#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i n ALA 3 N 0.00 1.90 -0.54 4.61 0.00 -1.26 -4.67 120.51 120.55 2h3i n ALA 3 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2h3i n ALA 3 Cb 0.00 0.30 0.17 0.00 0.00 0.00 0.00 19.45 19.92 2h3i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3i n ARG 4 N -2.00 -3.39 -1.18 0.00 3.00 -1.26 -4.87 116.66 106.96 2h3i n ARG 4 Ca 0.00 -0.85 0.07 0.00 -0.01 0.00 0.00 57.85 57.05 2h3i n ARG 4 Cb 0.39 -1.16 -0.04 0.00 0.00 0.00 0.00 32.46 31.65 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3i n ALA 5 N -4.58 -2.28 -2.73 7.54 0.00 -1.26 -4.88 120.51 112.32 2h3i n ALA 5 Ca -0.12 0.55 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 2h3i n ALA 5 Cb 0.35 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 2h3i n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h3i s SER 6 N -5.68 6.34 0.00 0.00 0.15 -1.26 -4.95 113.70 108.30 2h3i s SER 6 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2h3i s SER 6 Cb 0.00 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2h3i s SER 6 CO 0.00 0.17 0.00 0.52 1.20 0.00 0.00 173.24 175.13 2h3i n VAL 7 N 3.35 0.00 -2.51 4.45 0.31 -1.26 -5.06 118.33 117.62 2h3i n VAL 7 Ca -0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.80 2h3i n VAL 7 Cb 0.52 -0.89 -0.04 0.00 -0.91 0.00 0.00 33.84 32.52 2h3i n VAL 7 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2h3i s LEU 8 N -5.26 4.29 0.00 7.52 0.05 -1.26 -4.87 118.68 119.15 2h3i s LEU 8 Ca 0.00 2.14 0.00 0.00 0.05 0.00 0.00 54.13 56.32 2h3i s LEU 8 Cb 0.00 -3.98 0.00 0.00 -2.05 0.00 0.00 46.19 40.16 2h3i s LEU 8 CO 0.00 -0.38 0.00 -1.20 -0.55 0.00 0.00 176.35 174.22 2h3i n SER 9 N 0.39 0.00 -0.10 1.48 7.64 -1.26 -4.92 113.62 116.85 2h3i n SER 9 Ca 0.03 -0.88 -0.20 0.00 1.01 0.00 0.00 58.87 58.83 2h3i n SER 9 Cb 0.48 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2h3i h GLY 10 N 0.00 0.00 2.00 0.23 0.00 -1.99 -3.11 103.07 100.20 2h3i h GLY 10 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2h3i h GLY 10 CO 0.00 0.00 -0.28 -1.33 0.00 0.00 0.00 176.54 174.93 2h3i h GLY 11 N -1.00 0.00 1.10 4.60 0.00 -2.02 -3.00 103.07 102.75 2h3i h GLY 11 Ca -0.32 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.73 2h3i h GLY 11 CO -0.19 0.00 -1.21 -2.09 0.00 0.00 0.00 176.54 173.05 2h3i h GLU 12 N 0.00 0.51 -0.77 4.80 4.57 -1.90 -3.29 114.58 118.51 2h3i h GLU 12 Ca -0.00 -0.78 0.16 0.00 -1.18 0.00 0.00 59.36 57.56 2h3i h GLU 12 Cb 0.53 0.28 -0.11 0.00 -0.16 0.00 0.00 28.75 29.30 2h3i h GLU 12 CO 0.04 1.36 0.25 1.25 -1.18 0.00 0.00 179.01 180.72 2h3i h LEU 13 N 0.06 0.14 -0.71 1.64 5.85 -1.45 0.10 115.31 120.95 2h3i h LEU 13 Ca -0.20 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2h3i h LEU 13 Cb 1.93 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 2h3i h LEU 13 CO 0.23 0.01 0.46 0.44 -0.34 0.00 0.00 178.44 179.24 2h3i h ASP 14 N 0.34 0.82 0.06 1.25 3.32 -1.64 -2.07 116.42 118.50 2h3i h ASP 14 Ca 0.44 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 2h3i h ASP 14 Cb 0.74 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2h3i h ASP 14 CO -0.48 0.60 -0.26 0.11 -1.72 0.00 0.00 179.24 177.48 2h3i h LYS 15 N 0.96 0.33 0.43 3.56 6.56 -0.99 -1.61 116.57 125.82 2h3i h LYS 15 Ca 0.26 -0.12 -0.02 0.00 -1.06 0.00 0.00 60.65 59.71 2h3i h LYS 15 Cb -0.10 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 2h3i h LYS 15 CO -0.05 0.57 -0.21 2.35 -2.06 0.00 0.00 179.45 180.05 2h3i h TRP 16 N 0.29 -0.54 0.00 -1.35 2.91 -0.23 -2.44 115.95 114.59 2h3i h TRP 16 Ca 0.04 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2h3i h TRP 16 Cb 0.62 0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 2h3i h TRP 16 CO 0.01 -0.30 0.00 0.93 -1.03 0.00 0.00 178.44 178.06 2h3i h GLU 17 N -0.65 0.00 0.00 2.65 5.08 -1.41 -3.31 114.58 116.94 2h3i h GLU 17 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2h3i h GLU 17 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2h3i h GLU 17 CO 0.10 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.28 2h3i n LYS 18 N -2.37 0.00 -1.34 2.33 4.81 -0.61 -3.50 118.16 117.48 2h3i n LYS 18 Ca 0.02 0.48 -0.44 0.00 -0.87 0.00 0.00 58.31 57.50 2h3i n LYS 18 Cb 0.26 -1.38 -0.01 0.00 0.02 0.00 0.00 35.03 33.92 2h3i n LYS 18 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2h3i n ILE 19 N -1.93 1.12 -1.57 3.15 5.41 -1.14 -4.67 119.36 119.73 2h3i n ILE 19 Ca 0.00 -0.50 -0.00 