#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 0.00 -0.90 4.61 0.00 -1.26 -5.08 120.51 117.88 2jmg n ALA 3 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2jmg n ALA 3 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.91 -0.15 -1.59 0.00 5.12 -1.26 -4.88 116.66 112.99 2jmg n ARG 4 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2jmg n ARG 4 Cb 0.00 -1.87 0.04 0.00 -1.16 0.00 0.00 32.46 29.48 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jmg n ALA 5 N -3.33 -0.01 -1.32 7.54 0.00 -1.26 -4.71 120.51 117.42 2jmg n ALA 5 Ca 0.08 0.03 0.17 0.00 0.00 0.00 0.00 53.44 53.72 2jmg n ALA 5 Cb 0.53 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.40 -7.91 0.00 0.00 3.41 -1.26 -4.98 113.62 102.48 2jmg n SER 6 Ca 0.13 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2jmg n SER 6 Cb 0.46 -4.29 0.00 0.00 -0.26 0.00 0.00 64.21 60.12 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 -4.16 0.00 -1.18 4.33 1.74 -1.26 -5.02 116.66 111.11 2jmg n ARG 7 Ca -0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 2jmg n ARG 7 Cb 0.62 -0.40 0.23 0.00 -1.02 0.00 0.00 32.46 31.90 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jmg s LEU 8 N -3.39 0.92 0.00 0.55 1.43 -1.26 -5.09 118.68 111.84 2jmg s LEU 8 Ca 0.00 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2jmg s LEU 8 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2jmg s LEU 8 CO 0.00 -3.98 0.03 -1.20 0.23 0.00 0.00 176.35 171.43 2jmg n SER 9 N -4.66 -0.10 -0.33 2.29 7.64 -1.26 -5.01 113.62 112.20 2jmg n SER 9 Ca 0.14 -1.13 0.13 0.00 1.01 0.00 0.00 58.87 59.01 2jmg n SER 9 Cb 0.60 0.18 0.32 0.00 -1.01 0.00 0.00 64.21 64.29 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 0.14 1.68 0.70 0.23 0.00 -1.98 0.38 103.07 104.22 2jmg h GLY 10 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2jmg h GLY 10 CO 0.03 -0.16 -0.45 -1.33 0.00 0.00 0.00 176.54 174.63 2jmg h GLY 11 N 0.60 -1.17 2.00 4.60 0.00 -2.02 -2.31 103.07 104.78 2jmg h GLY 11 Ca 0.57 0.51 -0.04 0.00 0.00 0.00 0.00 47.33 48.37 2jmg h GLY 11 CO -0.44 -0.39 -0.20 -2.09 0.00 0.00 0.00 176.54 173.43 2jmg h GLU 12 N -1.02 0.00 0.00 4.80 4.81 -1.82 -2.54 114.58 118.82 2jmg h GLU 12 Ca -0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2jmg h GLU 12 Cb 0.85 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2jmg h GLU 12 CO 0.02 0.20 -0.12 1.25 -0.73 0.00 0.00 179.01 179.63 2jmg h LEU 13 N 0.00 0.00 -0.68 1.64 5.85 0.19 -1.13 115.31 121.18 2jmg h LEU 13 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2jmg h LEU 13 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2jmg h LEU 13 CO 0.03 0.12 0.13 -0.78 -0.34 0.00 0.00 178.44 177.60 2jmg h ASP 14 N 0.00 1.06 0.38 1.25 1.82 -0.97 -1.30 116.42 118.66 2jmg h ASP 14 Ca -0.00 -0.25 -0.32 0.00 -0.39 0.00 0.00 57.03 56.07 2jmg h ASP 14 Cb 0.36 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.09 2jmg h ASP 14 CO 0.02 1.04 -1.56 0.11 -1.61 0.00 0.00 179.24 177.23 2jmg h LYS 15 N 1.04 0.33 -0.70 0.28 1.79 -1.61 -3.06 116.57 114.63 2jmg h LYS 15 Ca 0.21 -0.56 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2jmg h LYS 15 Cb 0.41 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2jmg h LYS 15 CO 0.01 1.22 0.40 2.35 -1.08 0.00 0.00 179.45 182.34 2jmg h TRP 16 N 0.09 0.94 -0.01 -1.35 2.91 -1.17 -0.97 115.95 116.39 2jmg h TRP 16 Ca -0.26 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.75 2jmg h TRP 16 Cb 2.05 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 30.40 2jmg h TRP 16 CO 0.08 0.64 -0.14 0.39 -1.03 0.00 0.00 178.44 178.38 2jmg n GLU 17 N -4.38 0.79 0.10 2.65 1.02 -0.49 -3.51 120.64 116.82 2jmg n GLU 17 Ca 0.07 -0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2jmg n GLU 17 Cb 0.09 -1.49 0.40 0.00 -0.02 0.00 0.00 31.44 30.41 2jmg n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jmg n LYS 18 N -0.81 0.26 -3.20 3.49 4.81 -0.37 -4.56 118.16 117.78 2jmg n LYS 18 Ca 0.14 0.21 -0.39 0.00 -0.87 0.00 0.00 58.31 57.40 2jmg n LYS 18 Cb 0.30 -1.80 -0.06 0.00 0.02 0.00 0.00 35.03 33.49 2jmg n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2jmg s ILE 19 N -3.10 5.12 -0.07 3.15 1.01 -1.22 -4.97 121.20 121.13 2jmg s ILE 19 Ca 0.10 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.72 2jmg s ILE 19 Cb 0.12 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2jmg s ILE 