#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pag h GLU 2 N 0.00 1.11 0.31 1.96 4.81 -2.05 -1.50 114.58 119.22 2pag h GLU 2 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2pag h GLU 2 Cb 0.00 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 2pag h GLU 2 CO 0.00 0.74 -0.32 0.93 -0.73 0.00 0.00 179.01 179.63 2pag h GLU 3 N 1.14 -0.64 -0.69 1.92 4.39 -2.05 -1.05 114.58 117.60 2pag h GLU 3 Ca 0.41 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.13 2pag h GLU 3 Cb 0.15 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2pag h GLU 3 CO -0.16 -0.42 0.33 0.28 -1.16 0.00 0.00 179.01 177.88 2pag h VAL 4 N -0.66 1.23 -0.26 3.13 2.07 -1.90 -1.27 116.25 118.59 2pag h VAL 4 Ca -0.02 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2pag h VAL 4 Cb 0.60 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2pag h VAL 4 CO -0.06 0.27 0.16 0.40 0.02 0.00 0.00 177.57 178.35 2pag h ILE 5 N 0.96 1.09 -0.68 4.57 2.04 -1.17 -1.56 117.51 122.77 2pag h ILE 5 Ca 0.24 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2pag h ILE 5 Cb 0.12 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2pag h ILE 5 CO -0.03 0.09 0.41 -0.08 0.00 0.00 0.00 178.15 178.54 2pag h GLU 6 N 0.33 0.76 -0.42 2.37 4.81 -0.93 -0.32 114.58 121.17 2pag h GLU 6 Ca 0.09 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2pag h GLU 6 Cb 0.01 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 2pag h GLU 6 CO -0.02 0.50 0.20 0.37 -0.73 0.00 0.00 179.01 179.33 2pag h GLN 7 N 0.78 0.39 -0.14 1.92 4.15 -0.75 -0.17 115.11 121.28 2pag h GLN 7 Ca 0.29 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.65 2pag h GLN 7 Cb 0.08 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 2pag h GLN 7 CO -0.14 0.26 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.92 2pag h LEU 8 N 0.40 0.26 -0.62 -2.39 3.38 -0.81 -2.27 115.31 113.26 2pag h LEU 8 Ca 0.19 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2pag h LEU 8 Cb 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2pag h LEU 8 CO -0.15 0.56 0.38 0.03 0.09 0.00 0.00 178.44 179.34 2pag h ARG 9 N -0.04 0.71 0.00 1.13 2.47 -0.83 -1.84 114.38 115.99 2pag h ARG 9 Ca 0.04 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2pag h ARG 9 Cb 0.44 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2pag h ARG 9 CO 0.01 0.47 0.00 0.93 0.56 0.00 0.00 179.97 181.94 2pag h GLU 10 N 0.74 0.00 -0.01 0.04 5.08 -1.05 -2.91 114.58 116.47 2pag h GLU 10 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2pag h GLU 10 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2pag h GLU 10 CO -0.11 0.00 -0.34 0.00 -1.00 0.00 0.00 179.01 177.56 2pag n ALA 11 N -1.91 3.26 -1.61 3.43 0.00 -0.78 -4.96 120.51 117.94 2pag n ALA 11 Ca 0.03 -0.49 -0.51 0.00 0.00 0.00 0.00 53.44 52.47 2pag n ALA 11 Cb 0.38 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 2pag n ALA 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pag n ASN 12 N -0.44 1.93 -4.77 0.00 5.15 -0.76 -4.82 115.26 111.55 2pag n ASN 12 Ca 0.11 1.11 -0.37 0.00 -0.60 0.00 0.00 54.58 54.83 2pag n ASN 12 Cb 0.39 -1.23 -0.07 0.00 -0.53 0.00 0.00 39.78 38.35 2pag