#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zet s LEU 5 N 0.00 3.84 -0.32 0.55 2.96 -1.26 -5.09 118.68 119.36 2zet s LEU 5 Ca 0.00 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2zet s LEU 5 Cb 0.00 -3.09 0.12 0.00 0.50 0.00 0.00 46.19 43.72 2zet s LEU 5 CO 0.00 -0.52 0.17 -1.81 -1.32 0.00 0.00 176.35 172.87 2zet s ASP 6 N -4.15 3.31 -0.83 3.68 -0.00 -1.26 -4.89 116.67 112.52 2zet s ASP 6 Ca 0.45 -1.75 -0.01 0.00 -0.00 0.00 0.00 52.55 51.24 2zet s ASP 6 Cb -0.10 -0.42 0.35 0.00 -0.00 0.00 0.00 42.92 42.76 2zet s ASP 6 CO 0.36 -0.38 1.92 0.18 -0.00 0.00 0.00 175.17 177.25 2zet n LEU 7 N 4.64 7.25 -0.07 1.23 4.77 -1.26 -4.10 117.00 129.45 2zet n LEU 7 Ca 0.03 -4.95 -0.08 0.00 -0.03 0.00 0.00 56.01 50.98 2zet n LEU 7 Cb 0.40 -1.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.36 2zet n LEU 7 CO 0.09 1.84 -0.99 -1.54 -1.33 0.00 0.00 177.39 175.46 2zet n SER 8 N -0.48 1.73 0.25 -1.43 3.41 -1.26 -4.29 113.62 111.56 2zet n SER 8 Ca 0.52 -0.02 0.08 0.00 -0.26 0.00 0.00 58.87 59.19 2zet n SER 8 Cb 0.27 0.60 0.64 0.00 -0.26 0.00 0.00 64.21 65.46 2zet n SER 8 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2zet h THR 9 N 0.00 0.95 -3.34 6.66 2.02 -2.02 -3.42 112.91 113.76 2zet h THR 9 Ca -0.39 -0.26 -0.52 0.00 0.77 0.00 0.00 66.41 66.00 2zet h THR 9 Cb 1.82 1.14 0.03 0.00 -1.74 0.00 0.00 68.15 69.41 2zet h THR 9 CO 0.00 0.07 0.65 -0.76 0.37 0.00 0.00 175.52 175.86 2zet s LEU 10 N -8.60 4.41 0.62 2.58 1.02 -1.26 -5.02 118.68 112.44 2zet s LEU 10 Ca -0.04 2.38 -0.13 0.00 0.02 0.00 0.00 54.13 56.35 2zet s LEU 10 Cb 0.16 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.73 2zet s LEU 10 CO 0.66 -0.53 1.04 0.42 0.02 0.00 0.00 176.35 177.95 2zet s THR 11 N 0.23 4.19 0.41 5.49 -4.23 -1.26 -4.77 115.64 115.70 2zet s THR 11 Ca 0.57 0.86 0.38 0.00 -1.18 0.00 0.00 61.69 62.33 2zet s THR 11 Cb -0.36 -3.54 0.38 0.00 1.34 0.00 0.00 72.50 70.32 2zet s THR 11 CO 0.37 -0.78 2.17 0.44 -0.54 0.00 0.00 174.62 176.28 2zet h ASP 12 N -0.00 0.00 0.57 3.99 3.32 -1.95 0.11 116.42 122.46 2zet h ASP 12 Ca -0.45 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.31 2zet h ASP 12 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2zet h ASP 12 CO 0.59 0.00 -1.38 -0.08 -1.72 0.00 0.00 179.24 176.65 2zet h GLU 13 N 0.00 0.22 -0.21 3.56 4.81 -2.00 -3.03 114.58 117.93 2zet h GLU 13 Ca 0.00 -0.38 -0.15 0.00 -0.13 0.00 0.00 59.36 58.70 2zet h GLU 13 Cb 0.01 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2zet h GLU 13 CO 0.00 1.11 -0.45 0.93 -0.73 0.00 0.00 179.01 179.87 2zet h GLU 14 N 0.06 0.67 -0.77 1.92 5.08 -1.47 -2.84 114.58 117.23 2zet h GLU 14 Ca -0.18 -0.45 0.06 0.00 -1.00 0.00 0.00 59.36 57.79 2zet h GLU 14 Cb 1.98 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 31.24 2zet h GLU 14 CO 0.17 1.07 0.50 0.00 -1.00 0.00 0.00 179.01 179.75 2zet h ALA 15 N 0.60 1.65 -0.47 3.43 0.00 -0.94 -1.31 119.26 122.23 2zet h ALA 15 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2zet h ALA 15 Cb 1.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2zet h ALA 15 CO 0.10 0.23 -0.21 1.49 0.00 0.00 0.00 179.25 180.85 2zet h GLU 16 N 0.82 0.97 0.17 0.00 4.57 -1.44 -2.21 114.58 117.46 2zet h GLU 16 Ca 0.33 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2zet h GLU 16 Cb 0.24 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2zet h GLU 16 CO -0.11 1.08 -0.08 1.25 -1.18 0.00 0.00 179.01 179.96 2zet h HIS 17 N 0.83 -0.21 -0.27 0.92 2.76 -1.10 -1.01 115.15 117.08 2zet h HIS 17 Ca 0.11 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2zet h HIS 17 Cb 0.78 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.75 2zet h HIS 17 CO 0.05 0.08 -0.16 0.28 -1.30 0.00 0.00 177.93 176.88 2zet h VAL 18 N -0.50 0.54 -0.18 5.26 2.07 -1.29 -0.57 116.25 121.58 2zet h VAL 18 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2zet h VAL 18 Cb 0.38 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 2zet h VAL 18 CO 0.04 0.00 -0.36 -0.25 0.02 0.00 0.00 177.57 177.01 2zet h TRP 19 N -0.13 -1.03 -0.84 1.57 -0.00 -1.33 -0.29 115.95 113.90 2zet h TRP 19 Ca 0.15 0.05 0.18 0.00 -0.00 0.00 0.00 58.89 59.26 2zet h TRP 19 Cb 0.35 0.48 -0.11 0.00 -0.00 0.00 0.00 29.16 29.88 2zet h TRP 19 CO -0.34 -0.43 0.36 0.00 -0.00 0.00 0.00 178.44 178.03 2zet h ALA 20 N 0.35 1.26 -0.23 2.65 0.00 -0.34 0.71 119.26 123.67 2zet h ALA 20 Ca 0.10 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2zet h ALA 20 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2zet h ALA 20 CO -0.41 -0.26 0.06 0.28 0.00 0.00 0.00 179.25 178.93 2zet h VAL 21 N 0.44 1.20 -0.09 0.00 2.07 -0.07 -2.87 116.25 