#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmg n ALA 3 N 0.00 3.44 -3.18 4.61 0.00 -1.26 -4.98 120.51 119.15 2jmg n ALA 3 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 2jmg n ALA 3 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2jmg n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jmg s ARG 4 N -2.50 1.73 0.16 0.00 0.52 -1.26 -5.18 118.95 112.43 2jmg s ARG 4 Ca 0.20 -1.42 0.11 0.00 -0.52 0.00 0.00 55.73 54.10 2jmg s ARG 4 Cb 0.18 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 36.09 2jmg s ARG 4 CO 0.56 -0.73 -0.25 0.00 0.02 0.00 0.00 175.30 174.90 2jmg s ALA 5 N -3.54 2.41 0.50 2.13 0.00 -1.26 -5.06 121.76 116.94 2jmg s ALA 5 Ca 0.24 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2jmg s ALA 5 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2jmg s ALA 5 CO 0.12 0.45 0.00 0.43 0.00 0.00 0.00 175.76 176.77 2jmg n SER 6 N 0.54 -7.38 0.00 0.00 7.64 -1.26 -5.01 113.62 108.16 2jmg n SER 6 Ca -0.15 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2jmg n SER 6 Cb 0.55 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 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 -4.11 0.00 -0.41 1.43 1.74 -1.26 -5.13 116.66 108.92 2jmg n ARG 7 Ca -0.06 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 2jmg n ARG 7 Cb 0.61 -0.24 0.07 0.00 -1.02 0.00 0.00 32.46 31.88 2jmg n ARG 7 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jmg n LEU 8 N -1.71 0.00 0.00 0.55 4.77 -1.26 -5.11 117.00 114.24 2jmg n LEU 8 Ca 0.00 -0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 2jmg n LEU 8 Cb 0.00 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2jmg n LEU 8 CO 0.00 -1.14 0.17 -1.54 -1.33 0.00 0.00 177.39 173.56 2jmg n SER 9 N -3.44 -1.14 -0.28 -1.43 3.41 -1.26 -5.02 113.62 104.46 2jmg n SER 9 Ca 0.05 -2.37 0.09 0.00 -0.26 0.00 0.00 58.87 56.38 2jmg n SER 9 Cb 0.17 2.06 0.24 0.00 -0.26 0.00 0.00 64.21 66.43 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 1.47 1.30 0.71 5.00 0.00 -1.99 0.32 103.07 109.88 2jmg h GLY 10 Ca -0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2jmg h GLY 10 CO 0.28 -0.20 -0.48 -1.33 0.00 0.00 0.00 176.54 174.81 2jmg h GLY 11 N 0.39 -1.27 2.00 4.60 0.00 -2.02 -2.20 103.07 104.56 2jmg h GLY 11 Ca 0.48 0.55 -0.01 0.00 0.00 0.00 0.00 47.33 48.35 2jmg h GLY 11 CO -0.49 -0.42 -0.06 -2.09 0.00 0.00 0.00 176.54 173.48 2jmg h GLU 12 N -1.11 0.00 0.00 4.80 4.81 -1.84 -1.92 114.58 119.33 2jmg h GLU 12 Ca -0.09 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2jmg h GLU 12 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2jmg h GLU 12 CO 0.04 0.06 -0.21 1.25 -0.73 0.00 0.00 179.01 179.42 2jmg h LEU 13 N 0.00 0.00 -0.61 1.64 5.85 0.23 -2.10 115.31 120.31 2jmg h LEU 13 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2jmg h LEU 13 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2jmg h LEU 13 CO 0.01 0.21 0.15 -0.78 -0.34 0.00 0.00 178.44 177.69 2jmg h ASP 14 N 0.00 0.92 0.09 1.25 1.82 -0.89 -1.87 116.42 117.74 2jmg h ASP 14 Ca -0.00 -0.23 -0.23 0.00 -0.39 0.00 0.00 57.03 56.18 2jmg h ASP 14 Cb 0.56 -0.24 0.02 0.00 0.68 0.00 0.00 39.33 40.35 2jmg h ASP 14 CO 0.03 0.91 -0.96 0.11 -1.61 0.00 0.00 179.24 177.72 2jmg h LYS 15 N 0.89 0.49 -0.90 0.28 1.57 -1.64 -2.67 116.57 114.58 2jmg h LYS 15 Ca 0.19 -0.65 0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2jmg h LYS 15 Cb 0.35 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2jmg h LYS 15 CO 0.00 1.27 0.58 2.35 -0.57 0.00 0.00 179.45 183.08 2jmg h TRP 16 N 0.01 0.96 -0.01 -1.35 2.91 -1.34 0.18 115.95 117.32 2jmg h TRP 16 Ca -0.15 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.90 2jmg h TRP 16 Cb 1.68 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 30.02 2jmg h TRP 16 CO 0.14 0.43 -0.20 0.39 -1.03 0.00 0.00 178.44 178.18 2jmg n GLU 17 N -4.54 0.74 0.16 2.65 1.02 -0.71 -3.65 120.64 116.31 2jmg n GLU 17 Ca 0.16 -0.36 0.04 0.00 -0.02 0.00 0.00 57.16 56.98 2jmg n GLU 17 Cb 0.32 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.89 0.00 -6.14 3.49 3.64 -0.27 -3.42 116.57 114.77 2jmg h LYS 18 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2jmg h LYS 18 Cb 0.44 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 2jmg h LYS 18 CO 0.00 0.40 0.39 0.42 -2.27 0.00 0.00 179.45 178.39 2jmg s ILE 19 N -3.01 4.88 0.21 2.00 1.09 -1.12 -4.98 121.20 120.26 2jmg s