#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3can n GLY 8 N 0.00 -0.16 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.70 3can n GLY 8 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3can n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3can n GLY 9 N 0.00 -0.20 3.45 -0.02 0.00 -1.26 -4.36 105.19 102.80 3can n GLY 9 Ca 0.00 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 3can n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3can s VAL 10 N -3.40 2.88 -0.04 1.61 0.11 0.03 -4.97 120.40 116.62 3can s VAL 10 Ca 0.00 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 3can s VAL 10 Cb 0.00 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 3can s VAL 10 CO 0.00 0.54 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.30 3can s THR 11 N -0.76 1.05 -0.17 5.04 2.01 -1.26 -1.36 115.64 120.20 3can s THR 11 Ca 0.12 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 3can s THR 11 Cb -0.10 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 3can s THR 11 CO 0.01 0.32 0.05 -0.36 -0.69 0.00 0.00 174.62 173.95 3can s PHE 12 N 0.28 3.23 0.12 4.92 0.08 -0.50 -5.00 117.98 121.11 3can s PHE 12 Ca -0.06 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.08 3can s PHE 12 Cb -0.11 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3can s PHE 12 CO 0.02 0.16 -0.12 0.00 -0.10 0.00 0.00 175.22 175.17 3can n GLY 14 N 0.49 -2.06 0.10 0.00 0.00 -1.26 -4.52 105.19 97.94 3can n GLY 14 Ca -0.15 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 3can n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3can h GLY 15 N -0.02 0.23 0.92 -0.02 0.00 -1.99 -3.39 103.07 98.80 3can h GLY 15 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3can h GLY 15 CO 0.00 0.49 0.13 -2.09 0.00 0.00 0.00 176.54 175.07 3can h GLU 16 N 0.06 0.44 -0.57 4.80 4.57 -2.00 -2.34 114.58 119.54 3can h GLU 16 Ca -0.09 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.11 3can h GLU 16 Cb 1.87 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.35 3can h GLU 16 CO 0.18 0.44 0.38 -1.35 -1.18 0.00 0.00 179.01 177.48 3can h PRO 17 N 0.34 0.35 0.00 0.92 0.11 -1.79 -1.29 132.00 130.64 3can h PRO 17 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3can h PRO 17 Cb 0.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3can h PRO 17 CO -0.01 0.23 0.00 -0.07 -0.21 0.00 0.00 178.00 177.94 3can h LEU 18 N 0.37 0.00 -0.16 2.35 3.38 -1.64 -1.52 115.31 118.09 3can h LEU 18 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3can h LEU 18 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3can h LEU 18 CO -0.07 0.00 -0.05 0.18 0.09 0.00 0.00 178.44 178.59 3can n LEU 19 N -2.34 0.29 -3.05 1.67 4.77 -0.49 -3.84 117.00 114.02 3can n LEU 19 Ca 0.03 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 3can n LEU 19 Cb 0.28 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3can n LEU 19 CO 0.23 0.05 0.05 1.41 -1.33 0.00 0.00 177.39 177.80 3can n HIS 20 N -0.99 3.04 -0.29 -1.77 8.25 -0.57 -4.97 115.22 117.91 3can n HIS 20 Ca 0.17 -3.96 -0.05 0.00 -0.26 0.00 0.00 57.72 53.61 3can n HIS 20 Cb 0.24 -0.48 0.06 0.00 1.12 0.00 0.00 29.99 30.93 3can n HIS 20 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3can h PRO 21 N 3.12 1.12 -0.45 -0.41 0.13 -1.70 0.72 132.00 134.53 3can h PRO 21 Ca 0.13 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 3can h PRO 21 Cb 0.63 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 3can h PRO 21 CO 0.74 0.86 0.18 1.49 -0.23 0.00 0.00 178.00 181.03 3can h GLU 22 N 1.10 0.68 -0.32 0.86 4.57 -1.93 -1.81 114.58 117.73 3can h GLU 22 Ca 0.27 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3can h GLU 22 Cb 0.10 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3can h GLU 22 CO -0.04 0.62 0.21 0.35 -1.18 0.00 0.00 179.01 178.97 3can h PHE 23 N 0.59 0.39 -0.26 0.92 3.57 -1.87 -1.23 116.94 119.05 3can h PHE 23 Ca 0.15 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3can h PHE 23 Cb 0.20 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3can h PHE 23 CO 0.00 0.25 -0.06 1.25 -2.23 0.00 0.00 178.31 177.52 3can h LEU 24 N 0.43 -0.23 -0.86 0.59 5.85 -0.68 -0.45 115.31 119.96 3can h LEU 24 Ca 0.12 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3can h LEU 24 Cb -0.04 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3can h LEU 24 CO -0.03 -0.08 0.42 0.40 -0.34 0.00 0.00 178.44 178.81 3can h ILE 25 N 0.01 1.26 -0.32 4.05 1.08 -1.18 0.31 117.51 122.72 3can h ILE 25 Ca 0.13 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.87 3can h ILE 25 Cb 0.19 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 3can h ILE 25 CO -0.27 0.31 0.19 -0.78 -0.69 0.00 0.00 178.15 176.92 3can h ASP 26 N 1.22 0.39 -0.44 1.72 3.58 -0.62 0.69 116.42 122.96 3can h ASP 26 Ca 0.30 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 3can h ASP 26 Cb 0.11 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3can h ASP 26 CO -0.04 0.33 0.04 0.40 -2.88 0.00 0.00 179.24 177.10 3can h ILE 27 N 0.41 1.25 -0.55 2.25 1.08 -0.75 -1.43 117.51 119.78 3can h ILE 27 Ca 0.11 -0.96 0.05 0.00 -0.39 0.00 0.00 64.86 63.68 3can h ILE 27 Cb 0.02 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 3can h ILE 27 CO -0.02 0.33 0.28 -0.07 -0.69 0.00 0.00 178.15 177.98 3can h LEU 28 N 0.61 0.39 -0.46 1.44 3.38 -0.72 -0.42 115.31 119.53 3can h LEU 28 