116.94 2zet h VAL 21 Ca 0.49 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2zet h VAL 21 Cb 0.84 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2zet h VAL 21 CO -0.46 0.21 0.05 0.58 0.02 0.00 0.00 177.57 177.96 2zet h VAL 22 N 0.19 1.09 -1.09 2.57 2.07 0.71 -1.53 116.25 120.27 2zet h VAL 22 Ca 0.07 -0.27 0.32 0.00 0.82 0.00 0.00 66.70 67.64 2zet h VAL 22 Cb 0.27 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2zet h VAL 22 CO 0.00 0.08 0.81 1.56 0.02 0.00 0.00 177.57 180.04 2zet h GLN 23 N 0.05 0.00 0.14 1.57 1.08 0.36 0.67 115.11 118.98 2zet h GLN 23 Ca 0.03 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.94 2zet h GLN 23 Cb 0.09 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2zet h GLN 23 CO -0.00 0.00 -1.27 0.00 -0.95 0.00 0.00 178.83 176.61 2zet h ARG 24 N 0.00 0.47 -0.21 1.46 3.08 -1.08 -3.18 114.38 114.92 2zet h ARG 24 Ca 0.52 -0.69 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 2zet h ARG 24 Cb 2.13 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 32.41 2zet h ARG 24 CO -0.01 1.31 -0.22 0.22 -1.07 0.00 0.00 179.97 180.20 2zet h ASP 25 N 0.17 0.37 -0.33 7.04 3.58 0.11 -1.86 116.42 125.50 2zet h ASP 25 Ca -0.18 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.01 2zet h ASP 25 Cb 1.96 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.90 2zet h ASP 25 CO 0.23 0.60 -0.39 -0.26 -2.88 0.00 0.00 179.24 176.54 2zet h PHE 26 N 0.34 1.03 -0.77 0.28 -1.00 -1.35 -0.27 116.94 115.20 2zet h PHE 26 Ca 0.06 -0.33 -0.04 0.00 2.81 0.00 0.00 57.97 60.47 2zet h PHE 26 Cb 0.58 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 2zet h PHE 26 CO 0.01 1.13 0.33 -0.44 -1.61 0.00 0.00 178.31 177.74 2zet h ASP 27 N 0.64 1.03 -0.67 2.17 3.32 -1.48 0.26 116.42 121.69 2zet h ASP 27 Ca 0.04 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2zet h ASP 27 Cb 0.99 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 2zet h ASP 27 CO 0.09 0.90 0.10 0.25 -1.72 0.00 0.00 179.24 178.86 2zet h LEU 28 N 1.11 1.07 -0.74 1.55 5.85 -1.18 -1.31 115.31 121.66 2zet h LEU 28 Ca 0.26 -0.26 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 2zet h LEU 28 Cb 0.17 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2zet h LEU 28 CO -0.03 1.07 -0.55 0.03 -0.34 0.00 0.00 178.44 178.62 2zet h ARG 29 N 1.04 0.22 0.27 1.25 3.08 -0.17 -2.40 114.38 117.68 2zet h ARG 29 Ca 0.20 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2zet h ARG 29 Cb 0.46 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2zet h ARG 29 CO 0.02 0.71 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.41 2zet h ARG 30 N 0.17 -0.35 -1.01 0.04 2.43 -0.20 -1.93 114.38 113.53 2zet h ARG 30 Ca 0.00 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.42 2zet h ARG 30 Cb 1.02 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.54 2zet h ARG 30 CO 0.08 -0.00 0.62 0.00 -1.51 0.00 0.00 179.97 179.16 2zet h ARG 31 N -0.81 0.60 -0.12 0.20 3.08 -1.28 0.21 114.38 116.25 2zet h ARG 31 Ca -0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 2zet h ARG 31 Cb 0.51 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2zet h ARG 31 CO 0.06 0.39 -0.56 1.49 -1.07 0.00 0.00 179.97 180.28 2zet h GLU 32 N 0.61 0.37 -0.07 0.04 4.57 -1.35 -1.38 114.58 117.37 2zet h GLU 32 Ca 0.60 -0.24 -0.19 0.00 -1.18 0.00 0.00 59.36 58.36 2zet h GLU 32 Cb 1.14 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2zet h GLU 32 CO -0.39 0.83 -0.75 0.93 -1.18 0.00 0.00 179.01 178.45 2zet h GLU 33 N 0.28 0.41 -0.50 1.92 4.39 0.13 -2.80 114.58 118.43 2zet h GLU 33 Ca 0.00 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 2zet h GLU 33 Cb 1.07 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2zet h GLU 33 CO 0.09 0.99 -0.16 0.93 -1.16 0.00 0.00 179.01 179.70 2zet h GLU 34 N 0.28 0.96 -0.22 2.33 5.08 -0.84 -2.13 114.58 120.04 2zet h GLU 34 Ca -0.03 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2zet h GLU 34 Cb 1.33 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2zet h GLU 34 CO 0.13 1.04 0.05 -0.09 -1.00 0.00 0.00 179.01 179.14 2zet h ARG 35 N 0.85 0.14 0.00 2.33 2.43 -1.20 -0.09 114.38 118.83 2zet h ARG 35 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2zet h ARG 35 Cb 0.71 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2zet h ARG 35 CO 0.05 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 2zet n LEU 36 N -5.08 0.60 0.13 3.80 4.77 -1.06 -2.25 117.00 117.91 2zet n LEU 36 Ca -0.02 0.63 -0.22 0.00 -0.03 0.00 0.00 56.01 56.37 2zet n LEU 36 Cb 0.10 -0.