#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 -0.08 -2.72 4.61 0.00 -2.02 -3.46 119.26 115.59 2h3i h ALA 3 Ca 0.00 -0.07 -0.65 0.00 0.00 0.00 0.00 54.91 54.19 2h3i h ALA 3 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2h3i h ALA 3 CO 0.00 -0.08 -0.41 1.03 0.00 0.00 0.00 179.25 179.79 2h3i s ARG 4 N -1.92 3.65 0.12 0.00 0.52 -1.26 -4.66 118.95 115.40 2h3i s ARG 4 Ca -0.03 -0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.22 2h3i s ARG 4 Cb -0.00 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 2h3i s ARG 4 CO 0.12 0.69 -0.12 0.00 0.02 0.00 0.00 175.30 176.01 2h3i s ALA 5 N -0.84 1.37 0.00 2.13 0.00 -1.26 -5.09 121.76 118.06 2h3i s ALA 5 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2h3i s ALA 5 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2h3i s ALA 5 CO 0.06 0.04 0.00 0.45 0.00 0.00 0.00 175.76 176.30 2h3i n SER 6 N 0.47 0.00 0.00 0.00 2.88 -1.26 -4.33 113.62 111.38 2h3i n SER 6 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2h3i n SER 6 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2h3i n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2h3i n VAL 7 N 0.00 0.00 0.00 2.46 0.31 -1.26 -4.96 118.33 114.88 2h3i n VAL 7 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2h3i n VAL 7 Cb 0.00 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2h3i n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2h3i n LEU 8 N -1.55 0.00 0.00 7.52 4.77 -1.26 -4.87 117.00 121.62 2h3i n LEU 8 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2h3i n LEU 8 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2h3i n LEU 8 CO 0.00 0.00 0.27 -1.20 -1.33 0.00 0.00 177.39 175.13 2h3i n SER 9 N 0.00 0.10 0.32 -1.43 7.64 -1.26 -4.69 113.62 114.31 2h3i n SER 9 Ca 0.00 -1.19 -0.14 0.00 1.01 0.00 0.00 58.87 58.55 2h3i n SER 9 Cb 0.00 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.50 -1.01 -0.89 0.23 0.00 -1.98 0.56 103.07 99.47 2h3i h GLY 10 Ca -0.13 0.40 0.40 0.00 0.00 0.00 0.00 47.33 48.00 2h3i h GLY 10 CO 0.10 -0.35 0.78 -1.33 0.00 0.00 0.00 176.54 175.74 2h3i h GLY 11 N -0.87 1.40 1.25 4.60 0.00 -2.01 0.47 103.07 107.91 2h3i h GLY 11 Ca -0.08 -0.14 -0.32 0.00 0.00 0.00 0.00 47.33 46.79 2h3i h GLY 11 CO 0.10 -0.38 -1.51 -2.09 0.00 0.00 0.00 176.54 172.66 2h3i h GLU 12 N 0.15 0.40 -0.98 4.80 4.57 -1.85 -3.32 114.58 118.36 2h3i h GLU 12 Ca 0.78 -0.69 0.19 0.00 -1.18 0.00 0.00 59.36 58.46 2h3i h GLU 12 Cb 2.31 0.26 -0.09 0.00 -0.16 0.00 0.00 28.75 31.06 2h3i h GLU 12 CO -0.43 1.31 0.61 1.25 -1.18 0.00 0.00 179.01 180.58 2h3i h LEU 13 N 0.11 0.66 -1.89 1.64 7.12 0.50 0.18 115.31 123.63 2h3i h LEU 13 Ca -0.25 0.08 0.28 0.00 0.13 0.00 0.00 57.88 58.12 2h3i h LEU 13 Cb 2.09 -0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 42.13 2h3i h LEU 13 CO 0.22 0.25 0.71 -0.78 -0.13 0.00 0.00 178.44 178.70 2h3i h ASP 14 N 0.65 0.08 0.69 1.25 3.58 -1.48 0.46 116.42 121.64 2h3i h ASP 14 Ca 0.54 0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.74 2h3i h ASP 14 Cb 0.99 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 2h3i h ASP 14 CO -0.31 0.02 -1.40 0.50 -2.88 0.00 0.00 179.24 175.18 2h3i h LYS 15 N 0.07 0.04 -0.19 0.28 3.64 -0.86 -3.26 116.57 116.30 2h3i h LYS 15 Ca 0.49 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.60 2h3i h LYS 15 Cb 1.81 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 2h3i h LYS 15 CO -0.05 0.80 -0.65 2.35 -2.27 0.00 0.00 179.45 179.63 2h3i h TRP 16 N 0.01 0.93 0.00 1.91 2.91 -0.04 -2.85 115.95 118.82 2h3i h TRP 16 Ca -0.17 -0.37 0.00 0.00 1.13 0.00 0.00 58.89 59.48 2h3i h TRP 16 Cb 1.91 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 30.40 2h3i h TRP 16 CO 0.01 1.17 0.00 0.39 -1.03 0.00 0.00 178.44 178.98 2h3i n GLU 17 N -3.95 0.81 0.07 2.65 1.02 0.68 -2.73 120.64 119.19 2h3i n GLU 17 Ca -0.05 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.21 2h3i n GLU 17 Cb 0.68 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.04 0.56 -2.70 3.49 4.81 -1.08 -4.30 118.16 117.92 2h3i n LYS 18 Ca 0.20 0.04 -0.42 0.00 -0.87 0.00 0.00 58.31 57.26 2h3i n LYS 18 Cb 0.11 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.40 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 -3.37 4.78 0.81 3.15 1.01 -1.10 -4.92 121.20 121.55 2h3i s ILE 19 Ca -0.01 2.03 -0.12 0.00 