#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 5.67 -2.62 4.61 0.00 -1.26 -4.66 120.51 122.25 2h3i n ALA 3 Ca 0.00 -4.00 -0.11 0.00 0.00 0.00 0.00 53.44 49.32 2h3i n ALA 3 Cb 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.39 2h3i n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h3i n ARG 4 N -0.63 1.89 -0.08 0.00 3.00 -1.26 -5.11 116.66 114.48 2h3i n ARG 4 Ca 0.48 -3.61 -0.09 0.00 -0.00 0.00 0.00 57.85 54.63 2h3i n ARG 4 Cb 0.62 -1.59 0.09 0.00 0.00 0.00 0.00 32.46 31.58 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 -0.31 -1.60 -2.60 5.13 0.00 -1.26 -4.72 120.51 115.15 2h3i n ALA 5 Ca 0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 2h3i n ALA 5 Cb 0.80 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 20.21 2h3i n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h3i n SER 6 N -3.87 -6.98 0.00 0.00 7.64 -1.26 -5.02 113.62 104.13 2h3i n SER 6 Ca 0.04 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2h3i n SER 6 Cb 0.19 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 2h3i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2h3i n VAL 7 N -0.12 0.00 -2.71 0.44 0.31 -1.26 -5.07 118.33 109.91 2h3i n VAL 7 Ca 0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.05 2h3i n VAL 7 Cb 0.29 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 32.91 2h3i n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2h3i s LEU 8 N -4.02 4.17 0.00 7.52 1.43 -1.26 -5.00 118.68 121.53 2h3i s LEU 8 Ca 0.00 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2h3i s LEU 8 Cb 0.00 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 42.02 2h3i s LEU 8 CO 0.00 -0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.09 2h3i n SER 9 N 0.05 0.00 -0.11 2.29 7.64 -1.26 -4.92 113.62 117.31 2h3i n SER 9 Ca 0.04 -0.58 -0.25 0.00 1.01 0.00 0.00 58.87 59.09 2h3i n SER 9 Cb 0.51 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h3i n GLY 10 N 5.00 -0.67 0.25 0.23 0.00 -1.26 -3.22 105.19 105.52 2h3i n GLY 10 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2h3i n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h3i h GLY 11 N -0.78 0.00 0.59 -0.02 0.00 -2.01 -3.03 103.07 97.82 2h3i h GLY 11 Ca -0.49 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.55 2h3i h GLY 11 CO -0.27 0.00 -1.50 -2.09 0.00 0.00 0.00 176.54 172.68 2h3i h GLU 12 N 0.00 0.26 -0.89 4.80 4.57 -1.93 -3.31 114.58 118.08 2h3i h GLU 12 Ca -0.00 -0.44 0.11 0.00 -1.18 0.00 0.00 59.36 57.85 2h3i h GLU 12 Cb 0.60 0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 29.27 2h3i h GLU 12 CO 0.01 1.21 0.52 1.25 -1.18 0.00 0.00 179.01 180.83 2h3i h LEU 13 N -0.24 0.74 -0.39 1.64 6.46 -1.52 -0.37 115.31 121.63 2h3i h LEU 13 Ca -0.32 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2h3i h LEU 13 Cb 1.81 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.64 2h3i h LEU 13 CO 0.07 0.39 0.23 -0.78 -0.62 0.00 0.00 178.44 177.74 2h3i h ASP 14 N 0.83 0.47 -0.39 1.25 3.58 -1.68 -2.53 116.42 117.95 2h3i h ASP 14 Ca 0.44 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 2h3i h ASP 14 Cb 0.46 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2h3i h ASP 14 CO -0.27 0.38 0.07 0.11 -2.88 0.00 0.00 179.24 176.65 2h3i h LYS 15 N 0.51 0.73 -0.94 0.28 1.57 -1.38 -2.23 116.57 115.11 2h3i h LYS 15 Ca 0.14 -0.16 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2h3i h LYS 15 Cb 0.00 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 2h3i h LYS 15 CO -0.03 0.70 0.60 2.35 -0.57 0.00 0.00 179.45 182.50 2h3i h TRP 16 N 0.70 1.01 0.00 -1.35 2.91 -0.67 0.12 115.95 118.67 2h3i h TRP 16 Ca 0.15 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2h3i h TRP 16 Cb 0.33 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 2h3i h TRP 16 CO 0.02 0.44 -0.33 0.39 -1.03 0.00 0.00 178.44 177.92 2h3i n GLU 17 N -4.56 0.28 0.00 2.65 1.02 -0.99 -3.34 120.64 115.70 2h3i n GLU 17 Ca 0.17 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 2h3i n GLU 17 Cb 0.34 -1.75 0.47 0.00 -0.02 0.00 0.00 31.44 30.48 2h3i n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h3i n LYS 18 N -2.19 0.22 -3.02 3.49 4.81 0.33 -4.06 118.16 117.74 2h3i n LYS 18 Ca 0.04 -0.09 -0.40 0.00 -0.87 0.00 0.00 58.31 57.00 2h3i n LYS 18 Cb 0.44 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2h3i s ILE 19 N -2.84 4.59 0.86 3.15 1.01 -0.71 -4.95 121.20 122.29 2h3i s ILE 19 Ca 0.17 1.61 -0.13 0.00 0.00 0.00 0.00 60.65 62.30 2h3i s ILE 19 Cb 0.19 -4.10 0.12 0.00 0.01 0.00 0.00 42.46 38.68 2h3i s ILE 19 CO 0.58 0.45 1.22 -0.13 0.00 0.00 0.00 174.94 177.06 2h3i s ARG 20 N -0.60 1.51 -0.20 2.79 0.52 -1.26 -0.89 118.95 120.82 2h3i s ARG 20 Ca 0.36 -0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.43 2h3i s ARG 20 Cb -0.21 -1.93 -0.11 0.00 0.52 0.00 0.00 34.95 33.21 2h3i s ARG 20 CO 0.24 -1.86 -0.21 1.28 0.02 0.00 0.00 175.30 174.77 2h3i n LEU 21 N -3.45 2.38 -4.80 2.53 4.77 0.13 -3.32 117.00 115.24 2h3i n LEU 21 Ca 0.11 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 2h3i n LEU 21 Cb 0.60 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2h3i n LEU 21 CO 0.53 0.67 -0.12 -0.13 -1.33 0.00 0.00 177.39 177.01 2h3i s ARG 22 N -2.38 2.47 -0.02 3.23 0.52 -1.26 -3.26 118.95 118.25 2h3i s ARG 22 Ca -0.27 -1.53 -0.26 0.00 -0.52 0.00 0.00 55.73 53.15 2h3i s ARG 22 Cb 0.08 -2.27 -0.20 0.00 0.52 0.00 0.00 34.95 33.09 2h3i s ARG 22 CO 0.41 -0.00 1.26 -1.00 0.02 0.00 0.00 175.30 175.99 2h3i h PRO 23 N 1.33 -0.01 -0.72 3.54 0.13 -1.95 -3.33 132.00 131.00 2h3i h PRO 23 Ca -0.43 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.21 2h3i h PRO 23 Cb 1.26 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.08 2h3i h PRO 23 CO 0.62 0.47 -0.17 0.41 -0.23 0.00 0.00 178.00 179.10 2h3i n GLY 24 N 0.22 5.88 0.00 1.56 0.00 -1.26 -4.97 105.19 106.63 2h3i n GLY 24 Ca -0.08 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.87 4.58 0.00 -0.02 0.00 -1.25 -5.07 105.19 102.56 2h3i n GLY 25 Ca 0.47 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2h3i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h3i n LYS 26 N -0.17 0.11 -2.58 1.61 5.02 -1.26 -4.91 118.16 115.98 2h3i n LYS 26 Ca 0.00 -0.43 -0.39 0.00 -2.02 0.00 0.00 58.31 55.47 2h3i n LYS 26 Cb 0.00 -0.71 -0.05 0.00 -0.02 0.00 0.00 35.03 34.25 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3i s LYS 27 N -0.13 4.56 0.28 1.97 1.02 -1.26 -4.95 119.74 121.22 2h3i s LYS 27 Ca 0.00 1.62 0.01 0.00 0.02 0.00 0.00 55.97 57.62 2h3i s LYS 27 Cb 0.00 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 2h3i s LYS 27 CO 0.00 0.19 0.11 1.04 -0.92 0.00 0.00 175.35 175.77 2h3i n GLN 28 N 0.86 1.20 -3.92 1.68 3.00 -1.26 0.20 117.38 119.13 2h3i n GLN 28 Ca 0.01 -1.89 -0.30 0.00 -0.01 0.00 0.00 57.00 54.80 2h3i n GLN 28 Cb 0.47 0.35 -0.04 0.00 0.00 0.00 0.00 30.24 31.02 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 -1.69 3.51 0.18 1.08 2.02 -0.07 -4.59 117.35 117.79 2h3i s TYR 29 Ca 0.09 0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.96 2h3i s TYR 29 Cb -0.01 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2h3i s TYR 29 CO 0.05 0.58 0.23 0.15 -1.57 0.00 0.00 175.55 175.00 2h3i s LYS 30 N -2.58 1.19 0.28 -0.62 1.02 -1.26 -4.10 119.74 113.66 2h3i s LYS 30 Ca 0.35 -1.35 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 2h3i s LYS 30 Cb -0.13 0.34 0.63 0.00 -0.52 0.00 0.00 37.83 38.15 2h3i s LYS 30 CO 0.28 -0.42 1.62 -0.07 -0.92 0.00 0.00 175.35 175.84 2h3i h LEU 31 N 2.58 -0.28 -0.89 3.17 4.07 -1.99 0.97 115.31 122.94 2h3i h LEU 31 Ca -0.32 0.22 0.22 0.00 0.08 0.00 0.00 57.88 58.08 2h3i h LEU 31 Cb 1.23 0.37 -0.17 0.00 1.08 0.00 0.00 40.66 43.17 2h3i h LEU 31 CO 0.49 -0.23 -0.07 1.17 -1.08 0.00 0.00 178.44 178.73 2h3i n LYS 32 N -5.36 -0.07 -0.15 1.13 4.81 -1.26 0.11 118.16 117.37 2h3i n LYS 32 Ca 0.19 1.35 -0.10 0.00 -0.87 0.00 0.00 58.31 58.88 2h3i n LYS 32 Cb 0.63 -2.09 -0.01 0.00 0.02 0.00 0.00 35.03 33.58 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2h3i h HIS 33 N 0.00 0.85 0.91 5.64 3.86 -1.21 -1.69 115.15 123.50 2h3i h HIS 33 Ca 0.50 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.52 2h3i h HIS 33 Cb 0.94 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.20 2h3i h HIS 33 CO -0.53 0.83 -0.49 0.82 0.86 0.00 0.00 177.93 179.42 2h3i h ILE 34 N 0.62 0.00 -0.45 2.45 2.04 0.83 -2.07 117.51 120.92 2h3i h ILE 34 Ca 0.12 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 2h3i h ILE 34 Cb 0.50 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.50 2h3i h ILE 34 CO 0.02 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.73 2h3i h VAL 35 N -1.29 0.63 -0.24 1.67 2.07 -1.25 0.28 116.25 118.11 2h3i h VAL 35 Ca -0.12 