19 CO 0.60 0.27 0.49 -0.13 0.00 0.00 0.00 174.94 176.18 2jmg s ARG 20 N 0.85 4.26 0.17 2.79 3.00 -1.26 -2.37 118.95 126.40 2jmg s ARG 20 Ca 0.30 0.52 -0.14 0.00 0.00 0.00 0.00 55.73 56.41 2jmg s ARG 20 Cb -0.16 -3.37 0.09 0.00 0.00 0.00 0.00 34.95 31.50 2jmg s ARG 20 CO 0.13 0.30 1.81 -0.07 0.00 0.00 0.00 175.30 177.47 2jmg h LEU 21 N 6.09 0.48-10.17 2.53 3.38 -0.54 -2.14 115.31 114.94 2jmg h LEU 21 Ca -0.44 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.07 2jmg h LEU 21 Cb 1.19 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2jmg h LEU 21 CO 0.72 0.34 -0.40 -0.13 0.09 0.00 0.00 178.44 179.05 2jmg s ARG 22 N -6.14 2.91 -0.02 1.13 0.52 -1.26 -3.58 118.95 112.51 2jmg s ARG 22 Ca -0.13 -1.16 -0.25 0.00 -0.52 0.00 0.00 55.73 53.67 2jmg s ARG 22 Cb 0.13 -2.64 -0.19 0.00 0.52 0.00 0.00 34.95 32.76 2jmg s ARG 22 CO 0.74 0.08 1.22 -1.00 0.02 0.00 0.00 175.30 176.36 2jmg h PRO 23 N 1.08 -0.06 0.00 3.54 0.13 -1.89 -3.38 132.00 131.42 2jmg h PRO 23 Ca -0.45 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.43 2jmg h PRO 23 Cb 1.25 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2jmg h PRO 23 CO 0.56 0.40 -2.07 0.41 -0.23 0.00 0.00 178.00 177.07 2jmg n GLY 24 N 0.21 -0.80 3.20 1.56 0.00 -1.26 -4.90 105.19 103.20 2jmg n GLY 24 Ca -0.08 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 1.94 -2.67 0.90 -0.02 0.00 -1.26 -4.93 105.19 99.15 2jmg n GLY 25 Ca -0.23 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.79 3.04 -2.89 1.61 4.81 -1.26 -4.78 118.16 115.91 2jmg n LYS 26 Ca 0.04 -2.46 -0.34 0.00 -0.87 0.00 0.00 58.31 54.68 2jmg n LYS 26 Cb 0.53 -1.57 -0.07 0.00 0.02 0.00 0.00 35.03 33.94 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jmg s LYS 27 N -1.72 4.30 0.01 1.64 1.02 -1.26 -4.97 119.74 118.76 2jmg s LYS 27 Ca 0.35 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.42 2jmg s LYS 27 Cb 0.23 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2jmg s LYS 27 CO 0.16 0.13 0.01 1.04 -0.92 0.00 0.00 175.35 175.77 2jmg n GLN 28 N -0.11 0.33 -3.87 1.68 6.02 -1.26 0.13 117.38 120.29 2jmg n GLN 28 Ca 0.04 -0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.61 2jmg n GLN 28 Cb 0.52 0.08 -0.04 0.00 1.02 0.00 0.00 30.24 31.83 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 -1.89 3.51 0.22 1.08 2.02 -1.00 -4.48 117.35 116.82 2jmg s TYR 29 Ca 0.01 0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2jmg s TYR 29 Cb 0.00 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2jmg s TYR 29 CO 0.01 0.55 0.19 0.15 -1.57 0.00 0.00 175.55 174.88 2jmg s LYS 30 N -2.66 1.32 0.49 -0.62 1.02 -1.26 -4.26 119.74 113.77 2jmg s LYS 30 Ca 0.36 -1.65 0.27 0.00 0.02 0.00 0.00 55.97 54.97 2jmg s LYS 30 Cb -0.13 0.30 1.34 0.00 -0.52 0.00 0.00 37.83 38.83 2jmg s LYS 30 CO 0.28 -0.46 1.86 -0.07 -0.92 0.00 0.00 175.35 176.03 2jmg h LEU 31 N 2.51 0.16 -1.42 3.17 -0.00 -1.99 0.35 115.31 118.10 2jmg h LEU 31 Ca -0.33 0.02 0.34 0.00 -0.00 0.00 0.00 57.88 57.90 2jmg h LEU 31 Cb 1.25 -0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 41.80 2jmg h LEU 31 CO 0.49 0.05 0.75 0.50 -0.00 0.00 0.00 178.44 180.23 2jmg h LYS 32 N 0.15 0.24 0.02 1.13 3.64 -2.00 -0.43 116.57 119.34 2jmg h LYS 32 Ca 0.47 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.79 2jmg h LYS 32 Cb 1.61 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2jmg h LYS 32 CO -0.09 0.16 -0.23 0.45 -2.27 0.00 0.00 179.45 177.47 2jmg h HIS 33 N 0.25 0.09 -0.89 1.91 3.86 -1.34 -2.13 115.15 116.91 2jmg h HIS 33 Ca 0.68 -0.06 0.23 0.00 -1.16 0.00 0.00 60.37 60.06 2jmg h HIS 33 Cb 1.97 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 30.39 2jmg h HIS 33 CO -0.00 1.09 0.61 0.82 0.86 0.00 0.00 177.93 181.31 2jmg h ILE 34 N -0.89 0.61 0.00 2.45 2.04 -1.17 0.28 117.51 120.83 2jmg h ILE 34 Ca -0.05 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2jmg h ILE 34 Cb 1.13 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2jmg h ILE 34 CO 0.01 0.04 -0.19 0.58 0.00 0.00 0.00 178.15 178.59 2jmg h VAL 35 N 0.20 1.39 -0.68 1.67 2.07 -1.28 -2.43 116.25 117.19 2jmg h VAL 35 Ca 0.45 -2.11 0.07 0.00 0.82 0.00 0.00 66.70 65.93 2jmg h VAL 35 Cb 1.43 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 33.84 2jmg h VAL 35 CO -0.10 0.47 0.36 -0.25 0.02 0.00 0.00 177.57 178.07 2jmg h TRP 36 N -1.00 0.65 0.18 1.57 7.01 -0.66 0.24 115.95 