ILE 19 Ca 0.05 1.80 -0.16 0.00 -1.10 0.00 0.00 60.65 61.24 2jmg s ILE 19 Cb 0.07 -4.21 -0.08 0.00 -1.06 0.00 0.00 42.46 37.19 2jmg s ILE 19 CO 0.73 0.08 0.64 -0.13 -0.10 0.00 0.00 174.94 176.16 2jmg s ARG 20 N 1.68 4.05 0.08 2.79 0.52 -1.26 -2.81 118.95 124.01 2jmg s ARG 20 Ca 0.44 0.62 -0.19 0.00 -0.52 0.00 0.00 55.73 56.08 2jmg s ARG 20 Cb -0.18 -2.80 -0.09 0.00 0.52 0.00 0.00 34.95 32.40 2jmg s ARG 20 CO 0.18 0.38 1.52 -0.07 0.02 0.00 0.00 175.30 177.33 2jmg h LEU 21 N 3.18 0.41 -9.86 2.53 3.38 -0.72 -1.87 115.31 112.37 2jmg h LEU 21 Ca -0.48 -0.31 -0.51 0.00 0.09 0.00 0.00 57.88 56.67 2jmg h LEU 21 Cb 1.19 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 2jmg h LEU 21 CO 0.66 0.62 -0.54 -0.13 0.09 0.00 0.00 178.44 179.14 2jmg s ARG 22 N -5.00 2.76 0.01 1.13 0.52 -1.26 -3.85 118.95 113.26 2jmg s ARG 22 Ca -0.14 -1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 53.67 2jmg s ARG 22 Cb 0.07 -2.46 -0.17 0.00 0.52 0.00 0.00 34.95 32.91 2jmg s ARG 22 CO 0.74 0.34 1.31 -1.00 0.02 0.00 0.00 175.30 176.71 2jmg h PRO 23 N 1.53 0.19 -0.37 3.54 0.13 -1.90 -3.30 132.00 131.82 2jmg h PRO 23 Ca -0.47 -0.10 -0.14 0.00 -0.87 0.00 0.00 66.00 64.42 2jmg h PRO 23 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 2jmg h PRO 23 CO 0.60 0.63 0.01 0.41 -0.23 0.00 0.00 178.00 179.42 2jmg n GLY 24 N 0.21 4.54 0.00 1.56 0.00 -1.26 -4.93 105.19 105.32 2jmg n GLY 24 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.89 2.92 0.00 -0.02 0.00 -1.24 -5.06 105.19 100.89 2jmg n GLY 25 Ca 0.31 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jmg n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jmg n LYS 26 N -0.53 -0.40 -2.49 1.61 3.00 -1.26 -4.89 118.16 113.19 2jmg n LYS 26 Ca 0.00 -0.51 -0.34 0.00 -0.00 0.00 0.00 58.31 57.47 2jmg n LYS 26 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2jmg s LYS 27 N -0.10 3.75 0.13 1.64 1.02 -1.26 -4.94 119.74 119.98 2jmg s LYS 27 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 55.97 57.37 2jmg s LYS 27 Cb 0.00 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 2jmg s LYS 27 CO 0.00 -0.47 0.11 1.04 -0.92 0.00 0.00 175.35 175.11 2jmg n GLN 28 N -1.07 0.20 -3.77 1.68 6.02 -1.26 -0.05 117.38 119.13 2jmg n GLN 28 Ca 0.09 -1.31 -0.28 0.00 -0.01 0.00 0.00 57.00 55.49 2jmg n GLN 28 Cb 0.52 1.06 -0.03 0.00 1.02 0.00 0.00 30.24 32.81 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 -2.51 3.49 0.22 1.08 2.02 -1.12 -4.61 117.35 115.91 2jmg s TYR 29 Ca 0.15 0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 57.16 2jmg s TYR 29 Cb 0.01 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 2jmg s TYR 29 CO 0.11 0.44 0.18 0.15 -1.57 0.00 0.00 175.55 174.85 2jmg s LYS 30 N -3.12 1.31 0.43 -0.62 1.02 -1.26 -4.29 119.74 113.20 2jmg s LYS 30 Ca 0.38 -1.66 0.19 0.00 0.02 0.00 0.00 55.97 54.89 2jmg s LYS 30 Cb -0.11 0.29 1.12 0.00 -0.52 0.00 0.00 37.83 38.61 2jmg s LYS 30 CO 0.28 -0.45 1.86 -0.07 -0.92 0.00 0.00 175.35 176.06 2jmg h LEU 31 N 2.53 0.36 -1.00 3.17 3.38 -1.99 -0.44 115.31 121.31 2jmg h LEU 31 Ca -0.34 0.04 0.30 0.00 0.09 0.00 0.00 57.88 57.97 2jmg h LEU 31 Cb 1.25 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2jmg h LEU 31 CO 0.49 0.14 0.58 0.50 0.09 0.00 0.00 178.44 180.25 2jmg h LYS 32 N 0.36 0.39 -0.05 1.13 3.64 -2.00 0.31 116.57 120.35 2jmg h LYS 32 Ca 0.46 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.76 2jmg h LYS 32 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2jmg h LYS 32 CO -0.16 0.26 -0.18 0.45 -2.27 0.00 0.00 179.45 177.55 2jmg h HIS 33 N 0.40 0.27 -0.93 1.91 3.86 -1.49 -2.57 115.15 116.61 2jmg h HIS 33 Ca 0.71 -0.11 0.20 0.00 -1.16 0.00 0.00 60.37 60.00 2jmg h HIS 33 Cb 1.55 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.89 2jmg h HIS 33 CO -0.01 0.80 0.60 0.82 0.86 0.00 0.00 177.93 181.00 2jmg h ILE 34 N -0.33 0.70 0.26 2.45 2.04 -1.01 0.33 117.51 121.95 2jmg h ILE 34 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2jmg h ILE 34 Cb 0.81 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2jmg h ILE 34 CO 0.04 0.09 -0.12 0.58 0.00 0.00 0.00 178.15 178.74 2jmg h VAL 35 N 0.51 0.65 -0.86 1.67 2.07 -1.31 -1.71 116.25 117.28 2jmg h VAL 35 Ca 0.49 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2jmg h VAL 35 Cb 1.08 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 2jmg h VAL 35 CO -0.22 0.15 0.56 -0.25 0.02 0.00 0.00 177.57 177.83 2jmg h TRP 36 N -0.89 1.00 0.45 1.57 7.01 -0.98 0.35 115.95 124.47 2jmg h TRP 36 Ca -0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2jmg h TRP 36 Cb 0.51 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2jmg h TRP 36 CO 0.05 0.56 -0.21 0.00 -2.79 0.00 0.00 178.44 176.05 2jmg h ALA 37 N 1.52 -0.60 -0.35 2.65 0.00 -0.41 0.30 119.26 122.36 2jmg h ALA 37 Ca 0.35 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jmg h ALA 37 Cb 0.11 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jmg h ALA 37 CO -0.12 -0.71 0.23 0.77 0.00 0.00 0.00 179.25 179.43 2jmg h SER 38 N -0.86 0.32 0.09 0.00 0.02 -1.08 -1.81 113.55 110.23 2jmg h SER 38 Ca -0.06 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2jmg h SER 38 Cb 0.57 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jmg h SER 38 CO 0.10 0.22 -0.04 0.03 -1.14 0.00 0.00 176.83 176.00 2jmg h ARG 39 N 0.37 -0.12 -0.69 3.45 2.47 -0.82 -3.28 114.38 115.76 2jmg h ARG 39 Ca 0.14 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 59.01 2jmg h ARG 39 Cb 0.11 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.35 2jmg h ARG 39 CO -0.03 0.40 0.14 1.49 0.56 0.00 0.00 179.97 182.53 2jmg h GLU 40 N -0.87 0.24 -0.92 0.04 4.57 -0.17 0.24 114.58 117.71 2jmg h GLU 40 Ca -0.01 -0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.38 2jmg h GLU 40 Cb 0.58 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.05 2jmg h GLU 40 CO 0.02 0.16 0.62 -0.07 -1.18 0.00 0.00 179.01 178.55 2jmg h LEU 41 N 0.25 0.33 -0.58 1.64 3.38 -1.43 0.41 115.31 119.30 2jmg h LEU 41 Ca 0.38 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.23 2jmg h LEU 41 Cb 0.62 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2jmg h LEU 41 CO -0.49 0.12 -0.55 -0.08 0.09 0.00 0.00 178.44 177.53 2jmg h GLU 42 N 0.32 0.46 0.11 1.13 4.22 -0.59 -0.47 114.58 119.75 2jmg h GLU 42 Ca 0.48 -0.29 -0.27 0.00 0.08 0.00 0.00 59.36 59.36 2jmg h GLU 42 Cb 1.32 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.62 2jmg h GLU 42 CO -0.16 0.89 -1.18 -0.09 -2.18 0.00 0.00 179.01 176.29 2jmg h ARG 43 N 0.35 0.35 0.00 1.92 2.43 -0.18 -3.19 114.38 116.06 2jmg h ARG 43 Ca 0.01 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2jmg h ARG 43 Cb 1.07 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2jmg h ARG 43 CO 0.10 1.22 0.00 0.74 -1.51 0.00 0.00 179.97 180.51 2jmg h PHE 44 N 0.13 0.00 0.00 2.20 0.04 -0.37 -3.46 116.94 115.48 2jmg h PHE 44 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 2jmg h PHE 44 Cb 1.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.03 2jmg h PHE 44 CO 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.78 2jmg n ALA 45 N -2.04 0.00 -2.87 2.45 0.00 -1.08 -5.07 120.51 111.90 2jmg n ALA 45 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 2jmg n ALA 45 Cb 0.22 -0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.00 4.52 -0.04 0.00 1.01 -0.21 -5.03 120.40 118.65 2jmg s VAL 46 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.49 2jmg s VAL 46 Cb 0.00 -3.03 -0.14 0.00 0.00 0.00 0.00 36.38 33.21 2jmg s VAL 46 CO 0.00 0.46 1.68 0.59 0.00 0.00 0.00 175.10 177.83 2jmg n ASN 47 N 3.63 2.81 0.00 3.32 4.13 -1.26 -3.95 115.26 123.93 2jmg n ASN 47 Ca -0.17 1.05 0.07 0.00 1.68 0.00 0.00 54.58 57.21 2jmg n ASN 47 Cb 0.52 -1.30 0.33 0.00 -1.54 0.00 0.00 39.78 37.79 2jmg n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2jmg n PRO 48 N 4.86 0.07 0.00 3.52 -0.04 -1.26 -2.79 135.00 139.36 2jmg n PRO 48 Ca 0.21 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 2jmg n PRO 48 Cb 0.24 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.67 2jmg n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jmg n GLY 49 N -0.03 -0.71 0.00 0.55 0.00 -1.26 -2.47 105.19 101.27 2jmg n GLY 49 Ca 0.05 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.15 0.00 0.00 0.99 4.77 -1.12 -2.83 117.00 117.65 2jmg n LEU 50 Ca 0.10 0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 2jmg n LEU 50 Cb 0.10 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2jmg n LEU 50 CO 0.12 -0.00 0.09 0.18 -1.33 0.00 0.00 177.39 176.45 2jmg n LEU 51 N -1.05 0.80 -2.64 2.23 4.77 -1.03 -1.83 117.00 118.24 2jmg n LEU 51 Ca 0.22 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.54 2jmg n LEU 51 Cb 0.13 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2jmg n LEU 