#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 -3.59 4.61 0.00 -1.26 -5.00 120.51 118.72 2jmg n ALA 3 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 2jmg n ALA 3 Cb 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.07 0.25 -1.80 0.00 0.63 -1.26 -5.17 116.66 109.38 2jmg n ARG 4 Ca 0.09 -1.56 -0.30 0.00 -0.92 0.00 0.00 57.85 55.16 2jmg n ARG 4 Cb 0.46 1.35 0.18 0.00 0.45 0.00 0.00 32.46 34.91 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jmg s ALA 5 N -2.50 2.02 1.31 5.13 0.00 -1.26 -5.05 121.76 121.41 2jmg s ALA 5 Ca 0.18 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 2jmg s ALA 5 Cb 0.00 -2.81 0.28 0.00 0.00 0.00 0.00 23.12 20.59 2jmg s ALA 5 CO 0.13 -2.54 0.63 0.43 0.00 0.00 0.00 175.76 174.40 2jmg n SER 6 N -3.88 -3.57 -0.01 0.00 7.64 -1.26 -4.96 113.62 107.60 2jmg n SER 6 Ca 0.14 -0.63 0.10 0.00 1.01 0.00 0.00 58.87 59.49 2jmg n SER 6 Cb 0.60 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.91 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 -4.46 0.40 -2.10 1.43 3.00 -1.26 -4.97 116.66 108.70 2jmg n ARG 7 Ca 0.10 -0.10 -0.28 0.00 -0.01 0.00 0.00 57.85 57.56 2jmg n ARG 7 Cb 0.43 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.46 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmg s LEU 8 N -3.75 2.84 0.00 0.55 1.43 -1.26 -5.10 118.68 113.38 2jmg s LEU 8 Ca -0.00 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2jmg s LEU 8 Cb 0.15 -3.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 2jmg s LEU 8 CO 0.87 -1.52 0.15 -1.20 0.23 0.00 0.00 176.35 174.89 2jmg n SER 9 N -2.97 -0.40 -0.30 2.29 7.64 -1.26 -5.01 113.62 113.60 2jmg n SER 9 Ca 0.07 -1.72 0.13 0.00 1.01 0.00 0.00 58.87 58.37 2jmg n SER 9 Cb 0.59 0.80 0.31 0.00 -1.01 0.00 0.00 64.21 64.90 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jmg h GLY 10 N 0.72 1.50 0.83 0.23 0.00 -1.99 0.27 103.07 104.63 2jmg h GLY 10 Ca -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2jmg h GLY 10 CO 0.13 -0.30 -0.44 -1.33 0.00 0.00 0.00 176.54 174.60 2jmg h GLY 11 N 0.35 -1.20 2.00 4.60 0.00 -2.02 -2.44 103.07 104.37 2jmg h GLY 11 Ca 0.56 0.49 -0.02 0.00 0.00 0.00 0.00 47.33 48.36 2jmg h GLY 11 CO -0.56 -0.41 -0.10 0.83 0.00 0.00 0.00 176.54 176.30 2jmg h GLU 12 N -1.09 0.00 0.00 4.80 3.07 -1.77 -1.93 114.58 117.66 2jmg h GLU 12 Ca -0.09 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 2jmg h GLU 12 Cb 0.88 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 2jmg h GLU 12 CO 0.09 0.10 -0.17 1.25 -1.40 0.00 0.00 179.01 178.88 2jmg h LEU 13 N 0.00 0.00 -0.61 1.33 6.46 -0.02 -0.27 115.31 122.20 2jmg h LEU 13 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2jmg h LEU 13 Cb 0.28 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 2jmg h LEU 13 CO 0.01 0.17 0.30 -0.78 -0.62 0.00 0.00 178.44 177.53 2jmg h ASP 14 N 0.00 0.78 0.29 1.25 3.58 -1.04 -0.87 116.42 120.41 2jmg h ASP 14 Ca -0.00 -0.12 -0.34 0.00 0.42 0.00 0.00 57.03 56.99 2jmg h ASP 14 Cb 0.33 -0.20 0.03 0.00 1.72 0.00 0.00 39.33 41.21 2jmg h ASP 14 CO 0.02 0.68 -1.52 0.11 -2.88 0.00 0.00 179.24 175.66 2jmg h LYS 15 N 0.83 0.49 -0.90 0.28 6.56 -1.59 -3.01 116.57 119.23 2jmg h LYS 15 Ca 0.21 -0.84 0.05 0.00 -1.06 0.00 0.00 60.65 59.01 2jmg h LYS 15 Cb 0.09 0.31 -0.05 0.00 -0.57 0.00 0.00 32.23 32.01 2jmg h LYS 15 CO -0.03 1.40 0.59 2.35 -2.06 0.00 0.00 179.45 181.70 2jmg h TRP 16 N 0.13 1.07 -0.00 -1.35 2.91 -0.98 0.33 115.95 118.07 2jmg h TRP 16 Ca -0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.78 2jmg h TRP 16 Cb 2.14 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 30.44 2jmg h TRP 16 CO 0.12 0.60 -0.11 0.39 -1.03 0.00 0.00 178.44 178.41 2jmg n GLU 17 N -4.46 0.81 0.19 2.65 1.02 -0.34 -3.48 120.64 117.04 2jmg n GLU 17 Ca 0.13 -0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.05 2jmg n GLU 17 Cb 0.14 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.77 0.00 -5.93 3.49 3.64 -0.78 -3.42 116.57 114.34 2jmg h LYS 18 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 2jmg h LYS 18 Cb 0.36 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 2jmg h LYS 18 CO 0.00 0.09 0.40 0.42 -2.27 0.00 0.00 179.45 178.09 2jmg s ILE 19 N -3.18 4.88 0.02 2.00 1.09 -1.18 -4.97 121.20 119.87 2jmg s ILE 19 Ca 0.05 1.62 -0.22 0.00 -1.10 0.00 0.00 60.65 61.01 2jmg s ILE 19 Cb 0.06 -4.13 -0.06 