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2h3i h VAL 35 Cb 1.01 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2h3i h VAL 35 CO 0.17 0.02 0.28 -0.25 0.02 0.00 0.00 177.57 177.80 2h3i h TRP 36 N 0.09 0.00 0.00 1.57 7.01 -1.20 -0.79 115.95 122.62 2h3i h TRP 36 Ca 0.23 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 61.08 2h3i h TRP 36 Cb 0.34 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 2h3i h TRP 36 CO -0.31 0.00 -0.85 0.00 -2.79 0.00 0.00 178.44 174.49 2h3i h ALA 37 N 1.66 0.17 -0.41 2.65 0.00 0.13 -3.11 119.26 120.35 2h3i h ALA 37 Ca 0.11 -0.92 0.12 0.00 0.00 0.00 0.00 54.91 54.22 2h3i h ALA 37 Cb 0.68 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2h3i h ALA 37 CO -0.00 0.50 0.36 1.03 0.00 0.00 0.00 179.25 181.14 2h3i h SER 38 N -1.00 0.00 1.16 0.00 0.87 -0.23 0.46 113.55 114.82 2h3i h SER 38 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2h3i h SER 38 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2h3i h SER 38 CO -0.13 0.00 -0.71 0.03 -0.53 0.00 0.00 176.83 175.49 2h3i h ARG 39 N 0.00 0.00 0.12 2.24 3.08 -1.30 -3.35 114.38 115.17 2h3i h ARG 39 Ca 0.20 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.98 2h3i h ARG 39 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2h3i h ARG 39 CO -0.00 0.00 -1.31 1.49 -1.07 0.00 0.00 179.97 179.07 2h3i h GLU 40 N 0.00 0.25 -0.54 0.04 4.57 -0.12 -3.37 114.58 115.41 2h3i h GLU 40 Ca 0.00 -0.42 0.11 0.00 -1.18 0.00 0.00 59.36 57.87 2h3i h GLU 40 Cb 0.94 0.16 -0.09 0.00 -0.16 0.00 0.00 28.75 29.59 2h3i h GLU 40 CO 0.00 1.20 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.92 2h3i h LEU 41 N -0.33 -0.33 -1.92 1.64 3.38 -1.05 0.25 115.31 116.95 2h3i h LEU 41 Ca -0.28 0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.11 2h3i h LEU 41 Cb 1.73 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.71 2h3i h LEU 41 CO 0.07 -0.12 0.70 -0.08 0.09 0.00 0.00 178.44 179.09 2h3i h GLU 42 N 0.07 0.05 0.02 1.13 4.81 -1.53 0.50 114.58 119.63 2h3i h GLU 42 Ca 0.27 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.28 2h3i h GLU 42 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2h3i h GLU 42 CO -0.49 0.04 -0.95 0.00 -0.73 0.00 0.00 179.01 176.87 2h3i h ARG 43 N 0.06 0.26 -0.97 1.92 2.47 -0.67 -3.17 114.38 114.27 2h3i h ARG 43 Ca 0.48 -0.31 -0.18 0.00 -1.26 0.00 0.00 59.98 58.71 2h3i h ARG 43 Cb 1.80 0.09 -0.11 0.00 -1.65 0.00 0.00 29.97 30.11 2h3i h ARG 43 CO -0.04 1.04 0.23 1.19 0.56 0.00 0.00 179.97 182.94 2h3i n PHE 44 N -3.65 1.20 -1.55 3.04 3.72 0.15 -4.81 117.46 115.55 2h3i n PHE 44 Ca -0.05 -0.93 -0.19 0.00 -0.05 0.00 0.00 57.45 56.23 2h3i n PHE 44 Cb 0.85 -0.49 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.11 -0.29 -3.12 4.37 0.00 -1.08 -4.93 120.51 115.35 2h3i n ALA 45 Ca 0.22 0.31 -0.37 0.00 0.00 0.00 0.00 53.44 53.60 2h3i n ALA 45 Cb 0.93 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.61 4.11 0.25 0.00 1.01 0.08 -4.99 120.40 118.25 2h3i s VAL 46 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2h3i s VAL 46 Cb 0.00 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 2h3i s VAL 46 CO 0.00 0.14 1.64 0.59 0.00 0.00 0.00 175.10 177.47 2h3i n ASN 47 N 4.89 3.83 0.00 3.32 3.02 -1.26 -2.01 115.26 127.06 2h3i n ASN 47 Ca -0.15 1.11 0.07 0.00 -0.03 0.00 0.00 54.58 55.58 2h3i n ASN 47 Cb 0.49 -1.57 0.41 0.00 -0.61 0.00 0.00 39.78 38.50 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 3.01 0.32 -0.05 3.52 -0.04 -1.26 -2.52 135.00 137.98 2h3i n PRO 48 Ca 0.12 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2h3i n PRO 48 Cb 0.35 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.16 0.16 0.55 0.00 -1.26 -3.56 105.19 100.89 2h3i n GLY 49 Ca 0.09 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2h3i n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h3i h LEU 50 N 1.45 0.00 0.00 0.99 3.38 -1.88 -3.25 115.31 116.00 2h3i h LEU 50 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 50 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2h3i h LEU 50 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2h3i n LEU 51 N -2.86 0.00 -2.57 1.67 4.77 -1.23 -3.22 117.00 113.55 2h3i n LEU 51 Ca 0.02 0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 56.00 2h3i n LEU 51 Cb 0.54 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2h3i n LEU 51 CO 0.37 -0.14 1.48 -1.84 -1.33 