#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 -0.66 -1.38 4.61 0.00 -1.26 -3.42 120.51 118.39 2jmg n ALA 3 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 2jmg n ALA 3 Cb 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.75 3.04 -0.06 0.00 3.00 -1.26 -4.97 116.66 114.67 2jmg n ARG 4 Ca 0.00 -2.09 0.01 0.00 -0.01 0.00 0.00 57.85 55.76 2jmg n ARG 4 Cb 0.10 -2.36 -0.00 0.00 0.00 0.00 0.00 32.46 30.19 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 2.28 -0.20 -1.20 7.54 0.00 -1.22 -5.00 120.51 122.71 2jmg n ALA 5 Ca 0.58 0.02 0.01 0.00 0.00 0.00 0.00 53.44 54.05 2jmg n ALA 5 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 2jmg n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jmg n SER 6 N -3.50 -6.48 0.14 0.00 2.88 -1.26 -5.05 113.62 100.35 2jmg n SER 6 Ca 0.00 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 2jmg n SER 6 Cb 0.03 -3.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 2jmg n SER 6 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jmg n ARG 7 N -2.50 0.00 -0.31 -1.46 0.63 -1.26 -5.07 116.66 106.69 2jmg n ARG 7 Ca -0.01 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.81 2jmg n ARG 7 Cb 0.39 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.40 2jmg n ARG 7 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jmg n LEU 8 N -3.18 0.00 -4.47 6.15 4.77 -1.26 -5.09 117.00 113.92 2jmg n LEU 8 Ca 0.00 -0.40 -0.24 0.00 -0.03 0.00 0.00 56.01 55.34 2jmg n LEU 8 Cb 0.00 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 2jmg n LEU 8 CO 0.00 -1.57 -0.19 -0.44 -1.33 0.00 0.00 177.39 173.86 2jmg s SER 9 N -2.54 2.49 0.27 -1.43 0.01 -1.26 -4.99 113.70 106.24 2jmg s SER 9 Ca 0.26 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 55.88 2jmg s SER 9 Cb -0.03 0.45 0.62 0.00 0.21 0.00 0.00 66.02 67.27 2jmg s SER 9 CO 0.20 -0.91 1.71 1.23 0.41 0.00 0.00 173.24 175.88 2jmg h GLY 10 N 1.90 1.38 0.57 3.44 0.00 -1.98 0.33 103.07 108.70 2jmg h GLY 10 Ca -0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2jmg h GLY 10 CO 0.55 -0.19 -0.46 -1.33 0.00 0.00 0.00 176.54 175.11 2jmg h GLY 11 N 0.42 -1.13 2.00 4.60 0.00 -2.01 -2.08 103.07 104.87 2jmg h GLY 11 Ca 0.50 0.53 -0.04 0.00 0.00 0.00 0.00 47.33 48.32 2jmg h GLY 11 CO -0.48 -0.36 -0.20 -2.09 0.00 0.00 0.00 176.54 173.41 2jmg h GLU 12 N -0.94 0.00 0.00 4.80 4.57 -1.83 -2.35 114.58 118.83 2jmg h GLU 12 Ca -0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2jmg h GLU 12 Cb 0.82 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2jmg h GLU 12 CO -0.05 0.20 -0.16 1.25 -1.18 0.00 0.00 179.01 179.07 2jmg h LEU 13 N 0.00 0.00 -0.55 1.64 5.85 0.22 -2.41 115.31 120.06 2jmg h LEU 13 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jmg h LEU 13 Cb 0.50 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2jmg h LEU 13 CO 0.03 0.16 0.30 -0.78 -0.34 0.00 0.00 178.44 177.80 2jmg h ASP 14 N 0.00 0.69 -0.12 1.25 3.58 -0.82 -1.41 116.42 119.58 2jmg h ASP 14 Ca -0.00 -0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.20 2jmg h ASP 14 Cb 0.35 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.23 2jmg h ASP 14 CO 0.02 0.59 -0.49 0.11 -2.88 0.00 0.00 179.24 176.59 2jmg h LYS 15 N 0.74 0.55 -0.86 0.28 1.57 -1.61 -1.14 116.57 116.10 2jmg h LYS 15 Ca 0.19 -0.43 0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2jmg h LYS 15 Cb 0.06 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 2jmg h LYS 15 CO -0.03 1.05 0.51 2.35 -0.57 0.00 0.00 179.45 182.76 2jmg h TRP 16 N 0.17 0.92 0.00 -1.35 -0.00 -1.31 0.29 115.95 114.66 2jmg h TRP 16 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2jmg h TRP 16 Cb 1.13 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 30.00 2jmg h TRP 16 CO 0.11 0.39 -0.32 0.39 -0.00 0.00 0.00 178.44 179.01 2jmg n GLU 17 N -4.70 0.10 0.20 2.65 1.02 -0.54 -3.54 120.64 115.83 2jmg n GLU 17 Ca 0.14 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 2jmg n GLU 17 Cb 0.27 -1.58 0.28 0.00 -0.02 0.00 0.00 31.44 30.39 2jmg n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jmg h LYS 18 N 0.00 0.00 -6.40 3.49 3.64 0.38 -3.41 116.57 114.27 2jmg h LYS 18 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 2jmg h LYS 18 Cb 0.59 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2jmg h LYS 18 CO 0.00 0.23 0.32 0.42 -2.27 0.00 0.00 179.45 178.15 2jmg s ILE 19 N -3.34 4.80 0.25 2.00 1.01 -0.99 -4.97 121.20 119.97 2jmg s ILE 19 Ca 0.03 1.97 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 2jmg s ILE 19 Cb 0.08 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 2jmg s ILE 19 CO 0.67 0.22 0.59 -0.13 0.00 0.00 0.00 174.94 176.29 2jmg s ARG 20 N 0.69 3.84 0.00 2.79 0.52 -1.26 -2.60 118.95 122.94 2jmg s ARG 20 Ca 0.48 0.36 -0.20 0.00 -0.52 0.00 0.00 55.73 55.86 2jmg s ARG 20 Cb -0.21 -2.59 -0.24 0.00 0.52 0.00 0.00 34.95 32.43 2jmg s ARG 20 CO 0.27 0.27 1.10 -0.07 0.02 0.00 0.00 175.30 176.89 2jmg h LEU 21 N 2.44 0.54 -9.77 2.53 3.38 -0.82 -0.18 115.31 113.43 2jmg h LEU 21 Ca -0.47 -0.76 -0.53 0.00 0.09 0.00 0.00 57.88 56.20 2jmg h LEU 21 Cb 1.17 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 2jmg h LEU 21 CO 0.68 1.23 -0.57 -0.13 0.09 0.00 0.00 178.44 179.74 2jmg s ARG 22 N -3.19 2.73 0.08 1.13 1.81 -1.26 -3.77 118.95 116.47 2jmg s ARG 22 Ca -0.13 -1.12 -0.17 0.00 -1.72 0.00 0.00 55.73 52.59 2jmg s ARG 22 Cb 0.04 -2.46 -0.11 0.00 -0.45 0.00 0.00 34.95 31.97 2jmg s ARG 22 CO 0.82 0.41 1.40 -1.00 -0.68 0.00 0.00 175.30 176.25 2jmg h PRO 23 N 1.81 0.57 -0.51 3.54 0.13 -1.93 -3.29 132.00 132.32 2jmg h PRO 23 Ca -0.47 -0.30 -0.34 0.00 -0.87 0.00 0.00 66.00 64.02 2jmg h PRO 23 Cb 1.23 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 2jmg h PRO 23 CO 0.61 0.89 -0.25 0.41 -0.23 0.00 0.00 178.00 179.43 2jmg n GLY 24 N 0.16 5.53 0.00 1.56 0.00 -1.26 -4.99 105.19 106.19 2jmg n GLY 24 Ca -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.97 4.49 0.00 -0.02 0.00 -1.24 -5.06 105.19 102.39 2jmg n GLY 25 Ca 0.39 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.13 0.44 -2.67 1.61 4.81 -1.26 -4.91 118.16 116.05 2jmg n LYS 26 Ca 0.00 -0.69 -0.32 0.00 -0.87 0.00 0.00 58.31 56.43 2jmg n LYS 26 Cb 0.00 -0.84 -0.05 0.00 0.02 0.00 0.00 35.03 34.16 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 -0.28 4.01 0.09 1.64 3.01 -1.26 -4.97 119.74 121.98 2jmg s LYS 27 Ca 0.00 0.90 0.02 0.00 -1.01 0.00 0.00 55.97 55.88 2jmg s LYS 27 Cb 0.00 -2.22 -0.01 0.00 -1.01 0.00 0.00 37.83 34.59 2jmg s LYS 27 CO 0.00 -0.12 0.07 1.04 0.51 0.00 0.00 175.35 176.86 2jmg n GLN 28 N -1.12 0.12 -3.45 1.68 3.00 -1.26 -0.17 117.38 116.17 2jmg n GLN 28 Ca 0.06 -0.87 -0.28 0.00 -0.01 0.00 0.00 57.00 55.90 2jmg n GLN 28 Cb 0.54 0.71 -0.03 0.00 0.00 0.00 0.00 30.24 31.46 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 -2.35 3.48 0.32 1.08 2.02 -1.07 -4.63 117.35 116.20 2jmg s TYR 29 Ca 0.10 0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 57.32 2jmg s TYR 29 Cb 0.01 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2jmg s TYR 29 CO 0.07 0.24 0.43 0.15 -1.57 0.00 0.00 175.55 174.87 2jmg s LYS 30 N -3.49 1.79 0.51 -0.62 1.02 -1.26 -4.21 119.74 113.47 2jmg s LYS 30 Ca 0.42 -1.71 0.23 0.00 0.02 0.00 0.00 55.97 54.93 2jmg s LYS 30 Cb -0.11 0.42 1.32 0.00 -0.52 0.00 0.00 37.83 38.95 2jmg s LYS 30 CO 0.30 -0.72 1.99 -0.07 -0.92 0.00 0.00 175.35 175.92 2jmg h LEU 31 N 2.18 0.08 -0.63 3.17 4.07 -1.99 -1.84 115.31 120.34 2jmg h LEU 31 Ca -0.28 0.00 0.13 0.00 0.08 0.00 0.00 57.88 57.81 2jmg h LEU 31 Cb 1.24 -0.01 -0.11 0.00 1.08 0.00 0.00 40.66 42.86 2jmg h LEU 31 CO 0.39 0.04 -0.06 0.11 -1.08 0.00 0.00 178.44 177.85 2jmg h LYS 32 N 0.08 0.07 -0.30 1.13 1.57 -1.99 0.16 116.57 117.28 2jmg h LYS 32 Ca 0.27 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 2jmg h LYS 32 Cb 0.95 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2jmg h LYS 32 CO -0.02 0.04 -0.19 0.45 -0.57 0.00 0.00 179.45 179.16 2jmg h HIS 33 N 0.07 0.77 -0.56 -1.35 3.86 -1.75 -2.44 115.15 113.75 2jmg h HIS 33 Ca 0.32 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2jmg h HIS 33 Cb 0.52 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 2jmg h HIS 33 CO -0.42 0.91 0.36 0.82 0.86 0.00 0.00 177.93 180.46 2jmg h ILE 34 N 0.41 1.15 0.63 2.45 2.04 -1.20 -0.01 117.51 122.98 2jmg h ILE 34 Ca 0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2jmg h ILE 34 Cb 0.73 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2jmg h ILE 34 CO 0.05 0.14 -0.30 0.58 0.00 0.00 0.00 178.15 178.62 2jmg h VAL 35 N 0.76 0.00 -0.13 1.67 2.07 -0.63 -1.74 116.25 118.25 2jmg h VAL 35 Ca 0.20 