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.50 2zet n LEU 36 CO 0.28 -0.47 -0.23 -0.61 -1.33 0.00 0.00 177.39 175.03 2zet h GLN 37 N 0.00 0.45 0.00 3.23 5.75 -0.40 -3.15 115.11 121.00 2zet h GLN 37 Ca 0.00 -0.77 -0.12 0.00 -0.15 0.00 0.00 58.65 57.61 2zet h GLN 37 Cb 0.40 0.29 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2zet h GLN 37 CO 0.00 1.36 -0.59 0.78 -2.65 0.00 0.00 178.83 177.73 2zet h GLY 38 N 0.65 0.00 1.59 2.39 0.00 -0.71 -1.46 103.07 105.53 2zet h GLY 38 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 2zet h GLY 38 CO 0.24 0.00 -0.65 1.41 0.00 0.00 0.00 176.54 177.54 2zet h LEU 39 N 0.00 0.48 -0.35 3.11 3.38 -1.54 -0.89 115.31 119.50 2zet h LEU 39 Ca -0.01 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 2zet h LEU 39 Cb 1.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2zet h LEU 39 CO 0.08 1.00 -0.80 0.11 0.09 0.00 0.00 178.44 178.91 2zet h LYS 40 N 0.30 0.00 -0.24 1.13 1.57 -1.48 -2.12 116.57 115.72 2zet h LYS 40 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2zet h LYS 40 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2zet h LYS 40 CO 0.11 0.80 -0.04 0.78 -0.57 0.00 0.00 179.45 180.54 2zet h GLY 41 N 2.52 0.49 1.35 3.86 0.00 -1.06 -1.00 103.07 109.23 2zet h GLY 41 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2zet h GLY 41 CO 0.10 0.36 0.24 0.50 0.00 0.00 0.00 176.54 177.74 2zet h LYS 42 N 0.21 0.83 -0.29 4.80 1.57 -1.13 -1.88 116.57 120.68 2zet h LYS 42 Ca 0.06 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2zet h LYS 42 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2zet h LYS 42 CO 0.02 0.68 -0.44 0.82 -0.57 0.00 0.00 179.45 179.95 2zet h ILE 43 N 0.82 1.29 -0.47 1.86 2.04 -1.17 -2.59 117.51 119.29 2zet h ILE 43 Ca 0.20 -1.63 -0.08 0.00 1.00 0.00 0.00 64.86 64.34 2zet h ILE 43 Cb 0.15 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2zet h ILE 43 CO -0.02 0.53 -0.04 1.56 0.00 0.00 0.00 178.15 180.18 2zet h GLN 44 N 0.60 0.80 -0.27 2.37 4.20 -0.75 -1.39 115.11 120.67 2zet h GLN 44 Ca 0.04 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2zet h GLN 44 Cb 1.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2zet h GLN 44 CO 0.10 0.83 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.77 2zet h LYS 45 N 0.74 0.53 -0.26 1.46 3.64 -1.29 -1.23 116.57 120.15 2zet h LYS 45 Ca 0.14 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2zet h LYS 45 Cb 0.50 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2zet h LYS 45 CO 0.03 0.76 -0.12 0.93 -2.27 0.00 0.00 179.45 178.78 2zet h GLU 46 N 0.27 0.43 0.00 1.90 4.39 -1.29 0.19 114.58 120.47 2zet h GLU 46 Ca 0.06 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2zet h GLU 46 Cb 0.58 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2zet h GLU 46 CO 0.03 0.55 -0.20 1.03 -1.16 0.00 0.00 179.01 179.27 2zet h SER 47 N 0.40 0.00 0.88 1.42 0.87 -1.10 -2.38 113.55 113.64 2zet h SER 47 Ca 0.08 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.41 2zet h SER 47 Cb 0.46 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2zet h SER 47 CO 0.03 0.20 -1.08 -1.28 -0.53 0.00 0.00 176.83 174.17 2zet h SER 48 N 0.00 0.14 -0.25 6.23 0.87 -0.55 -3.18 113.55 116.80 2zet h SER 48 Ca -0.00 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.22 2zet h SER 48 Cb 1.08 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2zet h SER 48 CO 0.03 1.12 -0.59 0.50 -0.53 0.00 0.00 176.83 177.35 2zet h LYS 49 N 0.02 0.85 0.00 2.24 3.64 -0.86 -2.86 116.57 119.60 2zet h LYS 49 Ca -0.05 -0.57 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2zet h LYS 49 Cb 1.84 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.74 2zet h LYS 49 CO 0.15 1.20 -0.05 0.00 -2.27 0.00 0.00 179.45 178.49 2zet h ARG 50 N 0.62 0.00 0.19 1.90 3.08 -1.47 -0.17 114.38 118.53 2zet h ARG 50 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 2zet h ARG 50 Cb 1.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.27 2zet h ARG 50 CO 0.13 0.05 -1.60 0.93 -1.07 0.00 0.00 179.97 178.41 2zet h GLU 51 N 0.00 0.41 0.33 0.04 4.39 -1.52 -3.03 114.58 115.21 2zet h GLU 51 Ca -0.00 -0.70 -0.02 0.00 0.34 0.00 0.00 59.36 58.98 2zet h GLU 51 Cb 0.29 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2zet h GLU 51 CO 0.01 1.32 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.94 2zet h LEU 52 N 0.11 -0.38 -1.05 1.33 3.38 -1.23 -2.95 115.31 114.52 2zet h LEU 52 Ca -0.29 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2zet h LEU 52 Cb 2.10 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.95 2zet h LEU 52 CO 0.21 -0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.86 2zet n LEU 53 N -5.17 0.84 -0.30 1.67 4.77 -0.11 -3.09 117.00 115.60 2zet n LEU 53 Ca -0.10 -0.42 0.12 0.00 -0.03 0.00 