0.00 0.00 0.00 60.65 62.55 2h3i s ILE 19 Cb 0.11 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.36 2h3i s ILE 19 CO 0.81 0.18 1.12 -0.13 0.00 0.00 0.00 174.94 176.92 2h3i s ARG 20 N 0.89 2.02 -0.26 2.79 0.52 -1.26 -0.69 118.95 122.96 2h3i s ARG 20 Ca 0.52 0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 56.05 2h3i s ARG 20 Cb -0.22 -1.93 -0.15 0.00 0.52 0.00 0.00 34.95 33.17 2h3i s ARG 20 CO 0.28 -1.62 -0.21 1.28 0.02 0.00 0.00 175.30 175.06 2h3i n LEU 21 N -3.39 2.25 -4.92 2.53 4.77 0.34 -2.98 117.00 115.59 2h3i n LEU 21 Ca 0.07 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2h3i n LEU 21 Cb 0.58 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2h3i n LEU 21 CO 0.57 0.65 -0.00 -0.13 -1.33 0.00 0.00 177.39 177.15 2h3i s ARG 22 N -2.50 2.88 -0.02 3.23 3.00 -1.26 -3.30 118.95 120.98 2h3i s ARG 22 Ca -0.36 -1.19 -0.23 0.00 0.00 0.00 0.00 55.73 53.96 2h3i s ARG 22 Cb 0.12 -2.63 -0.16 0.00 0.00 0.00 0.00 34.95 32.28 2h3i s ARG 22 CO 0.55 0.04 1.04 -1.00 0.00 0.00 0.00 175.30 175.92 2h3i h PRO 23 N 1.04 -0.33 -0.45 3.54 0.13 -1.94 -3.32 132.00 130.67 2h3i h PRO 23 Ca -0.45 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2h3i h PRO 23 Cb 1.26 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2h3i h PRO 23 CO 0.55 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2h3i n GLY 24 N 0.13 3.34 0.00 1.56 0.00 -1.26 -4.93 105.19 104.04 2h3i n GLY 24 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.27 1.04 0.00 -0.02 0.00 -1.25 -5.05 105.19 100.19 2h3i n GLY 25 Ca 0.24 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.83 0.03 -2.42 1.61 4.81 -1.26 -4.89 118.16 115.21 2h3i n LYS 26 Ca 0.00 -0.42 -0.37 0.00 -0.87 0.00 0.00 58.31 56.65 2h3i n LYS 26 Cb 0.00 -0.73 -0.03 0.00 0.02 0.00 0.00 35.03 34.30 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2h3i s LYS 27 N -0.12 3.99 0.54 1.64 -0.14 -1.26 -4.94 119.74 119.44 2h3i s LYS 27 Ca 0.00 1.63 0.03 0.00 -1.36 0.00 0.00 55.97 56.27 2h3i s LYS 27 Cb 0.00 -2.48 0.02 0.00 -1.68 0.00 0.00 37.83 33.69 2h3i s LYS 27 CO 0.00 -0.32 0.24 -0.65 -0.76 0.00 0.00 175.35 173.86 2h3i s GLN 28 N -2.59 2.23 0.09 1.68 1.11 -1.26 -0.50 119.66 120.42 2h3i s GLN 28 Ca 0.60 -2.22 -0.10 0.00 0.01 0.00 0.00 55.36 53.65 2h3i s GLN 28 Cb -0.25 -1.84 -0.06 0.00 -1.01 0.00 0.00 33.01 29.85 2h3i s GLN 28 CO 0.31 -0.55 0.42 0.71 0.01 0.00 0.00 175.29 176.19 2h3i s TYR 29 N -2.84 3.59 0.12 0.91 2.02 0.14 -4.56 117.35 116.72 2h3i s TYR 29 Ca 0.20 0.83 0.05 0.00 -0.37 0.00 0.00 57.07 57.77 2h3i s TYR 29 Cb -0.01 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2h3i s TYR 29 CO 0.12 0.51 -0.12 0.21 -1.57 0.00 0.00 175.55 174.70 2h3i s LYS 30 N -1.92 0.98 0.24 -0.62 2.20 -1.26 -4.03 119.74 115.33 2h3i s LYS 30 Ca 0.34 -1.28 -0.09 0.00 -0.36 0.00 0.00 55.97 54.58 2h3i s LYS 30 Cb -0.14 -0.71 0.38 0.00 -1.51 0.00 0.00 37.83 35.86 2h3i s LYS 30 CO 0.18 0.12 1.61 -0.07 -0.36 0.00 0.00 175.35 176.83 2h3i h LEU 31 N 3.30 -0.56 -0.82 5.43 3.38 -1.99 0.11 115.31 124.17 2h3i h LEU 31 Ca -0.38 0.22 0.28 0.00 0.09 0.00 0.00 57.88 58.09 2h3i h LEU 31 Cb 1.19 0.43 -0.15 0.00 0.09 0.00 0.00 40.66 42.22 2h3i h LEU 31 CO 0.55 -0.23 0.20 0.29 0.09 0.00 0.00 178.44 179.34 2h3i n LYS 32 N -5.44 -0.06 -0.07 1.13 4.01 -1.26 0.13 118.16 116.60 2h3i n LYS 32 Ca 0.12 1.18 -0.12 0.00 -0.51 0.00 0.00 58.31 58.99 2h3i n LYS 32 Cb 0.44 -1.98 -0.05 0.00 -0.51 0.00 0.00 35.03 32.93 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2h3i h HIS 33 N 0.00 0.47 0.22 2.13 3.86 -1.19 -1.50 115.15 119.14 2h3i h HIS 33 Ca 0.58 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.70 2h3i h HIS 33 Cb 1.38 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.71 2h3i h HIS 33 CO -0.24 0.66 -0.28 0.82 0.86 0.00 0.00 177.93 179.75 2h3i h ILE 34 N 0.15 0.40 -0.09 2.45 2.04 0.11 -1.91 117.51 120.66 2h3i h ILE 34 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2h3i h ILE 34 Cb 0.51 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2h3i h ILE 34 CO 0.02 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.67 2h3i h VAL 35 N -0.55 0.75 -0.38 1.67 2.07 -1.35 -0.53 116.25 117.93 2h3i h VAL 35 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2h3i h VAL 35 Cb 0.53 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2h3i h VAL 35 CO -0.10 0.00 0.43 -0.25 0.02 0.00 0.00 177.57 177.67 2h3i h TRP 36 N -0.11 0.00 0.02 1.57 7.01 -1.07 0.17 115.95 123.53 2h3i h TRP 36 Ca 0.07 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 2h3i h TRP 36 Cb 0.