0.00 1.00 0.00 0.00 62.75 63.25 2h3i n ILE 19 Cb 0.00 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 2h3i n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2h3i n ARG 20 N 1.18 0.28 -0.08 0.38 1.74 -1.26 -2.51 116.66 116.40 2h3i n ARG 20 Ca 0.13 -0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 57.04 2h3i n ARG 20 Cb 0.36 -0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.74 2h3i n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2h3i n LEU 21 N 0.00 1.22 -4.87 0.55 4.77 0.13 -3.64 117.00 115.17 2h3i n LEU 21 Ca 0.00 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 2h3i n LEU 21 Cb 0.00 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 2h3i n LEU 21 CO 0.00 0.35 -0.03 -0.13 -1.33 0.00 0.00 177.39 176.25 2h3i s ARG 22 N -2.28 2.59 -0.02 3.23 0.52 -1.26 -3.13 118.95 118.59 2h3i s ARG 22 Ca -0.22 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.30 2h3i s ARG 22 Cb 0.08 -2.40 -0.16 0.00 0.52 0.00 0.00 34.95 32.98 2h3i s ARG 22 CO 0.28 -0.10 1.07 -1.00 0.02 0.00 0.00 175.30 175.57 2h3i h PRO 23 N 1.11 -0.28 -1.97 3.54 0.13 -1.96 -3.35 132.00 129.21 2h3i h PRO 23 Ca -0.42 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.04 2h3i h PRO 23 Cb 1.26 0.06 -0.35 0.00 0.13 0.00 0.00 31.00 32.11 2h3i h PRO 23 CO 0.58 0.10 0.16 0.41 -0.23 0.00 0.00 178.00 179.01 2h3i n GLY 24 N 0.14 5.82 0.00 1.56 0.00 -1.26 -4.93 105.19 106.51 2h3i n GLY 24 Ca -0.09 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.28 2h3i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3i n GLY 25 N -0.36 5.89 0.08 -0.02 0.00 -1.26 -5.07 105.19 104.45 2h3i n GLY 25 Ca 0.43 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2h3i n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h3i n LYS 26 N 0.00 0.46 -3.03 1.61 3.00 -1.26 -4.97 118.16 113.98 2h3i n LYS 26 Ca 0.00 -0.79 -0.38 0.00 -0.00 0.00 0.00 58.31 57.14 2h3i n LYS 26 Cb 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 35.03 34.37 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3i s LYS 27 N -0.23 4.46 0.45 1.64 1.02 -1.26 -4.98 119.74 120.83 2h3i s LYS 27 Ca 0.01 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.06 2h3i s LYS 27 Cb 0.01 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2h3i s LYS 27 CO 0.00 0.52 0.00 1.04 -0.92 0.00 0.00 175.35 176.00 2h3i n GLN 28 N 1.34 0.91 -3.34 1.68 3.00 -1.26 0.22 117.38 119.93 2h3i n GLN 28 Ca -0.05 -3.27 -0.28 0.00 -0.01 0.00 0.00 57.00 53.39 2h3i n GLN 28 Cb 0.49 0.87 -0.03 0.00 0.00 0.00 0.00 30.24 31.57 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2h3i s TYR 29 N -2.61 3.48 0.25 1.08 2.02 -1.04 -4.67 117.35 115.85 2h3i s TYR 29 Ca 0.00 0.63 -0.09 0.00 -0.37 0.00 0.00 57.07 57.25 2h3i s TYR 29 Cb -0.00 -2.09 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2h3i s TYR 29 CO 0.00 0.17 0.39 0.21 -1.57 0.00 0.00 175.55 174.76 2h3i s LYS 30 N -3.57 1.52 0.23 -0.62 2.20 -1.26 -4.12 119.74 114.11 2h3i s LYS 30 Ca 0.44 -1.41 -0.10 0.00 -0.36 0.00 0.00 55.97 54.53 2h3i s LYS 30 Cb -0.11 0.42 0.33 0.00 -1.51 0.00 0.00 37.83 36.97 2h3i s LYS 30 CO 0.30 -0.60 1.63 -0.07 -0.36 0.00 0.00 175.35 176.25 2h3i h LEU 31 N 2.32 -0.47 -0.68 5.43 -0.00 -1.99 -0.61 115.31 119.31 2h3i h LEU 31 Ca -0.29 0.19 0.17 0.00 -0.00 0.00 0.00 57.88 57.96 2h3i h LEU 31 Cb 1.25 0.37 -0.13 0.00 -0.00 0.00 0.00 40.66 42.15 2h3i h LEU 31 CO 0.40 -0.19 -0.04 1.17 -0.00 0.00 0.00 178.44 179.78 2h3i n LYS 32 N -5.39 -0.06 -0.07 1.13 3.00 -1.26 0.18 118.16 115.69 2h3i n LYS 32 Ca 0.11 1.03 -0.13 0.00 -0.00 0.00 0.00 58.31 59.31 2h3i n LYS 32 Cb 0.40 -1.60 -0.06 0.00 0.00 0.00 0.00 35.03 33.77 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2h3i h HIS 33 N 0.00 0.69 -0.68 5.64 3.86 -1.53 -1.32 115.15 121.82 2h3i h HIS 33 Ca 0.39 -0.22 0.14 0.00 -1.16 0.00 0.00 60.37 59.52 2h3i h HIS 33 Cb 0.75 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 2h3i h HIS 33 CO -0.39 0.93 0.46 0.82 0.86 0.00 0.00 177.93 180.60 2h3i h ILE 34 N 0.26 0.81 0.07 2.45 2.04 0.19 -0.95 117.51 122.37 2h3i h ILE 34 Ca 0.03 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 2h3i h ILE 34 Cb 0.83 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2h3i h ILE 34 CO 0.06 0.06 -0.41 0.58 0.00 0.00 0.00 178.15 178.45 2h3i h VAL 35 N 0.34 1.64 -0.09 1.67 2.07 -1.10 -2.81 116.25 117.98 2h3i h VAL 35 Ca 0.33 -2.43 0.03 0.00 0.82 0.00 0.00 66.70 65.44 2h3i h VAL 35 Cb 0.81 3.