#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 0.41 -1.36 4.61 0.00 -1.26 -5.01 120.51 117.89 2jmg n ALA 3 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.15 2jmg n ALA 3 Cb 0.00 0.23 0.11 0.00 0.00 0.00 0.00 19.45 19.79 2jmg n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jmg n ARG 4 N -1.72 2.59 -4.60 0.00 3.00 -1.26 -4.96 116.66 109.71 2jmg n ARG 4 Ca 0.08 -3.27 -0.27 0.00 -0.00 0.00 0.00 57.85 54.38 2jmg n ARG 4 Cb 0.29 -2.23 -0.10 0.00 0.00 0.00 0.00 32.46 30.42 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jmg s ALA 5 N -3.63 3.14 0.62 5.13 0.00 -1.26 -5.14 121.76 120.61 2jmg s ALA 5 Ca 0.61 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 2jmg s ALA 5 Cb 0.49 0.33 0.08 0.00 0.00 0.00 0.00 23.12 24.01 2jmg s ALA 5 CO 0.03 -0.17 0.53 0.43 0.00 0.00 0.00 175.76 176.58 2jmg n SER 6 N -1.00 0.61 -0.02 0.00 7.64 -1.26 -5.03 113.62 114.56 2jmg n SER 6 Ca -0.07 -1.54 -0.02 0.00 1.01 0.00 0.00 58.87 58.24 2jmg n SER 6 Cb 0.67 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 2jmg n SER 6 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jmg n ARG 7 N -2.01 3.13 -1.53 1.43 1.74 -1.26 -5.04 116.66 113.13 2jmg n ARG 7 Ca 0.08 -0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 2jmg n ARG 7 Cb 0.30 -1.12 0.07 0.00 -1.02 0.00 0.00 32.46 30.69 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 -4.38 3.27 0.00 0.55 1.43 -1.26 -5.06 118.68 113.23 2jmg s LEU 8 Ca -0.03 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2jmg s LEU 8 Cb 0.01 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.68 2jmg s LEU 8 CO 0.19 -1.93 0.02 -1.54 0.23 0.00 0.00 176.35 173.33 2jmg n SER 9 N -2.82 1.58 -0.27 2.29 3.41 -1.26 -4.96 113.62 111.59 2jmg n SER 9 Ca 0.11 -1.59 0.08 0.00 -0.26 0.00 0.00 58.87 57.20 2jmg n SER 9 Cb 0.52 0.20 0.22 0.00 -0.26 0.00 0.00 64.21 64.90 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jmg h GLY 10 N 0.39 1.26 0.71 5.00 0.00 -1.97 0.38 103.07 108.84 2jmg h GLY 10 Ca -0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2jmg h GLY 10 CO 0.16 -0.16 -0.48 -1.33 0.00 0.00 0.00 176.54 174.72 2jmg h GLY 11 N 0.41 -1.26 2.00 4.60 0.00 -2.02 -2.20 103.07 104.61 2jmg h GLY 11 Ca 0.46 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 48.33 2jmg h GLY 11 CO -0.46 -0.41 -0.03 -2.09 0.00 0.00 0.00 176.54 173.55 2jmg h GLU 12 N -1.10 0.00 0.00 4.80 4.81 -1.84 -2.03 114.58 119.22 2jmg h GLU 12 Ca -0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2jmg h GLU 12 Cb 0.91 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 2jmg h GLU 12 CO 0.04 0.03 -0.13 1.25 -0.73 0.00 0.00 179.01 179.46 2jmg h LEU 13 N 0.00 0.00 -0.59 1.64 5.85 0.35 -2.07 115.31 120.48 2jmg h LEU 13 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2jmg h LEU 13 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2jmg h LEU 13 CO 0.00 0.13 -0.10 -0.78 -0.34 0.00 0.00 178.44 177.36 2jmg h ASP 14 N 0.00 1.02 0.21 1.25 3.58 -0.95 -2.34 116.42 119.18 2jmg h ASP 14 Ca -0.00 -0.33 -0.28 0.00 0.42 0.00 0.00 57.03 56.84 2jmg h ASP 14 Cb 0.55 -0.28 0.03 0.00 1.72 0.00 0.00 39.33 41.36 2jmg h ASP 14 CO 0.02 1.12 -1.24 0.11 -2.88 0.00 0.00 179.24 176.36 2jmg h LYS 15 N 0.91 0.44 -0.85 0.28 1.57 -1.65 -2.92 116.57 114.35 2jmg h LYS 15 Ca 0.14 -0.74 0.11 0.00 -1.87 0.00 0.00 60.65 58.29 2jmg h LYS 15 Cb 0.66 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 2jmg h LYS 15 CO 0.05 1.36 0.55 2.35 -0.57 0.00 0.00 179.45 183.18 2jmg h TRP 16 N -0.07 0.84 -0.01 -1.35 2.91 -1.39 0.24 115.95 117.13 2jmg h TRP 16 Ca -0.22 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.82 2jmg h TRP 16 Cb 1.96 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 30.34 2jmg h TRP 16 CO 0.15 0.36 -0.14 0.39 -1.03 0.00 0.00 178.44 178.18 2jmg n GLU 17 N -4.53 1.11 0.16 2.65 1.02 -0.88 -3.71 120.64 116.46 2jmg n GLU 17 Ca 0.15 -0.61 0.07 0.00 -0.02 0.00 0.00 57.16 56.75 2jmg n GLU 17 Cb 0.37 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.49 0.00 -6.15 3.49 3.11 -0.31 -3.42 116.57 114.78 2jmg h LYS 18 Ca 0.00 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 57.28 2jmg h LYS 18 Cb 0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.65 2jmg h LYS 18 CO 0.00 0.27 0.42 0.42 -2.81 0.00 0.00 179.45 177.75 2jmg s ILE 19 N -3.08 4.86 -0.09 2.00 1.09 -1.15 -4.98 121.20 119.85 2jmg s ILE 19 Ca 0.05 1.84 -0.20 0.00 -1.10 0.00 0.00 60.65 61.24 2jmg s ILE 19 Cb 0.07 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2jmg s ILE 19 CO 0.72 0.06 0.56 -0.13 -0.10 0.00 0.00 174.94 176.05 2jmg s ARG 20 N 1.77 4.36 0.18 2.79 3.00 -1.26 -2.52 118.95 127.27 2jmg s ARG 20 Ca 0.44 0.61 -0.13 0.00 0.00 0.00 0.00 55.73 56.65 2jmg s ARG 20 Cb -0.18 -3.42 0.13 0.00 0.00 0.00 0.00 34.95 31.48 2jmg s ARG 20 CO 0.18 0.17 1.80 -0.07 0.00 0.00 0.00 175.30 177.37 2jmg h LEU 21 N 6.57 0.46-10.02 2.53 3.38 -0.70 -0.04 115.31 117.49 2jmg h LEU 21 Ca -0.42 0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.08 2jmg h LEU 21 Cb 1.