0.00 56.01 55.59 2zet n LEU 53 Cb 0.26 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 41.23 2zet n LEU 53 CO 0.32 0.20 0.54 -1.54 -1.33 0.00 0.00 177.39 175.58 2zet n SER 54 N 0.14 1.26 -1.56 -1.43 3.41 -1.12 -3.85 113.62 110.48 2zet n SER 54 Ca 0.00 -1.03 0.08 0.00 -0.26 0.00 0.00 58.87 57.66 2zet n SER 54 Cb 0.20 0.25 0.34 0.00 -0.26 0.00 0.00 64.21 64.74 2zet n SER 54 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2zet n ASP 55 N -0.54 4.63 -3.87 4.04 8.00 -1.18 -4.57 116.55 123.06 2zet n ASP 55 Ca 0.11 -2.51 -0.28 0.00 0.71 0.00 0.00 54.79 52.81 2zet n ASP 55 Cb 0.38 -0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 2zet n ASP 55 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2zet s THR 56 N -2.02 2.63 -0.19 -3.53 2.01 -1.25 -5.08 115.64 108.22 2zet s THR 56 Ca 0.48 -3.96 -0.39 0.00 0.31 0.00 0.00 61.69 58.12 2zet s THR 56 Cb 0.32 -2.75 -0.18 0.00 0.01 0.00 0.00 72.50 69.90 2zet s THR 56 CO 0.21 -0.98 1.18 0.00 -0.69 0.00 0.00 174.62 174.33 2zet n ALA 57 N 2.27 -2.53 -2.01 7.40 0.00 -1.26 -2.17 120.51 122.21 2zet n ALA 57 Ca 0.17 0.51 -0.19 0.00 0.00 0.00 0.00 53.44 53.93 2zet n ALA 57 Cb 0.35 -1.68 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 2zet n ALA 57 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2zet n HIS 58 N 2.31 -0.60 0.14 0.00 8.25 -1.26 -4.87 115.22 119.19 2zet n HIS 58 Ca 0.22 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.70 2zet n HIS 58 Cb 0.02 -3.56 0.35 0.00 1.12 0.00 0.00 29.99 27.92 2zet n HIS 58 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2zet h LEU 59 N 0.00 0.13 -1.84 2.41 5.85 -1.80 -2.52 115.31 117.54 2zet h LEU 59 Ca -0.43 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2zet h LEU 59 Cb 1.31 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2zet h LEU 59 CO 0.56 0.42 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.94 2zet h ASN 60 N 0.12 0.07 -0.14 1.25 -0.00 -1.85 0.17 115.58 115.20 2zet h ASN 60 Ca 0.02 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.25 2zet h ASN 60 Cb 0.58 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.86 2zet h ASN 60 CO 0.04 0.10 -0.09 -0.33 -0.00 0.00 0.00 177.43 177.15 2zet h GLU 61 N 0.08 0.46 0.00 6.67 5.08 -1.85 -3.28 114.58 121.73 2zet h GLU 61 Ca 0.02 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2zet h GLU 61 Cb 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2zet h GLU 61 CO 0.00 0.56 -1.88 0.25 -1.00 0.00 0.00 179.01 176.94 2zet n THR 62 N -4.24 0.64 -4.37 1.13 -2.24 -0.97 -4.96 114.28 99.27 2zet n THR 62 Ca 0.01 -0.52 -0.27 0.00 -2.27 0.00 0.00 64.05 61.00 2zet n THR 62 Cb 0.29 -0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 2zet n THR 62 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2zet s HIS 63 N -2.59 2.42 0.41 4.78 3.76 0.55 -2.19 115.29 122.43 2zet s HIS 63 Ca -0.07 -0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 54.28 2zet s HIS 63 Cb 0.06 -1.20 -0.08 0.00 1.11 0.00 0.00 32.58 32.47 2zet s HIS 63 CO 0.60 0.50 1.22 0.00 -0.85 0.00 0.00 174.74 176.21 2zet h ALA 65 N 2.59 1.01 0.00 0.00 0.00 -1.75 -2.39 119.26 118.73 2zet h ALA 65 Ca -0.49 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2zet h ALA 65 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2zet h ALA 65 CO 0.62 0.06 -1.08 -2.13 0.00 0.00 0.00 179.25 176.72 2zet n ARG 66 N -3.17 0.37 0.08 0.00 0.00 -1.26 -4.72 116.66 107.96 2zet n ARG 66 Ca 0.00 0.15 0.12 0.00 -0.00 0.00 0.00 57.85 58.13 2zet n ARG 66 Cb 0.33 -1.15 0.13 0.00 0.00 0.00 0.00 32.46 31.77 2zet n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2zet n LEU 68 N -2.28 -1.17 -4.91 0.00 4.77 -0.90 -4.95 117.00 107.56 2zet n LEU 68 Ca 0.02 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 2zet n LEU 68 Cb 0.47 -2.05 -0.03 0.00 -2.33 0.00 0.00 43.42 39.48 2zet n LEU 68 CO 0.37 -0.54 0.20 -1.10 -1.33 0.00 0.00 177.39 174.98 2zet s GLN 69 N -3.60 3.62 0.18 3.23 -1.52 -1.26 -4.58 119.66 115.73 2zet s GLN 69 Ca 0.00 -0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.09 2zet s GLN 69 Cb 0.00 -2.65 -0.08 0.00 -0.22 0.00 0.00 33.01 30.06 2zet s GLN 69 CO 0.00 0.21 1.11 -2.14 -0.25 0.00 0.00 175.29 174.23 2zet s PRO 70 N -3.59 4.58 0.20 2.91 0.02 -1.26 -1.59 135.00 136.28 2zet s PRO 70 Ca 0.43 1.74 -0.14 0.00 0.02 0.00 0.00 61.00 63.05 2zet s PRO 70 Cb -0.11 -3.27 0.20 0.00 0.02 0.00 0.00 34.50 31.35 2zet s PRO 70 CO 0.30 0.06 1.64 1.88 -0.33 0.00 0.00 177.00 180.56 2zet h TYR 71 N 5.07 -0.27 -1.40 6.54 0.99 -1.80 -1.80 116.97 124.30 2zet h TYR 71 Ca -0.44 0.05 0.41 0.00 2.00 0.00 0.00 58.73 60.74 2zet h TYR 71 Cb 1.21 0.21 -0.06 0.00 1.00 