51 CO 0.19 0.19 1.30 -1.84 -1.33 0.00 0.00 177.39 175.90 2jmg n GLU 52 N -1.55 2.85 -3.34 3.23 0.28 -1.13 -4.87 120.64 116.11 2jmg n GLU 52 Ca 0.04 -3.59 0.03 0.00 -0.16 0.00 0.00 57.16 53.48 2jmg n GLU 52 Cb 0.34 -2.27 -0.05 0.00 1.43 0.00 0.00 31.44 30.89 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 0.43 3.84 -1.32 -1.26 -4.97 115.64 107.25 2jmg s THR 53 Ca 0.56 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.21 2jmg s THR 53 Cb 0.46 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.82 2jmg s THR 53 CO -0.24 0.00 1.88 0.77 -2.21 0.00 0.00 174.62 174.82 2jmg h SER 54 N 6.55 0.39 1.27 8.08 4.64 -1.90 0.25 113.55 132.84 2jmg h SER 54 Ca -0.18 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 2jmg h SER 54 Cb 1.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2jmg h SER 54 CO 0.11 0.18 -0.74 -0.33 -0.87 0.00 0.00 176.83 175.18 2jmg h GLU 55 N 0.40 0.00 0.00 4.77 4.39 -1.95 -3.26 114.58 118.93 2jmg h GLU 55 Ca 0.43 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.03 2jmg h GLU 55 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2jmg h GLU 55 CO -0.15 0.56 -0.45 0.78 -1.16 0.00 0.00 179.01 178.60 2jmg h GLY 56 N 3.44 0.00 0.19 -3.84 0.00 -0.77 -3.09 103.07 99.00 2jmg h GLY 56 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2jmg h GLY 56 CO 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.53 2jmg h ARG 58 N -0.74 0.26 -0.67 0.00 3.08 -1.69 0.30 114.38 114.92 2jmg h ARG 58 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2jmg h ARG 58 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2jmg h ARG 58 CO 0.04 0.17 0.39 0.37 -1.07 0.00 0.00 179.97 179.87 2jmg h GLN 59 N 0.27 0.91 -0.87 0.04 4.15 -1.61 -2.56 115.11 115.44 2jmg h GLN 59 Ca 0.61 -0.09 0.11 0.00 0.77 0.00 0.00 58.65 60.05 2jmg h GLN 59 Cb 1.80 -0.19 -0.08 0.00 0.21 0.00 0.00 27.48 29.23 2jmg h GLN 59 CO -0.24 0.66 0.50 0.82 -1.93 0.00 0.00 178.83 178.64 2jmg h ILE 60 N 0.91 0.88 -0.10 2.39 2.04 -0.34 0.44 117.51 123.72 2jmg h ILE 60 Ca 0.24 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2jmg h ILE 60 Cb -0.00 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2jmg h ILE 60 CO -0.04 0.15 0.06 -0.07 0.00 0.00 0.00 178.15 178.24 2jmg h LEU 61 N 0.80 0.12 -0.84 1.44 3.38 -1.39 -1.76 115.31 117.06 2jmg h LEU 61 Ca 0.43 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.29 2jmg h LEU 61 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2jmg h LEU 61 CO -0.27 0.09 -0.31 1.23 0.09 0.00 0.00 178.44 179.27 2jmg h GLY 62 N 0.15 0.55 2.00 0.83 0.00 -0.83 0.39 103.07 106.16 2jmg h GLY 62 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2jmg h GLY 62 CO -0.01 0.44 0.00 -1.06 0.00 0.00 0.00 176.54 175.91 2jmg n GLN 63 N -4.08 0.10 -0.01 4.80 6.02 -0.69 -3.30 117.38 120.22 2jmg n GLN 63 Ca -0.01 0.10 0.07 0.00 -0.01 0.00 0.00 57.00 57.15 2jmg n GLN 63 Cb 0.45 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 29.98 2jmg n GLN 63 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jmg n LEU 64 N -1.80 0.02 0.07 1.08 4.77 -0.97 -4.53 117.00 115.64 2jmg n LEU 64 Ca 0.06 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 2jmg n LEU 64 Cb 0.37 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 2jmg n LEU 64 CO 0.28 0.01 0.51 1.56 -1.33 0.00 0.00 177.39 178.41 2jmg h GLN 65 N 0.00 -0.67 0.00 3.23 1.08 -0.22 0.59 115.11 119.12 2jmg h GLN 65 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2jmg h GLN 65 Cb 0.63 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2jmg h GLN 65 CO 0.00 -0.44 0.00 -0.35 -0.95 0.00 0.00 178.83 177.09 2jmg n PRO 66 N -5.44 0.49 -0.01 1.46 -0.04 -1.26 -2.06 135.00 128.14 2jmg n PRO 66 Ca -0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2jmg n PRO 66 Cb 0.40 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 2jmg n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jmg n SER 67 N -0.98 2.34 0.03 3.54 7.64 0.34 -4.50 113.62 122.03 2jmg n SER 67 Ca 0.11 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.08 2jmg n SER 67 Cb 0.05 1.51 0.52 0.00 -1.01 0.00 0.00 64.21 65.28 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 0.30 -0.82 -3.43 3.38 0.63 0.28 115.31 115.65 2jmg h LEU 68 Ca -0.01 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.13 2jmg h LEU 68 Cb 0.56 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 2jmg h LEU 68 CO 0.00 0.20 