123.94 2jmg h TRP 36 Ca -0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2jmg h TRP 36 Cb 0.89 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.76 2jmg h TRP 36 CO 0.20 0.28 -0.09 0.00 -2.79 0.00 0.00 178.44 176.05 2jmg h ALA 37 N 1.38 -0.24 -0.63 2.65 0.00 -0.61 0.30 119.26 122.11 2jmg h ALA 37 Ca 0.32 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2jmg h ALA 37 Cb 0.27 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2jmg h ALA 37 CO -0.22 -0.42 0.42 1.03 0.00 0.00 0.00 179.25 180.06 2jmg h SER 38 N -0.68 0.43 0.03 0.00 0.87 -1.20 -0.86 113.55 112.14 2jmg h SER 38 Ca -0.02 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2jmg h SER 38 Cb 0.49 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2jmg h SER 38 CO 0.04 0.26 -0.21 -0.09 -0.53 0.00 0.00 176.83 176.30 2jmg h ARG 39 N 0.47 0.08 -0.23 2.24 2.43 -0.48 -3.26 114.38 115.64 2jmg h ARG 39 Ca 0.29 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2jmg h ARG 39 Cb 0.50 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 2jmg h ARG 39 CO -0.09 1.04 -0.21 1.49 -1.51 0.00 0.00 179.97 180.69 2jmg h GLU 40 N -0.81 -0.21 -0.71 0.20 4.22 0.03 0.44 114.58 117.74 2jmg h GLU 40 Ca -0.03 0.01 0.19 0.00 0.08 0.00 0.00 59.36 59.61 2jmg h GLU 40 Cb 1.14 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2jmg h GLU 40 CO 0.04 -0.14 0.50 -0.07 -2.18 0.00 0.00 179.01 177.16 2jmg h LEU 41 N -0.22 0.09 -1.65 1.64 3.38 -1.31 0.52 115.31 117.76 2jmg h LEU 41 Ca 0.13 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2jmg h LEU 41 Cb 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2jmg h LEU 41 CO -0.36 0.04 -0.08 -0.08 0.09 0.00 0.00 178.44 178.05 2jmg h GLU 42 N 0.09 0.13 0.00 1.13 4.81 -0.94 -1.88 114.58 117.92 2jmg h GLU 42 Ca 0.34 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2jmg h GLU 42 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2jmg h GLU 42 CO -0.03 0.22 -1.96 0.54 -0.73 0.00 0.00 179.01 177.05 2jmg n ARG 43 N -4.37 0.65 0.00 1.92 3.00 0.89 -4.22 116.66 114.52 2jmg n ARG 43 Ca -0.02 -0.16 0.08 0.00 -0.01 0.00 0.00 57.85 57.74 2jmg n ARG 43 Cb 0.20 -1.48 0.39 0.00 0.00 0.00 0.00 32.46 31.58 2jmg n ARG 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2jmg n PHE 44 N -2.25 0.00 -0.43 -1.55 7.35 0.15 -4.83 117.46 115.89 2jmg n PHE 44 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 2jmg n PHE 44 Cb 0.59 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.05 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jmg n ALA 45 N -1.37 0.00 -2.66 3.13 0.00 -1.11 -5.03 120.51 113.47 2jmg n ALA 45 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 2jmg n ALA 45 Cb 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.94 5.07 0.03 0.00 1.01 -0.73 -5.04 120.40 117.79 2jmg s VAL 46 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 61.98 61.49 2jmg s VAL 46 Cb 0.00 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 2jmg s VAL 46 CO 0.00 0.12 1.60 -3.20 0.00 0.00 0.00 175.10 173.62 2jmg n ASN 47 N 5.05 2.69 0.00 3.32 5.15 -1.26 -3.90 115.26 126.32 2jmg n ASN 47 Ca -0.14 1.07 0.07 0.00 -0.60 0.00 0.00 54.58 54.98 2jmg n ASN 47 Cb 0.50 -1.32 0.34 0.00 -0.53 0.00 0.00 39.78 38.78 2jmg n ASN 47 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2jmg n PRO 48 N 4.10 0.12 0.00 1.20 -0.04 -1.26 -2.80 135.00 136.32 2jmg n PRO 48 Ca 0.20 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2jmg n PRO 48 Cb 0.24 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.84 0.04 0.55 0.00 -1.26 -2.11 105.19 101.55 2jmg n GLY 49 Ca 0.05 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.34 0.19 0.20 0.99 4.77 -1.12 -3.28 117.00 117.40 2jmg n LEU 50 Ca 0.06 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2jmg n LEU 50 Cb 0.13 -0.27 0.19 0.00 -2.33 0.00 0.00 43.42 41.14 2jmg n LEU 50 CO 0.12 0.04 0.71 -0.07 -1.33 0.00 0.00 177.39 176.86 2jmg h LEU 51 N 0.20 0.00 -3.87 2.23 3.38 -1.70 -3.24 115.31 112.31 2jmg h LEU 51 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2jmg h LEU 51 Cb 0.34 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.83 2jmg h LEU 51 CO 0.00 0.19 0.76 -1.84 0.09 0.00 0.00 178.44 177.64 2jmg n GLU 52 N -3.17 2.46 -3.38 1.13 0.00 -1.21 -4.81 120.64 111.67 2jmg n GLU 52 Ca 0.03 -2.87 -0.02 0.00 0.00 0.00 0.00 57.16 54.29 2jmg n GLU 52 Cb 0.57 -2.13 -0.05 0.00 0.00 0.00 