0.00 0.00 36.73 39.09 2zet h TYR 71 CO 0.62 -0.23 1.07 0.07 -0.00 0.00 0.00 178.16 179.69 2zet h ARG 72 N 0.01 0.00 0.00 4.88 0.11 -1.91 1.53 114.38 118.99 2zet h ARG 72 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 2zet h ARG 72 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2zet h ARG 72 CO -0.57 0.00 -0.27 1.28 0.10 0.00 0.00 179.97 180.51 2zet n LEU 73 N -3.96 0.28 -4.57 0.08 4.77 -0.68 -4.80 117.00 108.12 2zet n LEU 73 Ca 0.31 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 56.12 2zet n LEU 73 Cb 1.51 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 42.16 2zet n LEU 73 CO 0.39 0.06 0.23 -0.76 -1.33 0.00 0.00 177.39 175.98 2zet s LEU 74 N -3.04 4.26 0.00 2.23 1.43 0.52 -4.92 118.68 119.16 2zet s LEU 74 Ca 0.12 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2zet s LEU 74 Cb 0.18 -2.60 0.16 0.00 0.03 0.00 0.00 46.19 43.97 2zet s LEU 74 CO 0.62 -0.43 1.12 0.18 0.23 0.00 0.00 176.35 178.08 2zet n LEU 75 N 5.69 0.01 -4.50 1.79 4.77 -1.26 -4.47 117.00 119.02 2zet n LEU 75 Ca -0.05 0.50 -0.36 0.00 -0.03 0.00 0.00 56.01 56.07 2zet n LEU 75 Cb 0.49 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 2zet n LEU 75 CO 0.44 -0.44 -0.27 0.54 -1.33 0.00 0.00 177.39 176.33 2zet s ASN 76 N -3.01 5.30 0.44 -1.43 4.22 -1.26 -5.09 114.94 114.11 2zet s ASN 76 Ca 0.02 -0.12 -0.26 0.00 -2.14 0.00 0.00 52.86 50.36 2zet s ASN 76 Cb 0.02 -1.94 -0.09 0.00 1.28 0.00 0.00 41.25 40.53 2zet s ASN 76 CO 0.07 0.02 1.41 -0.55 -2.04 0.00 0.00 177.10 176.00 2zet s SER 77 N 1.30 6.00 0.45 3.54 0.15 -1.26 -4.49 113.70 119.39 2zet s SER 77 Ca 0.05 2.88 -0.22 0.00 0.70 0.00 0.00 55.95 59.35 2zet s SER 77 Cb -0.15 -2.65 -0.10 0.00 -1.71 0.00 0.00 66.02 61.41 2zet s SER 77 CO 0.04 -1.09 0.81 -1.14 1.20 0.00 0.00 173.24 173.06 2zet n ARG 78 N -0.08 0.96 -4.14 5.44 0.63 -1.26 -4.40 116.66 113.81 2zet n ARG 78 Ca 0.04 0.35 -0.15 0.00 -0.92 0.00 0.00 57.85 57.17 2zet n ARG 78 Cb 0.42 -1.84 -0.14 0.00 0.45 0.00 0.00 32.46 31.35 2zet n ARG 78 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2zet s ARG 79 N -1.95 0.43 0.34 -0.14 0.52 -0.37 -4.97 118.95 112.81 2zet s ARG 79 Ca 0.65 -0.25 -0.00 0.00 -0.52 0.00 0.00 55.73 55.61 2zet s ARG 79 Cb -0.55 -0.39 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 2zet s ARG 79 CO 0.56 0.10 0.55 -1.14 0.02 0.00 0.00 175.30 175.39 2zet s GLN 80 N -0.30 3.50 -0.19 3.54 0.74 -1.26 -0.06 119.66 125.63 2zet s GLN 80 Ca 0.00 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 2zet s GLN 80 Cb -0.03 -2.66 0.00 0.00 1.10 0.00 0.00 33.01 31.42 2zet s GLN 80 CO -0.00 0.15 -0.11 0.00 -0.55 0.00 0.00 175.29 174.78 2zet h LEU 82 N 7.83 0.00 0.00 0.00 3.38 -1.79 0.34 115.31 125.07 2zet h LEU 82 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2zet h LEU 82 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2zet h LEU 82 CO 0.61 0.00 0.00 1.21 0.09 0.00 0.00 178.44 180.35 2zet n GLU 83 N -3.62 0.00 0.03 1.13 4.07 -1.26 -4.50 120.64 116.49 2zet n GLU 83 Ca 0.09 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.32 2zet n GLU 83 Cb 0.74 -0.39 0.52 0.00 -0.06 0.00 0.00 31.44 32.25 2zet n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2zet n SER 85 N -1.73 -3.07 -1.46 0.00 3.41 0.12 -5.01 113.62 105.88 2zet n SER 85 Ca 0.06 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 2zet n SER 85 Cb 0.34 -4.56 0.00 0.00 -0.26 0.00 0.00 64.21 59.73 2zet n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2zet n LEU 86 N -3.99 0.00 -4.25 1.04 4.77 -1.26 -4.79 117.00 108.52 2zet n LEU 86 Ca -0.22 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.50 2zet n LEU 86 Cb 0.65 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.60 2zet n LEU 86 CO 0.64 -0.09 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.73 2zet s PHE 87 N -0.03 1.83 0.15 -1.77 0.40 -1.26 -1.71 117.98 115.59 2zet s PHE 87 Ca 0.00 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.86 2zet s PHE 87 Cb 0.00 -1.09 -0.00 0.00 0.51 0.00 0.00 43.02 42.43 2zet s PHE 87 CO 0.00 0.09 0.29 0.14 0.70 0.00 0.00 175.22 176.43 2zet s VAL 88 N -0.79 0.08 0.61 -0.44 -7.23 0.92 -2.24 120.40 111.31 2zet s VAL 88 Ca 0.08 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2zet s VAL 88 Cb -0.09 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2zet s VAL 88 CO 0.02 -0.35 1.01 0.00 -0.31 0.00 0.00 175.10 175.47 2zet h LYS 90 N -0.29 0.55 0.00 0.00 3.64 -1.79 -0.55 116.57 118.14 2zet h LYS 90 Ca -0.44 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2zet h LYS 90 Cb 1.19 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2zet h LYS 90 CO 0.62 0.36 -0.05 0.77 -2.27 