0.35 -0.61 0.09 0.00 0.00 178.44 178.47 2jmg h GLN 69 N 0.35 0.45 -1.01 1.13 5.75 -1.79 -3.19 115.11 116.80 2jmg h GLN 69 Ca 0.17 -0.03 -0.36 0.00 -0.15 0.00 0.00 58.65 58.28 2jmg h GLN 69 Cb 0.24 -0.10 -0.38 0.00 1.07 0.00 0.00 27.48 28.31 2jmg h GLN 69 CO -0.04 0.30 -1.13 2.41 -2.65 0.00 0.00 178.83 177.72 2jmg n THR 70 N -5.00 0.80 -3.96 2.39 -1.04 -0.78 -5.11 114.28 101.59 2jmg n THR 70 Ca 0.17 -3.06 -0.33 0.00 -2.04 0.00 0.00 64.05 58.79 2jmg n THR 70 Cb 0.49 0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 69.56 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 -2.90 2.13 0.82 3.41 0.00 0.93 -5.04 107.32 106.67 2jmg s GLY 71 Ca 0.28 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 2jmg s GLY 71 CO 0.02 -0.67 1.16 -1.35 0.00 0.00 0.00 173.10 172.26 2jmg s SER 72 N -1.85 3.64 0.30 1.64 1.04 -1.26 -4.72 113.70 112.49 2jmg s SER 72 Ca 0.26 2.19 0.04 0.00 0.48 0.00 0.00 55.95 58.92 2jmg s SER 72 Cb -0.12 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.21 2jmg s SER 72 CO 0.17 -2.63 1.66 -0.33 0.98 0.00 0.00 173.24 173.09 2jmg h GLU 73 N -1.18 0.26 -0.52 4.02 5.08 -2.00 0.20 114.58 120.44 2jmg h GLU 73 Ca -0.45 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 57.98 2jmg h GLU 73 Cb 1.27 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 2jmg h GLU 73 CO 0.46 0.17 0.13 0.93 -1.00 0.00 0.00 179.01 179.69 2jmg h GLU 74 N 0.26 0.26 0.02 2.33 3.07 -2.00 -0.96 114.58 117.57 2jmg h GLU 74 Ca 0.58 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.45 2jmg h GLU 74 Cb 1.20 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 2jmg h GLU 74 CO -0.62 0.17 -0.13 1.25 -1.40 0.00 0.00 179.01 178.28 2jmg h LEU 75 N 0.27 -0.36 -0.26 1.33 6.46 -0.92 -2.40 115.31 119.42 2jmg h LEU 75 Ca 0.26 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.13 2jmg h LEU 75 Cb 0.35 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 2jmg h LEU 75 CO -0.33 -0.18 -0.09 0.03 -0.62 0.00 0.00 178.44 177.25 2jmg h ARG 76 N -0.23 -0.04 -0.77 1.25 2.47 -1.06 -1.83 114.38 114.18 2jmg h ARG 76 Ca 0.04 0.00 0.17 0.00 -1.26 0.00 0.00 59.98 58.93 2jmg h ARG 76 Cb 0.27 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 28.49 2jmg h ARG 76 CO -0.11 -0.03 0.23 0.77 0.56 0.00 0.00 179.97 181.39 2jmg h SER 77 N -0.04 0.10 0.12 7.04 0.02 -0.91 -1.35 113.55 118.53 2jmg h SER 77 Ca 0.13 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2jmg h SER 77 Cb 0.24 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2jmg h SER 77 CO -0.29 -0.01 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.05 2jmg h LEU 78 N 0.32 -0.76 -0.52 5.07 -0.00 -0.84 -1.37 115.31 117.20 2jmg h LEU 78 Ca 0.44 0.09 0.10 0.00 -0.00 0.00 0.00 57.88 58.51 2jmg h LEU 78 Cb 0.75 0.29 -0.09 0.00 -0.00 0.00 0.00 40.66 41.61 2jmg h LEU 78 CO -0.50 -0.36 -0.01 0.22 -0.00 0.00 0.00 178.44 177.79 2jmg h TYR 79 N -0.48 -0.05 0.00 1.13 5.03 -0.98 0.47 116.97 122.09 2jmg h TYR 79 Ca 0.03 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 2jmg h TYR 79 Cb 0.51 0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 2jmg h TYR 79 CO -0.24 -0.13 -0.02 -0.97 -1.32 0.00 0.00 178.16 175.47 2jmg h ASN 80 N 0.11 0.00 0.00 -2.11 -1.24 -0.94 -1.81 115.58 109.59 2jmg h ASN 80 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2jmg h ASN 80 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2jmg h ASN 80 CO -0.45 0.02 -0.27 0.74 -1.29 0.00 0.00 177.43 176.18 2jmg h THR 81 N 0.00 0.00 -0.94 -3.57 2.02 0.86 -3.33 112.91 107.95 2jmg h THR 81 Ca -0.00 -0.80 0.25 0.00 0.77 0.00 0.00 66.41 66.62 2jmg h THR 81 Cb 0.10 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.38 2jmg h THR 81 CO 0.00 0.00 0.45 0.40 0.37 0.00 0.00 175.52 176.74 2jmg h ILE 82 N -0.80 0.44 -0.95 3.11 2.04 -0.42 0.36 117.51 121.28 2jmg h ILE 82 Ca 0.00 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.83 2jmg h ILE 82 Cb 0.27 -0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.27 2jmg h ILE 82 CO 0.00 0.07 0.58 0.00 0.00 0.00 0.00 178.15 178.81 2jmg h ALA 83 N 1.75 1.41 0.00 1.87 0.00 -1.51 0.22 119.26 123.00 2jmg h ALA 83 Ca 0.61 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 2jmg h ALA 83 Cb 1.