#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i h ALA 3 N 0.00 0.27 -2.47 4.61 0.00 -2.11 -3.47 119.26 116.09 2h3i h ALA 3 Ca 0.00 -1.22 -0.53 0.00 0.00 0.00 0.00 54.91 53.16 2h3i h ALA 3 Cb 0.00 0.50 0.17 0.00 0.00 0.00 0.00 17.79 18.46 2h3i h ALA 3 CO 0.00 1.14 0.31 1.03 0.00 0.00 0.00 179.25 181.73 2h3i s ARG 4 N -2.58 1.65 0.00 0.00 0.52 -1.26 -5.03 118.95 112.24 2h3i s ARG 4 Ca -0.16 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 2h3i s ARG 4 Cb 0.06 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2h3i s ARG 4 CO 0.83 -2.18 0.00 0.00 0.02 0.00 0.00 175.30 173.97 2h3i n ALA 5 N -3.49 0.00 -2.68 2.13 0.00 -1.26 -5.03 120.51 110.18 2h3i n ALA 5 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 2h3i n ALA 5 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.99 -5.40 -0.09 0.00 7.64 -1.26 -5.00 113.62 108.53 2h3i n SER 6 Ca 0.00 -0.39 -0.15 0.00 1.01 0.00 0.00 58.87 59.34 2h3i n SER 6 Cb 0.00 -3.81 -0.08 0.00 -1.01 0.00 0.00 64.21 59.31 2h3i n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2h3i h VAL 7 N -0.50 0.72 -4.05 0.44 2.07 -2.00 -3.47 116.25 109.46 2h3i h VAL 7 Ca -0.32 -1.82 -0.48 0.00 0.82 0.00 0.00 66.70 64.89 2h3i h VAL 7 Cb 1.16 1.65 0.04 0.00 -1.52 0.00 0.00 31.29 32.62 2h3i h VAL 7 CO 0.28 0.25 0.41 -1.48 0.02 0.00 0.00 177.57 177.04 2h3i s LEU 8 N -8.04 3.89 0.00 2.57 0.05 -1.26 -4.76 118.68 111.13 2h3i s LEU 8 Ca -0.22 2.02 0.00 0.00 0.05 0.00 0.00 54.13 55.98 2h3i s LEU 8 Cb 0.04 -4.47 0.00 0.00 -2.05 0.00 0.00 46.19 39.70 2h3i s LEU 8 CO 0.47 -0.82 0.00 -0.24 -0.55 0.00 0.00 176.35 175.21 2h3i n SER 9 N -0.83 0.00 -0.07 1.48 2.88 -1.26 -4.89 113.62 110.92 2h3i n SER 9 Ca 0.09 -0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.22 2h3i n SER 9 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3i h GLY 10 N 0.00 0.00 1.92 0.46 0.00 -1.99 -2.72 103.07 100.74 2h3i h GLY 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2h3i h GLY 10 CO 0.00 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.18 2h3i h GLY 11 N -1.00 0.11 1.11 4.60 0.00 -1.98 -2.40 103.07 103.50 2h3i h GLY 11 Ca -0.04 -0.05 -0.27 0.00 0.00 0.00 0.00 47.33 46.97 2h3i h GLY 11 CO -0.03 0.05 -1.11 -2.09 0.00 0.00 0.00 176.54 173.36 2h3i h GLU 12 N 0.10 0.56 0.45 4.80 4.81 -1.86 -2.91 114.58 120.54 2h3i h GLU 12 Ca 0.03 -0.75 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 2h3i h GLU 12 Cb 0.12 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2h3i h GLU 12 CO 0.00 1.33 -0.35 1.25 -0.73 0.00 0.00 179.01 180.51 2h3i h LEU 13 N 0.15 -0.93 0.44 1.64 5.85 -1.13 0.51 115.31 121.83 2h3i h LEU 13 Ca -0.17 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2h3i h LEU 13 Cb 1.81 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 43.12 2h3i h LEU 13 CO 0.21 -0.52 -0.40 0.44 -0.34 0.00 0.00 178.44 177.83 2h3i h ASP 14 N -0.79 -1.09 -0.88 1.25 3.32 -1.58 -1.88 116.42 114.77 2h3i h ASP 14 Ca -0.04 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.21 2h3i h ASP 14 Cb 0.68 0.36 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 2h3i h ASP 14 CO -0.01 -0.56 0.57 0.11 -1.72 0.00 0.00 179.24 177.63 2h3i h LYS 15 N -0.85 0.77 0.59 3.56 1.57 -1.46 0.11 116.57 120.86 2h3i h LYS 15 Ca -0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2h3i h LYS 15 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2h3i h LYS 15 CO -0.05 0.51 -0.42 2.35 -0.57 0.00 0.00 179.45 181.28 2h3i h TRP 16 N 0.80 -1.14 0.00 -1.35 2.91 0.60 -2.07 115.95 115.70 2h3i h TRP 16 Ca 0.42 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.44 2h3i h TRP 16 Cb 0.53 0.42 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 2h3i h TRP 16 CO -0.00 -0.60 0.00 0.93 -1.03 0.00 0.00 178.44 177.73 2h3i h GLU 17 N -0.97 0.00 0.00 2.65 5.08 -1.04 -3.25 114.58 117.05 2h3i h GLU 17 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2h3i h GLU 17 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2h3i h GLU 17 CO 0.04 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.22 2h3i n LYS 18 N -2.87 0.00 -1.36 2.33 3.00 0.35 -3.63 118.16 115.99 2h3i n LYS 18 Ca -0.00 0.48 -0.43 0.00 -0.00 0.00 0.00 58.31 58.36 2h3i n LYS 18 Cb 0.20 -1.39 -0.00 0.00 0.00 0.00 0.00 35.03 33.84 2h3i n LYS 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2h3i n