0.00 -1.06 0.00 0.00 42.46 37.27 2jmg s ILE 19 CO 0.70 0.02 0.65 -0.13 -0.10 0.00 0.00 174.94 176.08 2jmg s ARG 20 N 2.21 4.37 0.14 2.79 0.52 -1.26 -2.60 118.95 125.12 2jmg s ARG 20 Ca 0.38 0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 56.26 2jmg s ARG 20 Cb -0.16 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 2jmg s ARG 20 CO 0.12 0.37 1.78 -0.07 0.02 0.00 0.00 175.30 177.52 2jmg h LEU 21 N 5.50 0.27-10.04 2.53 3.38 -0.90 -1.95 115.31 114.09 2jmg h LEU 21 Ca -0.45 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.04 2jmg h LEU 21 Cb 1.20 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2jmg h LEU 21 CO 0.69 0.20 -0.46 -0.13 0.09 0.00 0.00 178.44 178.83 2jmg s ARG 22 N -6.17 2.96 -0.02 1.13 0.52 -1.26 -3.56 118.95 112.56 2jmg s ARG 22 Ca -0.13 -1.08 -0.26 0.00 -0.52 0.00 0.00 55.73 53.74 2jmg s ARG 22 Cb 0.10 -2.62 -0.20 0.00 0.52 0.00 0.00 34.95 32.75 2jmg s ARG 22 CO 0.71 0.27 1.27 -1.00 0.02 0.00 0.00 175.30 176.56 2jmg h PRO 23 N 1.29 0.00 0.00 3.54 0.13 -1.89 -3.38 132.00 131.70 2jmg h PRO 23 Ca -0.47 -0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 2jmg h PRO 23 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2jmg h PRO 23 CO 0.59 0.49 -2.15 0.41 -0.23 0.00 0.00 178.00 177.11 2jmg n GLY 24 N 0.23 -0.87 3.14 1.56 0.00 -1.26 -4.93 105.19 103.06 2jmg n GLY 24 Ca -0.08 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2jmg n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmg n GLY 25 N 1.84 -3.28 0.52 -0.02 0.00 -1.26 -4.94 105.19 98.04 2jmg n GLY 25 Ca -0.24 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.16 2.88 -2.56 1.61 4.76 -1.26 -4.80 118.16 114.64 2jmg n LYS 26 Ca 0.10 -2.00 -0.35 0.00 -2.87 0.00 0.00 58.31 53.19 2jmg n LYS 26 Cb 0.49 -1.25 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jmg s LYS 27 N -1.13 4.04 0.13 1.97 1.02 -1.26 -4.96 119.74 119.55 2jmg s LYS 27 Ca 0.20 1.44 0.03 0.00 0.02 0.00 0.00 55.97 57.65 2jmg s LYS 27 Cb 0.11 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 2jmg s LYS 27 CO 0.12 -0.24 0.09 1.04 -0.92 0.00 0.00 175.35 175.45 2jmg n GLN 28 N -0.42 0.33 -3.87 1.68 6.02 -1.26 -0.32 117.38 119.55 2jmg n GLN 28 Ca 0.07 -1.28 -0.29 0.00 -0.01 0.00 0.00 57.00 55.49 2jmg n GLN 28 Cb 0.51 0.95 -0.04 0.00 1.02 0.00 0.00 30.24 32.68 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 -2.41 3.50 0.27 1.08 2.02 -1.07 -4.53 117.35 116.21 2jmg s TYR 29 Ca 0.13 0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 57.07 2jmg s TYR 29 Cb 0.01 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2jmg s TYR 29 CO 0.09 0.52 0.32 0.21 -1.57 0.00 0.00 175.55 175.13 2jmg s LYS 30 N -2.84 1.56 0.38 -0.62 2.20 -1.26 -4.32 119.74 114.83 2jmg s LYS 30 Ca 0.36 -1.65 0.13 0.00 -0.36 0.00 0.00 55.97 54.45 2jmg s LYS 30 Cb -0.12 0.37 0.94 0.00 -1.51 0.00 0.00 37.83 37.51 2jmg s LYS 30 CO 0.28 -0.59 1.86 -0.07 -0.36 0.00 0.00 175.35 176.46 2jmg h LEU 31 N 2.32 0.54 -0.99 5.43 -0.00 -1.99 -0.83 115.31 119.79 2jmg h LEU 31 Ca -0.30 0.05 0.31 0.00 -0.00 0.00 0.00 57.88 57.94 2jmg h LEU 31 Cb 1.24 -0.06 -0.15 0.00 -0.00 0.00 0.00 40.66 41.70 2jmg h LEU 31 CO 0.43 0.24 0.54 0.11 -0.00 0.00 0.00 178.44 179.76 2jmg h LYS 32 N 0.55 0.32 -0.05 1.13 1.79 -2.00 0.77 116.57 119.08 2jmg h LYS 32 Ca 0.46 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.87 2jmg h LYS 32 Cb 0.94 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2jmg h LYS 32 CO -0.20 0.21 -0.12 0.45 -1.08 0.00 0.00 179.45 178.70 2jmg h HIS 33 N 0.33 0.21 0.28 -1.35 3.86 -1.56 -2.78 115.15 114.14 2jmg h HIS 33 Ca 0.71 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 2jmg h HIS 33 Cb 1.60 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 30.00 2jmg h HIS 33 CO -0.03 0.73 -0.37 0.82 0.86 0.00 0.00 177.93 179.93 2jmg h ILE 34 N -0.36 0.23 -0.14 2.45 2.04 -0.94 0.31 117.51 121.09 2jmg h ILE 34 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2jmg h ILE 34 Cb 0.73 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2jmg h ILE 34 CO 0.03 0.00 -0.50 0.58 0.00 0.00 0.00 178.15 178.25 2jmg h VAL 35 N -0.71 0.05 -0.72 1.67 2.07 -1.26 0.33 116.25 117.69 2jmg h VAL 35 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2jmg h VAL 35 Cb 0.67 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2jmg h VAL 35 CO -0.12 0.00 0.47 -0.25 0.02 