0.00 0.00 177.39 175.94 2h3i n GLU 52 N -1.37 2.73 -3.19 3.23 0.28 -1.23 -4.84 120.64 116.25 2h3i n GLU 52 Ca 0.07 -3.40 0.04 0.00 -0.16 0.00 0.00 57.16 53.71 2h3i n GLU 52 Cb 0.18 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 30.73 2h3i n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2h3i s THR 53 N -4.94 -0.09 0.41 3.84 -1.32 -1.20 -4.98 115.64 107.36 2h3i s THR 53 Ca 0.59 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.25 2h3i s THR 53 Cb 0.48 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.85 2h3i s THR 53 CO -0.18 0.00 1.83 0.28 -2.21 0.00 0.00 174.62 174.33 2h3i h SER 54 N 7.11 0.43 1.06 8.08 0.02 -1.88 0.51 113.55 128.88 2h3i h SER 54 Ca -0.13 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 2h3i h SER 54 Cb 1.13 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2h3i h SER 54 CO 0.06 0.14 -0.54 -0.33 -1.14 0.00 0.00 176.83 175.02 2h3i h GLU 55 N 0.41 0.00 -0.26 3.45 5.08 -1.95 -3.28 114.58 118.02 2h3i h GLU 55 Ca 0.51 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.89 2h3i h GLU 55 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2h3i h GLU 55 CO -0.21 0.54 0.13 0.78 -1.00 0.00 0.00 179.01 179.25 2h3i h GLY 56 N 2.66 0.35 0.54 -3.84 0.00 -0.14 -2.95 103.07 99.69 2h3i h GLY 56 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2h3i h GLY 56 CO 0.07 0.08 -0.17 0.00 0.00 0.00 0.00 176.54 176.51 2h3i h ARG 58 N -0.27 0.14 0.07 0.00 3.08 -1.63 0.51 114.38 116.30 2h3i h ARG 58 Ca 0.07 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 2h3i h ARG 58 Cb 0.36 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.39 2h3i h ARG 58 CO -0.19 0.09 -0.82 0.37 -1.07 0.00 0.00 179.97 178.35 2h3i h GLN 59 N 0.15 0.43 0.72 0.04 4.15 -1.20 -3.19 115.11 116.20 2h3i h GLN 59 Ca 0.77 -0.56 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 2h3i h GLN 59 Cb 2.34 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 30.21 2h3i h GLN 59 CO -0.40 1.22 -0.43 0.82 -1.93 0.00 0.00 178.83 178.11 2h3i h ILE 60 N -0.10 0.14 -0.73 2.39 2.04 0.80 -2.02 117.51 120.03 2h3i h ILE 60 Ca -0.12 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.95 2h3i h ILE 60 Cb 1.57 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2h3i h ILE 60 CO 0.16 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.86 2h3i h LEU 61 N -1.07 0.00 -1.02 1.44 3.38 -1.13 0.27 115.31 117.18 2h3i h LEU 61 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2h3i h LEU 61 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2h3i h LEU 61 CO 0.10 0.00 -0.18 1.23 0.09 0.00 0.00 178.44 179.68 2h3i h GLY 62 N 0.00 0.53 0.81 0.83 0.00 -1.35 0.35 103.07 104.24 2h3i h GLY 62 Ca 0.35 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2h3i h GLY 62 CO -0.00 0.36 -0.24 1.46 0.00 0.00 0.00 176.54 178.13 2h3i h GLN 63 N 0.45 0.47 0.00 4.80 7.50 -0.33 -3.13 115.11 124.86 2h3i h GLN 63 Ca 0.08 -0.27 -0.02 0.00 0.50 0.00 0.00 58.65 58.94 2h3i h GLN 63 Cb 0.57 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.12 2h3i h GLN 63 CO 0.04 0.86 -0.08 -0.07 -1.50 0.00 0.00 178.83 178.08 2h3i h LEU 64 N 0.11 0.00 -0.20 1.46 3.38 -1.44 -3.34 115.31 115.29 2h3i h LEU 64 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2h3i h LEU 64 Cb 0.80 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2h3i h LEU 64 CO 0.06 0.08 -0.54 1.56 0.09 0.00 0.00 178.44 179.69 2h3i h GLN 65 N 0.00 -0.51 0.00 1.13 4.20 -0.24 0.50 115.11 120.18 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2h3i h GLN 65 Cb 0.97 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2h3i h GLN 65 CO 0.01 -0.34 0.00 -0.35 -0.67 0.00 0.00 178.83 177.48 2h3i n PRO 66 N -5.35 0.49 -0.00 1.46 -0.04 -1.25 -1.85 135.00 128.45 2h3i n PRO 66 Ca -0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.44 2h3i n PRO 66 Cb 0.36 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 2h3i n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h3i n SER 67 N -0.90 0.91 0.23 3.54 2.88 0.11 -4.55 113.62 115.85 2h3i n SER 67 Ca 0.09 -0.54 0.16 0.00 -1.33 0.00 0.00 58.87 57.25 2h3i n SER 67 Cb 0.04 1.07 0.84 0.00 -0.75 0.00 0.00 64.21 65.41 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2h3i h LEU 68 N 0.00 0.00 -0.51 2.46 3.38 0.53 0.20 115.31 121.36 2h3i h LEU 68 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2h3i h LEU 68 Cb 