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2jmg h VAL 35 Cb -0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2jmg h VAL 35 CO -0.04 0.00 0.13 -0.25 0.02 0.00 0.00 177.57 177.43 2jmg h TRP 36 N -1.19 0.00 0.30 1.57 7.01 -1.35 -2.48 115.95 119.80 2jmg h TRP 36 Ca -0.09 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2jmg h TRP 36 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.71 2jmg h TRP 36 CO 0.01 0.00 -0.14 0.00 -2.79 0.00 0.00 178.44 175.51 2jmg h ALA 37 N 1.87 -0.40 -0.44 2.65 0.00 -0.92 0.30 119.26 122.31 2jmg h ALA 37 Ca 0.06 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2jmg h ALA 37 Cb 0.32 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jmg h ALA 37 CO -0.00 -0.46 0.38 0.77 0.00 0.00 0.00 179.25 179.94 2jmg h SER 38 N -0.94 0.00 0.04 0.00 0.02 -0.93 -0.51 113.55 111.23 2jmg h SER 38 Ca -0.04 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 2jmg h SER 38 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2jmg h SER 38 CO 0.07 0.00 -0.98 -0.09 -1.14 0.00 0.00 176.83 174.68 2jmg h ARG 39 N 0.00 0.08 -0.38 3.45 1.12 -1.42 -3.32 114.38 113.90 2jmg h ARG 39 Ca 0.21 -0.13 0.07 0.00 -1.11 0.00 0.00 59.98 59.02 2jmg h ARG 39 Cb 0.96 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 30.91 2jmg h ARG 39 CO -0.00 1.06 -0.01 1.49 -3.11 0.00 0.00 179.97 179.40 2jmg h GLU 40 N -0.78 0.09 -0.95 0.20 4.57 0.35 -1.21 114.58 116.86 2jmg h GLU 40 Ca -0.24 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.09 2jmg h GLU 40 Cb 1.37 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.84 2jmg h GLU 40 CO -0.07 0.06 0.55 -0.07 -1.18 0.00 0.00 179.01 178.30 2jmg h LEU 41 N 0.09 0.72 -2.22 1.64 3.38 -1.29 0.32 115.31 117.94 2jmg h LEU 41 Ca 0.19 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.27 2jmg h LEU 41 Cb 0.26 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jmg h LEU 41 CO -0.32 0.30 0.08 -0.08 0.09 0.00 0.00 178.44 178.51 2jmg h GLU 42 N 0.76 0.00 0.01 1.13 4.22 -0.87 0.99 114.58 120.82 2jmg h GLU 42 Ca 0.52 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.74 2jmg h GLU 42 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2jmg h GLU 42 CO -0.35 0.00 -1.07 -0.09 -2.18 0.00 0.00 179.01 175.31 2jmg h ARG 43 N 0.00 0.02 -1.22 1.92 2.43 -0.25 -3.28 114.38 114.00 2jmg h ARG 43 Ca 0.04 -0.03 -0.34 0.00 -0.81 0.00 0.00 59.98 58.84 2jmg h ARG 43 Cb 0.21 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 29.60 2jmg h ARG 43 CO -0.00 0.97 0.44 1.19 -1.51 0.00 0.00 179.97 181.06 2jmg n PHE 44 N -3.34 1.78 -1.87 2.20 3.72 -0.23 -4.82 117.46 114.90 2jmg n PHE 44 Ca -0.02 -1.72 -0.09 0.00 -0.05 0.00 0.00 57.45 55.57 2jmg n PHE 44 Cb 0.95 -0.85 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.14 -0.49 -3.86 4.37 0.00 -1.19 -4.90 120.51 114.31 2jmg n ALA 45 Ca 0.35 0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 2jmg n ALA 45 Cb 0.87 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.13 2.61 0.36 0.00 1.01 0.18 -5.02 120.40 117.41 2jmg s VAL 46 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 2jmg s VAL 46 Cb 0.00 -2.23 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 2jmg s VAL 46 CO 0.00 0.36 1.52 0.20 0.00 0.00 0.00 175.10 177.17 2jmg s ASN 47 N 1.33 6.33 0.00 3.32 0.01 -1.26 -2.43 114.94 122.24 2jmg s ASN 47 Ca 0.02 3.05 0.15 0.00 -0.71 0.00 0.00 52.86 55.38 2jmg s ASN 47 Cb -0.15 -2.66 0.78 0.00 0.41 0.00 0.00 41.25 39.63 2jmg s ASN 47 CO -0.08 -0.90 1.40 -0.81 -1.51 0.00 0.00 177.10 175.21 2jmg n PRO 48 N 0.77 0.26 0.00 -0.60 -0.04 -1.26 -2.66 135.00 131.47 2jmg n PRO 48 Ca 0.02 0.12 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 2jmg n PRO 48 Cb 0.39 -1.50 0.88 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.02 -0.96 0.36 0.55 0.00 -1.26 -3.18 105.19 100.68 2jmg n GLY 49 Ca 0.08 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.02 1.05 -0.36 0.99 4.77 -1.09 -3.25 117.00 118.08 2jmg n LEU 50 Ca 0.22 -0.51 0.08 0.00 -0.03 0.00 0.00 56.01 55.77 2jmg n LEU 50 Cb 0.11 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2jmg n LEU 50 CO 0.17 0.26 0.25 0.18 -1.33 0.00 0.00 177.39 176.92 2jmg n LEU 51 N 0.05 1.63 -2.53 2.23 4.77 -1.19 -2.10 117.00 119.86 2jmg n LEU 51 Ca 0.08 -0.75 -0.34 0.00 -0.03 0.00 0.00 56.01 54.97 2jmg n LEU 51 Cb 0.17 