0.00 0.00 177.57 177.69 2jmg h TRP 36 N -0.55 0.76 0.28 1.57 7.01 -1.36 -0.69 115.95 122.98 2jmg h TRP 36 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2jmg h TRP 36 Cb 0.67 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 2jmg h TRP 36 CO -0.56 0.40 -0.14 0.00 -2.79 0.00 0.00 178.44 175.36 2jmg h ALA 37 N 1.61 -0.38 -0.41 2.65 0.00 0.13 0.32 119.26 123.18 2jmg h ALA 37 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jmg h ALA 37 Cb 0.25 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jmg h ALA 37 CO -0.10 -0.60 0.26 0.77 0.00 0.00 0.00 179.25 179.57 2jmg h SER 38 N -0.60 0.47 0.11 0.00 0.02 -0.05 -1.57 113.55 111.93 2jmg h SER 38 Ca -0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2jmg h SER 38 Cb 0.44 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2jmg h SER 38 CO 0.06 0.36 -0.05 0.03 -1.14 0.00 0.00 176.83 176.09 2jmg h ARG 39 N 0.55 -0.14 -0.77 3.45 3.08 -0.99 -3.15 114.38 116.41 2jmg h ARG 39 Ca 0.15 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.36 2jmg h ARG 39 Cb -0.04 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.94 2jmg h ARG 39 CO -0.03 0.34 0.31 1.49 -1.07 0.00 0.00 179.97 181.01 2jmg h GLU 40 N -0.86 0.43 -0.18 0.04 4.57 -0.20 0.28 114.58 118.66 2jmg h GLU 40 Ca -0.02 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2jmg h GLU 40 Cb 0.56 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2jmg h GLU 40 CO 0.03 0.28 0.12 -0.07 -1.18 0.00 0.00 179.01 178.19 2jmg h LEU 41 N 0.44 0.05 -1.00 1.64 3.38 -1.37 0.50 115.31 118.96 2jmg h LEU 41 Ca 0.43 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.30 2jmg h LEU 41 Cb 0.67 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2jmg h LEU 41 CO -0.42 0.04 -0.35 -0.08 0.09 0.00 0.00 178.44 177.72 2jmg h GLU 42 N 0.06 0.28 0.00 1.13 4.22 -0.40 -2.15 114.58 117.72 2jmg h GLU 42 Ca 0.08 -0.12 -0.20 0.00 0.08 0.00 0.00 59.36 59.20 2jmg h GLU 42 Cb 0.24 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2jmg h GLU 42 CO -0.01 0.60 -1.66 0.54 -2.18 0.00 0.00 179.01 176.30 2jmg n ARG 43 N -4.07 0.64 0.15 1.92 5.12 -0.27 -3.94 116.66 116.20 2jmg n ARG 43 Ca -0.01 0.16 0.12 0.00 -1.93 0.00 0.00 57.85 56.19 2jmg n ARG 43 Cb 0.44 -1.74 0.54 0.00 -1.16 0.00 0.00 32.46 30.54 2jmg n ARG 43 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2jmg h PHE 44 N 0.00 0.00 0.00 -1.55 0.04 0.04 -3.45 116.94 112.01 2jmg h PHE 44 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 2jmg h PHE 44 Cb 1.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.85 2jmg h PHE 44 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2jmg n ALA 45 N -1.80 0.00 -2.80 2.45 0.00 -1.14 -5.05 120.51 112.18 2jmg n ALA 45 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 2jmg n ALA 45 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.54 4.91 -0.03 0.00 1.01 -0.82 -5.03 120.40 117.89 2jmg s VAL 46 Ca 0.00 0.02 -0.36 0.00 0.00 0.00 0.00 61.98 61.64 2jmg s VAL 46 Cb 0.00 -3.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.96 2jmg s VAL 46 CO 0.00 0.38 1.62 0.59 0.00 0.00 0.00 175.10 177.69 2jmg n ASN 47 N 4.21 2.56 0.02 3.32 4.13 -1.26 -4.10 115.26 124.14 2jmg n ASN 47 Ca -0.16 1.07 0.08 0.00 1.68 0.00 0.00 54.58 57.25 2jmg n ASN 47 Cb 0.52 -1.27 0.34 0.00 -1.54 0.00 0.00 39.78 37.83 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 4.39 0.04 0.00 3.52 -0.04 -1.26 -2.70 135.00 138.95 2jmg n PRO 48 Ca 0.21 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 64.04 2jmg n PRO 48 Cb 0.22 -1.57 0.37 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.04 -0.88 0.00 0.55 0.00 -1.26 -2.34 105.19 101.22 2jmg n GLY 49 Ca 0.03 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.36 0.00 0.02 0.99 4.77 -1.10 -2.67 117.00 117.65 2jmg n LEU 50 Ca 0.06 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2jmg n LEU 50 Cb 0.14 -0.17 0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2jmg n LEU 50 CO 0.13 -0.02 0.24 0.18 -1.33 0.00 0.00 177.39 176.58 2jmg n LEU 51 N -1.17 0.62 -2.77 2.23 4.77 -0.99 -1.16 117.00 118.54 2jmg n LEU 51 Ca 0.16 -0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 2jmg n LEU 51 Cb 0.16 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2jmg n LEU 51 CO 0.19 0.09 1.16 -1.84 -1.33 0.00 0.00 177.39 175.65 2jmg n GLU 52 N -1.74 2.94 -3.30 3.23 0.28 -1.09 -4.89 