.44 49.72 2jmg n ALA 119 Cb 0.28 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.82 2.73 -2.69 0.00 0.00 -1.03 -5.01 120.51 113.70 2jmg n ALA 120 Ca 0.60 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 2jmg n ALA 120 Cb 0.58 -0.28 0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -1.61 -4.78 0.00 2.03 -1.24 -5.04 116.55 105.91 2jmg n ASP 121 Ca -0.21 -2.46 -0.41 0.00 0.52 0.00 0.00 54.79 52.24 2jmg n ASP 121 Cb 0.60 1.39 0.00 0.00 -0.72 0.00 0.00 41.12 42.39 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 0.13 2.05 0.00 5.18 -4.23 -1.26 -4.70 115.64 112.81 2jmg s THR 122 Ca 0.21 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2jmg s THR 122 Cb 0.29 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2jmg s THR 122 CO -0.15 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 2jmg n GLY 123 N 0.49 -0.24 3.57 3.99 0.00 -1.26 -5.13 105.19 106.62 2jmg n GLY 123 Ca 0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2jmg n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jmg s ASN 124 N -4.00 4.11 -0.09 1.61 0.01 -1.26 -5.14 114.94 110.19 2jmg s ASN 124 Ca 0.00 -0.85 0.04 0.00 -0.71 0.00 0.00 52.86 51.34 2jmg s ASN 124 Cb 0.00 -0.58 -0.00 0.00 0.41 0.00 0.00 41.25 41.08 2jmg s ASN 124 CO 0.00 -0.02 -0.24 0.21 -1.51 0.00 0.00 177.10 175.54 2jmg s ASN 125 N -3.62 3.01 0.77 -1.22 2.47 -1.26 -5.13 114.94 109.96 2jmg s ASN 125 Ca 0.31 -0.54 -0.11 0.00 0.42 0.00 0.00 52.86 52.95 2jmg s ASN 125 Cb -0.05 -1.26 0.05 0.00 -1.45 0.00 0.00 41.25 38.54 2jmg s ASN 125 CO 0.18 0.17 1.08 -0.94 -3.72 0.00 0.00 177.10 173.87 2jmg s SER 126 N 0.26 4.63 0.93 -4.21 1.04 -1.26 -5.00 113.70 110.08 2jmg s SER 126 Ca -0.16 1.72 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 2jmg s SER 126 Cb -0.17 -2.46 0.15 0.00 0.10 0.00 0.00 66.02 63.64 2jmg s SER 126 CO 0.08 -1.94 1.14 -1.10 0.98 0.00 0.00 173.24 172.40 2jmg s GLN 127 N -4.95 0.91 0.81 4.02 1.11 -1.26 -4.97 119.66 115.32 2jmg s GLN 127 Ca 0.61 1.53 -0.10 0.00 0.01 0.00 0.00 55.36 57.40 2jmg s GLN 127 Cb -0.16 -1.72 0.08 0.00 -1.01 0.00 0.00 33.01 30.20 2jmg s GLN 127 CO 0.56 -2.70 1.11 0.14 0.01 0.00 0.00 175.29 174.40 2jmg s VAL 128 N -2.64 3.01 -0.03 1.09 -7.23 -1.26 -5.05 120.40 108.28 2jmg s VAL 128 Ca 0.67 0.33 0.05 0.00 -1.81 0.00 0.00 61.98 61.22 2jmg s VAL 128 Cb -0.23 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 2jmg s VAL 128 CO 0.58 -0.43 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.22 2jmg s SER 129 N -3.21 2.18 -0.84 4.85 0.15 -1.26 -5.08 113.70 110.49 2jmg s SER 129 Ca 0.63 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.94 2jmg s SER 129 Cb -0.19 -0.41 0.26 0.00 -1.71 0.00 0.00 66.02 63.98 2jmg s SER 129 CO 0.57 0.20 0.98 1.67 1.20 0.00 0.00 173.24 177.85 2jmg n GLN 130 N 2.85 3.14 -1.06 5.44 7.27 -1.26 -5.07 117.38 128.70 2jmg n GLN 130 Ca -0.16 -4.59 -0.31 0.00 0.07 0.00 0.00 57.00 52.01 2jmg n GLN 130 Cb 0.53 -2.38 0.13 0.00 2.41 0.00 0.00 30.24 30.93 2jmg n GLN 130 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2jmg s ASN 131 N -1.68 3.77 0.00 1.69 2.20 -1.26 -5.38 114.94 114.28 2jmg s ASN 131 Ca 0.34 1.88 0.00 0.00 -0.94 0.00 0.00 52.86 54.14 2jmg s ASN 131 Cb 0.06 -2.48 0.00 0.00 -2.00 0.00 0.00 41.25 36.83 2jmg s ASN 131 CO -0.01 -2.51 0.00 0.00 -2.94 0.00 0.00 177.10 171.64