0.00 0.00 179.45 178.89 2zet h SER 91 N 0.57 0.00 -0.25 4.20 0.02 -1.95 -1.29 113.55 114.85 2zet h SER 91 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2zet h SER 91 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2zet h SER 91 CO -0.40 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.34 2zet s SER 93 N -1.54 3.59 -0.08 0.00 1.04 -0.49 0.24 113.70 116.46 2zet s SER 93 Ca 0.34 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.62 2zet s SER 93 Cb 0.19 -0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.04 2zet s SER 93 CO 0.28 -0.09 0.19 -1.00 0.98 0.00 0.00 173.24 173.60 2zet s HIS 94 N -2.59 -0.23 0.07 5.02 0.09 0.13 -4.87 115.29 112.91 2zet s HIS 94 Ca 0.31 0.59 -0.30 0.00 -0.00 0.00 0.00 55.06 55.66 2zet s HIS 94 Cb -0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 32.58 32.52 2zet s HIS 94 CO 0.15 -0.17 0.99 0.00 -0.00 0.00 0.00 174.74 175.70 2zet s ALA 95 N 0.96 3.23 0.09 -1.40 0.00 -1.26 0.12 121.76 123.49 2zet s ALA 95 Ca -0.07 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 2zet s ALA 95 Cb -0.09 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2zet s ALA 95 CO -0.05 -0.12 0.98 -3.38 0.00 0.00 0.00 175.76 173.18 2zet s HIS 96 N 0.38 3.77 0.08 0.00 -3.43 -1.24 -4.86 115.29 109.98 2zet s HIS 96 Ca 0.49 1.77 0.05 0.00 -0.80 0.00 0.00 55.06 56.57 2zet s HIS 96 Cb -0.23 -3.08 0.27 0.00 -1.43 0.00 0.00 32.58 28.11 2zet s HIS 96 CO 0.29 0.11 0.30 -2.30 -2.00 0.00 0.00 174.74 171.13 2zet n PRO 97 N 2.99 -0.01 -3.20 -0.38 -0.02 -1.26 -3.43 135.00 129.70 2zet n PRO 97 Ca 0.03 0.25 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 2zet n PRO 97 Cb 0.49 -0.47 -0.07 0.00 -0.02 0.00 0.00 33.50 33.44 2zet n PRO 97 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2zet s GLU 98 N -4.07 0.95 0.00 -0.52 2.02 -1.26 -5.10 118.70 110.72 2zet s GLU 98 Ca -0.02 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.21 2zet s GLU 98 Cb 0.06 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.31 2zet s GLU 98 CO 0.15 -1.37 0.00 0.39 0.02 0.00 0.00 175.26 174.45 2zet n GLU 99 N 2.89 0.00 -2.72 1.61 1.02 -1.22 -5.10 120.64 117.12 2zet n GLU 99 Ca 0.26 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 2zet n GLU 99 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 2zet n GLU 99 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2zet s GLN 100 N -2.00 3.81 0.00 3.49 -0.21 -1.26 -4.68 119.66 118.81 2zet s GLN 100 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.99 2zet s GLN 100 Cb 0.00 -3.84 0.00 0.00 1.00 0.00 0.00 33.01 30.17 2zet s GLN 100 CO 0.00 -1.10 0.00 0.41 -2.12 0.00 0.00 175.29 172.48 2zet n GLY 101 N 4.49 -0.20 3.49 3.09 0.00 -1.26 -5.04 105.19 109.76 2zet n GLY 101 Ca 0.09 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 2zet n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2zet s TRP 102 N -1.93 1.91 -0.01 1.61 0.52 -1.26 -3.62 118.94 116.15 2zet s TRP 102 Ca 0.00 -1.06 0.02 0.00 0.02 0.00 0.00 56.10 55.08 2zet s TRP 102 Cb 0.00 -1.27 0.00 0.00 -1.15 0.00 0.00 33.47 31.05 2zet s TRP 102 CO 0.00 -0.07 -0.05 -0.51 0.02 0.00 0.00 176.95 176.34 2zet s LEU 103 N -3.56 1.82 0.25 2.99 1.43 0.32 -2.14 118.68 119.80 2zet s LEU 103 Ca 0.30 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.06 2zet s LEU 103 Cb 0.06 -0.32 -0.09 0.00 0.03 0.00 0.00 46.19 45.88 2zet s LEU 103 CO 0.14 0.04 0.83 0.00 0.23 0.00 0.00 176.35 177.58 2zet n ASP 105 N 0.88 -0.36 -0.04 0.00 10.43 0.14 -0.29 116.55 127.30 2zet n ASP 105 Ca -0.01 0.68 -0.08 0.00 2.57 0.00 0.00 54.79 57.94 2zet n ASP 105 Cb 0.50 -0.11 -0.02 0.00 1.84 0.00 0.00 41.12 43.33 2zet n ASP 105 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 2zet h PRO 106 N 0.00 -0.23 0.00 -0.24 0.11 -1.92 0.27 132.00 129.99 2zet h PRO 106 Ca 0.08 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2zet h PRO 106 Cb 0.18 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2zet h PRO 106 CO -0.37 -0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.27 2zet h HIS 108 N 0.00 0.04 -0.46 0.00 -0.00 -0.31 -2.94 115.15 111.49 2zet h HIS 108 Ca 0.00 -0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.43 2zet h HIS 108 Cb 0.41 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 2zet h HIS 108 CO 0.00 1.01 0.31 -0.07 -0.00 0.00 0.00 177.93 179.19 2zet h LEU 109 N -0.94 0.20 -1.67 0.26 3.38 -0.81 0.63 115.31 116.36 2zet h LEU 109 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2zet h LEU 109 Cb 1.