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2jmg n LEU 51 CO 0.06 0.31 1.09 -1.84 -1.33 0.00 0.00 177.39 175.68 2jmg n GLU 52 N -0.18 2.97 -3.33 3.23 0.28 -1.20 -4.89 120.64 117.51 2jmg n GLU 52 Ca 0.07 -3.71 0.03 0.00 -0.16 0.00 0.00 57.16 53.38 2jmg n GLU 52 Cb 0.35 -2.27 -0.05 0.00 1.43 0.00 0.00 31.44 30.90 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 -5.02 -0.09 0.41 3.84 -1.32 -1.26 -4.96 115.64 107.23 2jmg s THR 53 Ca 0.55 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.20 2jmg s THR 53 Cb 0.45 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.82 2jmg s THR 53 CO -0.19 0.00 1.84 0.77 -2.21 0.00 0.00 174.62 174.83 2jmg h SER 54 N 6.62 0.44 1.49 8.08 4.64 -1.90 0.44 113.55 133.36 2jmg h SER 54 Ca -0.17 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 2jmg h SER 54 Cb 1.14 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2jmg h SER 54 CO 0.11 0.17 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.38 2jmg h GLU 55 N 0.44 0.00 0.00 4.77 5.08 -1.95 -3.20 114.58 119.72 2jmg h GLU 55 Ca 0.49 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.76 2jmg h GLU 55 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2jmg h GLU 55 CO -0.20 0.31 -0.45 0.78 -1.00 0.00 0.00 179.01 178.44 2jmg h GLY 56 N 3.69 0.00 0.00 -3.84 0.00 -0.42 -3.17 103.07 99.33 2jmg h GLY 56 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2jmg h GLY 56 CO 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.58 2jmg h ARG 58 N -0.59 0.19 -0.84 0.00 2.43 -1.71 0.78 114.38 114.63 2jmg h ARG 58 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2jmg h ARG 58 Cb 0.00 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 2jmg h ARG 58 CO 0.00 0.12 0.49 0.37 -1.51 0.00 0.00 179.97 179.45 2jmg h GLN 59 N 0.19 1.15 -0.30 0.20 5.75 -1.67 -2.73 115.11 117.71 2jmg h GLN 59 Ca 0.72 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 59.14 2jmg h GLN 59 Cb 2.18 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 30.46 2jmg h GLN 59 CO -0.34 0.82 0.12 0.82 -2.65 0.00 0.00 178.83 177.60 2jmg h ILE 60 N 1.17 0.94 -0.64 2.39 2.04 0.54 -1.52 117.51 122.43 2jmg h ILE 60 Ca 0.30 -0.09 0.16 0.00 1.00 0.00 0.00 64.86 66.23 2jmg h ILE 60 Cb -0.02 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2jmg h ILE 60 CO -0.05 0.05 0.45 -0.07 0.00 0.00 0.00 178.15 178.52 2jmg h LEU 61 N 0.26 0.17 -1.12 1.44 3.38 -1.41 0.53 115.31 118.55 2jmg h LEU 61 Ca 0.13 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2jmg h LEU 61 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jmg h LEU 61 CO -0.12 0.09 -0.25 1.23 0.09 0.00 0.00 178.44 179.48 2jmg h GLY 62 N 0.18 0.33 0.58 0.83 0.00 -1.19 0.51 103.07 104.31 2jmg h GLY 62 Ca 0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2jmg h GLY 62 CO -0.05 0.23 -0.24 1.46 0.00 0.00 0.00 176.54 177.94 2jmg h GLN 63 N 0.27 0.24 0.00 4.80 4.20 -0.80 -3.23 115.11 120.60 2jmg h GLN 63 Ca 0.04 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2jmg h GLN 63 Cb 0.60 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2jmg h GLN 63 CO 0.04 0.85 0.00 -0.07 -0.67 0.00 0.00 178.83 178.98 2jmg h LEU 64 N -0.31 0.00 -0.07 1.46 3.38 -1.41 -3.34 115.31 115.02 2jmg h LEU 64 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jmg h LEU 64 Cb 0.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2jmg h LEU 64 CO 0.05 0.00 -0.52 1.56 0.09 0.00 0.00 178.44 179.61 2jmg h GLN 65 N 0.00 -0.59 0.00 1.13 1.08 0.02 0.43 115.11 117.18 2jmg h GLN 65 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2jmg h GLN 65 Cb 0.85 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2jmg h GLN 65 CO 0.00 -0.39 0.00 -0.35 -0.95 0.00 0.00 178.83 177.14 2jmg n PRO 66 N -5.45 0.48 -0.00 1.46 -0.04 -1.25 -1.92 135.00 128.28 2jmg n PRO 66 Ca -0.06 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 2jmg n PRO 66 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.00 1.31 -0.35 3.54 7.64 0.63 -4.54 113.62 120.85 2jmg n SER 67 Ca 0.12 -0.44 -0.02 0.00 1.01 0.00 0.00 58.87 59.53 2jmg n SER 67 Cb 0.05 1.21 0.13 0.00 -1.01 0.00 0.00 64.21 64.59 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 1.12 -0.90 -3.43 3.38 0.40 0.28 115.31 116.16 2jmg h LEU 68 Ca 0.00 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.12 2jmg h LEU 68 Cb 0.36 