0.00 31.44 29.84 2jmg n GLU 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2jmg s THR 53 N -4.16 -0.84 0.56 3.84 -4.23 -1.22 -5.01 115.64 104.57 2jmg s THR 53 Ca 0.57 0.01 0.28 0.00 -1.18 0.00 0.00 61.69 61.36 2jmg s THR 53 Cb 0.45 -0.90 0.40 0.00 1.34 0.00 0.00 72.50 73.79 2jmg s THR 53 CO -0.00 -0.02 1.97 -1.28 -0.54 0.00 0.00 174.62 174.74 2jmg h SER 54 N 8.08 0.00 1.41 3.99 0.87 -1.87 0.43 113.55 126.46 2jmg h SER 54 Ca -0.20 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 2jmg h SER 54 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2jmg h SER 54 CO 0.21 0.00 -0.61 -0.33 -0.53 0.00 0.00 176.83 175.57 2jmg h GLU 55 N 0.00 0.00 -0.15 2.24 3.07 -1.95 -3.34 114.58 114.45 2jmg h GLU 55 Ca 0.24 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.03 2jmg h GLU 55 Cb 1.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2jmg h GLU 55 CO -0.00 0.34 -0.17 0.78 -1.40 0.00 0.00 179.01 178.56 2jmg h GLY 56 N 3.66 0.42 0.10 -3.84 0.00 -0.34 -2.88 103.07 100.19 2jmg h GLY 56 Ca -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jmg h GLY 56 CO 0.05 0.40 -0.45 0.00 0.00 0.00 0.00 176.54 176.53 2jmg h ARG 58 N -0.64 0.52 0.00 0.00 2.47 -1.69 0.34 114.38 115.38 2jmg h ARG 58 Ca -0.00 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 2jmg h ARG 58 Cb 0.64 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 2jmg h ARG 58 CO -0.25 0.34 -0.56 0.37 0.56 0.00 0.00 179.97 180.44 2jmg h GLN 59 N 0.53 0.00 -0.30 0.04 5.75 -0.99 -3.06 115.11 117.09 2jmg h GLN 59 Ca 0.51 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.87 2jmg h GLN 59 Cb 1.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 2jmg h GLN 59 CO -0.25 0.56 -0.39 0.82 -2.65 0.00 0.00 178.83 176.92 2jmg h ILE 60 N 0.00 1.29 0.00 2.39 2.04 0.34 -2.72 117.51 120.84 2jmg h ILE 60 Ca -0.01 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2jmg h ILE 60 Cb 1.00 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2jmg h ILE 60 CO 0.07 0.51 0.00 -0.07 0.00 0.00 0.00 178.15 178.66 2jmg h LEU 61 N 0.58 0.00 -0.50 1.44 3.38 -1.28 -2.63 115.31 116.29 2jmg h LEU 61 Ca 0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2jmg h LEU 61 Cb 0.93 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2jmg h LEU 61 CO 0.08 0.00 -0.72 1.23 0.09 0.00 0.00 178.44 179.12 2jmg h GLY 62 N 1.81 0.00 1.32 0.83 0.00 -1.44 0.36 103.07 105.94 2jmg h GLY 62 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jmg h GLY 62 CO 0.00 0.00 -0.70 1.46 0.00 0.00 0.00 176.54 177.30 2jmg h GLN 63 N 0.00 0.00 0.00 4.80 4.20 -1.51 -3.35 115.11 119.25 2jmg h GLN 63 Ca -0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 2jmg h GLN 63 Cb 1.31 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.02 2jmg h GLN 63 CO 0.09 0.01 -2.27 1.28 -0.67 0.00 0.00 178.83 177.27 2jmg n LEU 64 N -2.82 0.13 -0.12 1.46 4.77 -1.11 -4.29 117.00 115.03 2jmg n LEU 64 Ca 0.01 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 2jmg n LEU 64 Cb 0.55 0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.98 2jmg n LEU 64 CO 0.38 0.46 0.51 -0.61 -1.33 0.00 0.00 177.39 176.80 2jmg h GLN 65 N 0.00 -0.40 0.00 3.23 4.15 -0.42 0.56 115.11 122.23 2jmg h GLN 65 Ca -0.49 0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2jmg h GLN 65 Cb 2.16 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.94 2jmg h GLN 65 CO 0.04 -0.27 0.00 -0.35 -1.93 0.00 0.00 178.83 176.32 2jmg n PRO 66 N -5.39 0.32 -0.03 -2.39 -0.04 -1.26 -2.14 135.00 124.07 2jmg n PRO 66 Ca -0.03 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 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 -1.17 0.49 0.30 3.54 7.64 0.15 -4.31 113.62 120.26 2jmg n SER 67 Ca 0.09 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.14 2jmg n SER 67 Cb 0.09 1.70 0.87 0.00 -1.01 0.00 0.00 64.21 65.87 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 0.15 -3.43 3.38 0.23 0.59 115.31 116.23 2jmg h LEU 68 Ca -0.10 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.54 2jmg h LEU 68 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jmg h LEU 68 CO 0.01 0.00 -1.68 -0.61 0.09 0.00 0.00 178.44 176.25 2jmg h GLN 69 N 0.00 0.32 0.04 1.13 5.75 -1.75 -3.40 115.11 117.20 2jmg h GLN 69 Ca 0.03 -0.54 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 2jmg h GLN 69 Cb 0.60 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2jmg