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2zet h LEU 109 CO 0.01 0.12 -0.09 0.00 0.09 0.00 0.00 178.44 178.58 2zet h ALA 110 N 1.77 1.73 0.26 1.53 0.00 -1.41 0.54 119.26 123.66 2zet h ALA 110 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2zet h ALA 110 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2zet h ALA 110 CO -0.04 0.20 -0.12 -0.09 0.00 0.00 0.00 179.25 179.20 2zet h ARG 111 N 0.10 -0.33 -0.53 0.00 1.12 0.40 -2.85 114.38 112.29 2zet h ARG 111 Ca 0.02 0.02 0.11 0.00 -1.11 0.00 0.00 59.98 59.02 2zet h ARG 111 Cb 0.22 0.08 -0.09 0.00 -0.01 0.00 0.00 29.97 30.17 2zet h ARG 111 CO 0.01 -0.04 -0.02 0.28 -3.11 0.00 0.00 179.97 177.10 2zet h VAL 112 N -0.99 0.56 -0.22 0.20 2.07 -0.90 -0.69 116.25 116.28 2zet h VAL 112 Ca -0.04 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2zet h VAL 112 Cb 0.45 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2zet h VAL 112 CO 0.06 0.02 -0.11 0.58 0.02 0.00 0.00 177.57 178.14 2zet h VAL 113 N 0.10 1.19 0.51 2.57 2.07 -1.00 0.84 116.25 122.54 2zet h VAL 113 Ca 0.27 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2zet h VAL 113 Cb 0.41 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2zet h VAL 113 CO -0.46 0.27 -0.25 0.50 0.02 0.00 0.00 177.57 177.65 2zet h LYS 114 N 0.33 -0.67 -0.16 1.57 3.64 -0.93 -2.67 116.57 117.67 2zet h LYS 114 Ca 0.07 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2zet h LYS 114 Cb 0.40 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2zet h LYS 114 CO 0.02 -0.36 0.09 0.82 -2.27 0.00 0.00 179.45 177.75 2zet h ILE 115 N -1.01 1.10 0.00 2.00 2.04 -1.02 -3.04 117.51 117.59 2zet h ILE 115 Ca -0.07 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2zet h ILE 115 Cb 0.61 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2zet h ILE 115 CO 0.12 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.97 2zet n GLY 116 N -0.93 -0.75 0.05 5.37 0.00 0.29 -1.90 105.19 107.32 2zet n GLY 116 Ca -0.04 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2zet n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2zet n SER 117 N -1.59 0.54 -4.07 1.61 7.64 -1.01 -4.95 113.62 111.79 2zet n SER 117 Ca 0.01 0.29 -0.28 0.00 1.01 0.00 0.00 58.87 59.91 2zet n SER 117 Cb 0.08 -0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 2zet n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2zet n LEU 118 N -1.92 -1.85 -0.32 -3.43 4.77 -0.80 -4.78 117.00 108.68 2zet n LEU 118 Ca 0.05 -1.08 0.09 0.00 -0.03 0.00 0.00 56.01 55.04 2zet n LEU 118 Cb 0.40 -2.05 0.25 0.00 -2.33 0.00 0.00 43.42 39.69 2zet n LEU 118 CO 0.32 0.43 1.14 -0.33 -1.33 0.00 0.00 177.39 177.61 2zet h GLU 119 N -1.79 0.67 0.19 3.23 4.39 -1.85 -1.23 114.58 118.20 2zet h GLU 119 Ca -0.63 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.04 2zet h GLU 119 Cb 1.38 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2zet h GLU 119 CO 0.66 0.44 -0.34 0.11 -1.16 0.00 0.00 179.01 178.73 2zet h TRP 120 N 0.69 -0.92 0.34 4.33 5.08 -1.97 -1.92 115.95 121.58 2zet h TRP 120 Ca 0.50 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.47 2zet h TRP 120 Cb 0.71 0.38 -0.01 0.00 -3.00 0.00 0.00 29.16 27.24 2zet h TRP 120 CO -0.06 -0.45 -0.25 -0.92 -1.28 0.00 0.00 178.44 175.47 2zet h TYR 121 N -0.61 -0.69 0.00 0.12 3.20 -1.77 -2.83 116.97 114.39 2zet h TYR 121 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2zet h TYR 121 Cb 0.61 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2zet h TYR 121 CO -0.27 -0.36 0.25 0.66 -1.64 0.00 0.00 178.16 176.80 2zet n TYR 122 N -3.89 0.28 -0.03 -3.82 4.02 -0.52 -2.46 117.16 110.74 2zet n TYR 122 Ca -0.07 0.15 -0.02 0.00 -0.01 0.00 0.00 57.90 57.95 2zet n TYR 122 Cb 0.25 -0.54 -0.01 0.00 -0.02 0.00 0.00 39.34 39.02 2zet n TYR 122 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2zet h GLN 123 N 0.00 0.00 -0.80 -0.72 1.08 -1.10 -3.20 115.11 110.36 2zet h GLN 123 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 2zet h GLN 123 Cb 0.49 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.79 2zet h GLN 123 CO 0.00 0.00 -0.28 0.72 -0.95 0.00 0.00 178.83 178.32 2zet n HIS 124 N -3.26 0.10 0.01 2.96 8.25 -1.06 0.15 115.22 122.37 2zet n HIS 124 Ca -0.03 0.99 -0.10 0.00 -0.26 0.00 0.00 57.72 58.31 2zet n HIS 124 Cb 0.11 -0.85 -0.04 0.00 1.12 0.00 0.00 29.99 30.34 2zet n HIS 124 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2zet h VAL 125 N 0.00 0.36 -0.78 1.59 2.07 -1.68 -1.58 116.25 116.23 2zet h VAL 125 Ca 0.31 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.93 2zet h VAL 125 Cb 0.51 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2zet h VAL 125 CO -0.81 0.00 0.51 -0.09 0.02 0.00 0.00 177.57 177.21 2zet h ARG 126 N -0.36 0.69 -1.40 1.57 2.43 0.13 0.45 114.38 117.89 2zet h ARG 126 Ca 0.09 -0.04 -0.42 0.00 -0.81 