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2jmg h LEU 21 CO 0.75 0.32 -0.49 -0.13 0.09 0.00 0.00 178.44 178.98 2jmg s ARG 22 N -6.13 3.16 0.00 1.13 1.81 -1.26 -3.38 118.95 114.29 2jmg s ARG 22 Ca -0.13 -0.89 -0.24 0.00 -1.72 0.00 0.00 55.73 52.75 2jmg s ARG 22 Cb 0.14 -2.73 -0.18 0.00 -0.45 0.00 0.00 34.95 31.73 2jmg s ARG 22 CO 0.74 0.43 1.30 -1.00 -0.68 0.00 0.00 175.30 176.09 2jmg h PRO 23 N 1.47 0.15 0.00 3.54 0.13 -1.91 -3.37 132.00 132.00 2jmg h PRO 23 Ca -0.50 -0.08 -0.25 0.00 -0.87 0.00 0.00 66.00 64.30 2jmg h PRO 23 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2jmg h PRO 23 CO 0.61 0.59 -2.13 0.41 -0.23 0.00 0.00 178.00 177.25 2jmg n GLY 24 N 0.21 -0.87 2.19 1.56 0.00 -1.26 -4.95 105.19 102.07 2jmg n GLY 24 Ca -0.07 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 1.82 -3.47 0.21 -0.02 0.00 -1.26 -4.96 105.19 97.50 2jmg n GLY 25 Ca -0.23 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.94 2.91 -2.60 1.61 5.02 -1.26 -4.81 118.16 115.08 2jmg n LYS 26 Ca 0.09 -1.72 -0.34 0.00 -2.02 0.00 0.00 58.31 54.32 2jmg n LYS 26 Cb 0.37 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jmg s LYS 27 N -1.08 3.94 0.12 1.97 1.02 -1.26 -4.95 119.74 119.49 2jmg s LYS 27 Ca 0.08 1.33 0.02 0.00 0.02 0.00 0.00 55.97 57.43 2jmg s LYS 27 Cb 0.05 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 2jmg s LYS 27 CO 0.05 -0.31 0.09 1.04 -0.92 0.00 0.00 175.35 175.30 2jmg n GLN 28 N -0.78 0.25 -3.60 1.68 6.02 -1.26 -0.04 117.38 119.65 2jmg n GLN 28 Ca 0.08 -1.15 -0.32 0.00 -0.01 0.00 0.00 57.00 55.60 2jmg n GLN 28 Cb 0.52 0.89 -0.05 0.00 1.02 0.00 0.00 30.24 32.63 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2jmg s TYR 29 N -2.40 3.46 0.26 1.08 2.02 -1.05 -4.54 117.35 116.18 2jmg s TYR 29 Ca 0.13 0.65 -0.02 0.00 -0.37 0.00 0.00 57.07 57.46 2jmg s TYR 29 Cb 0.01 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2jmg s TYR 29 CO 0.09 0.39 0.27 0.15 -1.57 0.00 0.00 175.55 174.88 2jmg s LYS 30 N -2.69 1.49 0.49 -0.62 3.01 -1.26 -4.27 119.74 115.89 2jmg s LYS 30 Ca 0.43 -1.67 0.24 0.00 -1.01 0.00 0.00 55.97 53.96 2jmg s LYS 30 Cb -0.12 0.34 1.30 0.00 -1.01 0.00 0.00 37.83 38.34 2jmg s LYS 30 CO 0.24 -0.55 1.91 -0.07 0.51 0.00 0.00 175.35 177.39 2jmg h LEU 31 N 2.38 0.16 -0.90 3.17 3.38 -1.99 -1.07 115.31 120.43 2jmg h LEU 31 Ca -0.31 0.01 0.24 0.00 0.09 0.00 0.00 57.88 57.92 2jmg h LEU 31 Cb 1.24 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.84 2jmg h LEU 31 CO 0.44 0.07 0.34 0.50 0.09 0.00 0.00 178.44 179.88 2jmg h LYS 32 N 0.16 0.28 -0.12 1.13 3.64 -2.00 0.35 116.57 120.01 2jmg h LYS 32 Ca 0.39 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 2jmg h LYS 32 Cb 1.28 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2jmg h LYS 32 CO -0.07 0.19 -0.35 0.45 -2.27 0.00 0.00 179.45 177.41 2jmg h HIS 33 N 0.29 0.59 -0.87 1.91 3.86 -1.61 -2.47 115.15 116.86 2jmg h HIS 33 Ca 0.58 -0.23 0.10 0.00 -1.16 0.00 0.00 60.37 59.66 2jmg h HIS 33 Cb 1.18 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 29.47 2jmg h HIS 33 CO -0.18 0.96 0.50 0.82 0.86 0.00 0.00 177.93 180.90 2jmg h ILE 34 N 0.04 0.90 0.69 2.45 2.04 -1.03 0.79 117.51 123.39 2jmg h ILE 34 Ca -0.01 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2jmg h ILE 34 Cb 0.96 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2jmg h ILE 34 CO 0.07 0.15 -0.33 0.58 0.00 0.00 0.00 178.15 178.63 2jmg h VAL 35 N 0.83 0.00 -0.87 1.67 2.07 -1.17 -0.09 116.25 118.68 2jmg h VAL 35 Ca 0.42 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.82 2jmg h VAL 35 Cb 0.40 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 2jmg h VAL 35 CO -0.26 0.00 0.42 -0.25 0.02 0.00 0.00 177.57 177.51 2jmg h TRP 36 