h GLN 69 CO -0.00 1.26 -0.02 1.15 -2.65 0.00 0.00 178.83 178.57 2jmg h THR 70 N -0.05 1.10 -3.27 2.39 2.02 -1.25 -3.46 112.91 110.38 2jmg h THR 70 Ca -0.35 -1.65 -0.40 0.00 0.77 0.00 0.00 66.41 64.79 2jmg h THR 70 Cb 1.96 2.01 0.20 0.00 -1.74 0.00 0.00 68.15 70.59 2jmg h THR 70 CO 0.12 0.35 0.01 -0.83 0.37 0.00 0.00 175.52 175.54 2jmg s GLY 71 N -3.76 1.50 0.00 2.16 0.00 0.19 -5.08 107.32 102.34 2jmg s GLY 71 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2jmg s GLY 71 CO 0.47 0.06 0.00 -1.14 0.00 0.00 0.00 173.10 172.48 2jmg n SER 72 N -5.19 0.60 0.10 1.64 3.41 -1.26 -4.85 113.62 108.07 2jmg n SER 72 Ca 0.13 -0.48 0.08 0.00 -0.26 0.00 0.00 58.87 58.35 2jmg n SER 72 Cb 0.60 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.95 2jmg n SER 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2jmg n GLU 73 N -0.33 0.11 0.15 4.33 2.13 -1.26 -1.58 120.64 124.18 2jmg n GLU 73 Ca 0.00 0.52 0.12 0.00 0.66 0.00 0.00 57.16 58.46 2jmg n GLU 73 Cb 0.00 -1.79 0.53 0.00 0.27 0.00 0.00 31.44 30.45 2jmg n GLU 73 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jmg n GLU 74 N -2.01 0.19 -0.10 5.31 1.02 -1.26 -2.41 120.64 121.38 2jmg n GLU 74 Ca 0.00 0.50 -0.10 0.00 -0.02 0.00 0.00 57.16 57.53 2jmg n GLU 74 Cb 0.08 -1.92 -0.15 0.00 -0.02 0.00 0.00 31.44 29.44 2jmg n GLU 74 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2jmg n LEU 75 N -2.28 0.40 -0.22 -4.62 7.94 -0.62 -4.39 117.00 113.21 2jmg n LEU 75 Ca 0.01 -0.02 0.08 0.00 -1.11 0.00 0.00 56.01 54.97 2jmg n LEU 75 Cb 0.17 0.29 0.35 0.00 0.53 0.00 0.00 43.42 44.77 2jmg n LEU 75 CO 0.17 0.53 1.22 0.03 -1.11 0.00 0.00 177.39 178.23 2jmg h ARG 76 N 0.00 0.73 -0.27 1.96 2.47 -1.54 -0.20 114.38 117.53 2jmg h ARG 76 Ca -0.52 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2jmg h ARG 76 Cb 2.13 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 30.27 2jmg h ARG 76 CO 0.01 0.49 0.15 1.03 0.56 0.00 0.00 179.97 182.21 2jmg h SER 77 N 0.76 0.31 0.13 7.04 0.87 -1.75 -2.14 113.55 118.78 2jmg h SER 77 Ca 0.36 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2jmg h SER 77 Cb 0.40 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2jmg h SER 77 CO -0.14 0.26 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.28 2jmg h LEU 78 N 0.36 -0.15 -0.52 2.23 -0.00 -1.28 -3.19 115.31 112.76 2jmg h LEU 78 Ca 0.10 -0.38 0.10 0.00 -0.00 0.00 0.00 57.88 57.70 2jmg h LEU 78 Cb 0.01 0.04 -0.11 0.00 -0.00 0.00 0.00 40.66 40.60 2jmg h LEU 78 CO -0.02 0.44 -0.23 0.22 -0.00 0.00 0.00 178.44 178.86 2jmg h TYR 79 N -0.90 -0.57 -0.05 1.13 5.03 -1.28 0.11 116.97 120.44 2jmg h TYR 79 Ca -0.02 0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.36 2jmg h TYR 79 Cb 0.52 0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 2jmg h TYR 79 CO 0.09 -0.31 -0.14 -0.91 -1.32 0.00 0.00 178.16 175.57 2jmg h ASN 80 N -0.10 -0.46 -0.13 -2.11 4.21 -1.50 -0.13 115.58 115.36 2jmg h ASN 80 Ca 0.24 0.06 0.05 0.00 1.21 0.00 0.00 56.30 57.85 2jmg h ASN 80 Cb 0.48 0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 37.80 2jmg h ASN 80 CO -0.59 -0.12 -0.35 0.74 -1.29 0.00 0.00 177.43 175.82 2jmg h THR 81 N -0.14 0.24 -0.88 2.81 2.02 -1.46 -1.23 112.91 114.27 2jmg h THR 81 Ca 0.01 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.38 2jmg h THR 81 Cb 0.17 0.24 -0.17 0.00 -1.74 0.00 0.00 68.15 66.66 2jmg h THR 81 CO -0.12 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 176.01 2jmg h ILE 82 N -0.43 0.13 -0.77 3.11 2.04 -0.51 0.63 117.51 121.70 2jmg h ILE 82 Ca 0.09 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2jmg h ILE 82 Cb 0.57 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2jmg h ILE 82 CO -0.37 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.06 2jmg h ALA 83 N 1.88 1.03 0.00 1.87 0.00 -0.14 -1.73 119.26 122.15 2jmg h ALA 83 Ca 0.45 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2jmg h ALA 83 Cb 0.74 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jmg h ALA 83 CO -0.88 0.67 -0.30 0.28 0.00 0.00 0.00 179.25 179.02 2jmg h VAL 84 N 1.14 1.17 -0.02 0.00 2.07 0.12 -2.93 116.25 117.79 2jmg h VAL 84 Ca 0.25 -1.04 -0.21 0.00 0.82 0.00 0.00 66.70 66.52 2jmg h VAL 84 Cb 0.26 1.57 0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2jmg h VAL 84 CO -0.01 0.29 -0.80 0.25 0.02 0.00 0.00 177.57 177.31 2jmg h LEU 85 N 0.00 0.75 -0.79 2.57 