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.86 2h3i h VAL 35 CO -0.09 0.66 0.16 -0.25 0.02 0.00 0.00 177.57 178.07 2h3i h TRP 36 N -0.71 0.00 0.00 1.57 7.01 -0.64 0.83 115.95 124.01 2h3i h TRP 36 Ca -0.07 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.84 2h3i h TRP 36 Cb 1.31 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 2h3i h TRP 36 CO 0.24 0.00 -0.49 0.00 -2.79 0.00 0.00 178.44 175.39 2h3i h ALA 37 N 1.75 0.09 -0.00 2.65 0.00 -1.25 -3.11 119.26 119.40 2h3i h ALA 37 Ca 0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2h3i h ALA 37 Cb 0.37 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2h3i h ALA 37 CO -0.00 0.30 -0.08 0.77 0.00 0.00 0.00 179.25 180.24 2h3i h SER 38 N -1.00 0.00 1.81 0.00 0.02 -1.16 0.12 113.55 113.34 2h3i h SER 38 Ca -0.12 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2h3i h SER 38 Cb 0.93 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2h3i h SER 38 CO -0.07 0.08 0.00 -0.09 -1.14 0.00 0.00 176.83 175.61 2h3i h ARG 39 N 0.00 0.00 0.08 3.45 2.43 -0.99 -3.25 114.38 116.11 2h3i h ARG 39 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 2h3i h ARG 39 Cb 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2h3i h ARG 39 CO 0.01 0.00 -1.88 -1.91 -1.51 0.00 0.00 179.97 174.68 2h3i n GLU 40 N -2.95 0.69 -0.22 0.20 4.07 -0.27 -4.30 120.64 117.87 2h3i n GLU 40 Ca 0.04 0.33 0.02 0.00 -0.06 0.00 0.00 57.16 57.49 2h3i n GLU 40 Cb 0.49 -1.69 0.13 0.00 -0.06 0.00 0.00 31.44 30.31 2h3i n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2h3i h LEU 41 N -0.25 0.06 -1.98 4.31 3.38 -0.93 0.20 115.31 120.09 2h3i h LEU 41 Ca -0.43 0.11 0.26 0.00 0.09 0.00 0.00 57.88 57.91 2h3i h LEU 41 Cb 1.82 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.68 2h3i h LEU 41 CO -0.02 0.03 0.65 -0.33 0.09 0.00 0.00 178.44 178.85 2h3i h GLU 42 N 0.30 0.01 0.04 1.13 5.08 -1.52 0.45 114.58 120.07 2h3i h GLU 42 Ca 0.35 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.48 2h3i h GLU 42 Cb 0.52 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2h3i h GLU 42 CO -0.41 0.01 -1.03 -0.09 -1.00 0.00 0.00 179.01 176.48 2h3i h ARG 43 N 0.01 0.14 -0.99 2.33 1.12 -0.80 -3.22 114.38 112.96 2h3i h ARG 43 Ca 0.43 -0.20 -0.17 0.00 -1.11 0.00 0.00 59.98 58.93 2h3i h ARG 43 Cb 1.71 0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 31.64 2h3i h ARG 43 CO -0.01 1.05 0.21 1.19 -3.11 0.00 0.00 179.97 179.30 2h3i n PHE 44 N -3.50 1.05 -1.40 2.20 3.72 0.14 -4.80 117.46 114.87 2h3i n PHE 44 Ca -0.04 -0.92 -0.15 0.00 -0.05 0.00 0.00 57.45 56.30 2h3i n PHE 44 Cb 0.92 -0.48 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3i n ALA 45 N -0.05 -0.22 -3.06 4.37 0.00 -1.13 -4.92 120.51 115.50 2h3i n ALA 45 Ca 0.20 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 2h3i n ALA 45 Cb 0.89 -1.61 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 2h3i n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3i s VAL 46 N -2.21 4.23 0.27 0.00 1.01 -0.34 -5.01 120.40 118.37 2h3i s VAL 46 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2h3i s VAL 46 Cb 0.00 -3.13 -0.12 0.00 0.00 0.00 0.00 36.38 33.13 2h3i s VAL 46 CO 0.00 0.14 1.55 0.59 0.00 0.00 0.00 175.10 177.38 2h3i n ASN 47 N 4.92 3.54 0.00 3.32 3.02 -1.26 -2.52 115.26 126.28 2h3i n ASN 47 Ca -0.15 1.14 0.08 0.00 -0.03 0.00 0.00 54.58 55.62 2h3i n ASN 47 Cb 0.49 -1.54 0.42 0.00 -0.61 0.00 0.00 39.78 38.54 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2h3i n PRO 48 N 2.20 0.37 0.00 3.52 -0.04 -1.26 -2.37 135.00 137.42 2h3i n PRO 48 Ca 0.10 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2h3i n PRO 48 Cb 0.35 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.71 2h3i n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3i n GLY 49 N -0.03 -1.29 0.76 0.55 0.00 -1.26 -3.66 105.19 100.25 2h3i n GLY 49 Ca 0.10 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2h3i n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h3i n LEU 50 N -1.44 2.01 -0.00 0.99 4.77 -1.00 -3.30 117.00 119.03 2h3i n LEU 50 Ca 0.07 -1.02 0.05 0.00 -0.03 0.00 0.00 56.01 55.08 2h3i n LEU 50 Cb 0.33 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 2h3i n LEU 50 CO 0.31 0.33 -0.36 0.18 -1.33 0.00 0.00 177.39 176.53 2h3i n LEU 51 N 0.15 0.22 0.09 2.23 4.77 -1.24 -2.52 117.00 120.71 2h3i n LEU 51 Ca 0.07 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 2h3i n LEU 51 Cb 0.43 