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jmg h ALA 83 CO -0.55 0.19 -0.51 0.28 0.00 0.00 0.00 179.25 178.66 2jmg h VAL 84 N 0.94 0.92 -0.04 0.00 2.07 -0.47 -3.28 116.25 116.38 2jmg h VAL 84 Ca 0.47 -2.20 -0.25 0.00 0.82 0.00 0.00 66.70 65.54 2jmg h VAL 84 Cb 0.45 2.38 0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2jmg h VAL 84 CO -0.26 0.50 -0.96 0.25 0.02 0.00 0.00 177.57 177.12 2jmg h LEU 85 N 0.00 0.89 -1.38 2.57 5.85 0.57 -3.21 115.31 120.60 2jmg h LEU 85 Ca -0.01 -0.67 0.17 0.00 0.84 0.00 0.00 57.88 58.21 2jmg h LEU 85 Cb 1.34 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 2jmg h LEU 85 CO 0.07 1.47 0.57 0.22 -0.34 0.00 0.00 178.44 180.43 2jmg h TYR 86 N 0.42 0.71 0.00 1.25 5.03 -0.70 0.31 116.97 123.99 2jmg h TYR 86 Ca -0.10 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.16 2jmg h TYR 86 Cb 1.60 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 39.66 2jmg h TYR 86 CO 0.09 0.23 -0.31 0.00 -1.32 0.00 0.00 178.16 176.85 2jmg h VAL 88 N 0.00 1.23 0.00 0.00 2.07 -0.44 0.44 116.25 119.55 2jmg h VAL 88 Ca -0.00 -1.38 -0.36 0.00 0.82 0.00 0.00 66.70 65.78 2jmg h VAL 88 Cb 0.70 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 2jmg h VAL 88 CO 0.04 0.39 -2.36 1.41 0.02 0.00 0.00 177.57 177.07 2jmg n HIS 89 N -3.99 0.00 1.14 1.57 8.25 -1.02 -4.42 115.22 116.75 2jmg n HIS 89 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 2jmg n HIS 89 Cb 0.44 -0.92 0.42 0.00 1.12 0.00 0.00 29.99 31.04 2jmg n HIS 89 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2jmg n GLN 90 N -3.15 0.31 -3.22 -0.41 -0.06 0.12 -4.89 117.38 106.08 2jmg n GLN 90 Ca -0.41 -0.14 -0.15 0.00 -2.00 0.00 0.00 57.00 54.30 2jmg n GLN 90 Cb 0.97 -1.50 0.08 0.00 -4.06 0.00 0.00 30.24 25.73 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 -1.22 -5.00 -3.04 3.69 0.63 0.15 -4.96 116.66 106.91 2jmg n ARG 91 Ca 0.09 0.76 -0.43 0.00 -0.92 0.00 0.00 57.85 57.35 2jmg n ARG 91 Cb 0.33 -5.45 -0.06 0.00 0.45 0.00 0.00 32.46 27.72 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 -3.32 4.74 -0.70 5.15 -1.09 -0.89 -4.97 121.20 120.12 2jmg s ILE 92 Ca 0.09 0.25 -0.25 0.00 -2.23 0.00 0.00 60.65 58.51 2jmg s ILE 92 Cb -0.01 -4.26 -0.13 0.00 -1.58 0.00 0.00 42.46 36.48 2jmg s ILE 92 CO 0.65 -0.66 2.42 -0.67 -1.23 0.00 0.00 174.94 175.45 2jmg n ASP 93 N 6.48 1.75 -4.35 3.58 2.03 -1.26 -4.79 116.55 119.98 2jmg n ASP 93 Ca 0.00 -1.01 -0.35 0.00 0.52 0.00 0.00 54.79 53.95 2jmg n ASP 93 Cb 0.48 -1.54 -0.14 0.00 -0.72 0.00 0.00 41.12 39.20 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 12.85 3.61 -0.23 5.18 -7.23 -1.26 -4.97 120.40 128.36 2jmg s VAL 94 Ca 0.99 -0.41 0.28 0.00 -1.81 0.00 0.00 61.98 61.03 2jmg s VAL 94 Cb -0.23 -2.65 0.35 0.00 0.56 0.00 0.00 36.38 34.41 2jmg s VAL 94 CO 0.19 0.41 1.81 0.11 -0.31 0.00 0.00 175.10 177.31 2jmg h LYS 95 N 8.02 0.00 -2.27 4.82 1.79 -1.92 -3.44 116.57 123.56 2jmg h LYS 95 Ca -0.40 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.29 2jmg h LYS 95 Cb 1.17 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.76 2jmg h LYS 95 CO 0.60 0.00 0.65 0.16 -1.08 0.00 0.00 179.45 179.78 2jmg s ASP 96 N -5.57 -0.04 0.34 0.86 1.47 -1.26 -4.27 116.67 108.20 2jmg s ASP 96 Ca 0.04 -0.47 0.07 0.00 1.18 0.00 0.00 52.55 53.37 2jmg s ASP 96 Cb 0.08 0.39 0.74 0.00 -0.34 0.00 0.00 42.92 43.79 2jmg s ASP 96 CO 0.57 -0.76 1.88 0.74 0.68 0.00 0.00 175.17 178.28 2jmg h THR 97 N 2.00 0.90 -0.11 2.11 2.02 -1.44 -1.86 112.91 116.54 2jmg h THR 97 Ca -0.26 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2jmg h THR 97 Cb 1.21 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2jmg h THR 97 CO 0.32 0.14 0.04 0.50 0.37 0.00 0.00 175.52 176.89 2jmg h LYS 98 N 0.78 0.16 -0.81 6.66 3.11 -1.88 -2.58 116.57 122.00 2jmg h LYS 98 Ca 0.43 -0.03 0.19 0.00 -2.81 0.00 0.00 60.65 58.42 2jmg h LYS 98 Cb 0.57 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.72 2jmg h LYS 98 CO -0.19 0.28 0.55 0.93 -2.81 0.00 0.00 179.45 178.21 2jmg h GLU 99 N 0.01 0.31 -0.27 1.90 4.39 -1.73 0.35 114.58 119.53 2jmg h GLU 99 Ca 0.04 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2jmg h GLU 99 Cb 0.18 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2jmg h GLU 99 CO -0.00 0.21 -0.15 0.00 -1.16 0.00 0.00 179.01 177.91 2jmg h ALA 100 N 1.63 0.38 -0.00 3.43 0.00 -1.17 -1.69 119.26 121.84 2jmg h ALA 100 Ca 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jmg h ALA 100 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jmg h ALA 100 CO -0.12 0.27 -0.02 1.28 0.00 0.00 0.00 