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2h3i h TRP 36 CO -0.20 0.00 -0.15 0.00 -2.79 0.00 0.00 178.44 175.31 2h3i h ALA 37 N 1.49 -0.00 -0.78 2.65 0.00 -0.31 -3.26 119.26 119.05 2h3i h ALA 37 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2h3i h ALA 37 Cb 1.04 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2h3i h ALA 37 CO -0.00 0.07 0.46 1.03 0.00 0.00 0.00 179.25 180.81 2h3i h SER 38 N -0.92 0.93 0.44 0.00 0.87 -0.30 -0.38 113.55 114.19 2h3i h SER 38 Ca -0.03 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2h3i h SER 38 Cb 1.09 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2h3i h SER 38 CO 0.01 0.72 0.00 -1.14 -0.53 0.00 0.00 176.83 175.89 2h3i n ARG 39 N -4.38 0.14 -0.01 2.24 0.63 -0.07 -2.35 116.66 112.86 2h3i n ARG 39 Ca 0.08 0.46 -0.20 0.00 -0.92 0.00 0.00 57.85 57.28 2h3i n ARG 39 Cb 0.07 -1.81 -0.14 0.00 0.45 0.00 0.00 32.46 31.03 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2h3i n GLU 40 N -2.07 0.74 -0.27 -0.14 4.07 -0.19 -4.23 120.64 118.54 2h3i n GLU 40 Ca 0.01 0.25 0.04 0.00 -0.06 0.00 0.00 57.16 57.41 2h3i n GLU 40 Cb 0.15 -1.70 0.18 0.00 -0.06 0.00 0.00 31.44 30.01 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 0.06 0.51 -1.04 4.31 3.38 -1.05 -0.19 115.31 121.28 2h3i h LEU 41 Ca -0.42 0.07 0.16 0.00 0.09 0.00 0.00 57.88 57.78 2h3i h LEU 41 Cb 2.03 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 42.67 2h3i h LEU 41 CO 0.07 0.25 0.62 -0.33 0.09 0.00 0.00 178.44 179.15 2h3i h GLU 42 N 0.63 0.83 0.00 1.13 4.39 -1.51 0.27 114.58 120.32 2h3i h GLU 42 Ca 0.41 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.99 2h3i h GLU 42 Cb 0.50 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2h3i h GLU 42 CO -0.31 0.55 -0.31 -0.09 -1.16 0.00 0.00 179.01 177.69 2h3i h ARG 43 N 0.86 0.00 -0.88 2.33 9.65 -1.26 -3.13 114.38 121.95 2h3i h ARG 43 Ca 0.53 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 59.25 2h3i h ARG 43 Cb 0.72 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.20 2h3i h ARG 43 CO -0.31 0.31 0.20 1.19 2.80 0.00 0.00 179.97 184.16 2h3i n PHE 44 N -3.24 1.56 -1.84 2.20 3.72 0.67 -4.85 117.46 115.68 2h3i n PHE 44 Ca 0.02 -0.89 -0.14 0.00 -0.05 0.00 0.00 57.45 56.39 2h3i n PHE 44 Cb 0.60 -0.52 -0.04 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 -0.07 -0.44 -2.80 4.37 0.00 -1.00 -4.93 120.51 115.63 2h3i n ALA 45 Ca 0.27 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.56 2h3i n ALA 45 Cb 1.02 -1.56 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.42 2.99 0.17 0.00 1.01 0.40 -5.02 120.40 117.54 2h3i s VAL 46 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 2h3i s VAL 46 Cb 0.00 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 2h3i s VAL 46 CO 0.00 0.56 1.45 0.20 0.00 0.00 0.00 175.10 177.30 2h3i s ASN 47 N -0.15 6.72 0.00 3.32 0.01 -1.26 -2.82 114.94 120.76 2h3i s ASN 47 Ca -0.01 2.51 0.15 0.00 -0.71 0.00 0.00 52.86 54.80 2h3i s ASN 47 Cb -0.14 -2.60 0.73 0.00 0.41 0.00 0.00 41.25 39.65 2h3i s ASN 47 CO 0.03 -0.70 1.42 -0.81 -1.51 0.00 0.00 177.10 175.53 2h3i n PRO 48 N 3.40 0.18 0.10 -0.60 -0.04 -1.26 -2.34 135.00 134.43 2h3i n PRO 48 Ca 0.10 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 2h3i n PRO 48 Cb 0.41 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.60 2h3i n PRO 48 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2h3i h GLY 49 N 2.45 0.00 1.58 0.55 0.00 -1.96 -3.31 103.07 102.37 2h3i h GLY 49 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2h3i h GLY 49 CO 0.00 0.00 0.19 1.41 0.00 0.00 0.00 176.54 178.14 2h3i h LEU 50 N 0.00 0.50 0.00 3.11 3.38 -1.83 -0.13 115.31 120.34 2h3i h LEU 50 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2h3i h LEU 50 Cb 0.79 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2h3i h LEU 50 CO 0.00 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.14 2h3i n LEU 51 N -4.41 0.00 0.11 1.67 4.77 -1.25 -2.49 117.00 115.40 2h3i n LEU 51 Ca 0.03 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 2h3i n LEU 51 Cb 0.12 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 