n ASN 12 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2pag s GLU 13 N 0.78 4.08 0.42 1.20 2.02 0.57 -4.95 118.70 122.82 2pag s GLU 13 Ca 0.85 0.18 -0.26 0.00 0.02 0.00 0.00 54.97 55.76 2pag s GLU 13 Cb -0.92 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 29.88 2pag s GLU 13 CO 0.47 0.41 1.33 -1.25 0.02 0.00 0.00 175.26 176.24 2pag s PRO 14 N -0.08 3.89 0.13 0.39 0.04 -1.26 -4.63 135.00 133.47 2pag s PRO 14 Ca 0.19 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2pag s PRO 14 Cb -0.14 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2pag s PRO 14 CO 0.07 -0.58 0.01 0.14 0.04 0.00 0.00 177.00 176.67 2pag s VAL 15 N -1.25 0.39 0.13 -0.36 -7.23 -1.26 -5.08 120.40 105.75 2pag s VAL 15 Ca 0.58 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 2pag s VAL 15 Cb -0.39 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2pag s VAL 15 CO 0.51 -0.62 1.65 -0.65 -0.31 0.00 0.00 175.10 175.69 2pag h PRO 16 N 2.87 -0.25 -4.65 4.82 0.11 -2.07 -3.36 132.00 129.46 2pag h PRO 16 Ca -0.35 0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.09 2pag h PRO 16 Cb 1.19 0.06 -0.35 0.00 0.11 0.00 0.00 31.00 32.00 2pag h PRO 16 CO 0.62 -0.17 -0.66 0.08 -0.21 0.00 0.00 178.00 177.67 2pag s VAL 17 N -6.11 2.89 0.46 3.15 1.01 -1.26 -5.09 120.40 115.44 2pag s VAL 17 Ca -0.15 -1.86 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 2pag s VAL 17 Cb 0.10 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 2pag s VAL 17 CO 0.67 -0.43 1.16 -2.65 0.00 0.00 0.00 175.10 173.85 2pag n PRO 18 N 4.52 1.59 -2.49 2.72 -0.02 -1.26 -4.97 135.00 135.09 2pag n PRO 18 Ca -0.05 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 2pag n PRO 18 Cb 0.42 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 2pag n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pag s LEU 19 N -1.54 3.75 0.01 2.45 1.43 -1.26 -5.05 118.68 118.46 2pag s LEU 19 Ca 0.65 1.74 -0.02 0.00 -1.03 0.00 0.00 54.13 55.47 2pag s LEU 19 Cb -0.50 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.14 2pag s LEU 19 CO 0.55 -0.68 0.17 -1.61 0.23 0.00 0.00 176.35 175.01 2pag s GLU 20 N -3.61 3.36 -0.13 1.70 2.02 -1.26 -4.81 118.70 115.98 2pag s GLU 20 Ca 0.63 -0.38 -0.15 0.00 0.02 0.00 0.00 54.97 55.09 2pag s GLU 20 Cb -0.12 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 2pag s GLU 20 CO 0.24 0.65 0.34 -1.17 0.02 0.00 0.00 175.26 175.35 2pag s LEU 21 N -2.05 4.29 0.69 1.80 2.96 -1.26 -4.46 118.68 120.65 2pag s LEU 21 Ca 0.28 0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 54.72 2pag s LEU 21 Cb -0.13 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.11 2pag s LEU 21 CO 0.20 0.13 1.07 -2.16 -1.32 0.00 0.00 176.35 174.27 2pag s PRO 22 N 0.20 3.00 0.44 0.98 0.04 -1.26 -5.07 135.00 133.34 2pag s PRO 22 Ca 0.19 0.63 0.07 0.00 0.04 0.00 0.00 61.00 61.94 2pag s PRO 22 Cb -0.14 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2pag s PRO 22 CO 0.07 -0.97 0.37 0.16 0.04 0.00 0.00 177.00 176.67 2pag s ASP 23 N -4.18 4.89 0.32 6.66 1.47 -1.26 -4.76 116.67 119.81 2pag s ASP 23 Ca 0.57 -0.88 0.04 0.00 1.18 0.00 0.00 52.55 53.46 2pag s ASP 23 Cb -0.12 -0.35 