N -1.22 0.73 0.17 1.57 7.01 -1.26 -1.12 115.95 121.83 2jmg h TRP 36 Ca -0.09 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 2jmg h TRP 36 Cb 0.71 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 2jmg h TRP 36 CO 0.00 0.09 -0.08 0.00 -2.79 0.00 0.00 178.44 175.66 2jmg h ALA 37 N 1.63 -0.22 -0.97 2.65 0.00 -0.83 0.40 119.26 121.91 2jmg h ALA 37 Ca 0.51 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.48 2jmg h ALA 37 Cb 0.84 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2jmg h ALA 37 CO -0.43 -0.49 0.62 1.03 0.00 0.00 0.00 179.25 179.98 2jmg h SER 38 N -0.50 0.55 0.13 0.00 0.87 -0.10 -0.33 113.55 114.17 2jmg h SER 38 Ca -0.02 0.07 -0.21 0.00 -1.23 0.00 0.00 61.79 60.40 2jmg h SER 38 Cb 0.38 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2jmg h SER 38 CO 0.04 0.19 -0.97 -0.09 -0.53 0.00 0.00 176.83 175.46 2jmg h ARG 39 N 0.53 0.27 -0.33 2.24 1.12 -1.09 -3.32 114.38 113.80 2jmg h ARG 39 Ca 0.53 -0.47 0.07 0.00 -1.11 0.00 0.00 59.98 59.01 2jmg h ARG 39 Cb 1.15 0.17 -0.07 0.00 -0.01 0.00 0.00 29.97 31.21 2jmg h ARG 39 CO -0.27 1.22 -0.18 0.93 -3.11 0.00 0.00 179.97 178.57 2jmg h GLU 40 N -0.38 -0.12 -0.95 0.20 3.07 0.83 0.19 114.58 117.41 2jmg h GLU 40 Ca -0.19 0.01 0.22 0.00 -0.50 0.00 0.00 59.36 58.90 2jmg h GLU 40 Cb 1.66 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 29.52 2jmg h GLU 40 CO 0.12 -0.08 0.62 -0.07 -1.40 0.00 0.00 179.01 178.20 2jmg h LEU 41 N -0.13 0.46 -1.92 1.33 3.38 -1.25 0.39 115.31 117.59 2jmg h LEU 41 Ca 0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jmg h LEU 41 Cb 0.39 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jmg h LEU 41 CO -0.41 0.16 0.06 -0.08 0.09 0.00 0.00 178.44 178.27 2jmg h GLU 42 N 0.45 0.11 0.00 1.13 4.81 -0.86 -0.30 114.58 119.92 2jmg h GLU 42 Ca 0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2jmg h GLU 42 Cb 1.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jmg h GLU 42 CO -0.23 0.07 -0.43 -0.09 -0.73 0.00 0.00 179.01 177.61 2jmg h ARG 43 N 0.12 0.00 -1.13 1.92 1.12 -0.14 -3.30 114.38 112.96 2jmg h ARG 43 Ca 0.04 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.57 2jmg h ARG 43 Cb 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 29.79 2jmg h ARG 43 CO -0.01 0.00 0.43 1.19 -3.11 0.00 0.00 179.97 178.48 2jmg n PHE 44 N -2.91 1.85 -1.97 2.20 3.72 -0.21 -4.83 117.46 115.31 2jmg n PHE 44 Ca 0.02 -1.59 -0.09 0.00 -0.05 0.00 0.00 57.45 55.74 2jmg n PHE 44 Cb 0.54 -0.79 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 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 -0.30 -0.55 -2.44 4.37 0.00 -1.22 -4.91 120.51 115.46 2jmg n ALA 45 Ca 0.36 0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.63 2jmg n ALA 45 Cb 1.00 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.20 2jmg n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmg s VAL 46 N -2.14 1.79 0.20 0.00 1.01 -0.66 -5.06 120.40 115.53 2jmg s VAL 46 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 2jmg s VAL 46 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 2jmg s VAL 46 CO 0.00 0.27 0.96 0.20 0.00 0.00 0.00 175.10 176.52 2jmg s ASN 47 N -1.14 7.58 0.00 3.32 0.02 -1.26 -3.01 114.94 120.45 2jmg s ASN 47 Ca 0.09 1.91 0.15 0.00 -1.02 0.00 0.00 52.86 53.98 2jmg s ASN 47 Cb -0.09 -2.60 0.73 0.00 0.02 0.00 0.00 41.25 39.31 2jmg s ASN 47 CO 0.02 0.07 1.41 -0.81 0.02 0.00 0.00 177.10 177.81 2jmg n PRO 48 N 1.93 0.19 0.00 -0.60 -0.04 -1.26 -2.70 135.00 132.51 2jmg n PRO 48 Ca -0.00 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2jmg n PRO 48 Cb 0.48 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.17 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 -0.87 1.77 0.55 0.00 -1.26 -3.06 105.19 102.29 2jmg n GLY 49 Ca 0.07 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.94 5.30 -0.00 0.99 4.77 -1.10 -3.98 117.00 122.04 2jmg n LEU 50 Ca 0.19 -2.69 0.04 0.00 -0.03 0.00 0.00 56.01 53.51 2jmg n LEU 50 Cb 0.08 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 2jmg n LEU 50 CO 0.14 0.60 -0.12 0.18 -1.33 0.00 0.00 177.39 176.86 2jmg n LEU 51 N 0.53 0.32 0.06 2.23 4.77 -1.17 -0.59 117.00 123.15 2jmg n LEU 51 Ca 0.26 -0.41 0.03 0.00 -0.03 0.00 0.00 56.01 55.85 2jmg n LEU 51 Cb 1.12 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.16 2jmg n LEU 51 CO 0.30 0.08 -0.15 1.05 -1.33 0.00 0.00 177.39 