5.85 -0.07 -3.16 115.31 120.46 2jmg h LEU 85 Ca -0.00 -0.73 0.18 0.00 0.84 0.00 0.00 57.88 58.17 2jmg h LEU 85 Cb 0.54 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.23 2jmg h LEU 85 CO 0.04 1.37 0.21 0.22 -0.34 0.00 0.00 178.44 179.94 2jmg h TYR 86 N 0.20 0.32 -0.35 1.25 3.20 -1.14 0.27 116.97 120.72 2jmg h TYR 86 Ca -0.09 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2jmg h TYR 86 Cb 1.48 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 2jmg h TYR 86 CO 0.12 -0.11 -0.16 0.00 -1.64 0.00 0.00 178.16 176.36 2jmg h VAL 88 N 0.57 0.81 0.00 0.00 2.07 -0.44 -0.40 116.25 118.86 2jmg h VAL 88 Ca 0.09 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.41 2jmg h VAL 88 Cb 0.60 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2jmg h VAL 88 CO 0.04 0.00 -1.91 1.41 0.02 0.00 0.00 177.57 177.13 2jmg n HIS 89 N -4.30 0.39 1.05 1.57 -0.00 -0.93 -4.11 115.22 108.89 2jmg n HIS 89 Ca -0.01 0.13 0.07 0.00 -0.00 0.00 0.00 57.72 57.91 2jmg n HIS 89 Cb 0.20 -0.91 0.21 0.00 -0.00 0.00 0.00 29.99 29.48 2jmg n HIS 89 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2jmg n GLN 90 N -2.68 1.73 -3.41 -0.41 6.02 -0.47 -4.89 117.38 113.26 2jmg n GLN 90 Ca -0.17 -1.12 -0.17 0.00 -0.01 0.00 0.00 57.00 55.53 2jmg n GLN 90 Cb 0.89 -1.28 0.08 0.00 1.02 0.00 0.00 30.24 30.95 2jmg n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jmg n ARG 91 N 0.39 -5.80 -4.93 -1.09 3.00 -0.59 -5.01 116.66 102.63 2jmg n ARG 91 Ca 0.12 0.84 -0.28 0.00 -0.01 0.00 0.00 57.85 58.53 2jmg n ARG 91 Cb 0.28 -5.84 -0.17 0.00 0.00 0.00 0.00 32.46 26.74 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 -3.38 1.60 -0.37 0.55 1.01 -0.26 -5.05 121.20 115.30 2jmg s ILE 92 Ca 0.08 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 2jmg s ILE 92 Cb -0.01 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 2jmg s ILE 92 CO 0.73 0.46 0.37 -0.62 0.00 0.00 0.00 174.94 175.88 2jmg s ASP 93 N 0.29 6.17 -0.05 3.58 -1.08 -1.26 -4.40 116.67 119.92 2jmg s ASP 93 Ca -0.12 -0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 51.46 2jmg s ASP 93 Cb -0.15 -2.20 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 2jmg s ASP 93 CO 0.05 -0.41 0.16 0.68 0.52 0.00 0.00 175.17 176.17 2jmg s VAL 94 N 2.01 5.45 -0.09 1.11 -7.23 -1.26 -4.99 120.40 115.40 2jmg s VAL 94 Ca 0.11 -0.02 0.22 0.00 -1.81 0.00 0.00 61.98 60.48 2jmg s VAL 94 Cb -0.17 -3.48 0.22 0.00 0.56 0.00 0.00 36.38 33.52 2jmg s VAL 94 CO 0.12 0.44 1.68 0.11 -0.31 0.00 0.00 175.10 177.14 2jmg h LYS 95 N 4.28 0.00 0.00 4.82 1.57 -1.93 -3.42 116.57 121.88 2jmg h LYS 95 Ca -0.51 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 58.53 2jmg h LYS 95 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 2jmg h LYS 95 CO 0.65 0.24 0.74 -0.40 -0.57 0.00 0.00 179.45 180.10 2jmg n ASP 96 N -3.25 -1.27 0.07 0.86 5.68 -1.26 -4.14 116.55 113.24 2jmg n ASP 96 Ca 0.02 -1.43 -0.12 0.00 -0.50 0.00 0.00 54.79 52.75 2jmg n ASP 96 Cb 0.53 2.01 -0.05 0.00 -1.14 0.00 0.00 41.12 42.47 2jmg n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2jmg h THR 97 N 1.91 0.29 -0.01 2.12 2.02 -1.44 -2.27 112.91 115.53 2jmg h THR 97 Ca -0.21 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.99 2jmg h THR 97 Cb 1.09 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2jmg h THR 97 CO 0.30 0.00 -0.15 0.50 0.37 0.00 0.00 175.52 176.55 2jmg h LYS 98 N -0.49 -0.23 -1.10 6.66 3.64 -1.89 -1.82 116.57 121.33 2jmg h LYS 98 Ca 0.06 0.02 0.35 0.00 -1.27 0.00 0.00 60.65 59.81 2jmg h LYS 98 Cb 0.57 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.31 2jmg h LYS 98 CO -0.27 -0.16 0.66 1.49 -2.27 0.00 0.00 179.45 178.91 2jmg h GLU 99 N -0.24 0.24 -0.22 1.90 4.57 -1.86 0.37 114.58 119.34 2jmg h GLU 99 Ca 0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2jmg h GLU 99 Cb 0.31 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2jmg h GLU 99 CO -0.15 0.16 0.13 0.00 -1.18 0.00 0.00 179.01 177.97 2jmg h ALA 100 N 1.75 0.28 0.78 2.92 0.00 -0.76 -0.64 119.26 123.58 2jmg h ALA 100 Ca 0.75 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 2jmg h ALA 100 Cb 1.