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2h3i n LEU 51 CO 0.08 0.06 0.33 1.05 -1.33 0.00 0.00 177.39 177.58 2h3i h GLU 52 N 0.00 0.12 -5.68 3.23 4.11 -1.80 -3.44 114.58 111.13 2h3i h GLU 52 Ca 0.00 -0.12 -0.66 0.00 0.07 0.00 0.00 59.36 58.65 2h3i h GLU 52 Cb 0.38 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 29.46 2h3i h GLU 52 CO 0.00 0.84 -0.69 0.95 0.07 0.00 0.00 179.01 180.18 2h3i s THR 53 N -3.32 3.71 0.58 -1.06 -4.23 -1.26 -4.99 115.64 105.07 2h3i s THR 53 Ca -0.02 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.32 2h3i s THR 53 Cb 0.11 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.73 2h3i s THR 53 CO 0.80 0.55 2.11 0.77 -0.54 0.00 0.00 174.62 178.31 2h3i h SER 54 N 6.04 0.00 -0.04 3.99 4.64 -1.90 -0.11 113.55 126.18 2h3i h SER 54 Ca -0.38 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 2h3i h SER 54 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2h3i h SER 54 CO 0.57 0.00 -0.33 -0.08 -0.87 0.00 0.00 176.83 176.12 2h3i h GLU 55 N 0.00 0.51 -0.23 4.77 4.22 -1.94 -3.11 114.58 118.80 2h3i h GLU 55 Ca 0.09 -0.23 0.01 0.00 0.08 0.00 0.00 59.36 59.31 2h3i h GLU 55 Cb 0.45 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2h3i h GLU 55 CO -0.00 0.78 0.13 0.78 -2.18 0.00 0.00 179.01 178.52 2h3i h GLY 56 N 1.06 0.32 0.71 1.92 0.00 -1.16 -2.97 103.07 102.95 2h3i h GLY 56 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2h3i h GLY 56 CO 0.06 0.09 -0.06 0.00 0.00 0.00 0.00 176.54 176.63 2h3i h ARG 58 N -0.07 0.08 0.16 0.00 2.43 -1.46 0.50 114.38 116.03 2h3i h ARG 58 Ca 0.06 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.89 2h3i h ARG 58 Cb 0.16 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2h3i h ARG 58 CO -0.14 0.06 -1.69 0.37 -1.51 0.00 0.00 179.97 177.05 2h3i h GLN 59 N 0.09 0.33 -0.04 0.20 4.15 -1.30 -3.21 115.11 115.32 2h3i h GLN 59 Ca 0.81 -0.57 0.01 0.00 0.77 0.00 0.00 58.65 59.68 2h3i h GLN 59 Cb 2.63 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 30.53 2h3i h GLN 59 CO -0.35 1.27 0.04 0.82 -1.93 0.00 0.00 178.83 178.68 2h3i h ILE 60 N -0.02 0.71 0.00 2.39 2.04 0.14 -0.04 117.51 122.72 2h3i h ILE 60 Ca -0.35 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2h3i h ILE 60 Cb 1.99 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2h3i h ILE 60 CO 0.13 0.00 -0.65 -0.07 0.00 0.00 0.00 178.15 177.56 2h3i h LEU 61 N 0.00 0.00 -0.73 1.44 3.38 -0.76 -3.29 115.31 115.36 2h3i h LEU 61 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2h3i h LEU 61 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2h3i h LEU 61 CO -0.00 0.18 -0.61 1.23 0.09 0.00 0.00 178.44 179.33 2h3i h GLY 62 N 3.86 0.10 0.40 0.83 0.00 -1.00 0.13 103.07 107.39 2h3i h GLY 62 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2h3i h GLY 62 CO 0.02 0.11 -0.16 1.46 0.00 0.00 0.00 176.54 177.97 2h3i h GLN 63 N 0.06 0.12 0.00 4.80 1.08 -1.60 -3.28 115.11 116.30 2h3i h GLN 63 Ca -0.01 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 2h3i h GLN 63 Cb 1.10 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2h3i h GLN 63 CO 0.09 0.84 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.52 2h3i h LEU 64 N -0.56 0.00 -0.18 1.46 3.38 -1.62 -3.32 115.31 114.47 2h3i h LEU 64 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2h3i h LEU 64 Cb 0.89 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2h3i h LEU 64 CO 0.03 0.22 -0.52 -0.61 0.09 0.00 0.00 178.44 177.65 2h3i h GLN 65 N 0.00 -0.50 0.00 1.13 5.75 -0.79 0.39 115.11 121.08 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2h3i h GLN 65 Cb 0.96 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2h3i h GLN 65 CO 0.03 -0.34 0.00 -0.35 -2.65 0.00 0.00 178.83 175.52 2h3i n PRO 66 N -5.28 0.45 -0.00 -2.39 -0.04 -1.25 -1.90 135.00 124.59 2h3i n PRO 66 Ca -0.05 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2h3i n PRO 66 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 2h3i n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3i n SER 67 N -1.04 1.06 0.31 3.54 7.64 0.89 -4.43 113.62 121.59 2h3i n SER 67 Ca 0.11 -0.53 0.17 0.00 1.01 0.00 0.00 58.87 59.64 2h3i n SER 67 Cb 0.06 1.22 1.00 0.00 -1.01 0.00 0.00 64.21 65.48 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3i h LEU 68 N 0.00 0.00 -0.47 -3.43 3.38 0.28 0.14 115.31 115.22 2h3i h LEU 68 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2h3i h LEU 68 Cb 0.42 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 