179.25 180.66 2jmg n LEU 101 N -4.43 0.02 -0.91 0.00 4.77 -0.21 -2.27 117.00 113.97 2jmg n LEU 101 Ca -0.04 0.47 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 2jmg n LEU 101 Cb 0.37 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2jmg n LEU 101 CO 0.41 0.01 0.62 -0.67 -1.33 0.00 0.00 177.39 176.43 2jmg n ASP 102 N -1.50 3.00 -0.01 -1.43 2.03 0.10 -3.91 116.55 114.83 2jmg n ASP 102 Ca 0.07 -1.88 -0.02 0.00 0.52 0.00 0.00 54.79 53.48 2jmg n ASP 102 Cb 0.34 -0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 2jmg n ASP 102 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jmg n LYS 103 N 1.16 1.85 0.10 -0.67 4.76 -0.66 -4.34 118.16 120.37 2jmg n LYS 103 Ca 0.15 0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.56 2jmg n LYS 103 Cb 0.51 -1.06 -0.03 0.00 -1.84 0.00 0.00 35.03 32.61 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 0.00 1.43 0.03 -0.18 2.04 -1.67 -3.02 117.51 116.14 2jmg h ILE 104 Ca -0.07 -2.88 -0.00 0.00 1.00 0.00 0.00 64.86 62.91 2jmg h ILE 104 Cb 1.13 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 2jmg h ILE 104 CO -0.00 0.78 -0.01 -0.08 0.00 0.00 0.00 178.15 178.84 2jmg h GLU 105 N 0.00 -0.03 -0.69 2.37 4.81 -1.81 -3.32 114.58 115.91 2jmg h GLU 105 Ca -0.01 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 2jmg h GLU 105 Cb 1.55 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.90 2jmg h GLU 105 CO 0.10 0.56 0.47 1.49 -0.73 0.00 0.00 179.01 180.90 2jmg h GLU 106 N -0.97 0.34 0.00 1.92 4.57 -1.76 0.33 114.58 119.02 2jmg h GLU 106 Ca -0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2jmg h GLU 106 Cb 0.61 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2jmg h GLU 106 CO 0.01 0.23 -0.01 0.93 -1.18 0.00 0.00 179.01 178.98 2jmg h GLU 107 N 0.35 0.00 0.00 1.92 4.39 -1.62 0.19 114.58 119.81 2jmg h GLU 107 Ca 0.33 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.85 2jmg h GLU 107 Cb 0.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 2jmg h GLU 107 CO -0.09 0.01 -2.03 1.04 -1.16 0.00 0.00 179.01 176.78 2jmg n GLN 108 N -4.03 0.95 0.05 2.33 1.13 0.63 -4.46 117.38 113.97 2jmg n GLN 108 Ca -0.03 -0.07 -0.15 0.00 -1.94 0.00 0.00 57.00 54.80 2jmg n GLN 108 Cb 0.10 -1.44 -0.06 0.00 0.11 0.00 0.00 30.24 28.96 2jmg n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2jmg h ASN 109 N 0.00 0.68 -0.85 1.08 -0.73 -0.04 -3.18 115.58 112.55 2jmg h ASN 109 Ca -0.27 -0.52 0.23 0.00 1.87 0.00 0.00 56.30 57.60 2jmg h ASN 109 Cb 1.56 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 39.90 2jmg h ASN 109 CO 0.01 1.32 0.59 0.50 -0.37 0.00 0.00 177.43 179.48 2jmg h LYS 110 N 0.32 0.13 -0.39 6.67 1.63 -0.87 0.27 116.57 124.33 2jmg h LYS 110 Ca -0.08 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2jmg h LYS 110 Cb 1.56 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.14 2jmg h LYS 110 CO 0.17 0.08 0.26 1.03 -3.45 0.00 0.00 179.45 177.55 2jmg h SER 111 N 0.13 0.27 0.15 4.20 0.87 -1.79 0.22 113.55 117.60 2jmg h SER 111 Ca 0.42 -0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.61 2jmg h SER 111 Cb 1.44 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.32 2jmg h SER 111 CO -0.06 0.18 -2.03 0.29 -0.53 0.00 0.00 176.83 174.68 2jmg n LYS 112 N -4.48 0.73 0.24 2.24 5.02 0.83 -4.09 118.16 118.66 2jmg n LYS 112 Ca 0.05 0.25 0.10 0.00 -2.02 0.00 0.00 58.31 56.69 2jmg n LYS 112 Cb 0.23 -1.69 0.63 0.00 -0.02 0.00 0.00 35.03 34.17 2jmg n LYS 112 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2jmg h LYS 113 N 0.06 0.00 -1.03 1.97 1.79 -0.87 -2.27 116.57 116.21 2jmg h LYS 113 Ca -0.43 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.61 2jmg h LYS 113 Cb 2.02 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 32.43 2jmg h LYS 113 CO 0.07 0.17 0.55 1.63 -1.08 0.00 0.00 179.45 180.78 2jmg n LYS 114 N -3.77 2.04 -0.07 3.15 5.02 0.73 -2.07 118.16 123.20 2jmg n LYS 114 Ca -0.02 -2.42 -0.11 0.00 -2.02 0.00 0.00 58.31 53.75 2jmg n LYS 114 Cb 0.27 -1.95 -0.15 0.00 -0.02 0.00 0.00 35.03 33.19 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmg n ALA 115 N -0.74 1.45 0.00 7.82 0.00 -0.86 -4.93 120.51 123.25 2jmg n ALA 115 Ca 0.48 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2jmg n ALA 115 Cb 1.30 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.29 2jmg n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n GLN 116 N -2.96 