0.63 0.00 -0.34 0.00 0.00 42.92 42.75 2pag s ASP 23 CO 0.53 -0.75 1.89 -0.33 0.68 0.00 0.00 175.17 177.19 2pag h GLU 24 N 1.00 0.88 -0.79 2.11 5.08 -1.98 -1.92 114.58 118.96 2pag h GLU 24 Ca -0.40 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2pag h GLU 24 Cb 1.27 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2pag h GLU 24 CO 0.58 0.58 0.37 -0.44 -1.00 0.00 0.00 179.01 179.11 2pag h ASP 25 N 0.91 1.03 -0.58 1.42 3.32 -1.99 -1.43 116.42 119.10 2pag h ASP 25 Ca 0.42 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2pag h ASP 25 Cb 0.41 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2pag h ASP 25 CO -0.19 0.87 0.10 1.56 -1.72 0.00 0.00 179.24 179.87 2pag h GLN 26 N 1.13 0.99 -0.48 3.56 4.20 -1.75 -1.78 115.11 120.98 2pag h GLN 26 Ca 0.27 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 2pag h GLN 26 Cb 0.12 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2pag h GLN 26 CO -0.03 0.91 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.83 2pag h LEU 27 N 0.93 0.90 -0.80 1.46 4.07 -1.07 -2.32 115.31 118.48 2pag h LEU 27 Ca 0.19 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 2pag h LEU 27 Cb 0.40 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 2pag h LEU 27 CO 0.01 1.04 0.48 0.58 -1.08 0.00 0.00 178.44 179.47 2pag h VAL 28 N 0.80 1.23 -0.57 1.22 2.07 -0.93 -1.04 116.25 119.03 2pag h VAL 28 Ca 0.12 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2pag h VAL 28 Cb 0.67 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2pag h VAL 28 CO 0.05 0.24 0.33 -0.33 0.02 0.00 0.00 177.57 177.87 2pag h GLU 29 N 1.10 0.63 -0.44 1.57 5.08 -0.97 -1.01 114.58 120.53 2pag h GLU 29 Ca 0.29 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2pag h GLU 29 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2pag h GLU 29 CO -0.05 0.41 0.18 0.82 -1.00 0.00 0.00 179.01 179.37 2pag h ILE 30 N 0.64 1.20 -0.31 3.13 1.08 -0.94 -1.01 117.51 121.31 2pag h ILE 30 Ca 0.24 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 64.13 2pag h ILE 30 Cb 0.07 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2pag h ILE 30 CO -0.12 0.23 0.10 -0.33 -0.69 0.00 0.00 178.15 177.34 2pag h GLU 31 N 0.56 0.23 -0.77 2.37 5.08 -0.75 -1.82 114.58 119.47 2pag h GLU 31 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2pag h GLU 31 Cb 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2pag h GLU 31 CO -0.01 0.15 0.32 0.93 -1.00 0.00 0.00 179.01 179.40 2pag h GLU 32 N 0.24 1.14 -0.56 2.33 5.08 -1.01 0.24 114.58 122.05 2pag h GLU 32 Ca 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2pag h GLU 32 Cb 0.11 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2pag h GLU 32 CO -0.14 0.92 0.29 1.96 -1.00 0.00 0.00 179.01 181.04 2pag h GLN 33 N 1.12 0.77 -0.02 2.33 4.20 -0.68 -2.42 115.11 120.41 2pag h GLN 33 Ca 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2pag h GLN 33 Cb 0.19 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2pag h GLN 33 CO -0.02 0.58 -0.14 1.28 -0.67 0.00 0.00 178.83 179.85 2pag n LEU 34 N -4.39 2.40 -3.85 1.46 4.77 -0.73 -4.97 117.00 111.68 2pag n LEU 34 Ca 0.05 -0.81 -0.24 0.00 -0.03 