2h3i h LEU 68 CO 0.00 0.01 -0.03 -0.61 0.09 0.00 0.00 178.44 177.90 2h3i h GLN 69 N 0.00 0.08 -0.51 1.13 5.75 -1.77 -3.26 115.11 116.53 2h3i h GLN 69 Ca -0.00 -0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.23 2h3i h GLN 69 Cb 0.03 -0.02 -0.40 0.00 1.07 0.00 0.00 27.48 28.16 2h3i h GLN 69 CO 0.00 0.05 -1.11 2.41 -2.65 0.00 0.00 178.83 177.53 2h3i n THR 70 N -5.26 1.30 -2.86 2.39 -1.04 -0.99 -5.10 114.28 102.73 2h3i n THR 70 Ca 0.04 -3.00 -0.41 0.00 -2.04 0.00 0.00 64.05 58.65 2h3i n THR 70 Cb 0.25 1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 69.84 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2h3i s GLY 71 N -3.72 2.86 1.10 3.41 0.00 0.47 -5.03 107.32 106.41 2h3i s GLY 71 Ca 0.28 0.40 -0.19 0.00 0.00 0.00 0.00 44.72 45.22 2h3i s GLY 71 CO -0.03 1.34 -0.07 -1.14 0.00 0.00 0.00 173.10 173.20 2h3i n SER 72 N 3.16 -2.42 -0.23 1.64 3.41 -1.26 -4.50 113.62 113.42 2h3i n SER 72 Ca 0.01 -0.09 0.28 0.00 -0.26 0.00 0.00 58.87 58.81 2h3i n SER 72 Cb 0.50 -0.94 0.67 0.00 -0.26 0.00 0.00 64.21 64.18 2h3i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h3i h GLU 73 N -1.97 0.10 -0.35 4.33 5.08 -2.00 0.97 114.58 120.75 2h3i h GLU 73 Ca -0.52 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2h3i h GLU 73 Cb 1.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2h3i h GLU 73 CO 0.37 0.07 0.12 0.93 -1.00 0.00 0.00 179.01 179.49 2h3i h GLU 74 N 0.10 0.54 -0.44 2.33 5.08 -1.99 -0.93 114.58 119.28 2h3i h GLU 74 Ca 0.48 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2h3i h GLU 74 Cb 1.72 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 2h3i h GLU 74 CO -0.06 0.56 0.18 1.25 -1.00 0.00 0.00 179.01 179.93 2h3i h LEU 75 N 0.42 0.55 -0.23 1.33 6.46 -1.08 -0.26 115.31 122.50 2h3i h LEU 75 Ca 0.11 -0.05 -0.20 0.00 -0.12 0.00 0.00 57.88 57.62 2h3i h LEU 75 Cb 0.24 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2h3i h LEU 75 CO -0.00 0.50 -0.62 0.03 -0.62 0.00 0.00 178.44 177.72 2h3i h ARG 76 N 0.62 0.84 0.00 1.25 3.08 -1.16 -2.01 114.38 116.99 2h3i h ARG 76 Ca 0.15 -0.59 -0.05 0.00 0.07 0.00 0.00 59.98 59.56 2h3i h ARG 76 Cb 0.11 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2h3i h ARG 76 CO -0.02 1.21 -0.26 0.77 -1.07 0.00 0.00 179.97 180.60 2h3i h SER 77 N 0.60 0.00 0.07 7.04 0.02 -0.74 -2.93 113.55 117.62 2h3i h SER 77 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2h3i h SER 77 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2h3i h SER 77 CO 0.13 0.26 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.98 2h3i h LEU 78 N 0.00 -0.08 -0.84 5.07 -0.00 -0.96 -3.14 115.31 115.36 2h3i h LEU 78 Ca -0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.09 2h3i h LEU 78 Cb 0.79 0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 41.33 2h3i h LEU 78 CO 0.03 0.33 0.18 0.22 -0.00 0.00 0.00 178.44 179.21 2h3i h TYR 79 N -0.88 0.25 0.01 1.13 3.20 -1.45 0.32 116.97 119.56 2h3i h TYR 79 Ca -0.01 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2h3i h TYR 79 Cb 0.07 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2h3i h TYR 79 CO 0.00 -0.20 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.41 2h3i h ASN 80 N 0.20 -0.02 0.03 -2.11 4.21 -1.65 0.79 115.58 117.03 2h3i h ASN 80 Ca 0.50 0.00 0.03 0.00 1.21 0.00 0.00 56.30 58.05 2h3i h ASN 80 Cb 0.97 0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 38.13 2h3i h ASN 80 CO -0.64 -0.01 -0.37 0.74 -1.29 0.00 0.00 177.43 175.86 2h3i h THR 81 N -0.01 0.23 -0.89 2.81 2.02 -1.39 -1.67 112.91 114.00 2h3i h THR 81 Ca -0.00 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 2h3i h THR 81 Cb 0.01 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 66.51 2h3i h THR 81 CO -0.00 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.58 2h3i h ILE 82 N -0.54 0.35 -0.52 3.11 2.04 -0.38 0.22 117.51 121.78 2h3i h ILE 82 Ca 0.05 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2h3i h ILE 82 Cb 0.61 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2h3i h ILE 82 CO -0.27 0.05 0.28 0.00 0.00 0.00 0.00 178.15 178.20 2h3i h ALA 83 N 1.77 0.66 -0.81 1.87 0.00 0.10 -2.13 119.26 120.73 2h3i h ALA 83 Ca 0.56 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.59 2h3i h ALA 83 Cb 1.14 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2h3i h ALA 83 CO -0.63 -0.06 0.44 0.28 0.00 0.00 0.00 179.25 179.29 2h3i h VAL 84 N 0.54 0.86 0.19 0.00 2.07 -0.16 -2.34 116.25 117.41 2h3i h