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3can h LEU 28 Cb 0.43 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3can h LEU 28 CO 0.01 0.26 0.26 0.11 0.09 0.00 0.00 178.44 179.18 3can h LYS 29 N 0.53 0.51 -0.63 1.13 1.57 -0.56 -0.86 116.57 118.27 3can h LYS 29 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3can h LYS 29 Cb 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3can h LYS 29 CO -0.18 0.34 0.40 0.00 -0.57 0.00 0.00 179.45 179.44 3can h ARG 30 N 0.53 0.83 -0.63 3.15 3.08 -0.82 -2.08 114.38 118.44 3can h ARG 30 Ca 0.19 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3can h ARG 30 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3can h ARG 30 CO -0.09 0.57 0.17 0.00 -1.07 0.00 0.00 179.97 179.55 3can h GLY 32 N 1.04 1.16 1.28 0.00 0.00 -0.72 -1.53 103.07 104.30 3can h GLY 32 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3can h GLY 32 CO -0.00 0.45 0.45 1.46 0.00 0.00 0.00 176.54 178.90 3can h GLN 33 N 1.10 0.97 -0.04 4.80 4.20 -1.14 -1.26 115.11 123.74 3can h GLN 33 Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3can h GLN 33 Cb -0.07 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.50 3can h GLN 33 CO -0.06 0.66 0.00 1.04 -0.67 0.00 0.00 178.83 179.81 3can n GLN 34 N -4.40 1.32 -1.45 1.46 1.13 -0.92 -4.92 117.38 109.60 3can n GLN 34 Ca 0.08 -0.47 -0.05 0.00 -1.94 0.00 0.00 57.00 54.61 3can n GLN 34 Cb 0.06 -1.43 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 3can n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3can n GLY 35 N 1.02 0.57 3.73 1.08 0.00 -0.47 -5.01 105.19 106.11 3can n GLY 35 Ca 0.19 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 3can n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3can s ILE 36 N -2.20 5.16 0.33 -0.61 1.01 -0.63 -5.02 121.20 119.24 3can s ILE 36 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 3can s ILE 36 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 3can s ILE 36 CO 0.00 0.33 1.37 -2.28 0.00 0.00 0.00 174.94 174.36 3can s HIS 37 N 0.56 2.93 -0.09 3.97 5.65 -1.26 -4.39 115.29 122.67 3can s HIS 37 Ca 0.27 1.31 0.02 0.00 0.25 0.00 0.00 55.06 56.91 3can s HIS 37 Cb -0.16 -3.78 0.02 0.00 -1.18 0.00 0.00 32.58 27.48 3can s HIS 37 CO 0.11 -2.23 -0.12 1.03 -0.65 0.00 0.00 174.74 172.88 3can s ARG 38 N -1.68 1.82 -0.02 2.88 0.52 -1.26 -0.79 118.95 120.42 3can s ARG 38 Ca 0.51 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 55.36 3can s ARG 38 Cb -0.42 -1.58 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 3can s ARG 38 CO 0.54 -0.05 -0.21 0.00 0.02 0.00 0.00 175.30 175.61 3can s ALA 39 N 0.94 1.71 -0.06 2.13 0.00 -0.46 -1.12 121.76 124.91 3can s ALA 39 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3can s ALA 39 Cb -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3can s ALA 39 CO 0.00 0.41 -0.04 0.08 0.00 0.00 0.00 175.76 176.22 3can s VAL 40 N -0.45 0.54 -0.39 0.00 1.01 -0.72 -1.41 120.40 118.98 3can s VAL 40 Ca 0.07 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 3can s VAL 40 Cb -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3can s VAL 40 CO -0.01 0.24 1.33 -0.62 0.00 0.00 0.00 175.10 176.05 3can s ASP 41 N 1.22 6.50 -0.11 3.32 -1.08 0.11 -1.07 116.67 125.57 3can s ASP 41 Ca -0.06 0.89 0.14 0.00 -0.52 0.00 0.00 52.55 53.01 3can s ASP 41 Cb -0.14 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.24 3can s ASP 41 CO -0.02 -1.28 1.38 0.35 0.52 0.00 0.00 175.17 176.12 3can n THR 42 N 6.74 1.78 -0.22 1.71 -2.24 -0.79 -4.68 114.28 116.59 3can n THR 42 Ca 0.15 -1.50 -0.02 0.00 -2.27 0.00 0.00 64.05 60.42 3can n THR 42 Cb 0.48 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.81 3can n THR 42 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3can h THR 43 N 2.06 0.25 -0.60 4.28 2.02 -1.91 -2.13 112.91 116.88 3can h THR 43 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3can h THR 43 Cb 1.18 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3can h THR 43 CO 0.14 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.21 3can n LEU 44 N -5.45 4.24 -4.66 2.58 4.77 -1.26 -4.41 117.00 112.80 3can n LEU 44 Ca 0.07 -2.14 -0.43 0.00 -0.03 0.00 0.00 56.01 53.49 3can n LEU 44 Cb 0.36 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3can n LEU 44 CO 0.01 0.76 1.19 -0.76 -1.33 0.00 0.00 177.39 177.27 3can s LEU 45 N -1.61 4.25 -0.03 2.23 1.43 -0.80 -4.92 118.68 119.23 3can s LEU 45 Ca 0.46 1.95 -0.21 0.00 -1.03 0.00 0.00 54.13 55.30 3can s LEU 45 Cb 0.29 -3.54 -0.29 0.00 0.03 0.00 0.00 46.19 42.68 3can s LEU 45 CO 0.23 -0.81 0.96 0.00 0.23 0.00 0.00 176.35 176.95 3can h ALA 46 N 8.65 -0.05 -2.83 4.21 0.00 -1.92 -3.46 119.26 123.86 3can h ALA 46 Ca -0.33 -0.66 -0.61 0.00 0.00 0.00 0.00 54.91 53.31 3can h ALA 46 Cb 1.14 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 3can h ALA 46 CO 0.95 0.37 -0.22 1.03 0.00 0.00 0.00 179.25 181.39 3can s ARG 47 N -2.66 4.13 0.40 0.00 3.00 -1.26 -4.98 118.95 117.59 3can s ARG 47 Ca -0.13 0.14 0.06 0.00 0.00 0.00 0.00 55.73 55.80 3can s ARG 47 Cb 0.02 -3.57 0.83 0.00 0.00 0.00 0.00 34.95 32.23 3can s ARG 47 CO 0.83 -0.09 2.05 1.57 0.00 0.00 0.00 175.30 179.65 3can h LYS 48 N 7.57 0.59 -0.15 3.54 2.10 -2.00 -1.32 116.57 126.90 3can h LYS 48 Ca -0.35 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.22 3can h LYS 48 Cb 1.16 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 