0.00 0.00 56.01 54.97 2pag n LEU 34 Cb 0.11 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2pag n LEU 34 CO 0.37 0.41 -0.17 0.33 -1.33 0.00 0.00 177.39 177.00 2pag n PHE 35 N 0.68 -1.75 -4.03 -1.77 7.35 0.77 -4.97 117.46 113.74 2pag n PHE 35 Ca 0.13 0.75 -0.09 0.00 -0.76 0.00 0.00 57.45 57.49 2pag n PHE 35 Cb 0.51 -3.92 -0.09 0.00 0.35 0.00 0.00 39.48 36.33 2pag n PHE 35 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 2pag s ILE 36 N -3.84 0.12 -0.22 -2.13 1.10 -0.75 -5.03 121.20 110.45 2pag s ILE 36 Ca 0.04 -1.62 -0.05 0.00 -0.51 0.00 0.00 60.65 58.51 2pag s ILE 36 Cb -0.01 -1.77 -0.02 0.00 0.15 0.00 0.00 42.46 40.80 2pag s ILE 36 CO 0.86 -0.54 0.00 0.21 -2.11 0.00 0.00 174.94 173.36 2pag s ASN 37 N -2.97 4.72 -0.08 4.50 3.84 -1.26 -4.51 114.94 119.18 2pag s ASN 37 Ca 0.16 -0.27 -0.30 0.00 0.21 0.00 0.00 52.86 52.67 2pag s ASN 37 Cb 0.06 -1.82 -0.02 0.00 -0.55 0.00 0.00 41.25 38.92 2pag s ASN 37 CO -0.03 0.02 1.02 -0.63 -2.79 0.00 0.00 177.10 174.69 2pag s ILE 38 N 1.29 4.74 0.41 -5.21 1.01 -1.26 -4.99 121.20 117.19 2pag s ILE 38 Ca 0.04 2.00 -0.24 0.00 0.00 0.00 0.00 60.65 62.45 2pag s ILE 38 Cb -0.15 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 2pag s ILE 38 CO 0.01 0.03 0.92 -2.65 0.00 0.00 0.00 174.94 173.24 2pag n PRO 39 N 4.82 1.17 -0.08 2.79 -0.02 -1.26 -4.66 135.00 137.75 2pag n PRO 39 Ca 0.08 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 2pag n PRO 39 Cb 0.49 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 2pag n PRO 39 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2pag h PHE 40 N 1.41 -0.97 -0.59 6.00 3.57 -1.94 0.39 116.94 124.81 2pag h PHE 40 Ca -0.43 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2pag h PHE 40 Cb 1.35 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 40.54 2pag h PHE 40 CO 0.42 -0.40 0.22 0.28 -2.23 0.00 0.00 178.31 176.61 2pag h VAL 41 N -0.32 1.21 -0.65 1.41 2.07 -1.98 0.51 116.25 118.51 2pag h VAL 41 Ca 0.14 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2pag h VAL 41 Cb 0.55 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2pag h VAL 41 CO -0.49 0.27 0.28 0.15 0.02 0.00 0.00 177.57 177.80 2pag h PHE 42 N 0.85 0.96 -0.76 1.57 3.04 -1.76 -0.33 116.94 120.50 2pag h PHE 42 Ca 0.20 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2pag h PHE 42 Cb 0.18 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 2pag h PHE 42 CO 0.01 0.74 0.34 -0.22 -2.02 0.00 0.00 178.31 177.17 2pag h LYS 43 N 0.90 1.09 -0.67 1.11 3.64 -0.00 -0.85 116.57 121.78 2pag h LYS 43 Ca 0.22 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2pag h LYS 43 Cb 0.17 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2pag h LYS 43 CO -0.02 0.85 0.32 1.49 -2.27 0.00 0.00 179.45 179.82 2pag h GLU 44 N 1.08 0.97 0.01 1.90 4.81 -0.29 -0.47 114.58 122.59 2pag h GLU 44 Ca 0.26 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2pag h GLU 44 Cb 0.14 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2pag h GLU 44 CO -0.03 0.78 -0.01 0.35 -0.73 0.00 0.00 179.01 179.37 2pag h PHE 45 N 0.94 -0.02 -0.73 0.92 3.57 -0.39 -1.44 116.94 119.79 2pag h PHE 45 