0.00 0.00 59.98 58.80 2zet h ARG 126 Cb 0.50 -0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 29.72 2zet h ARG 126 CO -0.32 0.45 0.54 0.00 -1.51 0.00 0.00 179.97 179.14 2zet n ALA 127 N -2.45 5.48 -0.57 2.80 0.00 0.21 -3.65 120.51 122.32 2zet n ALA 127 Ca 0.13 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.39 2zet n ALA 127 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2zet n ALA 127 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2zet n ARG 128 N 0.02 0.00 -3.66 0.00 0.63 -0.80 -4.96 116.66 107.89 2zet n ARG 128 Ca 0.39 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.25 2zet n ARG 128 Cb 0.60 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.43 2zet n ARG 128 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2zet s PHE 129 N 0.00 -0.93 -0.03 -0.14 0.40 0.08 -5.03 117.98 112.34 2zet s PHE 129 Ca 0.00 1.80 0.30 0.00 -0.60 0.00 0.00 56.93 58.43 2zet s PHE 129 Cb 0.00 0.49 1.44 0.00 0.51 0.00 0.00 43.02 45.46 2zet s PHE 129 CO 0.00 -0.49 1.90 1.57 0.70 0.00 0.00 175.22 178.90 2zet h LYS 130 N 7.44 0.00 0.00 0.44 2.10 -1.83 -3.36 116.57 121.36 2zet h LYS 130 Ca -0.27 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.25 2zet h LYS 130 Cb 1.17 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 2zet h LYS 130 CO 0.18 0.00 -0.04 2.89 -2.00 0.00 0.00 179.45 180.48 2zet n ARG 131 N -2.62 0.40 -4.10 0.07 1.85 -1.26 -5.04 116.66 105.97 2zet n ARG 131 Ca -0.00 -1.41 -0.23 0.00 -1.00 0.00 0.00 57.85 55.20 2zet n ARG 131 Cb 0.16 1.41 -0.06 0.00 -1.05 0.00 0.00 32.46 32.92 2zet n ARG 131 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2zet s PHE 132 N -4.16 2.69 0.00 2.89 -0.12 -1.26 -4.96 117.98 113.07 2zet s PHE 132 Ca 0.14 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2zet s PHE 132 Cb -0.01 -1.67 0.00 0.00 -0.63 0.00 0.00 43.02 40.71 2zet s PHE 132 CO 0.10 0.32 0.12 0.41 -0.05 0.00 0.00 175.22 176.12 2zet n GLY 133 N -1.16 -0.85 0.34 1.99 0.00 -1.26 -0.83 105.19 103.42 2zet n GLY 133 Ca -0.03 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.35 2zet n GLY 133 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2zet h SER 134 N 0.00 0.00 -0.24 1.61 0.02 -1.98 -0.26 113.55 112.70 2zet h SER 134 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2zet h SER 134 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2zet h SER 134 CO 0.00 0.00 -0.19 0.00 -1.14 0.00 0.00 176.83 175.50 2zet h ALA 135 N 1.53 0.35 0.04 3.77 0.00 -1.39 -1.38 119.26 122.18 2zet h ALA 135 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2zet h ALA 135 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2zet h ALA 135 CO -0.00 0.28 -0.02 -0.22 0.00 0.00 0.00 179.25 179.29 2zet h LYS 136 N 0.27 -0.05 -0.76 0.00 3.64 -0.43 -3.31 116.57 115.93 2zet h LYS 136 Ca 0.04 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2zet h LYS 136 Cb 0.73 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 2zet h LYS 136 CO 0.05 0.45 0.44 0.28 -2.27 0.00 0.00 179.45 178.40 2zet h VAL 137 N -0.57 0.96 0.00 2.00 2.07 -1.24 -2.54 116.25 116.93 2zet h VAL 137 Ca -0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2zet h VAL 137 Cb 0.52 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2zet h VAL 137 CO 0.01 0.14 -0.07 0.40 0.02 0.00 0.00 177.57 178.07 2zet h ILE 138 N 0.78 0.76 -0.00 4.57 2.04 -1.33 0.47 117.51 124.79 2zet h ILE 138 Ca 0.35 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2zet h ILE 138 Cb 0.25 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2zet h ILE 138 CO -0.20 0.07 -0.03 0.03 0.00 0.00 0.00 178.15 178.01 2zet h ARG 139 N 0.00 0.03 0.00 2.37 3.08 -1.54 -2.20 114.38 116.12 2zet h ARG 139 Ca -0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2zet h ARG 139 Cb 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2zet h ARG 139 CO 0.01 0.76 -0.31 0.66 -1.07 0.00 0.00 179.97 180.02 2zet h SER 140 N -0.70 0.00 0.23 7.04 4.64 -1.48 0.47 113.55 123.75 2zet h SER 140 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2zet h SER 140 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2zet h SER 140 CO 0.01 0.31 0.00 -0.11 -0.87 0.00 0.00 176.83 176.17 2zet n LEU 141 N -3.98 0.00 -0.20 5.97 7.94 0.16 -1.16 117.00 125.73 2zet n LEU 141 Ca -0.02 0.22 0.10 0.00 -1.11 0.00 0.00 56.01 55.20 2zet n LEU 141 Cb 0.37 -0.22 -0.06 0.00 0.53 0.00 0.00 43.42 44.04 2zet n LEU 141 CO 0.37 -0.10 0.10 0.00 -1.11 0.00 0.00 177.39 176.65 2zet n GLY 143 N 1.41 2.89 0.00 0.00 0.00 -0.31 -5.09 105.19 104.09 2zet n GLY 143 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2zet n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86