3can h LYS 48 CO 0.70 0.39 -0.09 1.05 -2.00 0.00 0.00 179.45 179.50 3can h GLU 49 N 0.61 0.23 -0.15 0.07 4.11 -1.99 -1.41 114.58 116.04 3can h GLU 49 Ca 0.17 -0.05 -0.23 0.00 0.07 0.00 0.00 59.36 59.33 3can h GLU 49 Cb -0.04 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3can h GLU 49 CO -0.04 0.34 -0.79 1.15 0.07 0.00 0.00 179.01 179.74 3can h THR 50 N 0.23 1.28 -0.57 -1.06 2.02 -1.67 -1.68 112.91 111.45 3can h THR 50 Ca 0.05 -1.98 0.03 0.00 0.77 0.00 0.00 66.41 65.28 3can h THR 50 Cb 0.31 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 3can h THR 50 CO 0.02 0.63 0.34 0.58 0.37 0.00 0.00 175.52 177.45 3can h VAL 51 N 0.54 1.05 -0.58 3.16 2.07 -1.10 0.31 116.25 121.70 3can h VAL 51 Ca -0.06 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3can h VAL 51 Cb 1.42 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3can h VAL 51 CO 0.16 0.12 0.37 0.44 0.02 0.00 0.00 177.57 178.68 3can h ASP 52 N 0.66 0.68 -0.43 0.57 3.32 -1.16 -2.89 116.42 117.18 3can h ASP 52 Ca 0.23 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 3can h ASP 52 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3can h ASP 52 CO -0.11 0.52 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.66 3can h GLU 53 N 0.79 0.93 -1.76 3.56 4.81 -0.93 -2.26 114.58 119.71 3can h GLU 53 Ca 0.21 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3can h GLU 53 Cb -0.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3can h GLU 53 CO -0.04 1.03 0.00 0.28 -0.73 0.00 0.00 179.01 179.55 3can n VAL 54 N -4.12 0.00 0.00 0.32 0.31 0.07 -2.99 118.33 111.92 3can n VAL 54 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3can n VAL 54 Cb 0.43 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3can n VAL 54 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3can n ARG 56 N 0.94 0.00 -1.09 5.55 1.74 -0.85 -2.41 116.66 120.54 3can n ARG 56 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 3can n ARG 56 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 3can n ARG 56 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3can n ASN 57 N 0.00 1.40 -3.39 0.55 3.02 -1.16 -5.06 115.26 110.62 3can n ASN 57 Ca 0.00 -2.94 -0.09 0.00 -0.03 0.00 0.00 54.58 51.52 3can n ASN 57 Cb 0.00 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.75 3can n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3can n GLU 59 N -0.49 0.67 -3.64 0.00 4.71 -0.27 -4.99 120.64 116.62 3can n GLU 59 Ca -0.05 -0.15 -0.12 0.00 -0.01 0.00 0.00 57.16 56.84 3can n GLU 59 Cb 0.60 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 29.44 3can n GLU 59 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3can s LEU 60 N -4.79 -0.71 0.03 -4.62 2.96 -1.09 -4.69 118.68 105.77 3can s LEU 60 Ca -0.09 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 3can s LEU 60 Cb 0.12 2.35 -0.04 0.00 0.50 0.00 0.00 46.19 49.11 3can s LEU 60 CO 0.89 -0.24 0.13 -0.76 -1.32 0.00 0.00 176.35 175.05 3can s LEU 61 N 0.75 4.06 -0.11 -0.68 1.43 -0.77 -1.76 118.68 121.59 3can s LEU 61 Ca -0.03 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3can s LEU 61 Cb -0.05 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3can s LEU 61 CO -0.05 0.22 -0.23 -0.76 0.23 0.00 0.00 176.35 175.76 3can s LEU 62 N -2.10 2.09 -0.03 1.79 1.43 -0.23 -0.83 118.68 120.79 3can s LEU 62 Ca 0.28 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3can s LEU 62 Cb -0.12 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3can s LEU 62 CO 0.20 0.14 -0.07 -0.63 0.23 0.00 0.00 176.35 176.22 3can s ILE 63 N 0.48 0.66 0.06 -0.59 1.01 -0.35 -1.88 121.20 120.59 3can s ILE 63 Ca -0.16 -0.26 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3can s ILE 63 Cb -0.17 -0.62 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 3can s ILE 63 CO 0.06 0.23 0.75 -1.81 0.00 0.00 0.00 174.94 174.17 3can s ASP 64 N 0.46 7.22 -0.62 3.58 1.01 -1.26 -1.31 116.67 125.75 3can s ASP 64 Ca -0.07 1.46 0.04 0.00 0.71 0.00 0.00 52.55 54.70 3can s ASP 64 Cb -0.11 -2.46 0.16 0.00 1.01 0.00 0.00 42.92 41.52 3can s ASP 64 CO 0.01 0.06 0.42 -0.22 0.21 0.00 0.00 175.17 175.64 3can s LEU 65 N -0.27 4.23 0.31 1.23 2.96 0.06 -4.90 118.68 122.30 3can s LEU 65 Ca 0.37 -3.53 0.17 0.00 -0.22 0.00 0.00 54.13 50.92 3can s LEU 65 Cb -0.21 -1.47 0.15 0.00 0.50 0.00 0.00 46.19 45.16 3can s LEU 65 CO 0.23 -0.13 1.49 0.11 -1.32 0.00 0.00 176.35 176.73 3can h LYS 66 N 5.73 0.00 0.00 1.98 1.57 -1.93 -3.42 116.57 120.50 3can h LYS 66 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3can h LYS 66 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3can h LYS 66 CO 0.66 0.41 0.00 0.45 -0.57 0.00 0.00 179.45 180.40 3can n SER 67 N -3.21 0.00 -0.72 0.86 2.88 -1.26 -4.79 113.62 107.38 3can n SER 67 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3can n SER 67 Cb 0.69 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 3can n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3can n ASP 69 N 0.00 -0.15 0.25 -3.46 -0.08 -1.26 -4.81 116.55 107.03 3can n ASP 69 Ca 0.00 0.35 0.08 0.00 -1.51 0.00 0.00 54.79 53.71 3can n ASP 69 Cb 0.00 -0.52 0.62 0.00 2.34 0.00 0.00 41.12 43.55 3can n ASP 69 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3can h SER 70 N 3.33 0.00 -0.25 1.67 0.87 -1.98 -0.81 113.55 116.38 3can h SER 70 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3can h SER 70 