177.34 2jmg h GLU 52 N 0.00 0.00 -6.05 3.23 4.11 -1.80 -3.46 114.58 110.60 2jmg h GLU 52 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 2jmg h GLU 52 Cb 0.23 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.30 2jmg h GLU 52 CO 0.00 0.22 -0.67 0.95 0.07 0.00 0.00 179.01 179.58 2jmg s THR 53 N -3.04 3.90 0.44 -1.06 -4.23 -1.26 -5.00 115.64 105.39 2jmg s THR 53 Ca -0.02 -0.40 0.13 0.00 -1.18 0.00 0.00 61.69 60.22 2jmg s THR 53 Cb 0.09 -2.61 0.31 0.00 1.34 0.00 0.00 72.50 71.62 2jmg s THR 53 CO 0.80 0.60 2.02 0.77 -0.54 0.00 0.00 174.62 178.26 2jmg h SER 54 N 5.29 0.35 0.47 3.99 4.64 -1.90 -0.09 113.55 126.30 2jmg h SER 54 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 2jmg h SER 54 Cb 1.18 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2jmg h SER 54 CO 0.53 0.22 -0.50 -0.08 -0.87 0.00 0.00 176.83 176.13 2jmg h GLU 55 N 0.39 0.03 -0.18 4.77 4.81 -1.94 -2.98 114.58 119.48 2jmg h GLU 55 Ca 0.22 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2jmg h GLU 55 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2jmg h GLU 55 CO -0.06 0.53 -0.16 0.78 -0.73 0.00 0.00 179.01 179.38 2jmg h GLY 56 N 1.49 0.47 0.98 1.92 0.00 -1.16 -2.68 103.07 104.10 2jmg h GLY 56 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 2jmg h GLY 56 CO 0.07 0.42 -0.49 0.00 0.00 0.00 0.00 176.54 176.54 2jmg h ARG 58 N -1.34 0.28 -0.94 0.00 2.43 -1.63 0.24 114.38 113.42 2jmg h ARG 58 Ca -0.13 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2jmg h ARG 58 Cb 1.04 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.46 2jmg h ARG 58 CO 0.21 0.19 0.60 1.96 -1.51 0.00 0.00 179.97 181.41 2jmg h GLN 59 N 0.29 1.07 -0.22 0.20 7.50 -1.28 -2.37 115.11 120.30 2jmg h GLN 59 Ca 0.49 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.56 2jmg h GLN 59 Cb 0.90 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 2jmg h GLN 59 CO -0.55 0.71 0.08 0.82 -1.50 0.00 0.00 178.83 178.38 2jmg h ILE 60 N 1.10 1.18 -0.80 2.54 2.04 0.10 -2.68 117.51 120.99 2jmg h ILE 60 Ca 0.40 -0.55 0.15 0.00 1.00 0.00 0.00 64.86 65.86 2jmg h ILE 60 Cb 0.14 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2jmg h ILE 60 CO -0.16 0.18 0.53 -0.07 0.00 0.00 0.00 178.15 178.62 2jmg h LEU 61 N 0.19 0.46 -1.35 1.44 3.38 -0.85 0.49 115.31 119.08 2jmg h LEU 61 Ca 0.07 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2jmg h LEU 61 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jmg h LEU 61 CO -0.00 0.24 -0.14 1.23 0.09 0.00 0.00 178.44 179.85 2jmg h GLY 62 N 0.49 0.28 0.67 0.83 0.00 -1.10 0.69 103.07 104.94 2jmg h GLY 62 Ca 0.40 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 2jmg h GLY 62 CO -0.15 0.17 -0.23 1.46 0.00 0.00 0.00 176.54 177.80 2jmg h GLN 63 N 0.25 0.31 0.00 4.80 7.50 -0.84 -3.20 115.11 123.93 2jmg h GLN 63 Ca 0.05 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 58.98 2jmg h GLN 63 Cb 0.41 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2jmg h GLN 63 CO 0.02 0.83 -0.09 -0.07 -1.50 0.00 0.00 178.83 178.02 2jmg h LEU 64 N -0.16 0.00 -0.02 1.46 3.38 -1.33 -3.35 115.31 115.29 2jmg h LEU 64 Ca -0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jmg h LEU 64 Cb 0.83 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 2jmg h LEU 64 CO 0.05 0.01 -0.54 1.56 0.09 0.00 0.00 178.44 179.61 2jmg h GLN 65 N 0.00 -0.64 0.00 1.13 4.20 0.42 0.55 115.11 120.77 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 0.85 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2jmg h GLN 65 CO 0.00 -0.43 0.00 -0.35 -0.67 0.00 0.00 178.83 177.38 2jmg n PRO 66 N -5.46 0.49 -0.00 1.46 -0.04 -1.26 -1.88 135.00 128.31 2jmg n PRO 66 Ca -0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2jmg n PRO 66 Cb 0.40 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2jmg n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jmg n SER 67 N -0.97 1.01 -0.23 3.54 2.88 0.49 -4.57 113.62 115.78 2jmg n SER 67 Ca 0.11 -0.53 0.04 0.00 -1.33 0.00 0.00 58.87 57.16 2jmg n SER 67 Cb 0.05 1.09 0.29 0.00 -0.75 0.00 0.00 64.21 64.90 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jmg h LEU 68 N 0.00 0.78 -0.90 2.46 3.38 0.68 0.30 115.31 122.02 2jmg h LEU 68 Ca 0.00 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2jmg h LEU 68 Cb 0.24 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 2jmg h LEU 68 CO 0.00 0.52 0.48 -0.61 0.09 