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 2h3i h LEU 68 CO 0.00 0.00 -0.04 -0.61 0.09 0.00 0.00 178.44 177.88 2h3i h GLN 69 N 0.00 0.07 -0.68 1.13 5.75 -1.80 -3.28 115.11 116.30 2h3i h GLN 69 Ca 0.06 -0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.25 2h3i h GLN 69 Cb 0.32 -0.02 -0.37 0.00 1.07 0.00 0.00 27.48 28.48 2h3i h GLN 69 CO -0.00 0.05 -1.06 -2.37 -2.65 0.00 0.00 178.83 172.80 2h3i n THR 70 N -5.28 0.95 -2.83 2.39 5.66 -0.88 -5.11 114.28 109.19 2h3i n THR 70 Ca 0.06 -2.78 -0.41 0.00 -3.05 0.00 0.00 64.05 57.87 2h3i n THR 70 Cb 0.28 0.92 -0.04 0.00 -1.55 0.00 0.00 70.33 69.94 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2h3i s GLY 71 N -3.10 2.89 1.06 1.09 0.00 0.66 -5.03 107.32 104.90 2h3i s GLY 71 Ca 0.26 0.44 -0.18 0.00 0.00 0.00 0.00 44.72 45.24 2h3i s GLY 71 CO -0.01 1.35 -0.14 -1.14 0.00 0.00 0.00 173.10 173.16 2h3i n SER 72 N 3.01 -2.58 -0.19 1.64 3.41 -1.26 -4.42 113.62 113.23 2h3i n SER 72 Ca 0.01 0.00 0.28 0.00 -0.26 0.00 0.00 58.87 58.90 2h3i n SER 72 Cb 0.50 -0.94 0.70 0.00 -0.26 0.00 0.00 64.21 64.20 2h3i n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2h3i h GLU 73 N -1.78 0.05 -0.11 4.33 4.11 -1.99 0.14 114.58 119.32 2h3i h GLU 73 Ca -0.49 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2h3i h GLU 73 Cb 1.35 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2h3i h GLU 73 CO 0.35 0.03 -0.03 0.93 0.07 0.00 0.00 179.01 180.35 2h3i h GLU 74 N 0.05 0.22 -0.64 1.06 5.08 -1.98 -0.43 114.58 117.93 2h3i h GLU 74 Ca 0.44 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 2h3i h GLU 74 Cb 1.67 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 2h3i h GLU 74 CO -0.03 0.54 0.43 1.25 -1.00 0.00 0.00 179.01 180.19 2h3i h LEU 75 N -0.11 0.71 -0.10 1.33 6.46 -1.26 0.11 115.31 122.45 2h3i h LEU 75 Ca 0.03 -0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 2h3i h LEU 75 Cb 0.46 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2h3i h LEU 75 CO 0.01 0.50 -0.47 0.03 -0.62 0.00 0.00 178.44 177.90 2h3i h ARG 76 N 0.83 0.49 0.00 1.25 -0.00 -1.31 -2.77 114.38 112.88 2h3i h ARG 76 Ca 0.24 -0.40 -0.05 0.00 -0.50 0.00 0.00 59.98 59.28 2h3i h ARG 76 Cb -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 2h3i h ARG 76 CO -0.06 1.03 -0.25 1.03 0.00 0.00 0.00 179.97 181.72 2h3i h SER 77 N 0.07 0.00 0.36 7.04 0.87 -0.65 -2.91 113.55 118.33 2h3i h SER 77 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2h3i h SER 77 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2h3i h SER 77 CO 0.10 0.25 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.40 2h3i h LEU 78 N 0.00 -0.40 -1.00 2.23 -0.00 -0.76 -2.88 115.31 112.49 2h3i h LEU 78 Ca -0.00 -0.11 0.22 0.00 -0.00 0.00 0.00 57.88 57.99 2h3i h LEU 78 Cb 0.56 0.10 -0.12 0.00 -0.00 0.00 0.00 40.66 41.21 2h3i h LEU 78 CO 0.03 0.05 0.59 0.22 -0.00 0.00 0.00 178.44 179.33 2h3i h TYR 79 N -1.03 1.02 0.00 1.13 5.03 -1.48 0.66 116.97 122.29 2h3i h TYR 79 Ca -0.05 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 2h3i h TYR 79 Cb 0.49 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2h3i h TYR 79 CO 0.03 0.13 -0.23 -0.91 -1.32 0.00 0.00 178.16 175.86 2h3i h ASN 80 N 0.65 0.00 0.00 -2.11 4.21 -1.55 -1.55 115.58 115.22 2h3i h ASN 80 Ca 0.61 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.12 2h3i h ASN 80 Cb 1.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 2h3i h ASN 80 CO -0.44 0.23 -0.20 0.74 -1.29 0.00 0.00 177.43 176.47 2h3i h THR 81 N 0.00 0.00 -1.06 2.81 2.02 0.34 -3.32 112.91 113.71 2h3i h THR 81 Ca -0.00 -0.61 0.30 0.00 0.77 0.00 0.00 66.41 66.87 2h3i h THR 81 Cb 0.41 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.70 2h3i h THR 81 CO 0.03 0.00 0.64 0.40 0.37 0.00 0.00 175.52 176.96 2h3i h ILE 82 N -0.61 0.39 -0.55 3.11 2.04 -0.52 0.27 117.51 121.64 2h3i h ILE 82 Ca 0.00 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2h3i h ILE 82 Cb 0.20 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2h3i h ILE 82 CO 0.00 0.07 0.30 0.00 0.00 0.00 0.00 178.15 178.52 2h3i h ALA 83 N 1.73 0.71 -0.57 1.87 0.00 -1.45 -0.74 119.26 120.81 2h3i h ALA 83 Ca 0.69 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.64 2h3i h ALA 83 Cb 1.65 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2h3i h ALA 83 CO -0.47 -0.02 0.33 0.28 0.00 0.00 0.00 179.25 179.37 2h3i h VAL 84 N 0.59 1.02 0.17 