ILE 19 N -1.95 1.15 -1.58 3.15 5.41 -0.91 -4.69 119.36 119.94 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 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 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 1.09 0.27 -0.07 0.38 1.74 -1.26 -2.50 116.66 116.30 2h3i n ARG 20 Ca 0.12 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 2h3i n ARG 20 Cb 0.37 -0.02 -0.05 0.00 -1.02 0.00 0.00 32.46 31.75 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 1.13 -4.85 0.55 4.77 0.11 -3.76 117.00 114.95 2h3i n LEU 21 Ca 0.00 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 2h3i n LEU 21 Cb 0.01 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2h3i n LEU 21 CO 0.01 0.32 -0.06 -0.13 -1.33 0.00 0.00 177.39 176.20 2h3i s ARG 22 N -2.25 2.60 -0.02 3.23 0.52 -1.26 -3.31 118.95 118.46 2h3i s ARG 22 Ca -0.19 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.35 2h3i s ARG 22 Cb 0.07 -2.40 -0.17 0.00 0.52 0.00 0.00 34.95 32.97 2h3i s ARG 22 CO 0.25 -0.04 1.13 -1.00 0.02 0.00 0.00 175.30 175.66 2h3i h PRO 23 N 1.18 -0.20 -1.98 3.54 0.13 -1.96 -3.35 132.00 129.35 2h3i h PRO 23 Ca -0.43 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.03 2h3i h PRO 23 Cb 1.26 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 32.08 2h3i h PRO 23 CO 0.58 0.20 0.09 0.41 -0.23 0.00 0.00 178.00 179.05 2h3i n GLY 24 N 0.15 5.82 0.00 1.56 0.00 -1.26 -4.96 105.19 106.50 2h3i n GLY 24 Ca -0.09 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.35 5.50 0.07 -0.02 0.00 -1.26 -5.07 105.19 104.06 2h3i n GLY 25 Ca 0.42 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 0.60 -3.07 1.61 0.00 -1.26 -4.96 118.16 111.07 2h3i n LYS 26 Ca 0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 58.31 57.10 2h3i n LYS 26 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 35.03 34.34 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 -0.29 4.43 0.40 1.64 1.02 -1.26 -4.99 119.74 120.69 2h3i s LYS 27 Ca 0.01 1.02 0.01 0.00 0.02 0.00 0.00 55.97 57.03 2h3i s LYS 27 Cb 0.01 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2h3i s LYS 27 CO 0.00 0.56 0.08 1.04 -0.92 0.00 0.00 175.35 176.11 2h3i n GLN 28 N 1.50 1.00 -3.31 1.68 3.00 -1.26 0.05 117.38 120.04 2h3i n GLN 28 Ca -0.06 -2.81 -0.30 0.00 -0.01 0.00 0.00 57.00 53.81 2h3i n GLN 28 Cb 0.49 0.64 -0.04 0.00 0.00 0.00 0.00 30.24 31.34 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 -2.34 3.45 0.25 1.08 2.02 -1.04 -4.65 117.35 116.12 2h3i s TYR 29 Ca 0.06 0.80 -0.09 0.00 -0.37 0.00 0.00 57.07 57.47 2h3i s TYR 29 Cb -0.00 -2.22 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 2h3i s TYR 29 CO 0.04 0.18 0.40 0.21 -1.57 0.00 0.00 175.55 174.81 2h3i s LYS 30 N -3.25 1.50 0.24 -0.62 2.20 -1.26 -4.08 119.74 114.47 2h3i s LYS 30 Ca 0.46 -1.39 -0.08 0.00 -0.36 0.00 0.00 55.97 54.61 2h3i s LYS 30 Cb -0.11 0.42 0.41 0.00 -1.51 0.00 0.00 37.83 37.04 2h3i s LYS 30 CO 0.26 -0.60 1.63 -0.07 -0.36 0.00 0.00 175.35 176.21 2h3i h LEU 31 N 2.33 -0.45 -0.77 5.43 3.38 -2.00 -0.54 115.31 122.69 2h3i h LEU 31 Ca -0.29 0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.04 2h3i h LEU 31 Cb 1.25 0.38 -0.14 0.00 0.09 0.00 0.00 40.66 42.24 2h3i h LEU 31 CO 0.40 -0.20 -0.21 0.29 0.09 0.00 0.00 178.44 178.81 2h3i n LYS 32 N -5.39 -0.08 -0.21 1.13 5.02 -1.26 0.18 118.16 117.54 2h3i n LYS 32 Ca 0.13 1.19 -0.09 0.00 -2.02 0.00 0.00 58.31 57.52 2h3i n LYS 32 Cb 0.45 -1.78 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2h3i h HIS 33 N 0.00 1.15 0.97 2.13 3.86 -1.51 -1.94 115.15 119.80 2h3i h HIS 33 Ca 0.35 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2h3i h HIS 33 Cb 0.55 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.72 2h3i h HIS 33 CO -0.60 1.00 -0.48 0.82 0.86 0.00 0.00 177.93 179.54 2h3i h ILE 34 N 0.96 0.03 -0.49 2.45 2.04 0.20 -2.31 117.51 120.39 2h3i h ILE 34 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 2h3i h ILE 34 Cb 0.53 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 2h3i h ILE 34 CO 0.03 0.00 0.03 0.58 0.00 0.00 0.00 178.15 178.79 2h3i h VAL 35 N -1.31 0.65 -0.17 1.67 2.07 -1.21 0.29 116.25 118.24 2h3i h VAL 35 Ca -0.13 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2h3i h VAL 35 Cb 1.01 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2h3i h VAL 35 