0.00 0.00 178.44 178.92 2jmg h GLN 69 N 0.90 0.61 -1.61 1.13 4.15 -1.81 -3.16 115.11 115.33 2jmg h GLN 69 Ca 0.33 -0.04 -0.44 0.00 0.77 0.00 0.00 58.65 59.27 2jmg h GLN 69 Cb 0.16 -0.14 -0.40 0.00 0.21 0.00 0.00 27.48 27.31 2jmg h GLN 69 CO -0.11 0.41 -1.18 0.25 -1.93 0.00 0.00 178.83 176.27 2jmg n THR 70 N -4.87 0.40 -4.14 2.39 -2.24 -0.72 -5.10 114.28 100.01 2jmg n THR 70 Ca 0.19 -4.02 -0.36 0.00 -2.27 0.00 0.00 64.05 57.59 2jmg n THR 70 Cb 0.50 0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.74 1.99 1.07 3.38 0.00 0.99 -5.01 107.32 107.00 2jmg s GLY 71 Ca 0.35 -0.73 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 2jmg s GLY 71 CO -0.04 -0.47 1.07 -1.35 0.00 0.00 0.00 173.10 172.31 2jmg s SER 72 N -0.93 1.70 0.59 1.64 1.04 -1.26 -4.63 113.70 111.85 2jmg s SER 72 Ca 0.14 1.79 0.29 0.00 0.48 0.00 0.00 55.95 58.65 2jmg s SER 72 Cb -0.12 -2.42 1.59 0.00 0.10 0.00 0.00 66.02 65.17 2jmg s SER 72 CO 0.03 -3.80 2.02 -0.33 0.98 0.00 0.00 173.24 172.15 2jmg h GLU 73 N -2.35 0.00 0.08 4.02 5.08 -1.99 -1.52 114.58 117.90 2jmg h GLU 73 Ca -0.54 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2jmg h GLU 73 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jmg h GLU 73 CO 0.47 0.00 -0.04 1.49 -1.00 0.00 0.00 179.01 179.93 2jmg h GLU 74 N 0.00 -0.10 -0.41 2.33 4.81 -2.00 -2.65 114.58 116.56 2jmg h GLU 74 Ca 0.13 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jmg h GLU 74 Cb 0.74 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2jmg h GLU 74 CO -0.00 0.35 0.27 1.25 -0.73 0.00 0.00 179.01 180.15 2jmg h LEU 75 N -0.59 0.46 -0.18 1.64 6.46 -1.62 -2.73 115.31 118.75 2jmg h LEU 75 Ca -0.01 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2jmg h LEU 75 Cb 0.50 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 2jmg h LEU 75 CO 0.02 0.33 -0.16 -0.09 -0.62 0.00 0.00 178.44 177.92 2jmg h ARG 76 N 0.55 -0.17 -0.65 1.25 2.43 -1.44 -1.89 114.38 114.45 2jmg h ARG 76 Ca 0.15 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.46 2jmg h ARG 76 Cb -0.06 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.44 2jmg h ARG 76 CO -0.04 -0.12 0.15 0.77 -1.51 0.00 0.00 179.97 179.23 2jmg h SER 77 N -0.18 0.02 0.28 -3.80 0.02 -1.25 -2.04 113.55 106.59 2jmg h SER 77 Ca 0.11 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2jmg h SER 77 Cb 0.35 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2jmg h SER 77 CO -0.29 0.00 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.00 2jmg h LEU 78 N 0.27 -0.94 -0.72 5.07 -0.00 -1.07 -2.54 115.31 115.39 2jmg h LEU 78 Ca 0.35 0.09 0.16 0.00 -0.00 0.00 0.00 57.88 58.47 2jmg h LEU 78 Cb 0.54 0.33 -0.13 0.00 -0.00 0.00 0.00 40.66 41.40 2jmg h LEU 78 CO -0.44 -0.46 -0.07 0.22 -0.00 0.00 0.00 178.44 177.69 2jmg h TYR 79 N -0.67 -0.19 -0.01 1.13 3.20 -0.75 0.15 116.97 119.84 2jmg h TYR 79 Ca -0.01 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jmg h TYR 79 Cb 0.63 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 2jmg h TYR 79 CO -0.23 -0.26 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.08 2jmg h ASN 80 N 0.06 -0.14 0.01 -2.11 2.35 -1.00 0.36 115.58 115.11 2jmg h ASN 80 Ca 0.37 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.17 2jmg h ASN 80 Cb 0.62 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 2jmg h ASN 80 CO -0.68 -0.04 -0.35 0.74 -1.65 0.00 0.00 177.43 175.45 2jmg h THR 81 N -0.05 0.26 -0.93 2.81 2.02 -1.20 -1.84 112.91 113.98 2jmg h THR 81 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 2jmg h THR 81 Cb 0.06 0.26 -0.17 0.00 -1.74 0.00 0.00 68.15 66.56 2jmg h THR 81 CO -0.03 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.37 2jmg h ILE 82 N -0.51 0.14 -0.51 3.11 2.04 -0.56 0.54 117.51 121.77 2jmg h ILE 82 Ca 0.05 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2jmg h ILE 82 Cb 0.59 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2jmg h ILE 82 CO -0.27 0.01 0.28 0.00 0.00 0.00 0.00 178.15 178.17 2jmg h ALA 83 N 1.89 0.65 0.55 1.87 0.00 -0.07 -2.13 119.26 122.03 2jmg h ALA 83 Ca 0.58 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 2jmg h ALA 83 Cb 1.20 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2jmg h ALA 83 CO -0.81 -0.05 -0.27 0.28 0.00 0.00 0.00 179.25 178.40 2jmg h VAL 84 N 0.54 0.33 -0.98 0.00 2.07 0.27 -3.07 116.25 115.41 2jmg h VAL 84 Ca 0.22 -0.34 0.32 0.00 0.82 0.00 