40.89 2h3i n LEU 51 CO 0.36 -0.20 0.44 -0.08 -1.33 0.00 0.00 177.39 176.59 2h3i h GLU 52 N 0.00 0.11 -6.51 3.23 4.81 -1.22 -3.45 114.58 111.54 2h3i h GLU 52 Ca 0.00 -0.08 -0.64 0.00 -0.13 0.00 0.00 59.36 58.50 2h3i h GLU 52 Cb 0.23 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.38 2h3i h GLU 52 CO 0.00 0.73 -0.86 0.95 -0.73 0.00 0.00 179.01 179.10 2h3i s THR 53 N -3.57 1.97 0.29 0.32 -4.23 -1.04 -4.99 115.64 104.39 2h3i s THR 53 Ca -0.02 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2h3i s THR 53 Cb 0.12 -1.72 0.28 0.00 1.34 0.00 0.00 72.50 72.52 2h3i s THR 53 CO 0.79 0.21 1.88 0.77 -0.54 0.00 0.00 174.62 177.73 2h3i h SER 54 N 4.55 0.93 -0.77 3.99 4.64 -1.86 -1.55 113.55 123.47 2h3i h SER 54 Ca -0.46 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2h3i h SER 54 Cb 1.16 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 2h3i h SER 54 CO 0.42 0.56 0.50 -0.33 -0.87 0.00 0.00 176.83 177.11 2h3i h GLU 55 N 1.03 0.97 -0.69 4.77 4.39 -1.96 -2.55 114.58 120.54 2h3i h GLU 55 Ca 0.44 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.17 2h3i h GLU 55 Cb 0.32 -0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 2h3i h GLU 55 CO -0.19 0.64 0.34 0.78 -1.16 0.00 0.00 179.01 179.42 2h3i h GLY 56 N 1.00 1.03 1.01 -3.84 0.00 -1.35 -1.81 103.07 99.11 2h3i h GLY 56 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2h3i h GLY 56 CO -0.08 0.05 0.46 0.00 0.00 0.00 0.00 176.54 176.96 2h3i h ARG 58 N 0.98 0.12 0.05 0.00 2.43 -1.12 0.40 114.38 117.24 2h3i h ARG 58 Ca 0.26 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.15 2h3i h ARG 58 Cb -0.07 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2h3i h ARG 58 CO -0.05 0.08 -1.45 0.37 -1.51 0.00 0.00 179.97 177.41 2h3i h GLN 59 N 0.12 0.10 0.33 0.20 4.15 -1.28 -3.23 115.11 115.49 2h3i h GLN 59 Ca 0.49 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 2h3i h GLN 59 Cb 1.73 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.49 2h3i h GLN 59 CO -0.08 0.88 -0.16 0.82 -1.93 0.00 0.00 178.83 178.37 2h3i h ILE 60 N 0.03 0.09 -0.97 2.39 2.04 0.10 -2.91 117.51 118.27 2h3i h ILE 60 Ca -0.19 -0.71 0.25 0.00 1.00 0.00 0.00 64.86 65.21 2h3i h ILE 60 Cb 1.94 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2h3i h ILE 60 CO 0.12 0.02 0.65 -0.07 0.00 0.00 0.00 178.15 178.88 2h3i h LEU 61 N -1.10 0.29 -0.80 1.44 3.38 -0.61 0.29 115.31 118.21 2h3i h LEU 61 Ca -0.05 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2h3i h LEU 61 Cb 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2h3i h LEU 61 CO 0.07 0.09 -0.44 1.23 0.09 0.00 0.00 178.44 179.48 2h3i h GLY 62 N 0.28 0.39 0.70 0.83 0.00 -1.60 0.29 103.07 103.95 2h3i h GLY 62 Ca 0.51 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 2h3i h GLY 62 CO -0.16 0.35 -0.33 1.46 0.00 0.00 0.00 176.54 177.86 2h3i h GLN 63 N 0.29 0.35 0.00 4.80 1.08 -0.26 -3.22 115.11 118.16 2h3i h GLN 63 Ca 0.02 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2h3i h GLN 63 Cb 0.90 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 2h3i h GLN 63 CO 0.07 0.92 0.00 -0.07 -0.95 0.00 0.00 178.83 178.81 2h3i h LEU 64 N -0.14 0.00 0.08 1.46 3.38 -1.31 -3.34 115.31 115.44 2h3i h LEU 64 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2h3i h LEU 64 Cb 0.98 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2h3i h LEU 64 CO 0.07 0.00 -0.52 -0.61 0.09 0.00 0.00 178.44 177.47 2h3i h GLN 65 N 0.00 -0.68 0.00 1.13 5.75 -0.42 0.76 115.11 121.66 2h3i h GLN 65 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2h3i h GLN 65 Cb 0.89 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.59 2h3i h GLN 65 CO 0.00 -0.45 0.00 -0.35 -2.65 0.00 0.00 178.83 175.38 2h3i n PRO 66 N -5.37 0.37 -0.00 -2.39 -0.04 -1.25 -1.86 135.00 124.46 2h3i n PRO 66 Ca -0.08 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2h3i n PRO 66 Cb 0.39 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.12 0.90 -0.01 3.54 7.64 0.12 -4.37 113.62 120.33 2h3i n SER 67 Ca 0.10 -0.91 0.23 0.00 1.01 0.00 0.00 58.87 59.30 2h3i n SER 67 Cb 0.08 1.06 0.67 0.00 -1.01 0.00 0.00 64.21 65.01 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 0.05 -3.43 3.38 -0.41 0.85 115.31 115.75 2h3i h LEU 68 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2h3i h LEU 68 