CO 0.21 0.03 0.25 -0.25 0.02 0.00 0.00 177.57 177.83 2h3i h TRP 36 N 0.15 0.00 0.00 1.57 7.01 -1.26 0.16 115.95 123.58 2h3i h TRP 36 Ca 0.25 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 61.07 2h3i h TRP 36 Cb 0.36 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 2h3i h TRP 36 CO -0.28 0.00 -1.04 0.00 -2.79 0.00 0.00 178.44 174.33 2h3i h ALA 37 N 1.66 0.20 -0.40 2.65 0.00 0.02 -3.33 119.26 120.06 2h3i h ALA 37 Ca 0.08 -1.03 0.04 0.00 0.00 0.00 0.00 54.91 54.00 2h3i h ALA 37 Cb 0.57 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2h3i h ALA 37 CO -0.00 0.62 0.27 0.77 0.00 0.00 0.00 179.25 180.91 2h3i h SER 38 N -1.00 0.33 0.49 0.00 0.02 -0.32 0.20 113.55 113.27 2h3i h SER 38 Ca -0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2h3i h SER 38 Cb 1.12 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2h3i h SER 38 CO -0.16 0.23 0.00 -1.14 -1.14 0.00 0.00 176.83 174.62 2h3i n ARG 39 N -4.48 0.24 -0.14 3.45 3.00 0.53 -3.27 116.66 115.98 2h3i n ARG 39 Ca 0.04 0.09 -0.25 0.00 -0.00 0.00 0.00 57.85 57.74 2h3i n ARG 39 Cb 0.18 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.03 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2h3i n GLU 40 N -1.34 0.61 -0.25 -0.14 4.07 0.62 -4.46 120.64 119.76 2h3i n GLU 40 Ca 0.09 0.21 0.04 0.00 -0.06 0.00 0.00 57.16 57.44 2h3i n GLU 40 Cb 0.19 -1.50 0.16 0.00 -0.06 0.00 0.00 31.44 30.24 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 -0.57 0.32 -1.53 4.31 3.38 -1.36 0.80 115.31 120.67 2h3i h LEU 41 Ca -0.65 0.09 0.23 0.00 0.09 0.00 0.00 57.88 57.64 2h3i h LEU 41 Cb 1.74 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.47 2h3i h LEU 41 CO -0.28 0.15 0.64 -0.33 0.09 0.00 0.00 178.44 178.70 2h3i h GLU 42 N 0.48 0.34 0.00 1.13 5.08 -1.44 0.55 114.58 120.73 2h3i h GLU 42 Ca 0.38 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2h3i h GLU 42 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2h3i h GLU 42 CO -0.36 0.23 -0.63 -0.09 -1.00 0.00 0.00 179.01 177.16 2h3i h ARG 43 N 0.35 0.00 -0.93 2.33 2.43 -1.10 -3.28 114.38 114.18 2h3i h ARG 43 Ca 0.51 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.50 2h3i h ARG 43 Cb 1.37 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.81 2h3i h ARG 43 CO -0.19 0.16 0.23 1.19 -1.51 0.00 0.00 179.97 179.84 2h3i n PHE 44 N -2.97 1.41 -1.46 2.20 3.72 0.17 -4.83 117.46 115.70 2h3i n PHE 44 Ca 0.00 -0.92 -0.16 0.00 -0.05 0.00 0.00 57.45 56.32 2h3i n PHE 44 Cb 0.63 -0.51 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.12 -0.25 -3.15 4.37 0.00 -1.07 -4.94 120.51 115.35 2h3i n ALA 45 Ca 0.25 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 2h3i n ALA 45 Cb 0.98 -1.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.37 3.07 0.25 0.00 1.01 -0.06 -5.02 120.40 117.27 2h3i s VAL 46 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2h3i s VAL 46 Cb 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 2h3i s VAL 46 CO 0.00 0.52 1.26 0.20 0.00 0.00 0.00 175.10 177.07 2h3i s ASN 47 N 0.48 6.95 0.00 3.32 -0.87 -1.26 -2.27 114.94 121.29 2h3i s ASN 47 Ca -0.09 2.44 0.15 0.00 -1.57 0.00 0.00 52.86 53.79 2h3i s ASN 47 Cb -0.16 -2.62 0.84 0.00 -0.02 0.00 0.00 41.25 39.29 2h3i s ASN 47 CO 0.04 -0.44 1.37 -0.81 -2.57 0.00 0.00 177.10 174.69 2h3i n PRO 48 N 1.85 0.35 0.00 -0.60 -0.04 -1.26 -2.45 135.00 132.85 2h3i n PRO 48 Ca 0.03 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 2h3i n PRO 48 Cb 0.43 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.22 1.34 0.55 0.00 -1.26 -3.54 105.19 101.02 2h3i n GLY 49 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.28 3.86 -0.00 0.99 4.77 -1.03 -3.65 117.00 120.66 2h3i n LEU 50 Ca 0.10 -1.98 0.05 0.00 -0.03 0.00 0.00 56.01 54.16 2h3i n LEU 50 Cb 0.30 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 2h3i n LEU 50 CO 0.27 0.53 -0.35 0.18 -1.33 0.00 0.00 177.39 176.69 2h3i n LEU 51 N 0.16 0.23 0.07 2.23 4.77 -1.23 -2.46 117.00 120.77 2h3i n LEU 51 Ca 0.19 -0.