120.64 116.07 2jmg n GLU 52 Ca 0.04 -3.79 0.03 0.00 -0.16 0.00 0.00 57.16 53.28 2jmg n GLU 52 Cb 0.38 -2.27 -0.04 0.00 1.43 0.00 0.00 31.44 30.94 2jmg n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2jmg s THR 53 N -5.19 -0.08 0.45 3.84 -1.32 -1.26 -4.97 115.64 107.11 2jmg s THR 53 Ca 0.51 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.19 2jmg s THR 53 Cb 0.43 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.81 2jmg s THR 53 CO -0.34 0.00 1.89 -1.28 -2.21 0.00 0.00 174.62 172.69 2jmg h SER 54 N 6.70 0.32 1.35 8.08 0.87 -1.90 0.32 113.55 129.28 2jmg h SER 54 Ca -0.16 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 2jmg h SER 54 Cb 1.13 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2jmg h SER 54 CO 0.10 0.14 -0.67 -0.33 -0.53 0.00 0.00 176.83 175.54 2jmg h GLU 55 N 0.32 0.00 -0.17 2.24 5.08 -1.95 -3.31 114.58 116.79 2jmg h GLU 55 Ca 0.41 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.63 2jmg h GLU 55 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jmg h GLU 55 CO -0.12 0.43 -0.43 0.78 -1.00 0.00 0.00 179.01 178.67 2jmg h GLY 56 N 3.57 0.65 0.73 -3.84 0.00 -0.61 -3.05 103.07 100.53 2jmg h GLY 56 Ca -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 2jmg h GLY 56 CO 0.06 0.72 -0.47 0.00 0.00 0.00 0.00 176.54 176.86 2jmg h ARG 58 N -1.08 0.37 -0.51 0.00 1.12 -1.67 0.44 114.38 113.05 2jmg h ARG 58 Ca -0.08 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 2jmg h ARG 58 Cb 0.89 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.74 2jmg h ARG 58 CO 0.04 0.25 0.23 1.96 -3.11 0.00 0.00 179.97 179.34 2jmg h GLN 59 N 0.38 0.72 -0.20 0.20 7.50 -1.29 -2.72 115.11 119.70 2jmg h GLN 59 Ca 0.58 -0.09 -0.04 0.00 0.50 0.00 0.00 58.65 59.60 2jmg h GLN 59 Cb 1.50 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.89 2jmg h GLN 59 CO -0.27 0.57 -0.05 0.82 -1.50 0.00 0.00 178.83 178.40 2jmg h ILE 60 N 0.72 1.29 -0.28 2.54 2.04 0.22 -2.85 117.51 121.19 2jmg h ILE 60 Ca 0.18 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2jmg h ILE 60 Cb 0.10 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2jmg h ILE 60 CO -0.02 0.31 0.24 -0.07 0.00 0.00 0.00 178.15 178.61 2jmg h LEU 61 N 0.11 0.00 -1.19 1.44 3.38 -1.19 -0.00 115.31 117.86 2jmg h LEU 61 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2jmg h LEU 61 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jmg h LEU 61 CO 0.02 0.00 -0.35 1.23 0.09 0.00 0.00 178.44 179.43 2jmg h GLY 62 N 0.00 0.10 0.33 0.83 0.00 -1.25 0.40 103.07 103.49 2jmg h GLY 62 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2jmg h GLY 62 CO -0.00 0.08 -0.05 1.46 0.00 0.00 0.00 176.54 178.03 2jmg h GLN 63 N 0.09 0.04 0.00 4.80 4.20 -1.03 -3.26 115.11 119.95 2jmg h GLN 63 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jmg h GLN 63 Cb 0.66 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2jmg h GLN 63 CO 0.05 0.75 0.00 -0.07 -0.67 0.00 0.00 178.83 178.89 2jmg h LEU 64 N -0.65 0.00 0.03 1.46 3.38 -1.50 -3.33 115.31 114.70 2jmg h LEU 64 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2jmg h LEU 64 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2jmg h LEU 64 CO 0.01 0.00 -0.50 1.56 0.09 0.00 0.00 178.44 179.60 2jmg h GLN 65 N 0.00 -0.62 0.00 1.13 4.20 -0.23 0.40 115.11 120.00 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 0.77 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2jmg h GLN 65 CO 0.00 -0.42 0.00 -0.35 -0.67 0.00 0.00 178.83 177.39 2jmg n PRO 66 N -5.23 0.48 -0.00 1.46 -0.04 -1.25 -1.93 135.00 128.48 2jmg n PRO 66 Ca -0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2jmg n PRO 66 Cb 0.37 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.01 1.34 -0.11 3.54 7.64 0.25 -4.49 113.62 120.78 2jmg n SER 67 Ca 0.12 -0.39 0.24 0.00 1.01 0.00 0.00 58.87 59.84 2jmg n SER 67 Cb 0.06 1.29 0.68 0.00 -1.01 0.00 0.00 64.21 65.23 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 0.05 -0.84 -3.43 3.38 0.37 0.33 115.31 115.16 2jmg h LEU 68 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jmg h LEU 68 Cb 0.44 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2jmg h LEU 68 CO 0.00 0.02 0.44 -0.61 0.09 0.00 0.00 178.44 178.38 2jmg h GLN 69 N 0.05 1.19 -1.46 1.13 5.75 -1.79 -3.29 115.11 116.69 2jmg h GLN 69 Ca 0.36 -0.15 -0.45 0.00 -0.15 0.00 0.00 58.65 58.25 2jmg h