VAL 84 Ca 0.22 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2h3i h VAL 84 Cb 0.11 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2h3i h VAL 84 CO -0.14 0.13 -0.09 0.25 0.02 0.00 0.00 177.57 177.74 2h3i h LEU 85 N 0.72 -0.22 -0.66 2.57 5.85 -1.03 -1.05 115.31 121.49 2h3i h LEU 85 Ca 0.40 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.17 2h3i h LEU 85 Cb 0.43 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.39 2h3i h LEU 85 CO -0.28 -0.06 -0.23 0.22 -0.34 0.00 0.00 178.44 177.76 2h3i h TYR 86 N -0.37 -0.56 -0.58 1.25 3.20 -0.90 0.21 116.97 119.22 2h3i h TYR 86 Ca -0.03 0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2h3i h TYR 86 Cb 0.28 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2h3i h TYR 86 CO -0.03 -0.33 0.07 0.00 -1.64 0.00 0.00 178.16 176.24 2h3i h VAL 88 N 0.90 1.10 0.10 0.00 2.07 0.70 0.42 116.25 121.53 2h3i h VAL 88 Ca 0.18 -0.24 -0.26 0.00 0.82 0.00 0.00 66.70 67.20 2h3i h VAL 88 Cb 0.42 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2h3i h VAL 88 CO 0.01 0.13 -1.22 0.45 0.02 0.00 0.00 177.57 176.96 2h3i h HIS 89 N 0.70 0.39 -0.11 1.57 -0.00 -0.67 -3.22 115.15 113.81 2h3i h HIS 89 Ca 0.22 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2h3i h HIS 89 Cb 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2h3i h HIS 89 CO -0.00 1.23 0.00 1.04 -0.00 0.00 0.00 177.93 180.20 2h3i n GLN 90 N -3.49 1.43 -3.48 2.45 1.13 -0.74 -4.86 117.38 109.83 2h3i n GLN 90 Ca -0.07 -0.48 -0.21 0.00 -1.94 0.00 0.00 57.00 54.30 2h3i n GLN 90 Cb 1.01 -1.30 0.08 0.00 0.11 0.00 0.00 30.24 30.13 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2h3i n ARG 91 N -0.04 -7.16 -3.91 -1.09 0.63 -0.93 -4.99 116.66 99.17 2h3i n ARG 91 Ca 0.04 0.77 -0.35 0.00 -0.92 0.00 0.00 57.85 57.39 2h3i n ARG 91 Cb 0.22 -5.64 -0.13 0.00 0.45 0.00 0.00 32.46 27.36 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h3i s ILE 92 N -3.30 3.72 -0.30 5.15 1.01 0.14 -5.03 121.20 122.60 2h3i s ILE 92 Ca 0.43 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 2h3i s ILE 92 Cb -0.19 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2h3i s ILE 92 CO 0.68 0.40 0.17 -1.81 0.00 0.00 0.00 174.94 174.38 2h3i s ASP 93 N 1.40 5.71 0.52 3.58 1.11 -1.26 -4.13 116.67 123.61 2h3i s ASP 93 Ca 0.05 -0.31 0.09 0.00 0.18 0.00 0.00 52.55 52.56 2h3i s ASP 93 Cb -0.15 -2.05 0.05 0.00 1.07 0.00 0.00 42.92 41.85 2h3i s ASP 93 CO -0.00 -0.14 0.66 0.68 1.18 0.00 0.00 175.17 177.55 2h3i s VAL 94 N 1.68 2.33 -0.89 -1.27 -7.23 -1.26 -5.03 120.40 108.72 2h3i s VAL 94 Ca 0.06 -1.09 0.23 0.00 -1.81 0.00 0.00 61.98 59.37 2h3i s VAL 94 Cb -0.16 -2.41 -0.15 0.00 0.56 0.00 0.00 36.38 34.22 2h3i s VAL 94 CO 0.08 0.00 1.05 0.29 -0.31 0.00 0.00 175.10 176.21 2h3i n LYS 95 N -2.04 0.08 -3.16 4.82 5.02 -1.26 -4.78 118.16 116.84 2h3i n LYS 95 Ca 0.11 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2h3i n LYS 95 Cb 0.61 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2h3i n ASP 96 N -1.61 0.00 0.00 4.39 5.68 -1.26 -4.53 116.55 119.22 2h3i n ASP 96 Ca 0.04 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.37 2h3i n ASP 96 Cb 0.36 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.55 2h3i n ASP 96 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2h3i n THR 97 N -0.03 1.14 -0.07 2.12 -1.04 -1.18 -2.46 114.28 112.76 2h3i n THR 97 Ca 0.00 0.28 -0.05 0.00 -2.04 0.00 0.00 64.05 62.25 2h3i n THR 97 Cb 0.00 -1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 67.36 2h3i n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2h3i h LYS 98 N 0.00 0.00 0.00 -2.82 3.64 -1.91 -3.03 116.57 112.45 2h3i h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h3i h LYS 98 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2h3i h LYS 98 CO 0.00 0.08 0.01 1.49 -2.27 0.00 0.00 179.45 178.76 2h3i h GLU 99 N -1.00 0.00 0.07 1.90 4.81 -1.91 -1.43 114.58 117.01 2h3i h GLU 99 Ca -0.02 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 2h3i h GLU 99 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2h3i h GLU 99 CO -0.01 0.00 -1.17 0.00 -0.73 0.00 0.00 179.01 177.10 2h3i h ALA 100 N 1.97 0.17 -0.33 2.92 0.00 -1.63 -3.16 119.26 119.21 2h3i h ALA 100 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 2h3i h ALA 100 Cb 0.02 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2h3i h ALA 100 CO 0.00 0.67 0.10 1.25 0.00 0.00 0.00 179.25 181.27 2h3i h LEU 101 N -0.57 0.48 -0.66 