0.00 2.07 -0.55 -2.72 116.25 116.83 2h3i h VAL 84 Ca 0.23 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2h3i h VAL 84 Cb 0.10 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2h3i h VAL 84 CO -0.14 0.12 -0.08 0.25 0.02 0.00 0.00 177.57 177.74 2h3i h LEU 85 N 0.64 -0.19 -0.83 2.57 5.85 -1.18 -2.00 115.31 120.15 2h3i h LEU 85 Ca 0.24 -0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.98 2h3i h LEU 85 Cb 0.08 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.00 2h3i h LEU 85 CO -0.13 0.02 -0.27 0.22 -0.34 0.00 0.00 178.44 177.95 2h3i h TYR 86 N -0.41 -0.65 -0.40 1.25 3.20 -0.94 0.60 116.97 119.62 2h3i h TYR 86 Ca -0.02 0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2h3i h TYR 86 Cb 0.32 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2h3i h TYR 86 CO -0.01 -0.38 -0.07 0.00 -1.64 0.00 0.00 178.16 176.07 2h3i h VAL 88 N 0.63 1.10 0.05 0.00 2.07 0.92 0.36 116.25 121.37 2h3i h VAL 88 Ca 0.12 -0.20 -0.25 0.00 0.82 0.00 0.00 66.70 67.19 2h3i h VAL 88 Cb 0.49 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2h3i h VAL 88 CO 0.03 0.10 -1.19 0.45 0.02 0.00 0.00 177.57 176.98 2h3i h HIS 89 N 0.48 0.19 -0.24 1.57 -0.00 -0.71 -3.25 115.15 113.18 2h3i h HIS 89 Ca 0.13 -0.14 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 2h3i h HIS 89 Cb -0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 2h3i h HIS 89 CO 0.00 1.12 0.07 0.94 -0.00 0.00 0.00 177.93 180.06 2h3i n GLN 90 N -3.39 2.07 -1.72 2.45 -0.06 -0.86 -4.82 117.38 111.04 2h3i n GLN 90 Ca -0.06 -1.07 -0.17 0.00 -2.00 0.00 0.00 57.00 53.70 2h3i n GLN 90 Cb 0.98 -1.65 -0.06 0.00 -4.06 0.00 0.00 30.24 25.45 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2h3i n ARG 91 N 0.13 -1.50 -2.95 3.69 0.63 -1.09 -4.91 116.66 110.65 2h3i n ARG 91 Ca 0.13 0.99 -0.42 0.00 -0.92 0.00 0.00 57.85 57.63 2h3i n ARG 91 Cb 0.68 -5.39 -0.05 0.00 0.45 0.00 0.00 32.46 28.15 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 -2.57 4.75 -0.39 5.15 1.01 0.12 -5.02 121.20 124.24 2h3i s ILE 92 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 61.40 2h3i s ILE 92 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2h3i s ILE 92 CO 0.00 -0.38 0.82 -1.81 0.00 0.00 0.00 174.94 173.58 2h3i s ASP 93 N 1.77 6.54 0.32 3.58 1.11 -1.26 -4.07 116.67 124.66 2h3i s ASP 93 Ca 0.32 0.27 0.06 0.00 0.18 0.00 0.00 52.55 53.37 2h3i s ASP 93 Cb -0.13 -2.41 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 2h3i s ASP 93 CO 0.16 -0.83 0.45 0.68 1.18 0.00 0.00 175.17 176.81 2h3i s VAL 94 N 3.28 4.38 -0.48 -1.27 -7.23 -1.26 -5.03 120.40 112.80 2h3i s VAL 94 Ca 0.33 -0.96 0.18 0.00 -1.81 0.00 0.00 61.98 59.72 2h3i s VAL 94 Cb -0.12 -3.53 -0.24 0.00 0.56 0.00 0.00 36.38 33.05 2h3i s VAL 94 CO 0.20 -0.21 0.60 0.29 -0.31 0.00 0.00 175.10 175.66 2h3i n LYS 95 N -1.61 0.83 -3.21 4.82 5.02 -1.26 -4.84 118.16 117.92 2h3i n LYS 95 Ca -0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2h3i n LYS 95 Cb 0.58 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.75 0.00 0.00 4.39 5.68 -1.26 -4.23 116.55 119.38 2h3i n ASP 96 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 2h3i n ASP 96 Cb 0.37 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.66 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 -0.00 0.46 -0.02 2.12 -1.04 -1.20 -2.13 114.28 112.46 2h3i n THR 97 Ca 0.00 0.11 -0.02 0.00 -2.04 0.00 0.00 64.05 62.11 2h3i n THR 97 Cb 0.00 -0.93 -0.01 0.00 -1.82 0.00 0.00 70.33 67.58 2h3i n THR 97 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2h3i n LYS 98 N -1.18 0.15 0.33 -2.82 3.00 -1.26 -3.47 118.16 112.91 2h3i n LYS 98 Ca 0.07 0.25 0.20 0.00 -0.00 0.00 0.00 58.31 58.82 2h3i n LYS 98 Cb 0.07 -0.97 1.05 0.00 0.00 0.00 0.00 35.03 35.18 2h3i n LYS 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2h3i h GLU 99 N -0.32 0.00 0.02 1.64 4.57 -1.93 -1.77 114.58 116.78 2h3i h GLU 99 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2h3i h GLU 99 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2h3i h GLU 99 CO 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 179.01 177.67 2h3i h ALA 100 N 1.75 -0.01 -0.70 2.92 0.00 -1.63 -3.21 119.26 118.39 2h3i h ALA 100 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.45 2h3i h ALA 100 Cb 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2h3i h ALA 100 CO -0.00 0.05 0.42 