GLN 69 Cb 1.35 -0.22 -0.41 0.00 1.07 0.00 0.00 27.48 29.27 2jmg h GLN 69 CO -0.02 0.89 -1.07 0.25 -2.65 0.00 0.00 178.83 176.23 2jmg n THR 70 N -4.35 1.12 -4.24 2.39 -2.24 0.26 -5.09 114.28 102.13 2jmg n THR 70 Ca 0.08 -4.00 -0.35 0.00 -2.27 0.00 0.00 64.05 57.52 2jmg n THR 70 Cb 0.11 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.05 1.85 1.03 3.38 0.00 0.89 -5.00 107.32 106.43 2jmg s GLY 71 Ca 0.36 -0.78 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 2jmg s GLY 71 CO -0.05 -0.24 1.08 -1.35 0.00 0.00 0.00 173.10 172.54 2jmg s SER 72 N -0.20 2.09 0.58 1.64 1.04 -1.26 -4.73 113.70 112.86 2jmg s SER 72 Ca 0.06 1.70 0.28 0.00 0.48 0.00 0.00 55.95 58.47 2jmg s SER 72 Cb -0.12 -2.34 1.53 0.00 0.10 0.00 0.00 66.02 65.19 2jmg s SER 72 CO 0.02 -3.54 1.99 -0.33 0.98 0.00 0.00 173.24 172.36 2jmg h GLU 73 N -2.17 0.00 -0.04 4.02 5.08 -2.00 -1.12 114.58 118.35 2jmg h GLU 73 Ca -0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2jmg h GLU 73 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2jmg h GLU 73 CO 0.49 0.00 -0.02 1.49 -1.00 0.00 0.00 179.01 179.97 2jmg h GLU 74 N 0.00 0.08 -0.62 2.33 4.57 -2.01 -2.79 114.58 116.14 2jmg h GLU 74 Ca 0.17 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 2jmg h GLU 74 Cb 0.90 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 2jmg h GLU 74 CO -0.00 0.48 0.35 1.25 -1.18 0.00 0.00 179.01 179.91 2jmg h LEU 75 N -0.32 0.53 -0.79 1.64 6.46 -1.53 -2.05 115.31 119.25 2jmg h LEU 75 Ca 0.01 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2jmg h LEU 75 Cb 0.46 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 2jmg h LEU 75 CO 0.01 0.36 0.47 0.03 -0.62 0.00 0.00 178.44 178.68 2jmg h ARG 76 N 0.67 0.82 -0.67 1.25 3.08 -1.48 -0.86 114.38 117.19 2jmg h ARG 76 Ca 0.27 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.33 2jmg h ARG 76 Cb 0.13 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2jmg h ARG 76 CO -0.16 0.55 0.44 0.77 -1.07 0.00 0.00 179.97 180.50 2jmg h SER 77 N 0.85 0.61 0.23 7.04 0.02 -1.09 -1.68 113.55 119.52 2jmg h SER 77 Ca 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 2jmg h SER 77 Cb 0.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2jmg h SER 77 CO -0.19 0.40 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.72 2jmg h LEU 78 N 0.69 -0.26 -0.58 5.07 -0.00 -0.98 -3.13 115.31 116.12 2jmg h LEU 78 Ca 0.29 -0.21 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2jmg h LEU 78 Cb 0.25 0.07 -0.11 0.00 -0.00 0.00 0.00 40.66 40.87 2jmg h LEU 78 CO -0.09 0.26 -0.32 0.22 -0.00 0.00 0.00 178.44 178.51 2jmg h TYR 79 N -0.98 -0.87 -0.07 1.13 3.20 -1.06 0.30 116.97 118.62 2jmg h TYR 79 Ca -0.03 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2jmg h TYR 79 Cb 0.45 0.47 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2jmg h TYR 79 CO 0.05 -0.37 -0.22 -0.91 -1.64 0.00 0.00 178.16 175.07 2jmg h ASN 80 N -0.15 -0.71 -0.03 -2.11 4.21 -1.42 0.31 115.58 115.68 2jmg h ASN 80 Ca 0.24 0.09 0.04 0.00 1.21 0.00 0.00 56.30 57.87 2jmg h ASN 80 Cb 0.54 0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 37.97 2jmg h ASN 80 CO -0.67 -0.19 -0.31 0.74 -1.29 0.00 0.00 177.43 175.71 2jmg h THR 81 N -0.22 0.32 -0.85 2.81 2.02 -1.38 -1.13 112.91 114.47 2jmg h THR 81 Ca 0.02 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.39 2jmg h THR 81 Cb 0.27 0.32 -0.16 0.00 -1.74 0.00 0.00 68.15 66.84 2jmg h THR 81 CO -0.19 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 176.05 2jmg h ILE 82 N -0.44 0.19 -0.56 3.11 2.04 -0.11 0.43 117.51 122.16 2jmg h ILE 82 Ca 0.07 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2jmg h ILE 82 Cb 0.54 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2jmg h ILE 82 CO -0.28 0.01 0.17 0.00 0.00 0.00 0.00 178.15 178.04 2jmg h ALA 83 N 1.83 0.74 0.00 1.87 0.00 -0.20 -1.05 119.26 122.45 2jmg h ALA 83 Ca 0.46 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2jmg h ALA 83 Cb 0.83 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jmg h ALA 83 CO -0.80 0.41 -0.26 0.28 0.00 0.00 0.00 179.25 178.88 2jmg h VAL 84 N 0.79 1.19 0.02 0.00 2.07 0.85 -2.93 116.25 118.24 2jmg h VAL 84 Ca 0.18 -0.89 -0.18 0.00 0.82 0.00 0.00 66.70 66.63 2jmg h VAL 84 Cb 0.30 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2jmg h VAL 84 CO -0.00 0.25 -0.71 0.25 0.02 0.00 0.00 177.57 