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3can h SER 70 CO 0.00 0.10 -0.20 0.74 -0.53 0.00 0.00 176.83 176.94 3can h THR 71 N 0.00 1.31 -0.39 2.23 2.02 -1.97 0.13 112.91 116.24 3can h THR 71 Ca -0.00 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 65.85 3can h THR 71 Cb 0.19 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3can h THR 71 CO 0.01 0.42 0.23 0.58 0.37 0.00 0.00 175.52 177.13 3can h VAL 72 N 0.29 1.04 -0.73 3.16 2.07 -1.84 -1.38 116.25 118.86 3can h VAL 72 Ca 0.05 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3can h VAL 72 Cb 0.74 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3can h VAL 72 CO 0.05 0.08 0.48 -0.74 0.02 0.00 0.00 177.57 177.47 3can h HIS 73 N 0.46 0.93 -0.59 1.57 6.17 -0.95 -1.92 115.15 120.83 3can h HIS 73 Ca 0.16 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.17 3can h HIS 73 Cb 0.01 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.60 3can h HIS 73 CO -0.07 0.59 0.05 0.37 0.71 0.00 0.00 177.93 179.58 3can h GLN 74 N 1.00 0.99 -0.59 5.26 5.75 -0.49 0.31 115.11 127.34 3can h GLN 74 Ca 0.27 -0.27 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3can h GLN 74 Cb -0.10 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 3can h GLN 74 CO -0.06 0.94 0.17 1.15 -2.65 0.00 0.00 178.83 178.39 3can h THR 75 N 0.92 1.24 0.00 2.39 2.02 -0.80 -0.17 112.91 118.51 3can h THR 75 Ca 0.18 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3can h THR 75 Cb 0.47 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3can h THR 75 CO 0.02 0.32 -1.65 0.49 0.37 0.00 0.00 175.52 175.06 3can n PHE 76 N -4.40 0.05 -0.03 3.16 3.72 -0.76 -4.50 117.46 114.71 3can n PHE 76 Ca 0.03 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3can n PHE 76 Cb 0.21 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3can n PHE 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3can n ASP 78 N -0.51 -5.46 -3.73 0.00 8.00 -0.08 -4.96 116.55 109.82 3can n ASP 78 Ca 0.00 0.39 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 3can n ASP 78 Cb 0.01 -4.67 -0.09 0.00 -0.02 0.00 0.00 41.12 36.34 3can n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3can s VAL 79 N -2.79 0.02 0.96 2.53 0.11 -1.25 -5.00 120.40 114.98 3can s VAL 79 Ca 0.00 -0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 3can s VAL 79 Cb 0.00 -0.60 0.17 0.00 -1.53 0.00 0.00 36.38 34.42 3can s VAL 79 CO 0.00 -0.08 1.09 -2.16 -3.33 0.00 0.00 175.10 170.62 3can s PRO 80 N -0.35 0.72 0.00 1.54 0.04 -1.26 -2.62 135.00 133.07 3can s PRO 80 Ca -0.05 0.63 0.26 0.00 0.04 0.00 0.00 61.00 61.89 3can s PRO 80 Cb -0.03 -1.76 0.68 0.00 0.04 0.00 0.00 34.50 33.43 3can s PRO 80 CO 0.02 -2.56 1.53 0.27 0.04 0.00 0.00 177.00 176.30 3can n ASN 81 N -4.08 1.79 -0.17 6.66 0.23 -1.26 -4.46 115.26 113.97 3can n ASN 81 Ca 0.06 -1.48 -0.02 0.00 -0.53 0.00 0.00 54.58 52.61 3can n ASN 81 Cb 0.56 0.08 0.07 0.00 -2.08 0.00 0.00 39.78 38.42 3can n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3can h GLU 82 N 2.64 0.31 -0.51 -3.83 3.07 -1.96 -0.92 114.58 113.37 3can h GLU 82 Ca 0.00 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 3can h GLU 82 Cb 0.64 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3can h GLU 82 CO 0.00 0.20 -0.10 1.25 -1.40 0.00 0.00 179.01 178.97 3can h LEU 83 N 0.32 0.94 -0.43 1.33 5.85 -1.96 -1.87 115.31 119.49 3can h LEU 83 Ca 0.26 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3can h LEU 83 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3can h LEU 83 CO -0.29 1.05 0.26 0.40 -0.34 0.00 0.00 178.44 179.52 3can h ILE 84 N 0.85 1.05 -0.56 4.05 5.03 -1.52 -0.32 117.51 126.09 3can h ILE 84 Ca 0.14 -0.18 -0.10 0.00 -0.12 0.00 0.00 64.86 64.60 3can h ILE 84 Cb 0.63 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 34.89 3can h ILE 84 CO 0.04 0.10 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.50 3can h LEU 85 N 0.53 1.00 -0.58 1.44 3.38 -1.07 -1.86 115.31 118.14 3can h LEU 85 Ca 0.17 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3can h LEU 85 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3can h LEU 85 CO -0.07 1.08 0.35 0.50 0.09 0.00 0.00 178.44 180.39 3can h LYS 86 N 0.89 0.66 -0.66 1.13 3.64 -1.02 -1.76 116.57 119.45 3can h LYS 86 Ca 0.15 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3can h LYS 86 Cb 0.59 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3can h LYS 86 CO 0.04 0.44 0.11 -0.91 -2.27 0.00 0.00 179.45 176.85 3can h ASN 87 N 0.68 1.03 -0.38 4.20 2.35 -0.78 0.14 115.58 122.82 3can h ASN 87 Ca 0.24 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3can h ASN 87 Cb 0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3can h ASN 87 CO -0.11 1.02 0.11 0.40 -1.65 0.00 0.00 177.43 177.20 3can h ILE 88 N 1.01 1.22 -0.85 2.81 2.04 -1.19 -1.65 117.51 120.90 3can h ILE 88 Ca 0.20 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3can h ILE 88 Cb 0.42 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3can h ILE 88 CO 0.01 0.25 0.52 -0.09 0.00 0.00 0.00 178.15 178.84 3can h ARG 89 N 0.47 1.14 -0.50 2.37 2.43 -0.99 -1.51 114.38 117.79 3can h ARG 89 Ca 0.12 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3can h ARG 89 Cb 0.27 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3can h ARG 89 CO -0.00 0.80 0.22 -0.09 -1.51 0.00 0.00 179.97 179.38 3can h ARG 90 N 1.16 0.74 -0.51 0.20 2.43 -0.66 0.39 114.38 118.13 3can h ARG 90 Ca 0.30 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3can h ARG 90 Cb -0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3can h ARG 90 CO -0.06 0.64 0.11 -0.24 -1.51 0.00 0.00 179.97 178.92 3can h VAL 91 N 0.67 1.24 -0.60 0.20 3.04 -1.12 -1.61 116.25 118.07 3can h VAL 91 Ca 0.17 -0.88 0.01 0.00 -1.01 0.00 0.00 66.70 64.99 3can h VAL 91 Cb 0.17 0.83 -0.03 0.00 -2.01 0.00 0.00 31.29 30.25 3can h VAL 91 CO -0.02 0.32 0.39 0.00 -1.01 0.00 0.00 177.57 177.25 3can h ALA 92 N 0.99 0.77 0.00 3.17 0.00 -0.97 -2.45 119.26 120.77 3can h ALA 92 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3can h ALA 92 Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3can h ALA 92 CO 0.00 0.18 -0.16 0.93 0.00 0.00 0.00 179.25 180.21 3can h GLU 93 N 0.80 0.00 -0.00 0.00 5.08 -0.73 -1.96 114.58 117.77 3can h GLU 93 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3can h GLU 93 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3can h GLU 93 CO -0.06 0.16 -0.00 0.00 -1.00 0.00 0.00 179.01 178.11 3can n ALA 94 N -2.21 2.60 -3.73 3.43 0.00 -0.62 -4.93 120.51 115.05 3can n ALA 94 Ca -0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 3can n ALA 94 Cb 0.36 -1.50 0.04 0.00 0.00 0.00 0.00 19.45 18.34 3can n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3can n ASP 95 N -1.11 -2.32 -4.36 0.00 2.03 -0.74 -5.00 116.55 105.06 3can n ASP 95 Ca 0.20 -0.78 -0.31 0.00 0.52 0.00 0.00 54.79 54.41 3can n ASP 95 Cb 0.17 -4.14 -0.15 0.00 -0.72 0.00 0.00 41.12 36.28 3can n ASP 95 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3can s PHE 96 N -3.55 2.42 0.23 -0.67 5.36 -1.15 -5.08 117.98 115.54 3can s PHE 96 Ca 0.18 -0.37 -0.30 0.00 -0.96 0.00 0.00 56.93 55.48 3can s PHE 96 Cb -0.09 -1.51 -0.10 0.00 -0.34 0.00 0.00 43.02 40.98 3can s PHE 96 CO 0.81 0.05 1.46 -1.25 -1.46 0.00 0.00 175.22 174.82 3can s PRO 97 N -0.78 4.26 0.02 10.12 0.05 -1.26 -4.68 135.00 142.73 3can s PRO 97 Ca 0.11 2.30 -0.08 0.00 0.05 0.00 0.00 61.00 63.38 3can s PRO 97 Cb -0.10 -3.12 -0.00 0.00 0.05 0.00 0.00 34.50 31.33 3can s PRO 97 CO 0.00 -0.45 0.15 1.52 0.05 0.00 0.00 177.00 178.27 3can s TYR 98 N 0.19 0.09 0.02 0.56 -0.85 -1.26 -1.85 117.35 114.26 3can s TYR 98 Ca 0.61 -0.28 0.03 0.00 -0.52 0.00 0.00 57.07 56.91 3can s TYR 98 Cb -0.42 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 3can s TYR 98 CO 0.41 -0.36 -0.05 0.71 -1.52 0.00 0.00 175.55 174.75 3can s TYR 99 N -2.12 2.92 -0.14 -3.49 1.51 -0.01 -0.26 117.35 115.75 3can s TYR 99 Ca -0.09 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3can s TYR 99 Cb -0.04 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 3can s TYR 99 CO -0.02 0.41 -0.05 0.42 -1.11 0.00 0.00 175.55 175.20 3can s ILE 100 N -1.08 3.77 -0.12 2.71 -1.09 -0.88 -1.21 121.20 123.31 3can s ILE 100 Ca 0.19 -0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 58.20 3can s ILE 100 Cb -0.11 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 3can s ILE 100 CO 0.10 0.51 -0.10 -0.13 -1.23 0.00 0.00 174.94 174.08 3can s ARG 101 N 0.26 3.28 -0.32 2.79 3.00 -0.43 -0.43 118.95 127.11 3can s ARG 101 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 55.73 55.08 3can s ARG 101 Cb -0.14 -2.66 0.10 0.00 0.00 0.00 0.00 34.95 32.24 3can s ARG 101 CO 0.03 0.32 0.06 0.42 0.00 0.00 0.00 175.30 176.13 3can s ILE 102 N 0.10 1.78 -0.04 1.52 1.01 0.08 -0.76 121.20 124.89 3can s ILE 102 Ca -0.04 -1.98 -0.30 0.00 0.00 0.00 0.00 60.65 58.33 3can s ILE 102 Cb -0.14 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 3can s ILE 102 CO 0.04 -0.60 1.73 -2.84 0.00 0.00 0.00 174.94 173.27 3can s PRO 103 N 1.16 4.15 -0.35 2.79 0.02 -1.26 -1.10 135.00 140.41 3can s PRO 103 Ca 0.10 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.28 3can s PRO 103 Cb -0.18 -4.03 0.01 0.00 0.02 0.00 0.00 34.50 30.32 3can s PRO 103 CO -0.14 -0.90 0.19 -1.17 -0.33 0.00 0.00 177.00 174.65 3can s LEU 104 N 4.23 4.49 -0.19 -5.54 2.96 0.11 -4.88 118.68 119.86 3can s LEU 104 Ca 0.77 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3can s LEU 104 Cb -0.35 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.36 3can s LEU 104 CO 0.32 -0.31 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.34 3can s ILE 105 N 1.58 1.42 0.07 6.68 1.01 -1.26 -0.98 121.20 129.72 3can s ILE 105 Ca 0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.47 3can s ILE 105 Cb -0.18 -1.57 -0.08 0.00 0.01 0.00 0.00 42.46 40.64 3can s ILE 105 CO 0.07 0.11 1.65 -0.70 0.00 0.00 0.00 174.94 176.07 3can s GLU 106 N 1.49 4.20 0.00 2.79 2.56 -0.37 -1.46 118.70 127.90 3can s GLU 106 Ca -0.01 2.33 0.00 0.00 0.00 0.00 0.00 54.97 57.28 3can s GLU 106 Cb -0.16 -3.60 0.00 0.00 2.00 0.00 0.00 34.13 32.36 3can s GLU 106 CO -0.08 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.30 3can n GLY 107 N 3.99 0.55 1.04 -1.50 0.00 -1.26 -1.88 105.19 106.14 3can n GLY 107 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3can n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3can n VAL 108 N -1.85 0.09 -1.64 1.61 0.31 -0.54 -4.46 118.33 111.85 3can n VAL 108 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3can n VAL 108 Cb 0.00 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 3can n VAL 108 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3can n ASN 109 N -3.02 0.00 -0.96 4.52 0.23 -0.80 -4.88 115.26 110.35 3can n ASN 109 Ca 0.00 -1.10 0.10 0.00 -0.53 0.00 0.00 54.58 53.05 3can n ASN 109 Cb 0.44 -0.02 0.27 0.00 -2.08 0.00 0.00 39.78 38.39 3can n ASN 109 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3can n ALA 110 N 0.00 2.44 -1.77 -2.53 0.00 -1.19 -4.52 120.51 112.95 3can n ALA 110 Ca 0.00 -0.87 -0.37 0.00 0.00 0.00 0.00 53.44 52.20 3can n ALA 110 Cb 0.52 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 3can n ALA 110 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3can s ASP 111 N -1.33 6.04 0.27 0.00 -4.77 -1.26 -4.90 116.67 110.72 3can s ASP 111 Ca 0.37 2.39 -0.00 0.00 -3.30 0.00 0.00 52.55 52.01 3can s ASP 111 Cb 0.20 -2.61 0.52 0.00 -1.09 0.00 0.00 42.92 39.95 3can s ASP 111 CO 0.28 -1.02 1.82 -0.08 0.70 0.00 0.00 175.17 176.87 3can h GLU 112 N 1.98 0.88 0.13 2.11 4.81 -1.99 -2.16 114.58 120.34 3can h GLU 112 Ca -0.50 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3can h GLU 112 Cb 1.26 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3can h GLU 112 CO 0.60 0.58 -0.16 -0.22 -0.73 0.00 0.00 179.01 179.08 3can h LYS 113 N 0.90 -0.32 -0.74 1.92 3.64 -1.97 0.68 116.57 120.68 3can h LYS 113 Ca 0.48 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 3can h LYS 113 Cb 0.49 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3can h LYS 113 CO -0.28 -0.21 0.43 -0.97 -2.27 0.00 0.00 179.45 176.15 3can h ASN 114 N -0.33 0.91 -0.37 4.20 -1.24 -1.73 -0.11 115.58 116.91 3can h ASN 114 Ca 0.01 -0.08 -0.15 0.00 0.71 0.00 0.00 56.30 56.79 3can h ASN 114 Cb 0.33 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 3can h ASN 114 CO -0.06 0.72 -0.33 0.40 -1.29 0.00 0.00 177.43 176.87 3can h ILE 115 N 1.02 1.27 -0.48 2.57 1.08 -1.23 -0.22 117.51 121.52 3can h ILE 115 Ca 0.26 -1.50 -0.04 0.00 -0.39 0.00 0.00 64.86 63.20 3can h ILE 115 Cb -0.00 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3can h ILE 115 CO -0.05 0.50 0.14 0.11 -0.69 0.00 0.00 178.15 178.17 3can h LYS 116 N 0.76 0.75 -0.82 2.37 1.57 -0.60 -0.20 116.57 120.39 3can h LYS 116 Ca 0.08 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3can h LYS 116 Cb 0.91 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3can h LYS 116 CO 0.08 0.72 0.38 -0.07 -0.57 0.00 0.00 179.45 179.99 3can h LEU 117 N 0.64 1.09 -0.29 2.94 3.38 -0.86 0.22 115.31 122.42 3can h LEU 117 Ca 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3can h LEU 117 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3can h LEU 117 CO -0.00 0.93 0.17 0.28 0.09 0.00 0.00 178.44 179.91 3can h SER 118 N 1.18 0.36 -0.56 -0.43 0.02 -0.83 -1.37 113.55 111.91 3can h SER 118 Ca 0.28 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3can h SER 118 Cb 0.14 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3can h SER 118 CO -0.03 0.31 0.26 0.00 -1.14 0.00 0.00 176.83 176.23 3can h ALA 119 N 1.06 0.73 -0.72 3.77 0.00 -0.56 -1.42 119.26 122.12 3can h ALA 119 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3can h ALA 119 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3can h ALA 119 CO -0.02 0.30 0.22 0.93 0.00 0.00 0.00 179.25 180.69 3can h GLU 120 N 0.76 1.12 0.32 0.00 5.08 -0.82 0.18 114.58 121.22 3can h GLU 120 Ca 0.19 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3can h GLU 120 Cb 0.14 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3can h GLU 120 CO -0.02 0.95 -0.16 0.35 -1.00 0.00 0.00 179.01 179.13 3can h PHE 121 N 1.07 -0.40 -0.53 4.33 3.57 -1.05 -2.79 116.94 121.15 3can h PHE 121 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3can h PHE 121 Cb 0.30 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3can h PHE 121 CO 0.02 -0.16 0.13 -0.07 -2.23 0.00 0.00 178.31 176.00 3can h LEU 122 N -0.58 0.80 -1.79 0.59 3.38 -1.08 -2.65 115.31 113.98 3can h LEU 122 Ca -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3can h LEU 122 Cb 0.43 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3can h LEU 122 CO 0.07 0.83 -0.11 0.00 0.09 0.00 0.00 178.44 179.32 3can h ALA 123 N 1.00 1.79 0.00 1.53 0.00 -0.69 -2.31 119.26 120.58 3can h ALA 123 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3can h ALA 123 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3can h ALA 123 CO 0.00 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 3can n SER 124 N -4.37 0.77 -4.79 0.00 3.41 -1.00 -4.85 113.62 102.78 3can n SER 124 Ca -0.03 0.61 -0.35 0.00 -0.26 0.00 0.00 58.87 58.85 3can n SER 124 Cb 0.19 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 3can n SER 124 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3can s LEU 125 N -4.54 3.93 0.52 1.04 1.43 -0.87 -4.95 118.68 115.24 3can s LEU 125 Ca 0.08 1.95 0.29 0.00 -1.03 0.00 0.00 54.13 55.43 3can s LEU 125 Cb 0.11 -4.45 1.38 0.00 0.03 0.00 0.00 46.19 43.26 3can s LEU 125 CO 0.52 -0.69 2.01 1.55 0.23 0.00 0.00 176.35 179.98 3can h PRO 126 N 1.83 0.00 -4.47 1.29 0.13 -1.88 -3.38 132.00 125.52 3can h PRO 126 Ca -0.49 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 3can h PRO 126 Cb 1.22 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.00 3can h PRO 126 CO 0.60 0.12 -0.81 0.50 -0.23 0.00 0.00 178.00 178.17 3can s ARG 127 N -3.93 1.67 0.66 0.86 3.52 -1.25 -5.04 118.95 115.43 3can s ARG 127 Ca -0.01 -0.38 -0.10 0.00 -0.13 0.00 0.00 55.73 55.11 3can s ARG 127 Cb 0.11 -1.47 -0.00 0.00 -1.56 0.00 0.00 34.95 32.04 