1.25 0.00 0.00 0.00 179.25 180.98 2h3i h LEU 101 N -0.81 0.68 -0.77 0.00 7.12 -1.37 -2.18 115.31 117.98 2h3i h LEU 101 Ca -0.03 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.08 2h3i h LEU 101 Cb 1.07 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.99 2h3i h LEU 101 CO 0.03 0.46 0.43 -0.78 -0.13 0.00 0.00 178.44 178.45 2h3i h ASP 102 N 0.82 0.61 -0.69 1.25 3.58 -1.55 0.30 116.42 120.73 2h3i h ASP 102 Ca 0.29 0.04 0.20 0.00 0.42 0.00 0.00 57.03 57.98 2h3i h ASP 102 Cb 0.07 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2h3i h ASP 102 CO -0.13 0.36 0.55 0.50 -2.88 0.00 0.00 179.24 177.64 2h3i h LYS 103 N 0.74 0.00 0.05 0.28 1.63 -1.39 0.25 116.57 118.13 2h3i h LYS 103 Ca 0.37 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.78 2h3i h LYS 103 Cb 0.31 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 2h3i h LYS 103 CO -0.23 0.00 -2.30 -0.89 -3.45 0.00 0.00 179.45 172.58 2h3i n ILE 104 N -4.12 1.60 0.11 2.00 5.41 -0.04 -3.80 119.36 120.51 2h3i n ILE 104 Ca 0.14 -0.60 0.05 0.00 1.00 0.00 0.00 62.75 63.34 2h3i n ILE 104 Cb 0.81 -1.55 0.47 0.00 -0.71 0.00 0.00 39.64 38.66 2h3i n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2h3i h GLU 105 N 0.01 0.31 -0.05 0.38 4.22 0.40 -2.47 114.58 117.38 2h3i h GLU 105 Ca -0.52 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 58.84 2h3i h GLU 105 Cb 1.94 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2h3i h GLU 105 CO -0.03 0.27 -0.16 0.93 -2.18 0.00 0.00 179.01 177.83 2h3i h GLU 106 N 0.31 0.19 -0.19 1.92 4.39 -0.74 -0.96 114.58 119.50 2h3i h GLU 106 Ca 0.08 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2h3i h GLU 106 Cb 0.08 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2h3i h GLU 106 CO -0.01 0.78 0.20 1.49 -1.16 0.00 0.00 179.01 180.31 2h3i h GLU 107 N -0.35 0.00 -0.16 2.33 4.57 -1.58 0.21 114.58 119.59 2h3i h GLU 107 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2h3i h GLU 107 Cb 0.80 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 2h3i h GLU 107 CO 0.03 0.00 -0.11 1.04 -1.18 0.00 0.00 179.01 178.80 2h3i n GLN 108 N -3.88 1.93 -0.04 1.92 6.02 -0.96 -4.66 117.38 117.70 2h3i n GLN 108 Ca 0.02 -2.93 -0.16 0.00 -0.01 0.00 0.00 57.00 53.91 2h3i n GLN 108 Cb 0.33 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2h3i h ASN 109 N 0.92 0.96 0.42 1.08 -1.24 0.49 -3.06 115.58 115.15 2h3i h ASN 109 Ca 0.06 -0.59 -0.04 0.00 0.71 0.00 0.00 56.30 56.45 2h3i h ASN 109 Cb 1.29 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 2h3i h ASN 109 CO 0.16 1.39 -0.17 0.50 -1.29 0.00 0.00 177.43 178.02 2h3i h LYS 110 N 0.59 0.00 -0.92 6.67 3.64 -1.83 -2.19 116.57 122.53 2h3i h LYS 110 Ca -0.03 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 2h3i h LYS 110 Cb 1.32 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.95 2h3i h LYS 110 CO 0.15 0.17 0.41 0.45 -2.27 0.00 0.00 179.45 178.35 2h3i n SER 111 N -3.71 3.91 -0.06 4.20 2.88 -1.16 -4.05 113.62 115.63 2h3i n SER 111 Ca -0.02 -3.17 -0.06 0.00 -1.33 0.00 0.00 58.87 54.29 2h3i n SER 111 Cb 0.28 -0.75 -0.09 0.00 -0.75 0.00 0.00 64.21 62.91 2h3i n SER 111 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2h3i n LYS 112 N -0.52 2.06 -0.91 -1.46 3.00 -0.82 -4.49 118.16 115.02 2h3i n LYS 112 Ca 0.42 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.63 2h3i n LYS 112 Cb 1.35 -1.30 0.22 0.00 0.00 0.00 0.00 35.03 35.31 2h3i n LYS 112 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2h3i n LYS 113 N -2.44 2.91 -1.07 1.64 4.01 -1.26 -4.01 118.16 117.94 2h3i n LYS 113 Ca -0.19 -2.53 -0.00 0.00 -0.51 0.00 0.00 58.31 55.07 2h3i n LYS 113 Cb 0.88 -2.04 -0.01 0.00 -0.51 0.00 0.00 35.03 33.34 2h3i n LYS 113 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2h3i n LYS 114 N -0.31 0.00 -0.61 1.97 4.81 -1.26 -4.88 118.16 117.87 2h3i n LYS 114 Ca 0.39 -1.31 0.06 0.00 -0.87 0.00 0.00 58.31 56.58 2h3i n LYS 114 Cb 1.30 0.07 0.19 0.00 0.02 0.00 0.00 35.03 36.60 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2h3i n ALA 115 N 0.21 3.42 0.08 3.14 0.00 -1.26 -4.77 120.51 121.34 2h3i n ALA 115 Ca -0.06 -3.15 0.17 0.00 0.00 0.00 0.00 53.44 50.40 2h3i n ALA 115 Cb 0.87 -0.38 0.69 0.00 0.00 0.00 0.00 19.45 20.62 2h3i n ALA 115 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2h3i h GLN 116 N 0.89 0.00 -0.61 0.00 4.20 -1.90 -0.35 115.11 117.34 2h3i h GLN 116 Ca -0.02 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.87 2h3i h GLN 116 Cb 1.