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 2h3i n LEU 51 Cb 0.84 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.89 2h3i n LEU 51 CO 0.21 0.06 -0.01 1.05 -1.33 0.00 0.00 177.39 177.37 2h3i h GLU 52 N 0.00 0.00 -5.30 3.23 4.11 -1.82 -3.45 114.58 111.35 2h3i h GLU 52 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 2h3i h GLU 52 Cb 0.37 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.40 2h3i h GLU 52 CO 0.00 0.34 -0.67 0.95 0.07 0.00 0.00 179.01 179.70 2h3i s THR 53 N -2.97 3.87 0.53 -1.06 -4.23 -1.26 -4.89 115.64 105.63 2h3i s THR 53 Ca -0.00 -0.37 0.28 0.00 -1.18 0.00 0.00 61.69 60.42 2h3i s THR 53 Cb 0.08 -2.69 0.44 0.00 1.34 0.00 0.00 72.50 71.67 2h3i s THR 53 CO 0.79 0.49 1.94 0.28 -0.54 0.00 0.00 174.62 177.59 2h3i h SER 54 N 6.71 0.00 -0.08 3.99 0.02 -1.90 0.24 113.55 122.55 2h3i h SER 54 Ca -0.31 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 2h3i h SER 54 Cb 1.19 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2h3i h SER 54 CO 0.63 0.00 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.12 2h3i h GLU 55 N 0.00 0.40 0.14 3.45 4.81 -1.94 -2.71 114.58 118.74 2h3i h GLU 55 Ca 0.34 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2h3i h GLU 55 Cb 1.34 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2h3i h GLU 55 CO -0.00 0.52 -0.07 0.78 -0.73 0.00 0.00 179.01 179.51 2h3i h GLY 56 N 0.86 -0.20 0.84 1.92 0.00 -0.65 -3.12 103.07 102.71 2h3i h GLY 56 Ca 0.07 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.50 2h3i h GLY 56 CO 0.03 -0.07 0.23 0.00 0.00 0.00 0.00 176.54 176.72 2h3i h ARG 58 N 0.47 0.04 0.03 0.00 2.43 -1.42 0.54 114.38 116.46 2h3i h ARG 58 Ca 0.18 -0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.00 2h3i h ARG 58 Cb 0.05 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2h3i h ARG 58 CO -0.11 0.03 -2.11 0.94 -1.51 0.00 0.00 179.97 177.21 2h3i n GLN 59 N -4.20 0.68 0.20 0.20 7.27 -0.63 -3.64 117.38 117.26 2h3i n GLN 59 Ca 0.31 0.18 0.05 0.00 0.07 0.00 0.00 57.00 57.61 2h3i n GLN 59 Cb 1.42 -1.65 0.43 0.00 2.41 0.00 0.00 30.24 32.84 2h3i n GLN 59 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2h3i h ILE 60 N 0.02 1.08 0.00 1.69 2.04 0.16 -2.50 117.51 119.99 2h3i h ILE 60 Ca -0.44 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 2h3i h ILE 60 Cb 2.06 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 2h3i h ILE 60 CO 0.04 0.31 -0.64 -0.07 0.00 0.00 0.00 178.15 177.79 2h3i h LEU 61 N 0.00 0.00 -0.75 1.44 3.38 -0.32 -3.27 115.31 115.79 2h3i h LEU 61 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2h3i h LEU 61 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2h3i h LEU 61 CO 0.04 0.23 -0.58 1.23 0.09 0.00 0.00 178.44 179.45 2h3i h GLY 62 N 3.82 0.00 0.16 0.83 0.00 -1.52 -0.20 103.07 106.16 2h3i h GLY 62 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2h3i h GLY 62 CO 0.02 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 178.02 2h3i h GLN 63 N 0.00 -0.03 0.00 4.80 1.08 -1.61 -3.30 115.11 116.05 2h3i h GLN 63 Ca -0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2h3i h GLN 63 Cb 1.09 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2h3i h GLN 63 CO 0.08 0.72 -0.26 -0.07 -0.95 0.00 0.00 178.83 178.34 2h3i h LEU 64 N -0.87 0.00 -0.08 1.46 3.38 -1.63 -3.28 115.31 114.29 2h3i h LEU 64 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2h3i h LEU 64 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2h3i h LEU 64 CO 0.00 0.26 -0.41 -0.61 0.09 0.00 0.00 178.44 177.77 2h3i h GLN 65 N 0.00 -0.45 0.00 1.13 4.15 -1.10 0.25 115.11 119.09 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2h3i h GLN 65 Cb 0.76 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2h3i h GLN 65 CO 0.03 -0.30 0.00 -0.35 -1.93 0.00 0.00 178.83 176.29 2h3i n PRO 66 N -4.75 0.38 -0.00 -2.39 -0.04 -1.24 -1.88 135.00 125.08 2h3i n PRO 66 Ca -0.05 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 2h3i n PRO 66 Cb 0.29 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.11 0.84 0.30 3.54 7.64 0.35 -4.38 113.62 120.80 2h3i n SER 67 Ca 0.10 -0.72 0.13 0.00 1.01 0.00 0.00 58.87 59.39 2h3i n SER 67 Cb 0.08 1.18 0.69 0.00 -1.01 0.00 0.00 64.21 65.14 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 0.00 -3.43 3.38 0.09 0.75 115.31 116.10 2h3i h LEU 68 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2h3i h LEU 68 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2h3i h LEU 68 CO 0.00 0.00 -2.25 1.67 0.09 0.00 0.00 178.44 177.95 2h3i n GLN 69 N -2.70 0.54 0.17 1.13 -0.06 -1.26 -4.42 117.38 110.78 2h3i n GLN 69 Ca -0.02 0.14 0.14 0.00 -2.00 0.00 