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 2jmg h LEU 68 CO 0.00 0.82 0.45 -0.61 0.09 0.00 0.00 178.44 179.19 2jmg h GLN 69 N 1.31 0.52 -1.19 1.13 5.75 -1.80 -2.88 115.11 117.96 2jmg h GLN 69 Ca 0.35 -0.03 -0.45 0.00 -0.15 0.00 0.00 58.65 58.37 2jmg h GLN 69 Cb -0.14 -0.12 -0.41 0.00 1.07 0.00 0.00 27.48 27.89 2jmg h GLN 69 CO -0.07 0.35 -1.02 2.41 -2.65 0.00 0.00 178.83 177.85 2jmg n THR 70 N -4.93 1.53 -4.46 2.39 -1.04 -0.89 -5.08 114.28 101.80 2jmg n THR 70 Ca 0.21 -3.78 -0.34 0.00 -2.04 0.00 0.00 64.05 58.10 2jmg n THR 70 Cb 0.57 -0.08 -0.10 0.00 -1.82 0.00 0.00 70.33 68.90 2jmg n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jmg s GLY 71 N -3.29 1.79 1.09 3.41 0.00 0.94 -5.01 107.32 106.24 2jmg s GLY 71 Ca 0.35 -0.89 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 2jmg s GLY 71 CO -0.05 -0.70 1.06 -1.35 0.00 0.00 0.00 173.10 172.06 2jmg s SER 72 N -1.06 1.68 0.67 1.64 1.04 -1.26 -4.84 113.70 111.57 2jmg s SER 72 Ca 0.15 1.51 0.40 0.00 0.48 0.00 0.00 55.95 58.48 2jmg s SER 72 Cb -0.11 -2.22 2.16 0.00 0.10 0.00 0.00 66.02 65.94 2jmg s SER 72 CO 0.04 -3.76 2.22 -0.08 0.98 0.00 0.00 173.24 172.64 2jmg h GLU 73 N -2.32 0.00 -0.61 4.02 4.22 -2.01 -1.29 114.58 116.59 2jmg h GLU 73 Ca -0.57 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.81 2jmg h GLU 73 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2jmg h GLU 73 CO 0.51 0.00 0.17 0.93 -2.18 0.00 0.00 179.01 178.44 2jmg h GLU 74 N 0.00 0.96 -0.38 1.92 3.07 -2.01 -2.78 114.58 115.36 2jmg h GLU 74 Ca 0.00 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.55 2jmg h GLU 74 Cb 0.23 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 2jmg h GLU 74 CO -0.00 0.87 -0.16 1.25 -1.40 0.00 0.00 179.01 179.57 2jmg h LEU 75 N 0.88 0.68 -1.36 1.33 5.85 -1.55 -2.79 115.31 118.35 2jmg h LEU 75 Ca 0.19 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2jmg h LEU 75 Cb 0.32 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2jmg h LEU 75 CO -0.00 0.85 0.47 0.03 -0.34 0.00 0.00 178.44 179.46 2jmg h ARG 76 N 0.62 0.76 0.00 1.25 3.08 -1.49 0.06 114.38 118.66 2jmg h ARG 76 Ca 0.10 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2jmg h ARG 76 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2jmg h ARG 76 CO 0.04 0.51 -0.33 0.77 -1.07 0.00 0.00 179.97 179.88 2jmg h SER 77 N 0.79 0.00 0.03 7.04 0.02 -1.34 -2.97 113.55 117.12 2jmg h SER 77 Ca 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2jmg h SER 77 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2jmg h SER 77 CO -0.10 0.33 -0.02 0.25 -1.14 0.00 0.00 176.83 176.16 2jmg h LEU 78 N 0.00 -0.04 -0.93 5.07 5.85 -1.00 -3.28 115.31 120.98 2jmg h LEU 78 Ca -0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 2jmg h LEU 78 Cb 0.74 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 41.60 2jmg h LEU 78 CO 0.04 0.37 -0.09 0.22 -0.34 0.00 0.00 178.44 178.64 2jmg h TYR 79 N -0.85 -0.25 0.00 1.25 3.20 -1.28 0.27 116.97 119.31 2jmg h TYR 79 Ca -0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2jmg h TYR 79 Cb 0.04 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2jmg h TYR 79 CO 0.00 -0.39 0.00 0.09 -1.64 0.00 0.00 178.16 176.22 2jmg n ASN 80 N -5.52 0.00 0.15 -2.11 4.13 -1.12 -0.78 115.26 110.01 2jmg n ASN 80 Ca 0.18 0.92 -0.15 0.00 1.68 0.00 0.00 54.58 57.21 2jmg n ASN 80 Cb 0.59 -0.42 -0.07 0.00 -1.54 0.00 0.00 39.78 38.34 2jmg n ASN 80 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2jmg h THR 81 N 0.00 0.18 -0.98 3.41 2.02 -1.42 -2.27 112.91 113.85 2jmg h THR 81 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 2jmg h THR 81 Cb 0.00 0.18 -0.18 0.00 -1.74 0.00 0.00 68.15 66.41 2jmg h THR 81 CO 0.00 0.00 -0.17 -0.38 0.37 0.00 0.00 175.52 175.34 2jmg n ILE 82 N -5.47 -0.41 -0.15 3.11 2.08 0.86 0.79 119.36 120.17 2jmg n ILE 82 Ca -0.08 2.22 -0.05 0.00 0.56 0.00 0.00 62.75 65.40 2jmg n ILE 82 Cb 0.38 -3.11 0.04 0.00 -0.75 0.00 0.00 39.64 36.20 2jmg n ILE 82 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jmg h ALA 83 N 1.96 0.60 0.66 -1.39 0.00 -0.38 -2.50 119.26 118.21 2jmg h ALA 83 Ca 0.50 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 2jmg h ALA 83 Cb 0.85 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2jmg h ALA 83 CO -0.98 -0.11 -0.32 0.28 0.00 0.00 0.00 179.25 178.12 2jmg