0.00 7.12 -1.25 -2.98 115.31 117.46 2h3i h LEU 101 Ca -0.27 -0.21 0.01 0.00 0.13 0.00 0.00 57.88 57.54 2h3i h LEU 101 Cb 1.54 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.51 2h3i h LEU 101 CO -0.01 0.56 0.43 -0.78 -0.13 0.00 0.00 178.44 178.51 2h3i h ASP 102 N 0.38 0.76 -0.56 1.25 1.82 -1.47 0.50 116.42 119.11 2h3i h ASP 102 Ca 0.11 -0.02 0.16 0.00 -0.39 0.00 0.00 57.03 56.88 2h3i h ASP 102 Cb 0.25 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2h3i h ASP 102 CO -0.00 0.56 0.54 0.50 -1.61 0.00 0.00 179.24 179.22 2h3i h LYS 103 N 0.89 0.00 0.04 0.28 1.63 -1.48 0.29 116.57 118.22 2h3i h LYS 103 Ca 0.24 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.67 2h3i h LYS 103 Cb -0.09 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 2h3i h LYS 103 CO -0.05 0.00 -2.26 -0.89 -3.45 0.00 0.00 179.45 172.80 2h3i n ILE 104 N -3.80 1.59 0.23 2.00 5.41 -0.59 -4.04 119.36 120.16 2h3i n ILE 104 Ca 0.11 -0.64 0.08 0.00 1.00 0.00 0.00 62.75 63.30 2h3i n ILE 104 Cb 0.76 -1.41 0.57 0.00 -0.71 0.00 0.00 39.64 38.84 2h3i n ILE 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2h3i h GLU 105 N 0.02 0.00 -0.15 0.38 4.39 0.51 -2.48 114.58 117.25 2h3i h GLU 105 Ca -0.51 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.01 2h3i h GLU 105 Cb 1.99 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 2h3i h GLU 105 CO -0.01 0.20 -0.65 1.49 -1.16 0.00 0.00 179.01 178.89 2h3i h GLU 106 N 0.00 0.56 0.00 2.33 4.57 -0.68 0.30 114.58 121.66 2h3i h GLU 106 Ca -0.00 -0.40 -0.09 0.00 -1.18 0.00 0.00 59.36 57.69 2h3i h GLU 106 Cb 0.43 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2h3i h GLU 106 CO 0.03 1.02 -0.41 1.49 -1.18 0.00 0.00 179.01 179.96 2h3i h GLU 107 N 0.41 0.00 -0.25 1.92 4.57 -1.59 -2.89 114.58 116.75 2h3i h GLU 107 Ca -0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2h3i h GLU 107 Cb 1.22 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 2h3i h GLU 107 CO 0.12 0.41 -0.04 1.04 -1.18 0.00 0.00 179.01 179.35 2h3i n GLN 108 N -4.03 2.24 -0.04 1.92 1.13 -1.09 -4.63 117.38 112.88 2h3i n GLN 108 Ca -0.02 -2.95 -0.10 0.00 -1.94 0.00 0.00 57.00 51.99 2h3i n GLN 108 Cb 0.44 -1.78 0.05 0.00 0.11 0.00 0.00 30.24 29.05 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2h3i h ASN 109 N 1.22 0.73 0.29 1.08 -0.73 -0.70 -2.91 115.58 114.55 2h3i h ASN 109 Ca 0.09 -0.35 -0.04 0.00 1.87 0.00 0.00 56.30 57.86 2h3i h ASN 109 Cb 1.46 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.83 2h3i h ASN 109 CO 0.25 1.08 -0.18 0.50 -0.37 0.00 0.00 177.43 178.71 2h3i h LYS 110 N 0.54 0.00 -0.10 6.67 3.64 -1.82 -2.14 116.57 123.36 2h3i h LYS 110 Ca 0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2h3i h LYS 110 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2h3i h LYS 110 CO 0.09 0.18 -0.29 0.77 -2.27 0.00 0.00 179.45 177.94 2h3i h SER 111 N 0.00 0.19 1.23 4.20 0.02 -1.85 -2.18 113.55 115.16 2h3i h SER 111 Ca -0.00 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 2h3i h SER 111 Cb 0.38 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2h3i h SER 111 CO 0.02 0.48 -0.70 0.50 -1.14 0.00 0.00 176.83 176.00 2h3i h LYS 112 N 0.17 0.00 -0.00 3.45 3.11 -1.43 -3.24 116.57 118.62 2h3i h LYS 112 Ca 0.02 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.70 2h3i h LYS 112 Cb 0.61 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 2h3i h LYS 112 CO 0.04 0.70 -0.77 -0.22 -2.81 0.00 0.00 179.45 176.39 2h3i h LYS 113 N 0.00 0.06 0.00 1.90 3.64 -1.21 -3.09 116.57 117.87 2h3i h LYS 113 Ca -0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2h3i h LYS 113 Cb 1.50 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 2h3i h LYS 113 CO 0.09 0.80 -0.28 0.87 -2.27 0.00 0.00 179.45 178.66 2h3i h LYS 114 N 0.04 0.00 -0.83 1.90 6.56 -1.43 -2.62 116.57 120.20 2h3i h LYS 114 Ca -0.02 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.10 2h3i h LYS 114 Cb 1.35 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.75 2h3i h LYS 114 CO 0.11 0.28 0.44 0.00 -2.06 0.00 0.00 179.45 178.22 2h3i n ALA 115 N -2.40 5.43 -0.10 3.86 0.00 -1.17 -4.37 120.51 121.76 2h3i n ALA 115 Ca -0.02 -3.14 -0.10 0.00 0.00 0.00 0.00 53.44 50.19 2h3i n ALA 115 Cb 0.35 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 2h3i n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2h3i n GLN 116 N -1.07 0.81 -0.15 0.00 7.27 -0.99 -4.35 117.38 118.91 2h3i n GLN 116 Ca 0.53 -0.01 0.20 0.00 