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2pag h PHE 45 Cb 0.13 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2pag h PHE 45 CO 0.01 -0.01 0.47 -0.07 -2.23 0.00 0.00 178.31 176.48 2pag h LEU 46 N -0.02 0.84 -0.03 0.59 3.38 -0.83 -0.24 115.31 119.01 2pag h LEU 46 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pag h LEU 46 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2pag h LEU 46 CO -0.00 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.33 2pag n LEU 47 N -4.42 0.45 -0.01 1.67 4.77 -0.22 -3.62 117.00 115.62 2pag n LEU 47 Ca 0.08 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 2pag n LEU 47 Cb 0.04 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 2pag n LEU 47 CO 0.36 -0.13 -0.56 0.35 -1.33 0.00 0.00 177.39 176.08 2pag n THR 48 N -1.92 0.12 -0.83 -5.08 -2.24 -0.57 -4.83 114.28 98.92 2pag n THR 48 Ca 0.06 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2pag n THR 48 Cb 0.37 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2pag n THR 48 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2pag n VAL 49 N -2.00 0.14 1.20 2.28 0.24 -0.15 -4.84 118.33 115.21 2pag n VAL 49 Ca -0.03 -0.15 0.07 0.00 -2.04 0.00 0.00 64.34 62.19 2pag n VAL 49 Cb 0.48 1.08 0.41 0.00 -1.47 0.00 0.00 33.84 34.35 2pag n VAL 49 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2pag n SER 50 N -0.07 0.00 -1.07 -1.34 3.41 -1.20 -1.45 113.62 111.90 2pag n SER 50 Ca 0.00 -0.77 0.11 0.00 -0.26 0.00 0.00 58.87 57.96 2pag n SER 50 Cb 0.41 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.55 2pag n SER 50 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pag n ASP 51 N -0.86 3.31 -4.78 4.04 5.75 -1.26 -4.84 116.55 117.90 2pag n ASP 51 Ca 0.10 -1.96 -0.39 0.00 -0.01 0.00 0.00 54.79 52.53 2pag n ASP 51 Cb 0.05 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 39.87 2pag n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pag s VAL 52 N -1.48 4.60 -0.18 2.12 1.01 -0.53 -4.38 120.40 121.56 2pag s VAL 52 Ca 0.35 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 2pag s VAL 52 Cb 0.21 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2pag s VAL 52 CO 0.30 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 175.06 2pag s VAL 53 N -0.89 2.52 -0.21 2.92 1.01 -1.26 -4.92 120.40 119.57 2pag s VAL 53 Ca 0.33 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 2pag s VAL 53 Cb -0.21 -2.08 0.09 0.00 0.00 0.00 0.00 36.38 34.18 2pag s VAL 53 CO 0.22 0.51 0.81 -0.47 0.00 0.00 0.00 175.10 176.17 2pag s TYR 54 N 1.16 -0.65 0.00 5.22 5.04 -1.26 -0.31 117.35 126.55 2pag s TYR 54 Ca 0.01 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2pag s TYR 54 Cb -0.14 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.51 2pag s TYR 54 CO -0.06 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.16 2pag n GLY 55 N 2.00 1.48 1.12 8.97 0.00 -1.26 -3.85 105.19 113.65 2pag n GLY 55 Ca -0.14 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.38 2pag n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pag n SER 56 N -1.38 3.83 -4.20 1.61 3.41 -1.25 -4.95 113.62 110.69 2pag n SER 56 Ca 0.00 -2.25 -0.26 0.00 -0.26 