0.00 57.00 55.26 2h3i n GLN 69 Cb 0.39 -1.43 0.49 0.00 -4.06 0.00 0.00 30.24 25.63 2h3i n GLN 69 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2h3i h THR 70 N -0.09 0.00 -1.60 1.69 2.02 -1.41 -3.45 112.91 110.07 2h3i h THR 70 Ca -0.50 -0.45 -0.46 0.00 0.77 0.00 0.00 66.41 65.77 2h3i h THR 70 Cb 1.73 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 2h3i h THR 70 CO -0.11 0.00 -0.35 -0.83 0.37 0.00 0.00 175.52 174.61 2h3i s GLY 71 N -3.80 1.93 0.00 2.16 0.00 0.25 -5.09 107.32 102.77 2h3i s GLY 71 Ca 0.05 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.06 2h3i s GLY 71 CO 0.51 -1.56 0.00 -1.14 0.00 0.00 0.00 173.10 170.91 2h3i n SER 72 N -1.63 0.00 0.31 1.64 3.41 -1.26 -4.86 113.62 111.23 2h3i n SER 72 Ca 0.03 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.85 2h3i n SER 72 Cb 0.60 0.00 1.03 0.00 -0.26 0.00 0.00 64.21 65.58 2h3i n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h3i h GLU 73 N 0.00 0.00 -0.43 4.33 4.57 -2.00 -2.04 114.58 119.02 2h3i h GLU 73 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2h3i h GLU 73 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2h3i h GLU 73 CO 0.00 0.00 -0.20 0.93 -1.18 0.00 0.00 179.01 178.56 2h3i h GLU 74 N 0.00 0.85 0.00 1.92 3.07 -2.01 -2.35 114.58 116.06 2h3i h GLU 74 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2h3i h GLU 74 Cb 0.14 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2h3i h GLU 74 CO 0.00 0.97 0.00 1.25 -1.40 0.00 0.00 179.01 179.83 2h3i h LEU 75 N 0.74 0.00 0.00 1.33 6.46 -1.70 -3.09 115.31 119.05 2h3i h LEU 75 Ca 0.10 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 2h3i h LEU 75 Cb 0.73 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 2h3i h LEU 75 CO 0.06 0.00 -0.94 0.03 -0.62 0.00 0.00 178.44 176.97 2h3i h ARG 76 N 0.00 0.00 -0.01 1.25 3.08 -1.40 -2.92 114.38 114.39 2h3i h ARG 76 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2h3i h ARG 76 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2h3i h ARG 76 CO 0.00 0.88 -0.66 0.77 -1.07 0.00 0.00 179.97 179.90 2h3i h SER 77 N 0.00 0.03 0.10 7.04 0.02 -1.35 -2.81 113.55 116.58 2h3i h SER 77 Ca -0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2h3i h SER 77 Cb 1.71 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2h3i h SER 77 CO 0.12 0.68 -0.05 0.25 -1.14 0.00 0.00 176.83 176.68 2h3i h LEU 78 N 0.02 -0.12 -0.87 5.07 5.85 -1.59 -3.13 115.31 120.53 2h3i h LEU 78 Ca -0.01 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.94 2h3i h LEU 78 Cb 1.16 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.09 2h3i h LEU 78 CO 0.09 0.27 0.26 0.22 -0.34 0.00 0.00 178.44 178.94 2h3i h TYR 79 N -0.85 0.41 0.00 1.25 3.20 -1.63 0.22 116.97 119.56 2h3i h TYR 79 Ca -0.01 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2h3i h TYR 79 Cb 0.11 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2h3i h TYR 79 CO 0.01 -0.17 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.44 2h3i h ASN 80 N 0.25 -0.00 -0.04 -2.11 4.21 -1.62 -0.25 115.58 116.01 2h3i h ASN 80 Ca 0.54 0.00 0.04 0.00 1.21 0.00 0.00 56.30 58.09 2h3i h ASN 80 Cb 1.08 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.22 2h3i h ASN 80 CO -0.62 -0.00 -0.37 0.74 -1.29 0.00 0.00 177.43 175.89 2h3i h THR 81 N -0.00 0.22 -1.01 2.81 2.02 -1.38 -0.99 112.91 114.58 2h3i h THR 81 Ca -0.00 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.49 2h3i h THR 81 Cb 0.00 0.22 -0.14 0.00 -1.74 0.00 0.00 68.15 66.49 2h3i h THR 81 CO -0.00 0.00 0.58 0.40 0.37 0.00 0.00 175.52 176.87 2h3i h ILE 82 N -0.50 0.34 -0.54 3.11 2.04 -0.60 0.36 117.51 121.72 2h3i h ILE 82 Ca 0.06 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2h3i h ILE 82 Cb 0.60 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2h3i h ILE 82 CO -0.32 0.07 0.36 0.00 0.00 0.00 0.00 178.15 178.25 2h3i h ALA 83 N 1.83 0.69 -0.98 1.87 0.00 0.35 -2.39 119.26 120.62 2h3i h ALA 83 Ca 0.72 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.78 2h3i h ALA 83 Cb 1.61 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 2h3i h ALA 83 CO -0.58 0.12 0.58 0.28 0.00 0.00 0.00 179.25 179.66 2h3i h VAL 84 N 0.73 0.71 0.16 0.00 2.07 0.00 -1.56 116.25 118.35 2h3i h VAL 84 Ca 0.20 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2h3i h VAL 84 Cb -0.07 