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2h3i h LEU 68 CO 0.00 0.00 -2.24 1.67 0.09 0.00 0.00 178.44 177.96 2h3i n GLN 69 N -3.59 0.70 -0.96 1.13 7.27 -1.26 -4.33 117.38 116.33 2h3i n GLN 69 Ca 0.12 0.19 -0.18 0.00 0.07 0.00 0.00 57.00 57.21 2h3i n GLN 69 Cb 0.89 -1.61 0.03 0.00 2.41 0.00 0.00 30.24 31.96 2h3i n GLN 69 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2h3i n THR 70 N -3.30 2.85 -3.58 1.69 -1.04 0.22 -4.86 114.28 106.26 2h3i n THR 70 Ca -0.38 -1.81 -0.17 0.00 -2.04 0.00 0.00 64.05 59.66 2h3i n THR 70 Cb 1.03 -1.36 -0.07 0.00 -1.82 0.00 0.00 70.33 68.11 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 0.16 -0.50 0.00 3.41 0.00 -0.75 -4.96 107.32 104.68 2h3i s GLY 71 Ca 0.35 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.30 2h3i s GLY 71 CO -0.02 0.92 0.00 -1.14 0.00 0.00 0.00 173.10 172.85 2h3i n SER 72 N 1.25 0.00 0.19 1.64 3.41 -1.26 -4.79 113.62 114.06 2h3i n SER 72 Ca -0.19 -0.42 0.13 0.00 -0.26 0.00 0.00 58.87 58.14 2h3i n SER 72 Cb 0.57 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.21 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 0.00 0.00 0.00 4.33 4.11 -2.00 -0.96 114.58 120.06 2h3i h GLU 73 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2h3i h GLU 73 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2h3i h GLU 73 CO 0.00 0.00 -0.33 1.49 0.07 0.00 0.00 179.01 180.24 2h3i h GLU 74 N 0.00 0.00 0.00 1.06 4.81 -2.01 -2.50 114.58 115.94 2h3i h GLU 74 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2h3i h GLU 74 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2h3i h GLU 74 CO 0.00 0.33 -1.20 -0.11 -0.73 0.00 0.00 179.01 177.30 2h3i n LEU 75 N -3.92 0.73 -0.03 1.64 7.94 -0.37 -3.94 117.00 119.05 2h3i n LEU 75 Ca -0.02 0.29 -0.14 0.00 -1.11 0.00 0.00 56.01 55.03 2h3i n LEU 75 Cb 0.39 -0.03 -0.10 0.00 0.53 0.00 0.00 43.42 44.21 2h3i n LEU 75 CO 0.37 -0.12 0.53 -0.09 -1.11 0.00 0.00 177.39 176.96 2h3i h ARG 76 N 0.00 0.17 0.00 1.96 2.43 -1.41 -2.19 114.38 115.34 2h3i h ARG 76 Ca -0.02 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2h3i h ARG 76 Cb 1.07 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2h3i h ARG 76 CO 0.01 0.74 0.00 0.77 -1.51 0.00 0.00 179.97 179.98 2h3i h SER 77 N -0.37 0.00 0.00 -3.80 0.02 -1.63 -1.88 113.55 105.88 2h3i h SER 77 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2h3i h SER 77 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2h3i h SER 77 CO 0.03 0.00 -0.03 0.25 -1.14 0.00 0.00 176.83 175.94 2h3i h LEU 78 N 0.00 0.00 -0.80 5.07 5.85 -1.66 -3.18 115.31 120.59 2h3i h LEU 78 Ca 0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 2h3i h LEU 78 Cb 0.19 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.09 2h3i h LEU 78 CO 0.00 0.11 0.20 0.22 -0.34 0.00 0.00 178.44 178.62 2h3i h TYR 79 N -0.18 0.30 0.26 1.25 3.20 -1.42 0.32 116.97 120.69 2h3i h TYR 79 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2h3i h TYR 79 Cb 0.03 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2h3i h TYR 79 CO -0.01 -0.14 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.19 2h3i h ASN 80 N 0.24 -0.73 0.16 -2.11 4.21 -1.53 -1.03 115.58 114.80 2h3i h ASN 80 Ca 0.47 0.06 0.01 0.00 1.21 0.00 0.00 56.30 58.06 2h3i h ASN 80 Cb 0.87 0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.28 2h3i h ASN 80 CO -0.58 -0.35 -0.27 0.74 -1.29 0.00 0.00 177.43 175.69 2h3i h THR 81 N -0.52 0.41 -1.20 2.81 2.02 -1.39 -1.68 112.91 113.37 2h3i h THR 81 Ca -0.03 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.51 2h3i h THR 81 Cb 0.45 0.41 -0.11 0.00 -1.74 0.00 0.00 68.15 67.17 2h3i h THR 81 CO -0.04 0.00 0.77 0.40 0.37 0.00 0.00 175.52 177.03 2h3i h ILE 82 N -0.51 0.30 -0.51 3.11 2.04 -0.36 0.51 117.51 122.10 2h3i h ILE 82 Ca 0.02 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2h3i h ILE 82 Cb 0.51 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2h3i h ILE 82 CO -0.13 0.04 0.15 0.00 0.00 0.00 0.00 178.15 178.21 2h3i h ALA 83 N 1.60 0.67 -0.91 1.87 0.00 -0.21 -2.85 119.26 119.44 2h3i h ALA 83 Ca 0.72 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.51 2h3i h ALA 83 Cb 2.11 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 2h3i h ALA 83 CO -0.35 0.34 0.56 0.28 0.00 0.00 0.00 179.25 180.08 2h3i h VAL 84 N 0.70 1.00 0.40 0.00 