0.00 0.00 58.87 56.10 2pag n SER 56 Cb 0.00 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.36 2pag n SER 56 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pag s LEU 57 N -1.46 2.06 -0.42 1.04 1.43 -1.25 -5.10 118.68 114.98 2pag s LEU 57 Ca 0.40 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 2pag s LEU 57 Cb 0.24 -0.99 0.11 0.00 0.03 0.00 0.00 46.19 45.59 2pag s LEU 57 CO 0.22 0.22 0.15 -1.61 0.23 0.00 0.00 176.35 175.56 2pag s GLU 58 N -0.57 1.59 1.08 1.70 2.02 -1.26 -4.57 118.70 118.69 2pag s GLU 58 Ca 0.07 -2.11 -0.12 0.00 0.02 0.00 0.00 54.97 52.83 2pag s GLU 58 Cb -0.08 -3.07 0.24 0.00 0.10 0.00 0.00 34.13 31.32 2pag s GLU 58 CO -0.00 -1.03 1.06 -2.14 0.02 0.00 0.00 175.26 173.17 2pag s PRO 59 N 0.45 -0.27 0.67 0.39 0.02 -1.26 -4.47 135.00 130.53 2pag s PRO 59 Ca 0.14 0.80 -0.16 0.00 0.02 0.00 0.00 61.00 61.79 2pag s PRO 59 Cb -0.22 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.67 2pag s PRO 59 CO -0.06 -3.28 1.18 0.14 -0.33 0.00 0.00 177.00 174.66 2pag s VAL 60 N -2.65 2.64 0.24 3.83 -7.23 -0.07 -4.89 120.40 112.27 2pag s VAL 60 Ca 0.67 0.34 0.02 0.00 -1.81 0.00 0.00 61.98 61.19 2pag s VAL 60 Cb -0.23 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2pag s VAL 60 CO 0.62 -0.15 0.06 0.42 -0.31 0.00 0.00 175.10 175.75 2pag s THR 61 N -1.93 0.63 0.00 5.32 -4.23 -0.41 -4.92 115.64 110.10 2pag s THR 61 Ca 0.74 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2pag s THR 61 Cb -0.27 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2pag s THR 61 CO 0.40 -0.15 0.40 1.33 -0.54 0.00 0.00 174.62 176.06 2pag n VAL 62 N -0.41 0.13 0.78 2.29 0.24 -1.26 -0.22 118.33 119.88 2pag n VAL 62 Ca -0.02 -0.18 0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2pag n VAL 62 Cb 0.65 1.27 -0.13 0.00 -1.47 0.00 0.00 33.84 34.17 2pag n VAL 62 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2pag n THR 63 N -0.06 0.00 -3.78 3.34 -2.24 -1.26 -4.80 114.28 105.47 2pag n THR 63 Ca 0.00 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 2pag n THR 63 Cb 0.33 0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 69.23 2pag n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pag s ASP 64 N -3.23 4.04 0.21 3.42 2.15 -1.26 -4.99 116.67 117.03 2pag s ASP 64 Ca 0.05 -2.10 0.13 0.00 0.43 0.00 0.00 52.55 51.06 2pag s ASP 64 Cb 0.15 -1.08 0.68 0.00 -0.30 0.00 0.00 42.92 42.38 2pag s ASP 64 CO 0.85 -0.35 1.34 -0.81 -0.17 0.00 0.00 175.17 176.02 2pag n PRO 65 N 4.26 0.08 0.00 4.34 -0.04 -1.26 -0.92 135.00 141.46 2pag n PRO 65 Ca 0.03 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 2pag n PRO 65 Cb 0.39 -1.86 0.15 0.00 -0.04 0.00 0.00 33.50 32.15 2pag n PRO 65 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2pag n GLN 66 N -1.94 1.14 -2.61 0.54 1.13 -1.26 -4.93 117.38 109.45 2pag n GLN 66 Ca -0.01 -0.86 -0.35 0.00 -1.94 0.00 0.00 57.00 53.84 2pag n GLN 66 Cb 0.11 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 2pag n GLN 66 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2pag s SER 67 N -2.45 6.73 0.00 1.08 0.15 -0.10 -4.94 113.70 114.18 2pag s SER 67 Ca 0.22 1.93 0.21 0.00 0.70 0.00 0.00 