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2jmg h ALA 100 CO -0.52 -0.23 -0.46 -0.07 0.00 0.00 0.00 179.25 177.98 2jmg h LEU 101 N 0.27 -1.15 -0.46 0.00 3.38 -0.21 0.17 115.31 117.31 2jmg h LEU 101 Ca 0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jmg h LEU 101 Cb 0.01 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jmg h LEU 101 CO -0.02 -0.72 0.00 -0.67 0.09 0.00 0.00 178.44 177.13 2jmg n ASP 102 N -5.36 0.18 -0.09 -0.43 -0.08 -0.91 -1.78 116.55 108.09 2jmg n ASP 102 Ca -0.14 0.58 -0.15 0.00 -1.51 0.00 0.00 54.79 53.58 2jmg n ASP 102 Cb 0.47 -0.61 -0.08 0.00 2.34 0.00 0.00 41.12 43.25 2jmg n ASP 102 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2jmg h LYS 103 N 0.00 0.00 -0.11 -0.67 1.79 -0.02 -3.18 116.57 114.38 2jmg h LYS 103 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2jmg h LYS 103 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2jmg h LYS 103 CO 0.00 0.65 0.03 0.82 -1.08 0.00 0.00 179.45 179.87 2jmg h ILE 104 N -1.00 1.06 -0.04 1.86 2.04 -0.25 -1.60 117.51 119.58 2jmg h ILE 104 Ca -0.18 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.31 2jmg h ILE 104 Cb 0.95 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2jmg h ILE 104 CO -0.11 0.07 -0.73 -0.08 0.00 0.00 0.00 178.15 177.30 2jmg h GLU 105 N 0.15 0.23 -0.17 2.37 4.81 -1.51 -3.13 114.58 117.32 2jmg h GLU 105 Ca 0.04 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2jmg h GLU 105 Cb 0.06 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2jmg h GLU 105 CO -0.00 0.86 -0.37 1.49 -0.73 0.00 0.00 179.01 180.26 2jmg h GLU 106 N 0.15 0.38 0.00 1.92 4.81 -1.28 -2.76 114.58 117.80 2jmg h GLU 106 Ca -0.02 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 2jmg h GLU 106 Cb 1.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2jmg h GLU 106 CO 0.11 0.70 -0.37 1.49 -0.73 0.00 0.00 179.01 180.21 2jmg h GLU 107 N 0.32 0.00 -0.05 1.92 4.22 -1.40 -2.69 114.58 116.89 2jmg h GLU 107 Ca 0.03 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.33 2jmg h GLU 107 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2jmg h GLU 107 CO 0.06 0.37 -0.61 0.37 -2.18 0.00 0.00 179.01 177.02 2jmg h GLN 108 N 0.00 0.19 -0.63 1.92 4.15 -1.46 -3.00 115.11 116.28 2jmg h GLN 108 Ca -0.00 -0.13 0.18 0.00 0.77 0.00 0.00 58.65 59.46 2jmg h GLN 108 Cb 0.66 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 2jmg h GLN 108 CO 0.05 0.74 0.46 -0.97 -1.93 0.00 0.00 178.83 177.18 2jmg h ASN 109 N 0.14 0.00 0.72 -0.69 -0.00 -1.35 0.18 115.58 114.57 2jmg h ASN 109 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 2jmg h ASN 109 Cb 1.11 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.40 2jmg h ASN 109 CO 0.09 0.00 -1.40 0.50 -0.00 0.00 0.00 177.43 176.62 2jmg h LYS 110 N 0.00 0.00 -0.96 6.67 3.64 -1.64 -3.34 116.57 120.95 2jmg h LYS 110 Ca 0.30 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.28 2jmg h LYS 110 Cb 1.21 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 2jmg h LYS 110 CO -0.00 0.32 0.51 -1.13 -2.27 0.00 0.00 179.45 176.87 2jmg n SER 111 N -2.92 3.81 0.05 4.20 3.41 0.52 -4.29 113.62 118.41 2jmg n SER 111 Ca -0.10 -3.32 -0.06 0.00 -0.26 0.00 0.00 58.87 55.13 2jmg n SER 111 Cb 0.85 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 2jmg n SER 111 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jmg h LYS 112 N 1.16 0.00 0.00 4.33 3.64 -1.40 -3.27 116.57 121.03 2jmg h LYS 112 Ca 0.49 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.72 2jmg h LYS 112 Cb 2.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.32 2jmg h LYS 112 CO 0.90 0.80 -0.98 -0.22 -2.27 0.00 0.00 179.45 177.68 2jmg h LYS 113 N 0.00 0.00 -1.02 1.90 3.64 -1.87 -3.30 116.57 115.91 2jmg h LYS 113 Ca -0.07 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.76 2jmg h LYS 113 Cb 1.76 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 33.29 2jmg h LYS 113 CO 0.11 0.47 0.70 1.63 -2.27 0.00 0.00 179.45 180.09 2jmg n LYS 114 N -3.09 2.34 -0.40 1.90 4.76 -1.24 -4.28 118.16 118.16 2jmg n LYS 114 Ca -0.04 -2.97 0.07 0.00 -2.87 0.00 0.00 58.31 52.51 2jmg n LYS 114 Cb 0.81 -2.16 0.18 0.00 -1.84 0.00 0.00 35.03 32.02 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jmg n ALA 115 N -0.98 3.12 -0.30 7.82 0.00 -1.23 -4.82 120.51 124.12 2jmg n ALA 115 Ca 0.58 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 51.02 2jmg n ALA 115 Cb 1.28 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.34 2jmg n ALA 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jmg n GLN 116 N -1.23 0.00 -2.52 0.00 6.02 -1.26 -5.00 117.38 113.39 2jmg n GLN 116 Ca 