0.07 0.00 0.00 57.00 57.79 2h3i n GLN 116 Cb 1.27 -1.50 0.59 0.00 2.41 0.00 0.00 30.24 33.01 2h3i n GLN 116 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 2h3i h GLN 117 N 0.00 0.23 -0.74 3.69 -0.00 -1.76 0.74 115.11 117.27 2h3i h GLN 117 Ca -0.53 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.21 2h3i h GLN 117 Cb 2.20 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.48 29.58 2h3i h GLN 117 CO 0.03 0.15 0.49 0.00 -0.00 0.00 0.00 178.83 179.50 2h3i h ALA 118 N 1.64 1.86 -1.24 0.06 0.00 -1.89 -2.24 119.26 117.45 2h3i h ALA 118 Ca 0.38 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.62 2h3i h ALA 118 Cb 1.12 -0.14 -0.36 0.00 0.00 0.00 0.00 17.79 18.42 2h3i h ALA 118 CO -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 179.25 179.18 2h3i n ALA 119 N -2.47 5.68 0.00 0.00 0.00 0.25 -4.57 120.51 119.41 2h3i n ALA 119 Ca 0.12 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.40 2h3i n ALA 119 Cb 0.35 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2h3i n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 120 N -0.55 2.21 0.27 0.00 0.00 -0.84 -4.85 120.51 116.76 2h3i n ALA 120 Ca 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 2h3i n ALA 120 Cb 0.52 0.39 -0.09 0.00 0.00 0.00 0.00 19.45 20.27 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2h3i h ASP 121 N 0.00 -1.33 -3.43 0.00 5.19 -1.81 -3.35 116.42 111.69 2h3i h ASP 121 Ca 0.00 0.11 -0.57 0.00 -0.62 0.00 0.00 57.03 55.95 2h3i h ASP 121 Cb 0.78 0.44 0.12 0.00 0.18 0.00 0.00 39.33 40.86 2h3i h ASP 121 CO 0.00 -0.63 0.43 0.35 -3.12 0.00 0.00 179.24 176.27 2h3i n THR 122 N -5.36 2.49 0.00 0.35 -2.24 -1.26 -4.10 114.28 104.17 2h3i n THR 122 Ca -0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2h3i n THR 122 Cb 0.44 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2h3i n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h3i n GLY 123 N 0.87 1.85 3.47 3.38 0.00 -1.26 -4.79 105.19 108.71 2h3i n GLY 123 Ca 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2h3i n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h3i s ASN 124 N -4.00 -0.15 0.14 1.61 0.01 -1.26 -5.17 114.94 106.12 2h3i s ASN 124 Ca 0.00 -0.65 0.02 0.00 -0.71 0.00 0.00 52.86 51.53 2h3i s ASN 124 Cb 0.00 0.53 -0.04 0.00 0.41 0.00 0.00 41.25 42.16 2h3i s ASN 124 CO 0.00 -1.01 0.26 0.20 -1.51 0.00 0.00 177.10 175.04 2h3i s ASN 125 N -2.92 6.25 -0.32 -1.22 0.01 -1.25 -4.67 114.94 110.83 2h3i s ASN 125 Ca 0.13 0.15 -0.08 0.00 -0.71 0.00 0.00 52.86 52.35 2h3i s ASN 125 Cb 0.00 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.81 2h3i s ASN 125 CO -0.01 0.07 0.23 -1.20 -1.51 0.00 0.00 177.10 174.68 2h3i n SER 126 N -0.41 -7.69 -3.65 -1.22 7.64 -1.26 -5.06 113.62 101.98 2h3i n SER 126 Ca -0.07 0.94 -0.00 0.00 1.01 0.00 0.00 58.87 60.75 2h3i n SER 126 Cb 0.54 -4.68 -0.06 0.00 -1.01 0.00 0.00 64.21 58.99 2h3i n SER 126 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2h3i s GLN 127 N -1.91 0.22 0.26 1.43 0.74 -1.26 -5.18 119.66 113.96 2h3i s GLN 127 Ca 0.10 0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.90 2h3i s GLN 127 Cb -0.02 0.05 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 2h3i s GLN 127 CO 0.70 -0.04 0.42 0.14 -0.55 0.00 0.00 175.29 175.95 2h3i s VAL 128 N 1.13 5.21 0.56 1.34 -7.23 -1.26 -5.12 120.40 115.03 2h3i s VAL 128 Ca -0.08 -0.68 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 2h3i s VAL 128 Cb -0.03 -3.82 0.05 0.00 0.56 0.00 0.00 36.38 33.14 2h3i s VAL 128 CO -0.12 -0.35 0.77 -0.55 -0.31 0.00 0.00 175.10 174.54 2h3i s SER 129 N -3.77 5.16 -0.26 4.85 0.15 -1.26 -5.11 113.70 113.46 2h3i s SER 129 Ca 0.37 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 2h3i s SER 129 Cb -0.10 -0.50 0.10 0.00 -1.71 0.00 0.00 66.02 63.82 2h3i s SER 129 CO 0.31 -1.23 0.19 -1.10 1.20 0.00 0.00 173.24 172.61 2h3i s GLN 130 N -4.73 0.21 0.00 5.44 -1.52 -1.26 -5.03 119.66 112.78 2h3i s GLN 130 Ca 0.59 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.74 2h3i s GLN 130 Cb -0.09 -1.10 0.00 0.00 -0.22 0.00 0.00 33.01 31.61 2h3i s GLN 130 CO 0.38 -0.93 0.00 0.09 -0.25 0.00 0.00 175.29 174.58 2h3i n ASN 131 N 5.28 0.00 0.00 5.90 4.13 -1.26 -5.39 115.26 123.92 2h3i n ASN 131 Ca -0.05 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.26 2h3i n ASN 131 Cb 0.45 -0.12 0.27 0.00 -1.54 0.00 0.00 39.78 38.84 2h3i n ASN 131 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54