177.38 2jmg h LEU 85 N 0.00 0.59 -0.88 2.57 5.85 -0.01 -3.13 115.31 120.30 2jmg h LEU 85 Ca -0.00 -0.78 0.23 0.00 0.84 0.00 0.00 57.88 58.16 2jmg h LEU 85 Cb 0.46 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.18 2jmg h LEU 85 CO 0.03 1.30 0.32 0.22 -0.34 0.00 0.00 178.44 179.97 2jmg h TYR 86 N -0.05 0.51 -0.28 1.25 3.20 -1.01 0.34 116.97 120.94 2jmg h TYR 86 Ca -0.09 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 2jmg h TYR 86 Cb 1.43 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 2jmg h TYR 86 CO 0.14 -0.12 -0.41 0.00 -1.64 0.00 0.00 178.16 176.13 2jmg h VAL 88 N 0.54 0.98 0.07 0.00 2.07 -0.28 0.76 116.25 120.38 2jmg h VAL 88 Ca 0.04 -0.12 -0.30 0.00 0.82 0.00 0.00 66.70 67.14 2jmg h VAL 88 Cb 0.93 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2jmg h VAL 88 CO 0.08 0.07 -1.65 0.45 0.02 0.00 0.00 177.57 176.54 2jmg h HIS 89 N 0.36 0.26 -0.01 1.57 -0.00 -1.18 -3.31 115.15 112.84 2jmg h HIS 89 Ca 0.18 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2jmg h HIS 89 Cb 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2jmg h HIS 89 CO -0.00 1.30 0.00 0.94 -0.00 0.00 0.00 177.93 180.17 2jmg n GLN 90 N -3.30 1.06 -3.09 2.45 0.00 -0.71 -4.89 117.38 108.90 2jmg n GLN 90 Ca -0.18 -0.09 -0.13 0.00 -0.00 0.00 0.00 57.00 56.60 2jmg n GLN 90 Cb 1.04 -1.38 0.07 0.00 0.00 0.00 0.00 30.24 29.97 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jmg n ARG 91 N -0.78 -5.04 -4.14 3.69 3.00 -0.37 -5.02 116.66 108.01 2jmg n ARG 91 Ca 0.18 0.64 -0.34 0.00 -0.00 0.00 0.00 57.85 58.33 2jmg n ARG 91 Cb 0.10 -5.05 -0.14 0.00 0.00 0.00 0.00 32.46 27.37 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 -3.27 3.20 -0.71 5.15 1.01 0.12 -5.04 121.20 121.66 2jmg s ILE 92 Ca 0.01 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 2jmg s ILE 92 Cb -0.00 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 40.10 2jmg s ILE 92 CO 0.55 0.46 1.10 -0.62 0.00 0.00 0.00 174.94 176.43 2jmg s ASP 93 N 1.15 6.19 0.13 3.58 2.15 -1.26 -4.51 116.67 124.12 2jmg s ASP 93 Ca 0.02 -0.86 -0.12 0.00 0.43 0.00 0.00 52.55 52.02 2jmg s ASP 93 Cb -0.14 -2.47 -0.07 0.00 -0.30 0.00 0.00 42.92 39.94 2jmg s ASP 93 CO -0.02 -1.57 0.50 0.68 -0.17 0.00 0.00 175.17 174.59 2jmg s VAL 94 N 4.63 4.95 -0.11 1.11 -7.23 -1.26 -4.99 120.40 117.50 2jmg s VAL 94 Ca 0.28 0.64 0.15 0.00 -1.81 0.00 0.00 61.98 61.24 2jmg s VAL 94 Cb -0.13 -3.69 0.06 0.00 0.56 0.00 0.00 36.38 33.18 2jmg s VAL 94 CO 0.11 0.21 1.46 0.11 -0.31 0.00 0.00 175.10 176.68 2jmg h LYS 95 N 3.46 0.00 -2.28 4.82 1.57 -1.93 -3.43 116.57 118.77 2jmg h LYS 95 Ca -0.48 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 58.57 2jmg h LYS 95 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 2jmg h LYS 95 CO 0.67 0.52 0.79 0.16 -0.57 0.00 0.00 179.45 181.01 2jmg s ASP 96 N -6.47 0.01 0.60 0.86 1.47 -1.26 -4.17 116.67 107.71 2jmg s ASP 96 Ca 0.03 -0.38 0.34 0.00 1.18 0.00 0.00 52.55 53.73 2jmg s ASP 96 Cb 0.08 0.28 1.91 0.00 -0.34 0.00 0.00 42.92 44.85 2jmg s ASP 96 CO 0.74 -0.55 2.23 0.74 0.68 0.00 0.00 175.17 179.02 2jmg h THR 97 N 2.00 0.32 0.10 2.11 2.02 -1.40 -2.48 112.91 115.59 2jmg h THR 97 Ca -0.24 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2jmg h THR 97 Cb 1.20 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2jmg h THR 97 CO 0.33 0.03 -0.05 0.50 0.37 0.00 0.00 175.52 176.70 2jmg h LYS 98 N 0.00 -0.13 -0.54 6.66 3.64 -1.87 -2.46 116.57 121.87 2jmg h LYS 98 Ca -0.00 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 2jmg h LYS 98 Cb 0.12 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2jmg h LYS 98 CO 0.00 0.29 0.40 1.49 -2.27 0.00 0.00 179.45 179.35 2jmg h GLU 99 N -0.96 0.00 -0.01 1.90 4.81 -1.89 -1.10 114.58 117.34 2jmg h GLU 99 Ca -0.01 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2jmg h GLU 99 Cb 0.47 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.86 2jmg h GLU 99 CO 0.02 0.00 -0.48 0.00 -0.73 0.00 0.00 179.01 177.82 2jmg h ALA 100 N 1.71 0.07 0.00 2.92 0.00 -1.51 -1.22 119.26 121.23 2jmg h ALA 100 Ca 0.26 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jmg h ALA 100 Cb 1.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jmg h ALA 100 CO -0.00 0.27 -0.01 1.25 0.00 0.00 0.00 179.25 180.75 2jmg h LEU 101 N -0.22 0.00 0.00 0.00 7.12 -0.72 -1.99 115.31 119.50 2jmg h LEU 101 Ca -0.06 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2jmg h LEU 101 Cb 1.