0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.03 2jmg n GLN 116 Cb 0.69 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.95 2jmg n GLN 116 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jmg n GLN 117 N -2.05 -2.32 0.00 -1.09 7.27 -1.26 -4.33 117.38 113.60 2jmg n GLN 117 Ca 0.00 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.72 2jmg n GLN 117 Cb 0.00 -5.28 0.00 0.00 2.41 0.00 0.00 30.24 27.37 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmg n ALA 118 N -2.32 0.00 -1.18 1.69 0.00 -1.26 -4.95 120.51 112.50 2jmg n ALA 118 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2jmg n ALA 118 Cb 0.62 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.30 2jmg n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n ALA 119 N -0.91 5.10 -1.60 0.00 0.00 -1.26 -4.37 120.51 117.47 2jmg n ALA 119 Ca 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 53.44 50.68 2jmg n ALA 119 Cb 0.00 -1.31 0.17 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.77 4.34 -1.46 0.00 0.00 -1.26 -4.60 120.51 116.76 2jmg n ALA 120 Ca 0.51 -3.33 0.05 0.00 0.00 0.00 0.00 53.44 50.66 2jmg n ALA 120 Cb 1.52 -0.59 0.20 0.00 0.00 0.00 0.00 19.45 20.57 2jmg n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jmg n ASP 121 N -1.05 2.01 0.18 0.00 5.75 -1.26 -4.74 116.55 117.45 2jmg n ASP 121 Ca 0.32 -3.71 0.17 0.00 -0.01 0.00 0.00 54.79 51.55 2jmg n ASP 121 Cb 0.90 -0.53 0.79 0.00 -1.03 0.00 0.00 41.12 41.25 2jmg n ASP 121 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2jmg h THR 122 N 0.84 0.55 0.00 2.12 1.35 -1.94 0.34 112.91 116.18 2jmg h THR 122 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.89 2jmg h THR 122 Cb 1.12 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2jmg h THR 122 CO 0.07 0.00 -1.00 1.23 -0.25 0.00 0.00 175.52 175.57 2jmg h GLY 123 N 0.00 0.00 -6.12 5.82 0.00 -1.99 -3.40 103.07 97.39 2jmg h GLY 123 Ca 0.10 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.84 2jmg h GLY 123 CO -0.00 0.00 -0.69 -2.01 0.00 0.00 0.00 176.54 173.84 2jmg n ASN 124 N -2.70 3.11 -3.30 0.19 5.15 0.10 -5.00 115.26 112.81 2jmg n ASN 124 Ca -0.00 -3.31 0.03 0.00 -0.60 0.00 0.00 54.58 50.69 2jmg n ASN 124 Cb 0.56 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 39.12 2jmg n ASN 124 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jmg s ASN 125 N -2.28 -0.70 -0.42 1.20 3.84 -1.14 -4.88 114.94 110.55 2jmg s ASN 125 Ca 0.39 0.69 0.06 0.00 0.21 0.00 0.00 52.86 54.22 2jmg s ASN 125 Cb 0.16 1.69 0.20 0.00 -0.55 0.00 0.00 41.25 42.76 2jmg s ASN 125 CO -0.03 -0.13 0.47 -1.20 -2.79 0.00 0.00 177.10 173.41 2jmg n SER 126 N 5.23 -0.66 -3.61 -4.21 7.64 -1.26 -4.99 113.62 111.76 2jmg n SER 126 Ca -0.07 -2.58 -0.07 0.00 1.01 0.00 0.00 58.87 57.15 2jmg n SER 126 Cb 0.52 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 2jmg n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmg s GLN 127 N -0.26 0.38 0.61 1.43 -2.07 -1.26 -5.16 119.66 113.33 2jmg s GLN 127 Ca 0.33 0.14 -0.19 0.00 -1.82 0.00 0.00 55.36 53.82 2jmg s GLN 127 Cb 0.09 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 2jmg s GLN 127 CO -0.16 -0.11 1.28 0.14 -1.32 0.00 0.00 175.29 175.12 2jmg s VAL 128 N -0.88 2.24 0.23 3.63 -7.23 -1.26 -5.04 120.40 112.09 2jmg s VAL 128 Ca 0.03 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2jmg s VAL 128 Cb -0.01 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 2jmg s VAL 128 CO -0.03 -0.03 0.14 -0.94 -0.31 0.00 0.00 175.10 173.93 2jmg s SER 129 N -1.37 0.55 -0.21 4.85 1.04 -1.26 -5.15 113.70 112.14 2jmg s SER 129 Ca 0.79 -1.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 2jmg s SER 129 Cb -0.36 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.23 2jmg s SER 129 CO 0.39 -0.85 0.26 -1.58 0.98 0.00 0.00 173.24 172.45 2jmg s GLN 130 N -4.05 0.23 0.05 4.02 2.00 -1.26 -5.15 119.66 115.50 2jmg s GLN 130 Ca 0.39 0.32 0.01 0.00 -2.00 0.00 0.00 55.36 54.07 2jmg s GLN 130 Cb 0.07 -0.96 -0.04 0.00 0.80 0.00 0.00 33.01 32.87 2jmg s GLN 130 CO 0.14 -0.63 0.13 0.54 -0.50 0.00 0.00 175.29 174.96 2jmg s ASN 131 N 2.39 5.87 0.00 6.67 4.22 -1.26 -5.37 114.94 127.46 2jmg s ASN 131 Ca 0.08 0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.93 2jmg s ASN 131 Cb -0.15 -1.69 0.00 0.00 1.28 0.00 0.00 41.25 40.68 2jmg s ASN 131 CO -0.13 0.20 0.00 -1.22 -2.04 0.00 0.00 177.10 173.91