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 2h3i h GLN 116 CO 0.01 0.00 0.44 -0.56 -0.67 0.00 0.00 178.83 178.05 2h3i h GLN 117 N 0.00 0.01 -0.75 1.46 3.07 -2.02 0.12 115.11 117.00 2h3i h GLN 117 Ca 0.18 -0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.45 2h3i h GLN 117 Cb 0.73 -0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.03 2h3i h GLN 117 CO -0.00 0.01 0.24 0.00 0.09 0.00 0.00 178.83 179.16 2h3i n ALA 118 N -2.65 5.33 -2.03 0.06 0.00 -0.14 -4.38 120.51 116.69 2h3i n ALA 118 Ca 0.12 -3.30 -0.05 0.00 0.00 0.00 0.00 53.44 50.21 2h3i n ALA 118 Cb 0.68 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 2h3i n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 119 N -1.00 3.29 -0.06 0.00 0.00 0.40 -4.84 120.51 118.29 2h3i n ALA 119 Ca 0.50 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 2h3i n ALA 119 Cb 1.07 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 20.13 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 0.03 1.74 -0.05 0.00 0.00 -1.05 -4.61 120.51 116.56 2h3i n ALA 120 Ca -0.20 -0.80 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 2h3i n ALA 120 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.08 2h3i n ALA 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2h3i h ASP 121 N 0.00 -0.63 -3.66 0.00 1.82 -1.88 -3.42 116.42 108.65 2h3i h ASP 121 Ca -0.32 0.12 -0.51 0.00 -0.39 0.00 0.00 57.03 55.93 2h3i h ASP 121 Cb 1.70 0.31 0.21 0.00 0.68 0.00 0.00 39.33 42.24 2h3i h ASP 121 CO 0.02 -0.23 -0.24 0.35 -1.61 0.00 0.00 179.24 177.52 2h3i n THR 122 N -5.35 0.00 -3.05 2.25 -2.24 -1.26 -5.00 114.28 99.63 2h3i n THR 122 Ca -0.01 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 2h3i n THR 122 Cb 0.26 -0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 1.00 2.55 3.77 3.38 0.00 -1.26 -5.10 105.19 109.53 2h3i n GLY 123 Ca 0.08 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 2h3i n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h3i s ASN 124 N -1.92 6.89 -0.40 1.61 2.47 -1.26 -5.01 114.94 117.33 2h3i s ASN 124 Ca 0.34 1.06 0.11 0.00 0.42 0.00 0.00 52.86 54.80 2h3i s ASN 124 Cb 0.30 -2.33 0.35 0.00 -1.45 0.00 0.00 41.25 38.12 2h3i s ASN 124 CO -0.09 0.14 0.76 -3.20 -3.72 0.00 0.00 177.10 171.00 2h3i n ASN 125 N 2.63 1.39 -4.04 -4.21 2.85 -1.26 -5.07 115.26 107.55 2h3i n ASN 125 Ca -0.09 -3.11 -0.31 0.00 -0.11 0.00 0.00 54.58 50.96 2h3i n ASN 125 Cb 0.51 -0.61 -0.16 0.00 1.24 0.00 0.00 39.78 40.76 2h3i n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2h3i s SER 126 N -2.58 2.78 0.17 1.20 0.01 -1.26 -5.13 113.70 108.89 2h3i s SER 126 Ca 0.41 -0.52 0.10 0.00 1.31 0.00 0.00 55.95 57.25 2h3i s SER 126 Cb 0.34 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 2h3i s SER 126 CO -0.09 -0.04 -0.22 -1.58 0.41 0.00 0.00 173.24 171.71 2h3i s GLN 127 N 1.44 1.38 -0.02 12.44 -0.44 -1.26 -5.15 119.66 128.06 2h3i s GLN 127 Ca 0.05 -1.42 0.06 0.00 -2.50 0.00 0.00 55.36 51.55 2h3i s GLN 127 Cb -0.13 -1.65 -0.02 0.00 -1.64 0.00 0.00 33.01 29.58 2h3i s GLN 127 CO -0.11 0.36 -0.20 0.54 0.50 0.00 0.00 175.29 176.37 2h3i s VAL 128 N -1.63 1.61 -0.95 1.34 0.11 -1.26 -5.08 120.40 114.53 2h3i s VAL 128 Ca 0.17 -0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 58.18 2h3i s VAL 128 Cb -0.08 -1.33 0.16 0.00 -1.53 0.00 0.00 36.38 33.60 2h3i s VAL 128 CO 0.08 0.45 1.08 -0.94 -3.33 0.00 0.00 175.10 172.45 2h3i s SER 129 N -0.47 6.74 0.36 3.54 1.04 -1.26 -4.96 113.70 118.69 2h3i s SER 129 Ca 0.08 -2.36 -0.07 0.00 0.48 0.00 0.00 55.95 54.08 2h3i s SER 129 Cb -0.08 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.71 2h3i s SER 129 CO -0.01 -0.89 0.59 -1.10 0.98 0.00 0.00 173.24 172.81 2h3i s GLN 130 N 1.86 2.05 -0.37 4.02 -0.21 -1.26 -5.13 119.66 120.62 2h3i s GLN 130 Ca 0.31 -1.67 -0.26 0.00 0.02 0.00 0.00 55.36 53.76 2h3i s GLN 130 Cb -0.06 0.51 0.02 0.00 1.00 0.00 0.00 33.01 34.48 2h3i s GLN 130 CO -0.08 -0.89 0.91 1.21 -2.12 0.00 0.00 175.29 174.32 2h3i s ASN 131 N -3.19 6.66 0.00 5.90 2.47 -1.26 -5.31 114.94 120.21 2h3i s ASN 131 Ca 0.25 0.54 0.00 0.00 0.42 0.00 0.00 52.86 54.07 2h3i s ASN 131 Cb -0.02 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2h3i s ASN 131 CO 0.18 -0.86 0.00 0.00 -3.72 0.00 0.00 177.10 172.70