3can s ARG 127 CO 0.57 -0.05 1.04 -1.01 -0.81 0.00 0.00 175.30 175.04 3can s HIS 128 N 0.95 3.41 0.60 5.12 3.76 -1.26 -4.74 115.29 123.13 3can s HIS 128 Ca -0.09 1.06 -0.19 0.00 -0.15 0.00 0.00 55.06 55.69 3can s HIS 128 Cb -0.15 -2.90 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 3can s HIS 128 CO 0.00 -0.97 1.25 -1.25 -0.85 0.00 0.00 174.74 172.92 3can s PRO 129 N -5.24 2.87 0.25 8.40 0.04 -1.26 -4.80 135.00 135.26 3can s PRO 129 Ca 0.56 1.93 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 3can s PRO 129 Cb -0.11 -1.94 0.36 0.00 0.04 0.00 0.00 34.50 32.85 3can s PRO 129 CO 0.51 -1.31 1.85 0.93 0.04 0.00 0.00 177.00 179.03 3can h GLU 130 N 0.86 0.96 -2.29 4.56 4.39 -1.01 -3.44 114.58 118.61 3can h GLU 130 Ca -0.51 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 3can h GLU 130 Cb 1.31 -0.22 -0.18 0.00 -0.10 0.00 0.00 28.75 29.56 3can h GLU 130 CO 0.55 0.64 0.13 -1.50 -1.16 0.00 0.00 179.01 177.66 3can s ILE 131 N -6.05 0.01 -0.26 3.13 1.10 -1.26 -4.82 121.20 113.05 3can s ILE 131 Ca -0.13 -0.08 -0.05 0.00 -0.51 0.00 0.00 60.65 59.89 3can s ILE 131 Cb 0.19 -0.96 0.00 0.00 0.15 0.00 0.00 42.46 41.85 3can s ILE 131 CO 0.79 -0.04 0.01 -0.63 -2.11 0.00 0.00 174.94 172.96 3can s ILE 132 N -1.59 3.59 -0.39 2.00 1.01 0.61 -2.07 121.20 124.36 3can s ILE 132 Ca -0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 3can s ILE 132 Cb -0.01 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.70 3can s ILE 132 CO 0.06 0.22 0.48 0.20 0.00 0.00 0.00 174.94 175.91 3can s ASN 133 N 1.47 6.25 -0.27 3.58 0.01 0.43 -1.18 114.94 125.22 3can s ASN 133 Ca 0.03 -0.37 -0.22 0.00 -0.71 0.00 0.00 52.86 51.59 3can s ASN 133 Cb -0.16 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3can s ASN 133 CO -0.01 -0.55 0.71 -0.76 -1.51 0.00 0.00 177.10 174.99 3can s LEU 134 N 2.31 4.08 -0.57 0.60 1.43 0.17 -0.74 118.68 125.96 3can s LEU 134 Ca 0.16 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 3can s LEU 134 Cb -0.16 -2.98 0.15 0.00 0.03 0.00 0.00 46.19 43.23 3can s LEU 134 CO 0.14 -0.47 0.39 -0.76 0.23 0.00 0.00 176.35 175.88 3can s LEU 135 N 2.70 5.29 0.32 1.79 1.43 -0.25 -0.10 118.68 129.86 3can s LEU 135 Ca 0.30 -2.63 -0.29 0.00 -1.03 0.00 0.00 54.13 50.48 3can s LEU 135 Cb -0.15 -1.86 -0.12 0.00 0.03 0.00 0.00 46.19 44.09 3can s LEU 135 CO 0.09 -0.43 1.53 -2.65 0.23 0.00 0.00 176.35 175.13 3can n PRO 136 N 3.81 2.61 -2.12 1.29 -0.02 -1.26 -0.71 135.00 138.59 3can n PRO 136 Ca 0.05 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 3can n PRO 136 Cb 0.39 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3can n PRO 136 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3can s TYR 137 N -0.40 3.17 -0.11 6.00 5.04 -0.15 -4.82 117.35 126.08 3can s TYR 137 Ca 0.61 1.02 -0.01 0.00 -2.44 0.00 0.00 57.07 56.25 3can s TYR 137 Cb -0.51 -3.72 0.03 0.00 0.35 0.00 0.00 41.96 38.11 3can s TYR 137 CO 0.54 -2.42 -0.06 -1.01 -1.34 0.00 0.00 175.55 171.26 3can s HIS 138 N 0.50 1.34 0.00 4.97 3.76 -1.26 -3.78 115.29 120.82 3can s HIS 138 Ca 0.61 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3can s HIS 138 Cb -0.39 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.15 3can s HIS 138 CO 0.36 -0.48 0.00 -0.25 -0.85 0.00 0.00 174.74 173.52 3can n ASP 139 N 4.98 0.00 -2.60 1.40 10.43 -1.26 -5.09 116.55 124.41 3can n ASP 139 Ca -0.11 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.25 3can n ASP 139 Cb 0.50 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.46 3can n ASP 139 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 3can n LYS 158 N 0.00 2.30 0.00 -1.24 2.85 -1.26 -5.09 118.16 115.72 3can n LYS 158 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3can n LYS 158 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3can n LYS 158 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3can n GLN 160 N 0.00 0.00 -2.10 -1.58 6.02 -0.79 -4.15 117.38 114.78 3can n GLN 160 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3can n GLN 160 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3can n GLN 160 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3can s THR 161 N -2.00 3.19 0.38 5.09 2.01 -1.25 -1.24 115.64 121.82 3can s THR 161 Ca 0.00 0.80 -0.27 0.00 0.31 0.00 0.00 61.69 62.53 3can s THR 161 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 3can s THR 161 CO 0.00 0.04 1.25 -2.16 -0.69 0.00 0.00 174.62 173.07 3can s PRO 162 N 1.51 4.14 0.89 4.92 0.04 -1.26 -4.74 135.00 140.49 3can s PRO 162 Ca 0.67 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.65 3can s PRO 162 Cb -0.38 -2.84 0.12 0.00 0.04 0.00 0.00 34.50 31.44 3can s PRO 162 CO 0.30 -0.32 1.09 -1.13 0.04 0.00 0.00 177.00 176.98 3can n SER 163 N 0.36 0.31 -0.27 6.66 3.41 -1.26 -4.73 113.62 118.10 3can n SER 163 Ca 0.03 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 3can n SER 163 Cb 0.44 -1.46 0.33 0.00 -0.26 0.00 0.00 64.21 63.26 3can n SER 163 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3can h GLU 164 N -1.55 0.78 -0.20 4.33 4.81 -1.99 -0.76 114.58 119.99 3can h GLU 164 Ca -0.44 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3can h GLU 164 Cb 1.28 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3can h GLU 164 CO 0.42 0.52 0.08 1.49 -0.73 0.00 0.00 179.01 180.78 3can h GLU 165 N 0.81 0.31 -0.37 1.92 4.81 -1.99 -1.61 114.58 118.44 3can h GLU 