2.07 0.19 -2.62 116.25 117.99 2h3i h VAL 84 Ca 0.16 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2h3i h VAL 84 Cb 0.29 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2h3i h VAL 84 CO -0.00 0.18 -0.27 0.25 0.02 0.00 0.00 177.57 177.75 2h3i h LEU 85 N 0.98 -0.68 -0.83 2.57 5.85 -1.27 -1.69 115.31 120.24 2h3i h LEU 85 Ca 0.41 0.05 0.20 0.00 0.84 0.00 0.00 57.88 59.38 2h3i h LEU 85 Cb 0.26 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 2h3i h LEU 85 CO -0.20 -0.42 0.21 0.22 -0.34 0.00 0.00 178.44 177.90 2h3i h TYR 86 N -0.65 0.31 -0.04 1.25 3.20 -1.33 0.72 116.97 120.43 2h3i h TYR 86 Ca -0.04 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2h3i h TYR 86 Cb 0.55 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2h3i h TYR 86 CO -0.11 -0.16 -0.26 0.00 -1.64 0.00 0.00 178.16 175.98 2h3i h VAL 88 N 0.06 1.34 0.00 0.00 2.07 0.13 0.20 116.25 120.05 2h3i h VAL 88 Ca 0.01 -1.90 -0.18 0.00 0.82 0.00 0.00 66.70 65.45 2h3i h VAL 88 Cb 0.50 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2h3i h VAL 88 CO 0.04 0.58 -0.86 0.45 0.02 0.00 0.00 177.57 177.80 2h3i h HIS 89 N 0.37 0.00 -0.20 1.57 -0.00 -0.73 -3.12 115.15 113.04 2h3i h HIS 89 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2h3i h HIS 89 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 2h3i h HIS 89 CO 0.04 0.86 0.00 1.04 -0.00 0.00 0.00 177.93 179.87 2h3i n GLN 90 N -3.46 1.53 -1.14 2.45 1.13 -0.64 -4.85 117.38 112.40 2h3i n GLN 90 Ca -0.00 -0.74 -0.05 0.00 -1.94 0.00 0.00 57.00 54.27 2h3i n GLN 90 Cb 0.83 -1.21 -0.02 0.00 0.11 0.00 0.00 30.24 29.95 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 0.10 -1.21 -2.88 -1.09 0.63 -1.18 -4.96 116.66 106.07 2h3i n ARG 91 Ca 0.07 0.55 -0.41 0.00 -0.92 0.00 0.00 57.85 57.14 2h3i n ARG 91 Cb 0.21 -4.58 -0.04 0.00 0.45 0.00 0.00 32.46 28.49 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 -1.73 4.89 -0.44 5.15 1.01 0.70 -5.01 121.20 125.76 2h3i s ILE 92 Ca 0.00 1.66 -0.19 0.00 0.00 0.00 0.00 60.65 62.12 2h3i s ILE 92 Cb 0.00 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.35 2h3i s ILE 92 CO 0.00 0.05 0.56 -1.81 0.00 0.00 0.00 174.94 173.74 2h3i s ASP 93 N 1.11 6.26 0.60 3.58 1.01 -1.26 -4.10 116.67 123.87 2h3i s ASP 93 Ca 0.39 -0.54 -0.02 0.00 0.71 0.00 0.00 52.55 53.10 2h3i s ASP 93 Cb -0.17 -2.28 0.04 0.00 1.01 0.00 0.00 42.92 41.52 2h3i s ASP 93 CO 0.14 -0.71 0.85 0.68 0.21 0.00 0.00 175.17 176.35 2h3i s VAL 94 N 2.52 2.69 -0.06 -1.27 -7.23 -1.26 -5.03 120.40 110.76 2h3i s VAL 94 Ca 0.17 -0.48 0.18 0.00 -1.81 0.00 0.00 61.98 60.05 2h3i s VAL 94 Cb -0.16 -3.06 -0.28 0.00 0.56 0.00 0.00 36.38 33.44 2h3i s VAL 94 CO 0.16 -0.05 0.33 0.29 -0.31 0.00 0.00 175.10 175.52 2h3i n LYS 95 N -2.53 0.70 0.00 4.82 5.02 -1.26 -4.84 118.16 120.07 2h3i n LYS 95 Ca 0.07 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2h3i n LYS 95 Cb 0.60 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.29 0.00 0.00 4.39 5.68 -1.26 -4.11 116.55 118.97 2h3i n ASP 96 Ca -0.10 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.22 2h3i n ASP 96 Cb 0.64 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.76 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 -0.05 1.29 -0.07 2.12 -1.04 -1.16 -1.17 114.28 114.20 2h3i n THR 97 Ca 0.00 0.32 -0.04 0.00 -2.04 0.00 0.00 64.05 62.29 2h3i n THR 97 Cb 0.00 -1.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 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 -1.41 0.42 0.27 -2.82 0.00 -1.26 -3.45 118.16 109.92 2h3i n LYS 98 Ca 0.02 0.50 0.14 0.00 0.00 0.00 0.00 58.31 58.98 2h3i n LYS 98 Cb 0.06 -1.62 0.78 0.00 0.00 0.00 0.00 35.03 34.25 2h3i n LYS 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2h3i h GLU 99 N -0.93 0.00 0.31 1.64 5.08 -1.91 -2.53 114.58 116.24 2h3i h GLU 99 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2h3i h GLU 99 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2h3i h GLU 99 CO 0.00 0.09 -0.15 0.00 -1.00 0.00 0.00 179.01 177.96 2h3i h ALA 100 N 1.91 -0.41 -0.96 3.43 0.00 -1.33 -2.72 119.26 119.17 2h3i h ALA 100 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2h3i h ALA 100 Cb 0.31 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2h3i h ALA 100 CO 0.01 -0.43 0.61 -0.07 0.00 0.00 0.00 179.25 179.37 2h3i h LEU 101 N -1.01 