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2jmg h LEU 101 CO 0.10 0.01 0.00 0.47 -0.13 0.00 0.00 178.44 178.89 2jmg n ASP 102 N -3.33 0.00 -0.28 1.25 9.92 -0.79 -3.46 116.55 119.87 2jmg n ASP 102 Ca -0.03 0.10 0.23 0.00 -0.53 0.00 0.00 54.79 54.56 2jmg n ASP 102 Cb 0.11 -0.30 0.42 0.00 -0.64 0.00 0.00 41.12 40.71 2jmg n ASP 102 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jmg n LYS 103 N -1.87 -0.06 0.34 -1.24 4.76 -0.47 -0.09 118.16 119.54 2jmg n LYS 103 Ca 0.00 1.20 -0.14 0.00 -2.87 0.00 0.00 58.31 56.50 2jmg n LYS 103 Cb 0.00 -2.07 -0.07 0.00 -1.84 0.00 0.00 35.03 31.05 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 0.04 -0.80 -0.18 2.04 -1.56 -0.75 117.51 116.30 2jmg h ILE 104 Ca 0.65 -0.33 0.19 0.00 1.00 0.00 0.00 64.86 66.37 2jmg h ILE 104 Cb 1.64 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 2jmg h ILE 104 CO -0.70 0.01 0.55 -0.08 0.00 0.00 0.00 178.15 177.93 2jmg h GLU 105 N -1.22 0.28 -0.12 2.37 4.22 -0.56 0.89 114.58 120.43 2jmg h GLU 105 Ca -0.09 -0.02 -0.20 0.00 0.08 0.00 0.00 59.36 59.13 2jmg h GLU 105 Cb 0.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2jmg h GLU 105 CO 0.15 0.19 -0.74 0.93 -2.18 0.00 0.00 179.01 177.36 2jmg h GLU 106 N 0.29 0.60 -0.54 1.92 5.08 -0.42 -3.17 114.58 118.34 2jmg h GLU 106 Ca 0.40 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2jmg h GLU 106 Cb 1.14 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2jmg h GLU 106 CO -0.11 1.10 0.17 1.49 -1.00 0.00 0.00 179.01 180.67 2jmg h GLU 107 N 0.42 0.81 -0.65 2.33 4.57 0.71 -2.48 114.58 120.28 2jmg h GLU 107 Ca -0.04 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 2jmg h GLU 107 Cb 1.34 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2jmg h GLU 107 CO 0.14 0.70 0.25 0.37 -1.18 0.00 0.00 179.01 179.29 2jmg h GLN 108 N 0.79 0.97 -0.84 1.92 4.15 -1.36 -2.59 115.11 118.14 2jmg h GLN 108 Ca 0.18 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2jmg h GLN 108 Cb 0.23 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 2jmg h GLN 108 CO -0.01 0.80 0.52 -0.97 -1.93 0.00 0.00 178.83 177.24 2jmg h ASN 109 N 0.95 1.00 0.15 -0.69 -1.24 -1.43 -1.87 115.58 112.45 2jmg h ASN 109 Ca 0.22 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 2jmg h ASN 109 Cb 0.20 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 2jmg h ASN 109 CO -0.02 0.77 -0.20 0.11 -1.29 0.00 0.00 177.43 176.80 2jmg h LYS 110 N 1.15 0.11 -0.06 6.67 1.57 -1.35 -1.87 116.57 122.79 2jmg h LYS 110 Ca 0.30 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2jmg h LYS 110 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2jmg h LYS 110 CO -0.06 0.31 -0.39 0.77 -0.57 0.00 0.00 179.45 179.50 2jmg h SER 111 N 0.10 0.12 0.83 0.86 0.02 -1.07 -0.39 113.55 114.02 2jmg h SER 111 Ca 0.02 -0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 60.68 2jmg h SER 111 Cb 0.41 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jmg h SER 111 CO 0.03 0.51 -1.15 0.50 -1.14 0.00 0.00 176.83 175.58 2jmg h LYS 112 N 0.10 0.09 -0.03 3.45 3.11 -1.12 0.19 116.57 122.36 2jmg h LYS 112 Ca 0.01 -0.15 -0.19 0.00 -2.81 0.00 0.00 60.65 57.50 2jmg h LYS 112 Cb 0.75 0.06 0.01 0.00 -1.00 0.00 0.00 32.23 32.05 2jmg h LYS 112 CO 0.06 1.03 -0.73 -0.22 -2.81 0.00 0.00 179.45 176.78 2jmg h LYS 113 N 0.02 0.55 0.00 1.90 3.64 -1.15 -3.37 116.57 118.16 2jmg h LYS 113 Ca -0.08 -0.55 -0.10 0.00 -1.27 0.00 0.00 60.65 58.65 2jmg h LYS 113 Cb 1.86 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.81 2jmg h LYS 113 CO 0.15 1.17 -0.66 0.87 -2.27 0.00 0.00 179.45 178.71 2jmg h LYS 114 N 0.14 0.00 -6.33 1.90 1.79 -1.18 -3.48 116.57 109.41 2jmg h LYS 114 Ca -0.08 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.91 2jmg h LYS 114 Cb 1.40 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.01 2jmg h LYS 114 CO 0.15 0.68 -0.77 0.00 -1.08 0.00 0.00 179.45 178.43 2jmg n ALA 115 N -3.19 -1.33 -0.12 3.86 0.00 0.68 -4.89 120.51 115.52 2jmg n ALA 115 Ca -0.18 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 2jmg n ALA 115 Cb 0.47 -4.26 -0.07 0.00 0.00 0.00 0.00 19.45 15.59 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 -4.65 0.56 0.27 0.00 7.27 -1.26 -3.86 117.38 115.71 2jmg n GLN 116 Ca 0.02 0.28 0.11 0.00 0.07 0.00 0.00 