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.59 2h3i h VAL 84 CO -0.05 0.14 -0.08 0.25 0.02 0.00 0.00 177.57 177.85 2h3i h LEU 85 N 0.74 -0.18 -0.49 2.57 5.85 -1.31 -1.55 115.31 120.95 2h3i h LEU 85 Ca 0.56 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 59.26 2h3i h LEU 85 Cb 0.87 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 2h3i h LEU 85 CO -0.38 0.01 -0.28 0.22 -0.34 0.00 0.00 178.44 177.67 2h3i h TYR 86 N -0.37 -0.76 -0.10 1.25 3.20 -1.11 0.32 116.97 119.41 2h3i h TYR 86 Ca -0.02 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2h3i h TYR 86 Cb 0.29 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2h3i h TYR 86 CO -0.02 -0.35 -0.07 0.00 -1.64 0.00 0.00 178.16 176.08 2h3i h VAL 88 N 0.14 1.33 0.07 0.00 2.07 0.58 0.67 116.25 121.10 2h3i h VAL 88 Ca 0.03 -1.60 -0.25 0.00 0.82 0.00 0.00 66.70 65.70 2h3i h VAL 88 Cb 0.23 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2h3i h VAL 88 CO 0.01 0.47 -1.17 0.45 0.02 0.00 0.00 177.57 177.36 2h3i h HIS 89 N 0.15 0.28 -0.15 1.57 -0.00 -0.11 -3.23 115.15 113.65 2h3i h HIS 89 Ca 0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 2h3i h HIS 89 Cb 0.86 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 2h3i h HIS 89 CO 0.01 1.16 0.00 1.04 -0.00 0.00 0.00 177.93 180.15 2h3i n GLN 90 N -3.44 2.00 -2.08 2.45 1.13 -0.76 -4.83 117.38 111.85 2h3i n GLN 90 Ca -0.06 -0.81 -0.19 0.00 -1.94 0.00 0.00 57.00 54.00 2h3i n GLN 90 Cb 0.99 -1.68 -0.04 0.00 0.11 0.00 0.00 30.24 29.62 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 0.16 -1.48 -3.27 -1.09 0.63 -1.19 -4.95 116.66 105.46 2h3i n ARG 91 Ca 0.07 1.03 -0.41 0.00 -0.92 0.00 0.00 57.85 57.63 2h3i n ARG 91 Cb 0.49 -5.52 -0.08 0.00 0.45 0.00 0.00 32.46 27.79 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 -2.88 5.06 -0.28 5.15 1.01 0.23 -5.02 121.20 124.47 2h3i s ILE 92 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 2h3i s ILE 92 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2h3i s ILE 92 CO 0.00 -0.07 0.23 -1.81 0.00 0.00 0.00 174.94 173.29 2h3i s ASP 93 N 1.69 6.07 0.40 3.58 1.01 -1.26 -3.96 116.67 124.20 2h3i s ASP 93 Ca 0.18 0.03 0.08 0.00 0.71 0.00 0.00 52.55 53.55 2h3i s ASP 93 Cb -0.16 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 2h3i s ASP 93 CO 0.12 -0.09 0.44 0.68 0.21 0.00 0.00 175.17 176.53 2h3i s VAL 94 N 1.82 2.99 -1.19 -1.27 -7.23 -1.26 -5.03 120.40 109.23 2h3i s VAL 94 Ca 0.09 -1.20 0.23 0.00 -1.81 0.00 0.00 61.98 59.29 2h3i s VAL 94 Cb -0.16 -3.05 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 2h3i s VAL 94 CO 0.11 -0.03 1.19 1.17 -0.31 0.00 0.00 175.10 177.23 2h3i n LYS 95 N -1.64 0.22 -3.18 4.82 3.00 -1.26 -4.79 118.16 115.32 2h3i n LYS 95 Ca 0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2h3i n LYS 95 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.14 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2h3i n ASP 96 N -1.25 0.00 0.00 3.14 5.68 -1.26 -4.55 116.55 118.31 2h3i n ASP 96 Ca 0.06 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.41 2h3i n ASP 96 Cb 0.35 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.97 -0.06 2.12 -1.04 -1.21 -2.52 114.28 112.57 2h3i n THR 97 Ca 0.00 0.24 -0.04 0.00 -2.04 0.00 0.00 64.05 62.22 2h3i n THR 97 Cb 0.00 -1.03 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 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 -2.96 116.57 112.52 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 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2h3i h LYS 98 CO 0.00 0.07 0.00 0.39 -2.27 0.00 0.00 179.45 177.64 2h3i n GLU 99 N -4.68 0.16 -0.03 1.90 1.02 -1.20 -1.03 120.64 116.79 2h3i n GLU 99 Ca -0.05 0.60 -0.21 0.00 -0.02 0.00 0.00 57.16 57.48 2h3i n GLU 99 Cb 0.18 -1.96 -0.13 0.00 -0.02 0.00 0.00 31.44 29.51 2h3i n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h3i h ALA 100 N 2.05 0.20 -0.05 0.62 0.00 -1.62 -2.75 119.26 117.70 2h3i h ALA 100 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 54.91 53.70 2h3i h ALA 100 Cb 0.08 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2h3i h ALA 100 CO 0.00 0.73 -0.58 1.25 0.00 0.00 0.00 179.25 180.66 2h3i h LEU 101 N -0.54 0.19 0.03 0.00 7.12 -1.25 -3.15 115.31 117.72 2h3i h LEU 101 Ca -0.29 -0.11 -0.21 0.00 0.13 0.00 0.00 57.88 57.41 2h3i h LEU 101 Cb 1.57 -0.06 0.02 0.00 -0.53 0.00 0.00 40.66 41.67 2h3i h LEU 101 CO -0.02 0.73 -0.83 0.44 -0.13 0.00 0.00 178.44 178.63 2h3i h ASP 102 N 0.13 0.67 -0.20 1.25 3.32 -1.24 -1.00 116.42 119.36 2h3i h ASP 102 Ca -0.00 -0.79 0.06 0.00 0.02 0.00 0.00 57.03 56.32 2h3i h ASP 102 Cb 1.