55.95 59.00 2pag s SER 67 Cb 0.19 -2.57 1.11 0.00 -1.71 0.00 0.00 66.02 63.03 2pag s SER 67 CO 0.54 -0.51 1.65 0.00 1.20 0.00 0.00 173.24 176.12 2pag n HIS 68 N -0.35 0.00 0.31 3.44 1.44 -1.26 -2.17 115.22 116.63 2pag n HIS 68 Ca 0.06 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.84 2pag n HIS 68 Cb 0.51 -0.20 0.10 0.00 0.12 0.00 0.00 29.99 30.52 2pag n HIS 68 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2pag n THR 69 N -1.20 0.32 -1.61 0.61 -2.24 -1.26 -4.79 114.28 104.11 2pag n THR 69 Ca 0.12 -0.66 -0.48 0.00 -2.27 0.00 0.00 64.05 60.75 2pag n THR 69 Cb 0.14 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.34 2pag n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pag n TYR 70 N 0.74 2.09 -0.26 4.78 9.36 -0.92 -1.29 117.16 131.66 2pag n TYR 70 Ca 0.10 0.05 0.03 0.00 3.32 0.00 0.00 57.90 61.40 2pag n TYR 70 Cb 0.37 -2.64 0.12 0.00 -0.63 0.00 0.00 39.34 36.56 2pag n TYR 70 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2pag h LEU 71 N 10.96 -0.58 -1.13 2.98 5.85 -0.96 -0.69 115.31 131.73 2pag h LEU 71 Ca -0.42 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2pag h LEU 71 Cb 1.28 0.43 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 2pag h LEU 71 CO 0.97 -0.23 0.59 -0.65 -0.34 0.00 0.00 178.44 178.78 2pag h PRO 72 N 0.03 1.15 -0.20 5.25 0.11 -1.89 0.61 132.00 137.05 2pag h PRO 72 Ca 0.38 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 66.23 2pag h PRO 72 Cb 0.62 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2pag h PRO 72 CO -0.74 0.76 -0.65 0.93 -0.21 0.00 0.00 178.00 178.08 2pag h GLU 73 N 1.18 0.76 -0.66 1.05 4.39 -1.59 -2.24 114.58 117.47 2pag h GLU 73 Ca 0.34 -0.54 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 2pag h GLU 73 Cb -0.08 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2pag h GLU 73 CO -0.08 1.16 0.15 0.28 -1.16 0.00 0.00 179.01 179.36 2pag h VAL 74 N 0.55 1.26 -0.10 3.13 2.07 -0.74 -1.84 116.25 120.58 2pag h VAL 74 Ca -0.02 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2pag h VAL 74 Cb 1.26 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2pag h VAL 74 CO 0.13 0.36 0.03 0.00 0.02 0.00 0.00 177.57 178.12 2pag h ALA 76 N 0.86 0.59 -0.24 0.00 0.00 -1.25 0.25 119.26 119.46 2pag h ALA 76 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pag h ALA 76 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2pag h ALA 76 CO -0.00 -0.22 0.06 1.15 0.00 0.00 0.00 179.25 180.25 2pag h THR 77 N 0.35 1.20 -0.23 0.00 2.02 -1.20 -1.58 112.91 113.48 2pag h THR 77 Ca 0.23 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 2pag h THR 77 Cb 0.24 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2pag h THR 77 CO -0.23 0.21 0.00 0.00 0.37 0.00 0.00 175.52 175.87 2pag h ALA 78 N 0.89 0.31 -0.39 6.16 0.00 -0.62 -1.32 119.26 124.29 2pag h ALA 78 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2pag h ALA 78 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pag h ALA 78 CO -0.00 0.04 -0.06 -1.49 0.00 0.00 0.00 179.25 177.74 2pag h TRP 79 N 0.18 0.69 0.00 0.00 6.55 -0.53 -0.63 115.95 122.21 2pag h TRP 79 Ca 0.07 -0.10 -0.10 0.00 0.95 0.00 0.00 