0.00 66.70 67.71 2jmg h VAL 84 Cb 0.09 0.44 -0.15 0.00 -1.52 0.00 0.00 31.29 30.15 2jmg h VAL 84 CO -0.13 0.04 0.50 0.25 0.02 0.00 0.00 177.57 178.26 2jmg h LEU 85 N -0.99 0.40 -0.87 2.57 5.85 -0.90 0.55 115.31 121.91 2jmg h LEU 85 Ca -0.08 0.20 0.15 0.00 0.84 0.00 0.00 57.88 59.00 2jmg h LEU 85 Cb 0.64 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 2jmg h LEU 85 CO 0.12 -0.18 0.45 0.22 -0.34 0.00 0.00 178.44 178.72 2jmg h TYR 86 N 0.26 0.80 0.00 1.25 3.20 -1.28 0.21 116.97 121.41 2jmg h TYR 86 Ca 0.72 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.54 2jmg h TYR 86 Cb 1.65 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 2jmg h TYR 86 CO -0.06 0.19 -0.38 0.00 -1.64 0.00 0.00 178.16 176.27 2jmg h VAL 88 N 0.00 1.17 0.04 0.00 2.07 -0.27 0.59 116.25 119.85 2jmg h VAL 88 Ca -0.00 -0.93 -0.36 0.00 0.82 0.00 0.00 66.70 66.23 2jmg h VAL 88 Cb 0.77 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2jmg h VAL 88 CO 0.05 0.26 -2.18 1.41 0.02 0.00 0.00 177.57 177.13 2jmg n HIS 89 N -4.18 0.56 1.20 1.57 -0.00 -1.02 -4.23 115.22 109.13 2jmg n HIS 89 Ca -0.02 0.14 0.13 0.00 -0.00 0.00 0.00 57.72 57.98 2jmg n HIS 89 Cb 0.32 -1.08 0.44 0.00 -0.00 0.00 0.00 29.99 29.67 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 -3.19 0.47 -3.07 -0.41 1.13 -0.39 -4.92 117.38 107.01 2jmg n GLN 90 Ca -0.34 -0.22 -0.13 0.00 -1.94 0.00 0.00 57.00 54.37 2jmg n GLN 90 Cb 1.05 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.97 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2jmg n ARG 91 N -1.07 -4.87 -3.63 -1.09 0.63 0.19 -5.00 116.66 101.83 2jmg n ARG 91 Ca 0.10 0.64 -0.38 0.00 -0.92 0.00 0.00 57.85 57.30 2jmg n ARG 91 Cb 0.32 -5.03 -0.11 0.00 0.45 0.00 0.00 32.46 28.09 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 -3.27 5.04 0.45 5.15 1.01 -0.33 -5.03 121.20 124.21 2jmg s ILE 92 Ca 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 2jmg s ILE 92 Cb -0.00 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 2jmg s ILE 92 CO 0.55 0.24 0.69 -0.67 0.00 0.00 0.00 174.94 175.75 2jmg n ASP 93 N 5.03 -0.23 -3.30 3.58 2.03 -1.26 -4.77 116.55 117.63 2jmg n ASP 93 Ca -0.14 0.92 -0.01 0.00 0.52 0.00 0.00 54.79 56.08 2jmg n ASP 93 Cb 0.51 -1.20 -0.04 0.00 -0.72 0.00 0.00 41.12 39.68 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 -1.45 -0.87 -0.15 5.18 -7.23 -1.26 -4.73 120.40 109.89 2jmg s VAL 94 Ca 0.65 -0.01 0.26 0.00 -1.81 0.00 0.00 61.98 61.07 2jmg s VAL 94 Cb -0.56 -0.93 0.33 0.00 0.56 0.00 0.00 36.38 35.77 2jmg s VAL 94 CO 0.57 -0.03 1.76 0.50 -0.31 0.00 0.00 175.10 177.59 2jmg h LYS 95 N 8.06 0.00 0.00 4.82 1.63 -1.94 -3.44 116.57 125.70 2jmg h LYS 95 Ca -0.21 0.00 0.28 0.00 -0.85 0.00 0.00 60.65 59.87 2jmg h LYS 95 Cb 1.15 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.73 2jmg h LYS 95 CO 0.23 0.06 0.79 -0.40 -3.45 0.00 0.00 179.45 176.68 2jmg n ASP 96 N -3.14 -1.34 -0.34 4.20 5.68 -1.26 -4.22 116.55 116.13 2jmg n ASP 96 Ca 0.02 -1.45 0.09 0.00 -0.50 0.00 0.00 54.79 52.95 2jmg n ASP 96 Cb 0.45 2.13 0.26 0.00 -1.14 0.00 0.00 41.12 42.82 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 1.97 0.80 -0.05 2.12 2.02 -1.00 -1.71 112.91 117.06 2jmg h THR 97 Ca -0.23 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2jmg h THR 97 Cb 1.16 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2jmg h THR 97 CO 0.32 0.15 -0.10 0.50 0.37 0.00 0.00 175.52 176.76 2jmg h LYS 98 N 0.81 0.15 -1.02 6.66 1.63 -1.87 -3.16 116.57 119.78 2jmg h LYS 98 Ca 0.51 -0.10 0.25 0.00 -0.85 0.00 0.00 60.65 60.46 2jmg h LYS 98 Cb 0.66 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.21 2jmg h LYS 98 CO -0.33 0.68 0.64 1.49 -3.45 0.00 0.00 179.45 178.49 2jmg h GLU 99 N -0.35 0.46 0.09 1.90 4.57 -1.74 -0.36 114.58 119.15 2jmg h GLU 99 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2jmg h GLU 99 Cb 0.68 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2jmg h GLU 99 CO 0.02 0.30 -0.05 0.00 -1.18 0.00 0.00 179.01 178.11 2jmg h ALA 100 N 1.64 -0.13 0.37 2.92 0.00 -1.31 -1.11 119.26 121.64 2jmg h ALA 100 Ca 0.59 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2jmg h ALA 100 Cb 1.36 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2jmg h ALA 100 CO -0.32 -0.54 -0.40 -0.07 0.00 0.00 0.00 179.25 177.91 2jmg h LEU 101 N -0.18 -1.11 0.00 0.00 -0.00 -1.09 0.28 115.31 113.21 2jmg