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2h3i h ASP 102 CO 0.09 1.38 0.27 0.11 -1.72 0.00 0.00 179.24 179.36 2h3i h LYS 103 N 0.04 0.00 0.03 3.56 1.79 -1.48 0.69 116.57 121.20 2h3i h LYS 103 Ca -0.11 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.97 2h3i h LYS 103 Cb 1.53 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.13 2h3i h LYS 103 CO 0.16 0.00 -2.31 -0.89 -1.08 0.00 0.00 179.45 175.33 2h3i n ILE 104 N -3.58 1.57 0.21 1.86 5.41 -1.19 -3.79 119.36 119.85 2h3i n ILE 104 Ca 0.02 -0.53 0.07 0.00 1.00 0.00 0.00 62.75 63.30 2h3i n ILE 104 Cb 0.39 -1.60 0.57 0.00 -0.71 0.00 0.00 39.64 38.29 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 -0.19 0.08 -0.02 0.38 4.81 -0.53 -2.07 114.58 117.05 2h3i h GLU 105 Ca -0.55 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 2h3i h GLU 105 Cb 1.86 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.22 2h3i h GLU 105 CO -0.10 0.10 -0.19 1.49 -0.73 0.00 0.00 179.01 179.57 2h3i h GLU 106 N 0.08 0.16 -0.08 1.92 4.81 -1.07 -0.79 114.58 119.61 2h3i h GLU 106 Ca 0.02 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2h3i h GLU 106 Cb 0.08 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2h3i h GLU 106 CO 0.00 0.85 0.07 0.93 -0.73 0.00 0.00 179.01 180.13 2h3i h GLU 107 N -0.47 0.00 -0.21 1.92 3.07 -1.58 -1.00 114.58 116.31 2h3i h GLU 107 Ca -0.02 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 2h3i h GLU 107 Cb 0.90 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.77 2h3i h GLU 107 CO 0.04 0.00 -0.11 1.04 -1.40 0.00 0.00 179.01 178.58 2h3i n GLN 108 N -4.14 1.97 0.02 2.33 1.13 -0.81 -4.65 117.38 113.24 2h3i n GLN 108 Ca -0.01 -3.01 -0.09 0.00 -1.94 0.00 0.00 57.00 51.95 2h3i n GLN 108 Cb 0.18 -1.74 0.06 0.00 0.11 0.00 0.00 30.24 28.85 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 1.02 0.56 0.37 1.08 -0.73 0.28 -2.94 115.58 115.23 2h3i h ASN 109 Ca 0.09 -0.31 -0.03 0.00 1.87 0.00 0.00 56.30 57.92 2h3i h ASN 109 Cb 1.39 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 39.81 2h3i h ASN 109 CO 0.22 1.02 -0.15 0.11 -0.37 0.00 0.00 177.43 178.26 2h3i h LYS 110 N 0.38 0.00 -1.00 6.67 1.79 -1.83 -2.14 116.57 120.44 2h3i h LYS 110 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2h3i h LYS 110 Cb 1.12 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.48 2h3i h LYS 110 CO 0.11 0.15 0.63 0.43 -1.08 0.00 0.00 179.45 179.68 2h3i n SER 111 N -3.73 3.83 -0.01 0.86 7.64 -1.11 -4.13 113.62 116.96 2h3i n SER 111 Ca -0.02 -3.53 -0.01 0.00 1.01 0.00 0.00 58.87 56.32 2h3i n SER 111 Cb 0.26 -0.83 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 2h3i n SER 111 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2h3i n LYS 112 N -1.05 0.04 0.15 1.43 0.00 -0.80 -4.60 118.16 113.33 2h3i n LYS 112 Ca 0.57 0.01 0.03 0.00 0.00 0.00 0.00 58.31 58.91 2h3i n LYS 112 Cb 1.58 -0.95 0.13 0.00 0.00 0.00 0.00 35.03 35.79 2h3i n LYS 112 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2h3i h LYS 113 N -0.01 0.00 -0.99 1.64 2.10 -1.73 -3.15 116.57 114.43 2h3i h LYS 113 Ca -0.04 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.15 2h3i h LYS 113 Cb 1.06 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.12 2h3i h LYS 113 CO -0.01 0.51 0.58 1.63 -2.00 0.00 0.00 179.45 180.16 2h3i n LYS 114 N -3.36 2.21 -2.25 0.07 4.76 -1.26 -4.17 118.16 114.15 2h3i n LYS 114 Ca 0.01 -2.72 -0.02 0.00 -2.87 0.00 0.00 58.31 52.71 2h3i n LYS 114 Cb 0.67 -2.07 0.05 0.00 -1.84 0.00 0.00 35.03 31.84 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h3i n ALA 115 N -0.94 2.90 -2.38 7.82 0.00 -1.19 -4.94 120.51 121.77 2h3i n ALA 115 Ca 0.53 -1.