57.00 57.48 2jmg n GLN 116 Cb 0.53 -1.50 0.73 0.00 2.41 0.00 0.00 30.24 32.42 2jmg n GLN 116 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 2jmg h GLN 117 N -1.00 0.00 -0.11 3.69 -0.00 -1.93 -2.29 115.11 113.48 2jmg h GLN 117 Ca -0.39 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.12 2jmg h GLN 117 Cb 1.31 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.80 2jmg h GLN 117 CO -0.23 0.03 -0.48 0.00 -0.00 0.00 0.00 178.83 178.15 2jmg h ALA 118 N 1.97 0.20 -0.67 0.06 0.00 -1.85 -0.77 119.26 118.20 2jmg h ALA 118 Ca -0.00 -0.50 0.18 0.00 0.00 0.00 0.00 54.91 54.59 2jmg h ALA 118 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2jmg h ALA 118 CO 0.00 0.37 0.47 0.00 0.00 0.00 0.00 179.25 180.09 2jmg h ALA 119 N 0.48 2.48 0.03 0.00 0.00 -1.52 -0.95 119.26 119.78 2jmg h ALA 119 Ca -0.03 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 2jmg h ALA 119 Cb 1.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2jmg h ALA 119 CO 0.10 -0.67 -1.88 0.00 0.00 0.00 0.00 179.25 176.81 2jmg n ALA 120 N -2.63 1.33 -2.88 0.00 0.00 -1.17 -4.44 120.51 110.72 2jmg n ALA 120 Ca 0.13 -0.78 -0.35 0.00 0.00 0.00 0.00 53.44 52.44 2jmg n ALA 120 Cb 0.67 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 2jmg n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmg n ASP 121 N -3.15 5.90 -0.04 0.00 8.00 -0.30 -4.86 116.55 122.10 2jmg n ASP 121 Ca -0.23 -3.62 -0.08 0.00 0.71 0.00 0.00 54.79 51.56 2jmg n ASP 121 Cb 1.06 -0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2jmg n ASP 121 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2jmg h THR 122 N 2.75 0.42 -2.82 -3.53 1.35 -1.60 -3.44 112.91 106.05 2jmg h THR 122 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2jmg h THR 122 Cb 0.46 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2jmg h THR 122 CO 1.05 0.00 -0.33 0.61 -0.25 0.00 0.00 175.52 176.60 2jmg n GLY 123 N -1.37 -3.86 3.43 5.82 0.00 -1.26 -4.90 105.19 103.05 2jmg n GLY 123 Ca -0.01 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.20 6.43 0.09 1.61 3.84 -1.26 -5.01 114.94 120.44 2jmg s ASN 124 Ca 0.00 -1.67 0.08 0.00 0.21 0.00 0.00 52.86 51.47 2jmg s ASN 124 Cb 0.00 -2.38 -0.03 0.00 -0.55 0.00 0.00 41.25 38.29 2jmg s ASN 124 CO 0.00 -1.16 -0.20 0.20 -2.79 0.00 0.00 177.10 173.15 2jmg s ASN 125 N 3.57 2.47 0.19 -4.21 0.01 -1.26 -5.15 114.94 110.57 2jmg s ASN 125 Ca 0.25 -0.64 0.02 0.00 -0.71 0.00 0.00 52.86 51.78 2jmg s ASN 125 Cb -0.12 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.36 2jmg s ASN 125 CO -0.01 0.07 0.34 -0.55 -1.51 0.00 0.00 177.10 175.44 2jmg s SER 126 N -1.73 6.34 0.10 -1.22 0.15 -1.26 -5.12 113.70 110.96 2jmg s SER 126 Ca 0.06 0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.93 2jmg s SER 126 Cb -0.10 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.30 2jmg s SER 126 CO 0.04 -0.01 0.11 0.00 1.20 0.00 0.00 173.24 174.58 2jmg n GLN 127 N -0.82 1.10 -3.59 5.44 10.64 -1.26 -5.15 117.38 123.74 2jmg n GLN 127 Ca -0.07 -0.56 -0.11 0.00 -1.83 0.00 0.00 57.00 54.43 2jmg n GLN 127 Cb 0.55 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.87 2jmg n GLN 127 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2jmg s VAL 128 N 0.04 0.00 0.34 -0.39 0.11 -1.26 -5.18 120.40 114.06 2jmg s VAL 128 Ca 0.08 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.22 2jmg s VAL 128 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2jmg s VAL 128 CO 0.05 0.00 0.16 -0.44 -3.33 0.00 0.00 175.10 171.54 2jmg s SER 129 N -0.73 4.72 0.99 3.54 0.01 -1.26 -5.11 113.70 115.86 2jmg s SER 129 Ca -0.02 -0.76 -0.14 0.00 1.31 0.00 0.00 55.95 56.35 2jmg s SER 129 Cb -0.02 -0.74 0.05 0.00 0.21 0.00 0.00 66.02 65.52 2jmg s SER 129 CO 0.01 -0.31 0.30 0.00 0.41 0.00 0.00 173.24 173.65 2jmg n GLN 130 N -1.17 -0.57 -2.72 12.44 1.13 -1.26 -4.98 117.38 120.25 2jmg n GLN 130 Ca -0.03 -0.13 -0.04 0.00 -1.94 0.00 0.00 57.00 54.86 2jmg n GLN 130 Cb 0.61 -1.81 0.09 0.00 0.11 0.00 0.00 30.24 29.24 2jmg n GLN 130 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2jmg n ASN 131 N -1.33 -0.16 0.00 1.08 6.94 -1.26 -5.25 115.26 115.28 2jmg n ASN 131 Ca 0.05 -2.33 0.00 0.00 -0.02 0.00 0.00 54.58 52.28 2jmg n ASN 131 Cb 0.55 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.18 2jmg n ASN 131 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01