0.87 -0.98 0.00 3.38 -1.56 -0.68 115.31 115.33 2h3i h LEU 101 Ca -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2h3i h LEU 101 Cb 0.47 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2h3i h LEU 101 CO 0.07 0.48 0.39 -0.78 0.09 0.00 0.00 178.44 178.69 2h3i h ASP 102 N 0.94 1.01 -0.45 -0.43 1.82 -1.52 0.17 116.42 117.96 2h3i h ASP 102 Ca 0.47 -0.11 0.04 0.00 -0.39 0.00 0.00 57.03 57.04 2h3i h ASP 102 Cb 0.48 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 2h3i h ASP 102 CO -0.23 0.84 0.23 0.50 -1.61 0.00 0.00 179.24 178.97 2h3i h LYS 103 N 1.11 0.44 -0.01 0.28 1.63 -0.79 0.23 116.57 119.47 2h3i h LYS 103 Ca 0.27 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 2h3i h LYS 103 Cb 0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2h3i h LYS 103 CO -0.04 0.29 -0.07 0.82 -3.45 0.00 0.00 179.45 177.00 2h3i h ILE 104 N 0.46 1.56 -0.93 2.00 2.04 -1.28 -2.98 117.51 118.38 2h3i h ILE 104 Ca 0.20 -1.76 0.12 0.00 1.00 0.00 0.00 64.86 64.42 2h3i h ILE 104 Cb 0.10 2.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 2h3i h ILE 104 CO -0.14 0.47 0.60 -0.33 0.00 0.00 0.00 178.15 178.75 2h3i h GLU 105 N -0.64 0.85 -0.60 2.37 5.08 -0.58 0.13 114.58 121.18 2h3i h GLU 105 Ca -0.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2h3i h GLU 105 Cb 0.80 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2h3i h GLU 105 CO 0.01 0.56 0.05 1.49 -1.00 0.00 0.00 179.01 180.12 2h3i h GLU 106 N 0.87 1.01 -0.06 2.33 4.57 -0.60 -1.09 114.58 121.61 2h3i h GLU 106 Ca 0.45 -0.28 -0.17 0.00 -1.18 0.00 0.00 59.36 58.18 2h3i h GLU 106 Cb 0.53 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2h3i h GLU 106 CO -0.22 0.96 -0.71 1.49 -1.18 0.00 0.00 179.01 179.36 2h3i h GLU 107 N 0.94 0.28 -0.09 1.92 4.81 -0.98 -2.17 114.58 119.28 2h3i h GLU 107 Ca 0.18 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2h3i h GLU 107 Cb 0.48 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2h3i h GLU 107 CO 0.02 0.87 -0.06 1.96 -0.73 0.00 0.00 179.01 181.07 2h3i h GLN 108 N 0.19 0.20 -0.09 1.92 1.08 -0.58 -2.96 115.11 114.87 2h3i h GLN 108 Ca -0.02 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 2h3i h GLN 108 Cb 1.26 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2h3i h GLN 108 CO 0.11 0.59 -0.27 -0.91 -0.95 0.00 0.00 178.83 177.40 2h3i h ASN 109 N -0.19 0.16 -0.71 1.46 2.35 -1.25 -2.70 115.58 114.69 2h3i h ASN 109 Ca 0.02 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2h3i h ASN 109 Cb 0.55 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2h3i h ASN 109 CO 0.02 0.44 0.38 0.50 -1.65 0.00 0.00 177.43 177.11 2h3i h LYS 110 N 0.15 1.02 -0.45 0.81 3.64 -1.33 -0.07 116.57 120.33 2h3i h LYS 110 Ca 0.02 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 2h3i h LYS 110 Cb 0.57 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2h3i h LYS 110 CO 0.04 0.76 -0.26 1.03 -2.27 0.00 0.00 179.45 178.75 2h3i h SER 111 N 1.02 1.00 0.02 4.20 0.87 -1.32 -2.73 113.55 116.62 2h3i h SER 111 Ca 0.26 -0.40 -0.13 0.00 -1.23 0.00 0.00 61.79 60.29 2h3i h SER 111 Cb 0.06 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2h3i h SER 111 CO -0.04 1.19 -0.44 0.11 -0.53 0.00 0.00 176.83 177.12 2h3i h LYS 112 N 0.82 0.51 -0.46 2.24 1.57 -1.32 -2.89 116.57 117.02 2h3i h LYS 112 Ca 0.10 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2h3i h LYS 112 Cb 0.84 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2h3i h LYS 112 CO 0.07 0.85 0.08 -0.22 -0.57 0.00 0.00 179.45 179.66 2h3i h LYS 113 N 0.41 0.71 0.00 3.15 3.64 -0.90 -2.15 116.57 121.43 2h3i h LYS 113 Ca 0.03 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 2h3i h LYS 113 Cb 0.93 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2h3i h LYS 113 CO 0.08 0.67 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.26 2h3i h LYS 114 N 0.69 0.00 -0.85 1.90 1.63 -1.34 -2.84 116.57 115.76 2h3i h LYS 114 Ca 0.15 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.72 2h3i h LYS 114 Cb 0.30 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.79 2h3i h LYS 114 CO 0.00 0.45 0.29 0.00 -3.45 0.00 0.00 179.45 176.74 2h3i n ALA 115 N -2.36 4.39 -1.25 5.00 0.00 -0.83 -4.21 120.51 121.25 2h3i n ALA 115 Ca -0.01 -1.98 -0.03 0.00 0.00 0.00 0.00 53.44 51.42 2h3i n ALA 115 Cb 0.52 -1.25 0.23 