h VAL 84 N 0.47 0.35 -0.82 0.00 2.07 0.72 -2.96 116.25 116.08 2jmg h VAL 84 Ca 0.20 -0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 2jmg h VAL 84 Cb 0.11 0.35 -0.15 0.00 -1.52 0.00 0.00 31.29 30.07 2jmg h VAL 84 CO -0.14 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 177.54 2jmg h LEU 85 N -0.89 -0.69 -0.78 2.57 5.85 -0.94 0.31 115.31 120.73 2jmg h LEU 85 Ca -0.09 0.24 0.18 0.00 0.84 0.00 0.00 57.88 59.05 2jmg h LEU 85 Cb 0.68 0.49 -0.12 0.00 0.37 0.00 0.00 40.66 42.08 2jmg h LEU 85 CO 0.15 -0.26 0.18 0.22 -0.34 0.00 0.00 178.44 178.38 2jmg h TYR 86 N 0.01 0.26 -0.83 1.25 3.20 -1.28 0.28 116.97 119.86 2jmg h TYR 86 Ca 0.41 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.32 2jmg h TYR 86 Cb 0.66 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 2jmg h TYR 86 CO -0.61 -0.14 0.51 0.00 -1.64 0.00 0.00 178.16 176.29 2jmg h VAL 88 N 1.14 0.00 -0.41 0.00 2.07 -0.07 0.54 116.25 119.52 2jmg h VAL 88 Ca 0.30 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.94 2jmg h VAL 88 Cb -0.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 2jmg h VAL 88 CO -0.06 0.00 0.36 0.45 0.02 0.00 0.00 177.57 178.34 2jmg h HIS 89 N -0.27 0.00 -0.04 1.57 -0.00 -1.46 0.43 115.15 115.38 2jmg h HIS 89 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2jmg h HIS 89 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2jmg h HIS 89 CO -0.04 0.00 0.00 0.94 -0.00 0.00 0.00 177.93 178.83 2jmg n GLN 90 N -4.02 1.12 -0.40 2.45 -0.06 -0.74 -4.83 117.38 110.90 2jmg n GLN 90 Ca 0.07 -0.18 0.00 0.00 -2.00 0.00 0.00 57.00 54.89 2jmg n GLN 90 Cb 0.55 -1.20 0.00 0.00 -4.06 0.00 0.00 30.24 25.53 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 -0.51 0.00 -2.36 3.69 0.00 0.15 -4.98 116.66 112.66 2jmg n ARG 91 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.53 2jmg n ARG 91 Cb 0.08 -2.22 -0.03 0.00 0.00 0.00 0.00 32.46 30.29 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 -3.12 3.67 -0.54 5.15 1.01 0.18 -4.95 121.20 122.60 2jmg s ILE 92 Ca 0.00 1.30 0.03 0.00 0.00 0.00 0.00 60.65 61.98 2jmg s ILE 92 Cb 0.00 -3.83 0.42 0.00 0.01 0.00 0.00 42.46 39.06 2jmg s ILE 92 CO 0.00 0.16 1.49 -0.67 0.00 0.00 0.00 174.94 175.92 2jmg n ASP 93 N 3.16 5.90 -1.34 3.58 -0.08 -1.26 -3.49 116.55 123.03 2jmg n ASP 93 Ca 0.07 -3.77 -0.17 0.00 -1.51 0.00 0.00 54.79 49.41 2jmg n ASP 93 Cb 0.45 -0.66 -0.02 0.00 2.34 0.00 0.00 41.12 43.23 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 -0.62 0.05 0.25 5.18 0.24 -1.26 -4.70 118.33 117.47 2jmg n VAL 94 Ca 0.47 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.89 2jmg n VAL 94 Cb 0.63 0.00 0.66 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.84 0.00 -2.37 7.34 3.64 -1.95 -3.43 116.57 120.65 2jmg h LYS 95 Ca -0.15 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.48 2jmg h LYS 95 Cb 0.43 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 2jmg h LYS 95 CO 0.19 0.00 0.75 0.16 -2.27 0.00 0.00 179.45 178.28 2jmg s ASP 96 N -4.33 0.01 0.48 4.20 1.47 -1.26 -4.10 116.67 113.15 2jmg s ASP 96 Ca -0.01 -0.46 0.32 0.00 1.18 0.00 0.00 52.55 53.59 2jmg s ASP 96 Cb 0.08 0.33 1.48 0.00 -0.34 0.00 0.00 42.92 44.47 2jmg s ASP 96 CO 0.29 -0.65 1.97 0.74 0.68 0.00 0.00 175.17 178.20 2jmg h THR 97 N 2.00 0.00 0.04 2.11 2.02 -1.11 -2.99 112.91 114.98 2jmg h THR 97 Ca -0.25 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2jmg h THR 97 Cb 1.20 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2jmg h THR 97 CO 0.34 0.00 -0.02 0.50 0.37 0.00 0.00 175.52 176.71 2jmg h LYS 98 N 0.00 -0.06 -0.09 6.66 3.64 -1.86 -3.09 116.57 121.78 2jmg h LYS 98 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2jmg h LYS 98 Cb 0.32 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jmg h LYS 98 CO 0.00 0.50 0.16 0.93 -2.27 0.00 0.00 179.45 178.77 2jmg h GLU 99 N -0.66 0.00 -0.11 1.90 5.08 -1.92 0.29 114.58 119.16 2jmg h GLU 99 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2jmg h GLU 99 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jmg h GLU 99 CO 0.01 0.00 -0.77 0.00 -1.00 0.00 0.00 179.01 177.25 2jmg h ALA 100 N 1.77 0.44 0.00 3.43 0.00 -1.54 -2.50 119.26 120.86 2jmg h ALA 100 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jmg h ALA 100 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jmg h ALA 