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.12 2h3i n ALA 115 Cb 1.55 -0.74 0.02 0.00 0.00 0.00 0.00 19.45 20.28 2h3i n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n GLN 116 N -0.71 3.05 0.02 0.00 -0.00 -1.26 -4.76 117.38 113.72 2h3i n GLN 116 Ca -0.09 -4.15 -0.06 0.00 -0.00 0.00 0.00 57.00 52.70 2h3i n GLN 116 Cb 0.86 -2.07 -0.12 0.00 -0.00 0.00 0.00 30.24 28.91 2h3i n GLN 116 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2h3i h GLN 117 N 2.50 0.00 0.00 2.61 4.15 -1.92 -3.32 115.11 119.13 2h3i h GLN 117 Ca 0.23 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.56 2h3i h GLN 117 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2h3i h GLN 117 CO 0.71 0.62 -0.45 0.00 -1.93 0.00 0.00 178.83 177.78 2h3i h ALA 118 N 1.08 0.99 -0.99 3.38 0.00 -1.99 -3.10 119.26 118.62 2h3i h ALA 118 Ca -0.17 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.67 2h3i h ALA 118 Cb 1.86 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 19.28 2h3i h ALA 118 CO 0.09 0.57 0.85 0.00 0.00 0.00 0.00 179.25 180.75 2h3i n ALA 119 N -2.33 6.24 -0.04 0.00 0.00 -1.25 -4.31 120.51 118.82 2h3i n ALA 119 Ca -0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 53.44 49.99 2h3i n ALA 119 Cb 0.54 -1.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.93 1.84 -1.53 0.00 0.00 -1.17 -4.79 120.51 113.92 2h3i n ALA 120 Ca 0.62 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 2h3i n ALA 120 Cb 0.79 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.53 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3i n ASP 121 N -2.76 3.88 -4.72 0.00 9.92 -1.26 -4.91 116.55 116.69 2h3i n ASP 121 Ca -0.15 -2.77 -0.34 0.00 -0.53 0.00 0.00 54.79 51.01 2h3i n ASP 121 Cb 0.66 -1.50 -0.08 0.00 -0.64 0.00 0.00 41.12 39.55 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2h3i s THR 122 N 3.59 4.45 -0.33 -3.53 -4.23 -1.26 -5.09 115.64 109.24 2h3i s THR 122 Ca 0.51 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 2h3i s THR 122 Cb 0.14 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 71.17 2h3i s THR 122 CO -0.04 0.45 0.38 -0.83 -0.54 0.00 0.00 174.62 174.04 2h3i s GLY 123 N -1.38 -0.30 -0.10 3.99 0.00 -1.26 -5.13 107.32 103.13 2h3i s GLY 123 Ca 0.18 -0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.47 2h3i s GLY 123 CO 0.09 2.87 0.25 -1.31 0.00 0.00 0.00 173.10 175.00 2h3i s ASN 124 N 2.06 -0.27 0.53 1.64 -0.87 -1.26 -5.17 114.94 111.61 2h3i s ASN 124 Ca 0.12 0.51 0.06 0.00 -1.57 0.00 0.00 52.86 51.99 2h3i s ASN 124 Cb -0.13 0.51 0.03 0.00 -0.02 0.00 0.00 41.25 41.64 2h3i s ASN 124 CO -0.20 -0.10 0.42 0.21 -2.57 0.00 0.00 177.10 174.86 2h3i s ASN 125 N 0.25 4.69 0.05 -1.22 3.84 -1.26 -5.15 114.94 116.14 2h3i s ASN 125 Ca -0.01 -1.17 -0.02 0.00 0.21 0.00 0.00 52.86 51.87 2h3i s ASN 125 Cb -0.03 0.28 -0.03 0.00 -0.55 0.00 0.00 41.25 40.92 2h3i s ASN 125 CO -0.01 -1.05 0.01 -0.94 -2.79 0.00 0.00 177.10 172.32 2h3i s SER 126 N -4.27 0.41 0.06 -4.21 1.04 -1.26 -5.17 113.70 100.30 2h3i s SER 126 Ca 0.37 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2h3i s SER 126 Cb -0.02 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 2h3i s SER 126 CO 0.23 -0.60 0.06 0.00 0.98 0.00 0.00 173.24 173.91 2h3i n GLN 127 N 0.19 0.09 -2.68 4.02 10.64 -1.26 -5.12 117.38 123.26 2h3i n GLN 127 Ca -0.15 -0.57 -0.43 0.00 -1.83 0.00 0.00 57.00 54.02 2h3i n GLN 127 Cb 0.61 0.49 -0.02 0.00 -0.86 0.00 0.00 30.24 30.46 2h3i n GLN 127 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2h3i s VAL 128 N -2.32 4.66 -0.13 -0.39 1.01 -1.26 -4.98 120.40 116.99 2h3i s VAL 128 Ca 0.07 1.92 -0.33 0.00 0.00 0.00 0.00 61.98 63.64 2h3i s VAL 128 Cb 0.00 -4.32 0.13 0.00 0.00 0.00 0.00 36.38 32.20 2h3i s VAL 128 CO 0.05 -0.23 1.23 -0.44 0.00 0.00 0.00 175.10 175.70 2h3i s SER 129 N 1.31 -0.11 0.12 3.32 0.01 -1.26 -5.17 113.70 111.91 2h3i s SER 129 Ca 0.43 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2h3i s SER 129 Cb -0.14 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 2h3i s SER 129 CO 0.08 -0.27 -0.01 0.00 0.41 0.00 0.00 173.24 173.45 2h3i s GLN 130 N -2.44 2.44 -0.09 12.44 -2.07 -1.26 -5.04 119.66 123.65 2h3i s GLN 130 Ca 0.11 -0.96 0.01 0.00 -1.82 0.00 0.00 55.36 52.70 2h3i s GLN 130 Cb 0.01 -2.45 -0.25 0.00 -1.09 0.00 0.00 33.01 29.23 2h3i s GLN 130 CO -0.04 0.51 0.50 -0.97 -1.32 0.00 0.00 175.29 173.96 2h3i h ASN 131 N 3.19 0.26 -0.03 12.60 -1.24 -2.03 -3.55 115.58 124.78 2h3i h ASN 131 Ca -0.48 -0.59 0.00 0.00 0.71 0.00 0.00 56.30 55.95 2h3i h ASN 131 Cb 1.18 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.14 2h3i h ASN 131 CO 0.58 1.52 0.00 -1.22 -1.29 0.00 0.00 177.43 177.02