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.22 2.41 0.22 0.00 7.27 -1.07 -4.59 117.38 121.39 2h3i n GLN 116 Ca 0.37 -3.05 0.08 0.00 0.07 0.00 0.00 57.00 54.46 2h3i n GLN 116 Cb 1.26 -1.91 0.53 0.00 2.41 0.00 0.00 30.24 32.53 2h3i n GLN 116 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2h3i h GLN 117 N 1.41 0.00 -0.06 3.69 1.08 -1.81 -2.49 115.11 116.94 2h3i h GLN 117 Ca 0.20 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2h3i h GLN 117 Cb 1.80 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.22 2h3i h GLN 117 CO 0.45 0.24 -0.44 0.00 -0.95 0.00 0.00 178.83 178.13 2h3i h ALA 118 N 1.76 1.16 -0.77 3.87 0.00 -1.95 -2.78 119.26 120.55 2h3i h ALA 118 Ca -0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 2h3i h ALA 118 Cb 0.54 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.09 2h3i h ALA 118 CO 0.03 0.59 0.33 0.00 0.00 0.00 0.00 179.25 180.20 2h3i n ALA 119 N -2.46 4.76 -2.04 0.00 0.00 -0.95 -4.40 120.51 115.41 2h3i n ALA 119 Ca -0.02 -2.49 -0.24 0.00 0.00 0.00 0.00 53.44 50.69 2h3i n ALA 119 Cb 0.48 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.40 5.04 -1.25 0.00 0.00 -1.05 -4.72 120.51 118.13 2h3i n ALA 120 Ca 0.44 -3.82 -0.11 0.00 0.00 0.00 0.00 53.44 49.95 2h3i n ALA 120 Cb 1.43 -0.35 0.22 0.00 0.00 0.00 0.00 19.45 20.75 2h3i n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3i n ASP 121 N -0.70 3.56 -4.81 0.00 2.03 -1.26 -4.98 116.55 110.39 2h3i n ASP 121 Ca 0.44 -3.54 -0.30 0.00 0.52 0.00 0.00 54.79 51.91 2h3i n ASP 121 Cb 0.95 -0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2h3i s THR 122 N -3.18 4.74 -1.20 5.18 -4.23 -1.26 -5.02 115.64 110.67 2h3i s THR 122 Ca 0.51 -0.71 -0.20 0.00 -1.18 0.00 0.00 61.69 60.11 2h3i s THR 122 Cb 0.44 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2h3i s THR 122 CO 0.08 0.10 1.90 0.61 -0.54 0.00 0.00 174.62 176.76 2h3i n GLY 123 N 0.31 2.19 3.63 3.99 0.00 -1.26 -4.80 105.19 109.24 2h3i n GLY 123 Ca -0.08 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 5.09 -1.04 0.00 1.61 3.84 -1.26 -5.09 114.94 118.09 2h3i s ASN 124 Ca 0.59 1.47 0.00 0.00 0.21 0.00 0.00 52.86 55.14 2h3i s ASN 124 Cb 0.05 2.03 0.00 0.00 -0.55 0.00 0.00 41.25 42.78 2h3i s ASN 124 CO 0.09 -0.21 0.90 0.59 -2.79 0.00 0.00 177.10 175.68 2h3i n ASN 125 N 5.12 0.00 -3.48 -4.21 4.13 -1.26 -4.98 115.26 110.59 2h3i n ASN 125 Ca -0.14 0.90 -0.09 0.00 1.68 0.00 0.00 54.58 56.94 2h3i n ASN 125 Cb 0.52 -0.40 -0.02 0.00 -1.54 0.00 0.00 39.78 38.34 2h3i n ASN 125 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2h3i s SER 126 N -2.09 0.06 -0.05 6.41 1.04 -1.26 -5.16 113.70 112.64 2h3i s SER 126 Ca 0.00 -1.01 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 2h3i s SER 126 Cb 0.00 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.80 2h3i s SER 126 CO 0.00 -1.41 0.23 -1.58 0.98 0.00 0.00 173.24 171.46 2h3i s GLN 127 N -3.26 3.57 0.36 4.02 0.74 -1.26 -5.06 119.66 118.77 2h3i s GLN 127 Ca 0.18 -0.03 -0.28 0.00 0.05 0.00 0.00 55.36 55.29 2h3i s GLN 127 Cb -0.04 -3.16 -0.12 0.00 1.10 0.00 0.00 33.01 30.80 2h3i s GLN 127 CO 0.11 0.72 1.29 1.55 -0.55 0.00 0.00 175.29 178.41 2h3i n VAL 128 N 1.63 2.09 -3.49 1.34 3.14 -1.26 -5.00 118.33 116.77 2h3i n VAL 128 Ca -0.16 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.58 2h3i n VAL 128 Cb 0.54 -1.57 -0.04 0.00 -1.06 0.00 0.00 33.84 31.70 2h3i n VAL 128 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2h3i s SER 129 N -0.34 -0.55 1.07 6.55 1.04 -1.26 -5.18 113.70 115.03 2h3i s SER 129 Ca 0.56 0.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.28 2h3i s SER 129 Cb -0.56 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.16 2h3i s SER 129 CO 0.62 -0.70 0.29 0.00 0.98 0.00 0.00 173.24 174.43 2h3i n GLN 130 N 0.31 -1.72 -3.87 4.02 10.64 -1.26 -5.09 117.38 120.41 2h3i n GLN 130 Ca -0.16 -0.46 -0.21 0.00 -1.83 0.00 0.00 57.00 54.33 2h3i n GLN 130 Cb 0.60 -0.45 -0.05 0.00 -0.86 0.00 0.00 30.24 29.48 2h3i n GLN 130 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2h3i n ASN 131 N -3.53 2.21 0.00 2.61 6.94 -1.26 -5.27 115.26 116.96 2h3i n ASN 131 Ca 0.04 -2.61 0.00 0.00 -0.02 0.00 0.00 54.58 51.99 2h3i n ASN 131 Cb 0.16 0.48 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 2h3i n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23