0.00 -0.02 0.00 10.64 -1.26 -4.95 117.38 118.83 2jmg n GLN 116 Ca -0.28 0.00 0.23 0.00 -1.83 0.00 0.00 57.00 55.12 2jmg n GLN 116 Cb 1.10 0.00 0.72 0.00 -0.86 0.00 0.00 30.24 31.19 2jmg n GLN 116 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2jmg h GLN 117 N 0.00 0.00 -0.89 2.61 4.20 -1.87 0.22 115.11 119.38 2jmg h GLN 117 Ca 0.00 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.97 2jmg h GLN 117 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2jmg h GLN 117 CO 0.00 0.00 0.64 0.00 -0.67 0.00 0.00 178.83 178.80 2jmg h ALA 118 N 1.62 2.82 -3.81 3.87 0.00 -1.77 -3.42 119.26 118.57 2jmg h ALA 118 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jmg h ALA 118 Cb 1.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jmg h ALA 118 CO -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 179.25 178.17 2jmg n ALA 119 N -2.71 0.00 -1.58 0.00 0.00 0.06 -4.63 120.51 111.65 2jmg n ALA 119 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 2jmg n ALA 119 Cb 0.95 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.00 -0.28 -0.05 0.00 0.00 -1.26 -4.82 120.51 111.09 2jmg n ALA 120 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 2jmg n ALA 120 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 2jmg n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmg n ASP 121 N -0.74 2.81 -4.77 0.00 2.03 -1.26 -5.01 116.55 109.60 2jmg n ASP 121 Ca -0.17 -0.02 -0.40 0.00 0.52 0.00 0.00 54.79 54.72 2jmg n ASP 121 Cb 0.56 0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2jmg s THR 122 N -2.23 2.28 0.00 5.18 -4.23 -1.26 -4.68 115.64 110.70 2jmg s THR 122 Ca -0.09 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2jmg s THR 122 Cb 0.03 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2jmg s THR 122 CO 0.35 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2jmg n GLY 123 N 0.60 0.21 3.17 3.99 0.00 -1.26 -5.15 105.19 106.74 2jmg n GLY 123 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2jmg n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jmg s ASN 124 N 0.00 -0.10 -0.03 1.61 2.47 -1.26 -5.16 114.94 112.47 2jmg s ASN 124 Ca 0.00 -0.01 0.06 0.00 0.42 0.00 0.00 52.86 53.34 2jmg s ASN 124 Cb 0.00 0.28 -0.01 0.00 -1.45 0.00 0.00 41.25 40.07 2jmg s ASN 124 CO 0.00 -0.37 -0.22 0.20 -3.72 0.00 0.00 177.10 172.99 2jmg s ASN 125 N -1.20 2.59 -0.22 -4.21 0.02 -1.26 -5.13 114.94 105.53 2jmg s ASN 125 Ca -0.13 -0.41 -0.17 0.00 -1.02 0.00 0.00 52.86 51.13 2jmg s ASN 125 Cb -0.06 -0.41 0.06 0.00 0.02 0.00 0.00 41.25 40.87 2jmg s ASN 125 CO 0.03 0.25 0.57 -0.94 0.02 0.00 0.00 177.10 177.03 2jmg s SER 126 N -0.39 -0.66 -0.16 -1.22 1.04 -1.26 -5.17 113.70 105.88 2jmg s SER 126 Ca 0.05 1.19 -0.34 0.00 0.48 0.00 0.00 55.95 57.33 2jmg s SER 126 Cb -0.10 1.16 0.14 0.00 0.10 0.00 0.00 66.02 67.32 2jmg s SER 126 CO 0.00 -0.21 1.21 -1.58 0.98 0.00 0.00 173.24 173.65 2jmg s GLN 127 N 0.75 0.33 0.55 4.02 0.74 -1.26 -5.18 119.66 119.61 2jmg s GLN 127 Ca -0.04 -0.13 0.08 0.00 0.05 0.00 0.00 55.36 55.33 2jmg s GLN 127 Cb -0.05 0.14 0.06 0.00 1.10 0.00 0.00 33.01 34.27 2jmg s GLN 127 CO -0.06 -0.14 0.64 0.14 -0.55 0.00 0.00 175.29 175.32 2jmg s VAL 128 N -2.43 2.05 0.19 1.34 -7.23 -1.26 -5.15 120.40 107.91 2jmg s VAL 128 Ca 0.10 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 2jmg s VAL 128 Cb -0.00 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2jmg s VAL 128 CO -0.05 0.00 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.75 2jmg s SER 129 N -4.51 1.83 0.07 4.85 1.04 -1.26 -5.15 113.70 110.58 2jmg s SER 129 Ca 0.52 -1.12 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 2jmg s SER 129 Cb -0.05 -0.00 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 2jmg s SER 129 CO 0.33 -0.42 0.45 0.00 0.98 0.00 0.00 173.24 174.58 2jmg s GLN 130 N -3.80 3.89 -0.10 4.02 -2.07 -1.26 -5.08 119.66 115.26 2jmg s GLN 130 Ca 0.23 0.36 -0.32 0.00 -1.82 0.00 0.00 55.36 53.81 2jmg s GLN 130 Cb 0.04 -3.06 0.12 0.00 -1.09 0.00 0.00 33.01 29.03 2jmg s GLN 130 CO 0.05 0.58 1.05 1.21 -1.32 0.00 0.00 175.29 176.86 2jmg s ASN 131 N -1.52 -0.25 0.00 12.60 3.84 -1.26 -5.38 114.94 122.97 2jmg s ASN 131 Ca 0.31 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.40 2jmg s ASN 131 Cb -0.15 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.81 2jmg s ASN 131 CO 0.17 -0.42 0.00 0.00 -2.79 0.00 0.00 177.10 174.06