h LEU 101 Ca -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2jmg h LEU 101 Cb 0.15 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2jmg h LEU 101 CO 0.02 -0.54 0.00 0.47 -0.00 0.00 0.00 178.44 178.39 2jmg n ASP 102 N -5.49 0.00 -0.11 -0.43 8.00 -0.87 -1.37 116.55 116.28 2jmg n ASP 102 Ca -0.10 0.18 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 2jmg n ASP 102 Cb 0.39 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 2jmg n ASP 102 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jmg n LYS 103 N -1.27 0.55 -0.20 -1.24 4.76 0.07 -3.70 118.16 117.12 2jmg n LYS 103 Ca 0.03 0.40 -0.09 0.00 -2.87 0.00 0.00 58.31 55.78 2jmg n LYS 103 Cb 0.05 -1.59 0.02 0.00 -1.84 0.00 0.00 35.03 31.66 2jmg n LYS 103 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2jmg h ILE 104 N -1.00 1.26 -0.60 -0.18 2.04 -0.31 -2.86 117.51 115.86 2jmg h ILE 104 Ca -0.36 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2jmg h ILE 104 Cb 1.24 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2jmg h ILE 104 CO -0.22 0.39 0.28 -0.08 0.00 0.00 0.00 178.15 178.53 2jmg h GLU 105 N 0.88 0.86 -1.00 2.37 4.57 -1.45 -2.63 114.58 118.20 2jmg h GLU 105 Ca 0.17 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2jmg h GLU 105 Cb 0.50 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 2jmg h GLU 105 CO 0.02 0.70 0.64 0.93 -1.18 0.00 0.00 179.01 180.13 2jmg h GLU 106 N 0.82 1.14 0.00 1.92 4.39 -1.61 0.29 114.58 121.53 2jmg h GLU 106 Ca 0.20 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2jmg h GLU 106 Cb 0.13 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2jmg h GLU 106 CO -0.03 0.75 -0.10 0.93 -1.16 0.00 0.00 179.01 179.41 2jmg h GLU 107 N 1.17 0.00 0.04 2.33 5.08 -1.25 -1.53 114.58 120.42 2jmg h GLU 107 Ca 0.43 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.47 2jmg h GLU 107 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2jmg h GLU 107 CO -0.17 0.10 -1.88 1.04 -1.00 0.00 0.00 179.01 177.10 2jmg n GLN 108 N -3.71 0.68 -0.09 2.33 6.02 -0.03 -4.17 117.38 118.41 2jmg n GLN 108 Ca -0.02 0.26 -0.07 0.00 -0.01 0.00 0.00 57.00 57.16 2jmg n GLN 108 Cb 0.21 -1.74 0.11 0.00 1.02 0.00 0.00 30.24 29.84 2jmg n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2jmg h ASN 109 N 0.02 0.76 -0.88 1.08 -1.24 -0.12 -2.83 115.58 112.38 2jmg h ASN 109 Ca -0.36 -0.25 0.19 0.00 0.71 0.00 0.00 56.30 56.59 2jmg h ASN 109 Cb 2.04 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 40.81 2jmg h ASN 109 CO 0.07 0.94 0.58 0.11 -1.29 0.00 0.00 177.43 177.84 2jmg h LYS 110 N 0.67 0.43 -0.18 6.67 1.57 -1.45 0.33 116.57 124.61 2jmg h LYS 110 Ca 0.10 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2jmg h LYS 110 Cb 0.67 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2jmg h LYS 110 CO 0.05 0.28 -0.31 1.03 -0.57 0.00 0.00 179.45 179.93 2jmg h SER 111 N 0.44 0.36 0.37 0.86 0.87 -1.69 -2.94 113.55 111.81 2jmg h SER 111 Ca 0.46 -0.13 -0.32 0.00 -1.23 0.00 0.00 61.79 60.57 2jmg h SER 111 Cb 1.08 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2jmg h SER 111 CO -0.18 0.66 -1.50 0.11 -0.53 0.00 0.00 176.83 175.39 2jmg h LYS 112 N 0.31 0.39 -0.21 2.24 1.57 -0.64 -3.28 116.57 116.93 2jmg h LYS 112 Ca 0.04 -0.67 0.06 0.00 -1.87 0.00 0.00 60.65 58.22 2jmg h LYS 112 Cb 0.70 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2jmg h LYS 112 CO 0.05 1.30 0.19 -0.22 -0.57 0.00 0.00 179.45 180.20 2jmg h LYS 113 N 0.11 0.00 -0.34 3.15 3.64 -0.45 -0.21 116.57 122.48 2jmg h LYS 113 Ca -0.25 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2jmg h LYS 113 Cb 2.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.88 2jmg h LYS 113 CO 0.22 0.00 0.12 -0.22 -2.27 0.00 0.00 179.45 177.29 2jmg h LYS 114 N 0.00 0.48 0.00 1.90 3.64 -1.58 -1.26 116.57 119.74 2jmg h LYS 114 Ca 0.10 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2jmg h LYS 114 Cb 0.49 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2jmg h LYS 114 CO -0.00 0.41 -0.63 0.00 -2.27 0.00 0.00 179.45 176.96 2jmg h ALA 115 N 1.66 0.95 -0.68 5.00 0.00 -1.21 -3.09 119.26 121.89 2jmg h ALA 115 Ca 0.12 -0.58 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 2jmg h ALA 115 Cb 0.13 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 17.60 2jmg h ALA 115 CO -0.01 0.79 0.26 1.04 0.00 0.00 0.00 179.25 181.33 2jmg n GLN 116 N -3.77 2.11 0.10 