165 Ca 0.41 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 3can h GLU 165 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3can h GLU 165 CO -0.18 0.37 0.16 0.28 -0.73 0.00 0.00 179.01 178.91 3can h VAL 166 N 0.17 1.19 -0.46 0.32 2.07 -1.78 -0.70 116.25 117.05 3can h VAL 166 Ca 0.07 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3can h VAL 166 Cb 0.19 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 3can h VAL 166 CO -0.00 0.20 0.08 1.56 0.02 0.00 0.00 177.57 179.42 3can h GLN 167 N 0.46 0.20 -0.21 1.57 4.20 -1.02 0.18 115.11 120.49 3can h GLN 167 Ca 0.13 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 3can h GLN 167 Cb 0.17 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3can h GLN 167 CO -0.01 0.13 -0.42 1.96 -0.67 0.00 0.00 178.83 179.82 3can h GLN 168 N 0.20 0.49 -0.93 1.46 1.08 -1.14 -1.71 115.11 114.57 3can h GLN 168 Ca 0.23 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3can h GLN 168 Cb 0.31 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 3can h GLN 168 CO -0.32 0.82 0.56 1.96 -0.95 0.00 0.00 178.83 180.91 3can h GLN 169 N 0.40 1.25 -0.45 1.46 4.20 -0.46 -0.02 115.11 121.49 3can h GLN 169 Ca 0.03 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3can h GLN 169 Cb 0.90 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3can h GLN 169 CO 0.08 0.87 -0.01 0.00 -0.67 0.00 0.00 178.83 179.10 3can h ILE 171 N 0.66 1.19 -0.50 0.00 1.08 -1.07 -2.36 117.51 116.50 3can h ILE 171 Ca 0.13 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3can h ILE 171 Cb 0.51 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3can h ILE 171 CO 0.03 0.18 0.26 -0.61 -0.69 0.00 0.00 178.15 177.32 3can h GLN 172 N 0.94 0.70 -0.02 2.37 5.75 -0.72 -1.11 115.11 123.02 3can h GLN 172 Ca 0.25 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 3can h GLN 172 Cb -0.09 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 3can h GLN 172 CO -0.05 0.56 -0.09 0.82 -2.65 0.00 0.00 178.83 177.43 3can h ILE 173 N 0.66 0.77 -0.71 2.39 2.04 -1.09 0.23 117.51 121.80 3can h ILE 173 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 3can h ILE 173 Cb 0.08 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3can h ILE 173 CO -0.03 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.47 3can h LEU 174 N -0.14 0.86 -0.69 1.44 3.38 -1.28 -2.19 115.31 116.70 3can h LEU 174 Ca 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3can h LEU 174 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3can h LEU 174 CO -0.11 0.68 0.39 0.74 0.09 0.00 0.00 178.44 180.24 3can h THR 175 N 0.97 1.21 -0.06 0.22 2.02 -0.90 -1.81 112.91 114.56 3can h THR 175 Ca 0.25 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3can h THR 175 Cb -0.01 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3can h THR 175 CO -0.05 0.22 0.04 0.44 0.37 0.00 0.00 175.52 176.55 3can h ASP 176 N 0.94 0.00 -0.30 4.18 3.32 0.06 -0.65 116.42 123.96 3can h ASP 176 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3can h ASP 176 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3can h ASP 176 CO -0.04 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.26 3can n TYR 177 N -4.43 0.40 -0.91 4.55 4.02 -0.93 -4.92 117.16 114.94 3can n TYR 177 Ca -0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3can n TYR 177 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3can n TYR 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3can n GLY 178 N 1.11 0.48 3.84 2.72 0.00 -0.25 -4.82 105.19 108.28 3can n GLY 178 Ca 0.14 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 3can n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3can s LEU 179 N 0.00 3.97 -0.26 0.99 1.43 -0.73 -5.01 118.68 119.07 3can s LEU 179 Ca 0.00 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 3can s LEU 179 Cb 0.00 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3can s LEU 179 CO 0.00 0.06 0.32 -0.54 0.23 0.00 0.00 176.35 176.42 3can s LYS 180 N -3.18 4.03 0.04 1.70 1.02 -1.26 -3.82 119.74 118.26 3can s LYS 180 Ca 0.32 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.28 3can s LYS 180 Cb -0.10 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3can s LYS 180 CO 0.25 -0.20 -0.05 0.00 -0.92 0.00 0.00 175.35 174.43 3can s ALA 181 N 1.83 0.40 0.12 5.17 0.00 -1.26 -0.29 121.76 127.73 3can s ALA 181 Ca 0.13 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 3can s ALA 181 Cb -0.15 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3can s ALA 181 CO 0.09 -0.14 0.31 -0.08 0.00 0.00 0.00 175.76 175.94 3can s THR 182 N -1.87 0.10 -0.11 0.00 -1.32 -0.33 -4.92 115.64 107.18 3can s THR 182 Ca -0.09 -0.92 -0.17 0.00 -1.21 0.00 0.00 61.69 59.30 3can s THR 182 Cb -0.07 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.55 3can s THR 182 CO -0.02 -0.44 0.43 -0.63 -2.21 0.00 0.00 174.62 171.75 3can s ILE 183 N -3.85 5.20 0.00 5.08 -1.09 -1.26 -0.65 121.20 124.62 3can s ILE 183 Ca 0.06 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 3can s ILE 183 Cb 0.03 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3can s ILE 183 CO -0.10 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 3can n GLY 184 N 3.14 -0.21 0.00 6.18 0.00 0.86 -4.89 105.19 110.26 3can n GLY 184 Ca -0.09 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.29 3can n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93