100 CO -0.00 0.72 -0.88 -0.11 0.00 0.00 0.00 179.25 178.98 2jmg n LEU 101 N -3.88 0.67 -0.69 0.00 -0.00 -0.15 -2.73 117.00 110.22 2jmg n LEU 101 Ca -0.06 0.14 0.13 0.00 -0.00 0.00 0.00 56.01 56.22 2jmg n LEU 101 Cb 0.74 -0.12 0.35 0.00 -0.00 0.00 0.00 43.42 44.38 2jmg n LEU 101 CO 0.51 -0.04 0.77 -0.67 -0.00 0.00 0.00 177.39 177.96 2jmg n ASP 102 N -2.15 2.14 0.00 1.96 2.03 0.85 -3.72 116.55 117.65 2jmg n ASP 102 Ca 0.02 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.61 2jmg n ASP 102 Cb 0.46 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.67 2.18 0.14 -0.67 4.81 -0.94 -4.67 118.16 119.67 2jmg n LYS 103 Ca 0.17 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2jmg n LYS 103 Cb 0.45 -0.98 0.04 0.00 0.02 0.00 0.00 35.03 34.56 2jmg n LYS 103 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2jmg h ILE 104 N 0.00 0.87 -0.07 3.15 2.10 -1.66 -3.22 117.51 118.68 2jmg h ILE 104 Ca 0.00 -2.20 -0.10 0.00 1.08 0.00 0.00 64.86 63.65 2jmg h ILE 104 Cb 0.52 2.40 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 2jmg h ILE 104 CO 0.00 0.49 -0.40 -0.33 -1.08 0.00 0.00 178.15 176.83 2jmg h GLU 105 N 0.00 0.14 -0.04 2.19 5.08 -1.83 -2.41 114.58 117.71 2jmg h GLU 105 Ca -0.01 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2jmg h GLU 105 Cb 1.36 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2jmg h GLU 105 CO 0.07 0.52 -0.78 1.49 -1.00 0.00 0.00 179.01 179.30 2jmg h GLU 106 N 0.12 0.31 -0.05 2.33 4.57 -1.83 -0.94 114.58 119.09 2jmg h GLU 106 Ca 0.01 -0.28 -0.13 0.00 -1.18 0.00 0.00 59.36 57.78 2jmg h GLU 106 Cb 0.76 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 2jmg h GLU 106 CO 0.06 0.95 -0.58 1.49 -1.18 0.00 0.00 179.01 179.75 2jmg h GLU 107 N 0.20 0.15 0.00 1.92 4.57 -1.54 -3.09 114.58 116.78 2jmg h GLU 107 Ca -0.04 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 57.86 2jmg h GLU 107 Cb 1.37 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 2jmg h GLU 107 CO 0.13 0.68 -1.13 1.96 -1.18 0.00 0.00 179.01 179.47 2jmg h GLN 108 N 0.11 0.00 -0.88 1.92 7.50 -1.40 -3.33 115.11 119.03 2jmg h GLN 108 Ca -0.00 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.24 2jmg h GLN 108 Cb 1.05 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.52 2jmg h GLN 108 CO 0.08 0.54 0.57 -0.91 -1.50 0.00 0.00 178.83 177.62 2jmg h ASN 109 N 0.00 0.81 0.16 1.46 -0.26 -1.08 0.79 115.58 117.45 2jmg h ASN 109 Ca -0.11 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 2jmg h ASN 109 Cb 1.65 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.76 2jmg h ASN 109 CO 0.08 0.48 -0.07 0.50 -1.06 0.00 0.00 177.43 177.36 2jmg h LYS 110 N 0.90 0.00 -0.64 0.81 3.64 -1.66 -1.62 116.57 117.99 2jmg h LYS 110 Ca 0.40 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.44 2jmg h LYS 110 Cb 0.37 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.99 2jmg h LYS 110 CO -0.17 0.07 0.24 0.45 -2.27 0.00 0.00 179.45 177.77 2jmg n SER 111 N -3.86 3.10 -0.12 4.20 2.88 0.25 -4.53 113.62 115.53 2jmg n SER 111 Ca -0.02 -3.72 -0.25 0.00 -1.33 0.00 0.00 58.87 53.54 2jmg n SER 111 Cb 0.16 -0.73 -0.11 0.00 -0.75 0.00 0.00 64.21 62.78 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 -1.13 0.59 0.20 -1.46 4.81 -0.61 -4.16 118.16 116.39 2jmg n LYS 112 Ca 0.45 0.41 0.16 0.00 -0.87 0.00 0.00 58.31 58.46 2jmg n LYS 112 Cb 1.31 -1.63 0.80 0.00 0.02 0.00 0.00 35.03 35.53 2jmg n LYS 112 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2jmg h LYS 113 N -0.91 0.00 -0.89 1.64 3.64 -1.80 0.12 116.57 118.38 2jmg h LYS 113 Ca -0.52 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.56 2jmg h LYS 113 Cb 1.50 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.14 2jmg h LYS 113 CO -0.28 0.00 0.38 1.17 -2.27 0.00 0.00 179.45 178.45 2jmg n LYS 114 N -3.97 2.74 -2.36 1.90 3.00 -1.26 -4.25 118.16 113.96 2jmg n LYS 114 Ca 0.01 -2.56 -0.03 0.00 -0.00 0.00 0.00 58.31 55.74 2jmg n LYS 114 Cb 0.30 -2.04 0.04 0.00 0.00 0.00 0.00 35.03 33.33 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jmg n ALA 115 N -0.45 -0.61 -1.73 3.14 0.00 0.39 -4.99 120.51 116.26 2jmg n ALA 115 Ca 0.42 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 53.34 2jmg n ALA 115 Cb 1.35 -0.84 0.12 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.60 0.94 0.19 0.00 7.27 -0.98 -4.73 117.38 119.47 2jmg n GLN 116 Ca -0.14 -2.53 0.04 0.00 0.07 0.00 0.00 57.00 54.44 2jmg n GLN 116 Cb 0.69 -1.07 0.35 0.00 2.41 0.00 0.00 30.24 32.62 2jmg n GLN 116 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2jmg h GLN 117 N 0.63 0.00 0.00 3.69 4.20 -1.90 -3.24 115.11 118.49 2jmg h GLN 117 Ca -0.05 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.39 2jmg h GLN 117 Cb 1.26 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 2jmg h GLN 117 CO 0.02 0.39 -2.05 0.00 -0.67 0.00 0.00 178.83 176.52 2jmg n ALA 118 N -2.36 1.69 -1.49 3.87 0.00 -1.26 -4.55 120.51 116.40 2jmg n ALA 118 Ca -0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 53.44 52.17 2jmg n ALA 118 Cb 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.54 6.44 -2.15 0.00 0.00 -1.22 -3.96 120.51 117.08 2jmg n ALA 119 Ca -0.24 -3.06 -0.01 0.00 0.00 0.00 0.00 53.44 50.13 2jmg n ALA 119 Cb 0.97 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 2jmg n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n ALA 120 N 0.83 2.76 0.00 0.00 0.00 -1.24 -4.92 120.51 117.95 2jmg n ALA 120 Ca 0.49 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2jmg n ALA 120 Cb 0.54 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.15 0.66 -4.76 0.00 5.68 -1.25 -5.08 116.55 111.94 2jmg n ASP 121 Ca -0.09 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.82 2jmg n ASP 121 Cb 0.79 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.80 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2jmg s THR 122 N -1.72 2.28 -0.30 2.12 -4.23 -1.26 -5.01 115.64 107.52 2jmg s THR 122 Ca 0.00 0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 2jmg s THR 122 Cb 0.00 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.93 2jmg s THR 122 CO 0.00 0.01 1.29 -0.83 -0.54 0.00 0.00 174.62 174.55 2jmg s GLY 123 N -0.90 0.56 -0.20 3.99 0.00 -1.26 -5.11 107.32 104.40 2jmg s GLY 123 Ca 0.67 3.83 -0.29 0.00 0.00 0.00 0.00 44.72 48.93 2jmg s GLY 123 CO 0.48 2.99 1.05 0.21 0.00 0.00 0.00 173.10 177.82 2jmg s ASN 124 N 1.35 -0.35 -0.44 1.64 2.47 -1.26 -5.11 114.94 113.25 2jmg s ASN 124 Ca -0.05 0.45 0.05 0.00 0.42 0.00 0.00 52.86 53.73 2jmg s ASN 124 Cb -0.02 0.38 0.19 0.00 -1.45 0.00 0.00 41.25 40.36 2jmg s ASN 124 CO -0.12 -0.27 0.50 -3.20 -3.72 0.00 0.00 177.10 170.29 2jmg n ASN 125 N 1.01 -1.26 -3.56 -4.21 2.85 -1.26 -5.07 115.26 103.77 2jmg n ASN 125 Ca -0.10 -2.62 -0.29 0.00 -0.11 0.00 0.00 54.58 51.46 2jmg n ASN 125 Cb 0.58 0.14 -0.13 0.00 1.24 0.00 0.00 39.78 41.60 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2jmg s SER 126 N -0.07 3.39 -0.03 1.20 0.01 -1.26 -4.99 113.70 111.95 2jmg s SER 126 Ca 0.33 -1.89 -0.05 0.00 1.31 0.00 0.00 55.95 55.64 2jmg s SER 126 Cb 0.06 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 2jmg s SER 126 CO -0.15 -0.36 -0.10 0.00 0.41 0.00 0.00 173.24 173.04 2jmg n GLN 127 N 4.47 0.15 -3.86 12.44 1.13 -1.26 -5.05 117.38 125.40 2jmg n GLN 127 Ca 0.04 0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 2jmg n GLN 127 Cb 0.39 -0.66 -0.04 0.00 0.11 0.00 0.00 30.24 30.04 2jmg n GLN 127 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2jmg s VAL 128 N -1.80 5.33 -0.30 5.09 -7.23 -1.26 -5.09 120.40 115.14 2jmg s VAL 128 Ca -0.08 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 2jmg s VAL 128 Cb 0.01 -3.63 0.17 0.00 0.56 0.00 0.00 36.38 33.48 2jmg s VAL 128 CO 0.12 0.10 0.87 -0.55 -0.31 0.00 0.00 175.10 175.34 2jmg s SER 129 N -2.53 -0.80 0.03 4.85 0.15 -1.26 -5.17 113.70 108.97 2jmg s SER 129 Ca 0.36 0.85 0.08 0.00 0.70 0.00 0.00 55.95 57.95 2jmg s SER 129 Cb -0.13 1.81 -0.02 0.00 -1.71 0.00 0.00 66.02 65.97 2jmg s SER 129 CO 0.27 -0.15 -0.24 0.00 1.20 0.00 0.00 173.24 174.32 2jmg s GLN 130 N 2.70 1.71 0.00 5.44 -2.07 -1.26 -5.00 119.66 121.19 2jmg s GLN 130 Ca 0.01 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.56 2jmg s GLN 130 Cb -0.09 -1.81 0.00 0.00 -1.09 0.00 0.00 33.01 30.02 2jmg s GLN 130 CO -0.17 0.47 0.00 0.09 -1.32 0.00 0.00 175.29 174.36 2jmg n ASN 131 N 1.99 0.00 0.00 12.60 4.13 -1.26 -5.33 115.26 127.39 2jmg n ASN 131 Ca -0.17 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.23 2jmg n ASN 131 Cb 0.52 0.13 0.79 0.00 -1.54 0.00 0.00 39.78 39.68 2jmg n ASN 131 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32