0.00 6.02 -0.70 -4.64 117.38 116.50 2jmg n GLN 116 Ca -0.01 -3.16 0.15 0.00 -0.01 0.00 0.00 57.00 53.97 2jmg n GLN 116 Cb 0.63 -2.01 0.67 0.00 1.02 0.00 0.00 30.24 30.54 2jmg n GLN 116 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2jmg h GLN 117 N 1.10 0.01 0.00 -1.09 3.07 -1.18 -0.08 115.11 116.94 2jmg h GLN 117 Ca 0.43 -0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.98 2jmg h GLN 117 Cb 2.12 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.66 2jmg h GLN 117 CO 0.78 0.01 -0.85 0.00 0.09 0.00 0.00 178.83 178.85 2jmg h ALA 118 N 1.84 0.57 -2.75 0.06 0.00 -1.87 -3.38 119.26 113.72 2jmg h ALA 118 Ca 0.16 -0.73 -0.69 0.00 0.00 0.00 0.00 54.91 53.65 2jmg h ALA 118 Cb 0.61 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.94 2jmg h ALA 118 CO -0.00 0.95 -0.16 0.00 0.00 0.00 0.00 179.25 180.03 2jmg n ALA 119 N -2.44 3.87 0.00 0.00 0.00 -0.05 -4.58 120.51 117.31 2jmg n ALA 119 Ca -0.03 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.79 2jmg n ALA 119 Cb 0.80 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 2.01 0.00 0.26 0.00 0.00 -1.22 -4.88 120.51 116.67 2jmg n ALA 120 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.78 2jmg n ALA 120 Cb 0.37 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.56 2jmg n ALA 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2jmg h ASP 121 N 0.00 0.00 -3.77 0.00 1.82 -1.81 -3.39 116.42 109.27 2jmg h ASP 121 Ca 0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.01 2jmg h ASP 121 Cb 0.00 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 39.85 2jmg h ASP 121 CO 0.00 0.00 -0.49 0.42 -1.61 0.00 0.00 179.24 177.56 2jmg s THR 122 N -4.90 5.32 0.00 2.25 -4.23 -1.26 -4.99 115.64 107.83 2jmg s THR 122 Ca -0.05 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2jmg s THR 122 Cb 0.16 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2jmg s THR 122 CO 0.63 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.60 2jmg n GLY 123 N 4.74 1.41 3.62 3.99 0.00 -1.26 -5.06 105.19 112.62 2jmg n GLY 123 Ca -0.14 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 2.00 1.82 -0.24 1.61 -0.87 -1.26 -5.01 114.94 112.99 2jmg s ASN 124 Ca 0.00 1.06 -0.01 0.00 -1.57 0.00 0.00 52.86 52.34 2jmg s ASN 124 Cb 0.00 -1.63 -0.14 0.00 -0.02 0.00 0.00 41.25 39.45 2jmg s ASN 124 CO 0.00 -3.62 -0.23 -3.20 -2.57 0.00 0.00 177.10 167.49 2jmg n ASN 125 N -4.48 2.12 -3.55 -1.22 2.85 -1.26 -5.07 115.26 104.66 2jmg n ASN 125 Ca 0.07 -0.05 -0.11 0.00 -0.11 0.00 0.00 54.58 54.38 2jmg n ASN 125 Cb 0.58 -0.43 -0.04 0.00 1.24 0.00 0.00 39.78 41.12 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2jmg s SER 126 N -6.43 -0.41 0.22 1.20 0.15 -1.26 -5.08 113.70 102.08 2jmg s SER 126 Ca -0.32 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2jmg s SER 126 Cb 0.09 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2jmg s SER 126 CO 0.52 -0.47 0.00 0.00 1.20 0.00 0.00 173.24 174.49 2jmg n GLN 127 N 0.46 0.00 -2.81 5.44 6.02 -1.26 -5.12 117.38 120.10 2jmg n GLN 127 Ca -0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.53 2jmg n GLN 127 Cb 0.59 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.78 2jmg n GLN 127 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jmg s VAL 128 N -2.00 4.30 0.12 5.09 0.11 -1.26 -5.08 120.40 121.69 2jmg s VAL 128 Ca 0.00 1.67 0.04 0.00 -2.93 0.00 0.00 61.98 60.76 2jmg s VAL 128 Cb 0.00 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 2jmg s VAL 128 CO 0.00 -0.03 -0.10 -0.55 -3.33 0.00 0.00 175.10 171.10 2jmg s SER 129 N -1.83 1.61 -0.40 3.54 0.15 -1.26 -5.09 113.70 110.43 2jmg s SER 129 Ca 0.54 -0.95 0.12 0.00 0.70 0.00 0.00 55.95 56.36 2jmg s SER 129 Cb -0.15 0.01 0.37 0.00 -1.71 0.00 0.00 66.02 64.54 2jmg s SER 129 CO 0.20 -0.32 0.82 1.67 1.20 0.00 0.00 173.24 176.80 2jmg n GLN 130 N 0.07 1.48 -2.72 5.44 7.27 -1.26 -4.92 117.38 122.74 2jmg n GLN 130 Ca -0.12 -3.65 -0.07 0.00 0.07 0.00 0.00 57.00 53.23 2jmg n GLN 130 Cb 0.60 -1.74 0.08 0.00 2.41 0.00 0.00 30.24 31.59 2jmg n GLN 130 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2jmg n ASN 131 N 0.10 -2.26 0.00 1.69 6.94 -1.26 -5.36 115.26 115.11 2jmg n ASN 131 Ca 0.24 -3.08 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 2jmg n ASN 131 Cb 0.65 1.65 0.00 0.00 -2.36 0.00 0.00 39.78 39.71 2jmg n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23