58.89 59.71 2pag h TRP 79 Cb 0.40 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 2pag h TRP 79 CO 0.03 0.69 -0.46 -0.44 -1.05 0.00 0.00 178.44 177.21 2pag h ASP 80 N 0.60 0.00 1.46 -3.49 3.32 -1.18 -2.79 116.42 114.34 2pag h ASP 80 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2pag h ASP 80 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2pag h ASP 80 CO 0.02 0.46 0.00 0.25 -1.72 0.00 0.00 179.24 178.26 2pag h LEU 81 N 0.00 0.00 0.00 1.55 5.85 -0.41 -3.47 115.31 118.83 2pag h LEU 81 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pag h LEU 81 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2pag h LEU 81 CO 0.06 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.77 2pag n GLY 82 N 1.09 1.03 3.71 3.75 0.00 -0.73 -5.06 105.19 108.98 2pag n GLY 82 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2pag n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pag s VAL 83 N -0.96 2.70 0.21 1.61 1.01 -0.32 -4.90 120.40 119.75 2pag s VAL 83 Ca 0.00 0.44 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 2pag s VAL 83 Cb 0.00 -3.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 2pag s VAL 83 CO 0.00 0.03 1.31 -2.65 0.00 0.00 0.00 175.10 173.79 2pag n PRO 84 N 4.36 1.69 0.06 2.72 -0.02 -1.26 -4.28 135.00 138.27 2pag n PRO 84 Ca 0.14 0.60 0.19 0.00 -2.02 0.00 0.00 63.50 62.41 2pag n PRO 84 Cb 0.39 -2.20 0.71 0.00 -0.02 0.00 0.00 33.50 32.38 2pag n PRO 84 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2pag h ARG 85 N 3.91 0.00 0.00 -0.52 9.65 -1.92 -0.95 114.38 124.55 2pag h ARG 85 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 2pag h ARG 85 Cb 1.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2pag h ARG 85 CO 0.74 0.00 0.00 -0.85 2.80 0.00 0.00 179.97 182.66 2pag n GLU 86 N -4.24 0.11 -4.01 0.20 0.28 -1.26 -4.67 120.64 107.05 2pag n GLU 86 Ca 0.07 0.34 -0.35 0.00 -0.16 0.00 0.00 57.16 57.06 2pag n GLU 86 Cb 0.53 -1.71 -0.09 0.00 1.43 0.00 0.00 31.44 31.60 2pag n GLU 86 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pag s LEU 87 N -3.84 3.88 -0.26 -1.84 1.43 -0.36 -4.36 118.68 113.32 2pag s LEU 87 Ca 0.06 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 2pag s LEU 87 Cb 0.10 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2pag s LEU 87 CO 0.35 0.22 0.09 -0.63 0.23 0.00 0.00 176.35 176.62 2pag s ILE 88 N 0.09 4.42 0.36 -0.59 1.01 -0.76 -4.84 121.20 120.90 2pag s ILE 88 Ca 0.06 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 2pag s ILE 88 Cb -0.12 -3.11 -0.11 0.00 0.01 0.00 0.00 42.46 39.12 2pag s ILE 88 CO 0.01 0.27 1.51 -2.65 0.00 0.00 0.00 174.94 174.08 2pag n PRO 89 N 4.94 2.69 -0.02 2.79 -0.02 -1.26 -0.15 135.00 143.97 2pag n PRO 89 Ca -0.16 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2pag n PRO 89 Cb 0.51 -2.69 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 2pag n PRO 89 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2pag n ILE 90 N 0.77 0.28 -3.61 4.25 3.06 0.90 -4.84 119.36 120.18 2pag n ILE 90 Ca 0.03 -0.28 -0.03 0.00 -2.50 0.00 0.00 62.75 59.97 2pag n ILE 90 Cb 0.38 -0.25 -0.06 0.00 0.54 0.00 0.00 39.64 40.26 2pag n ILE 90 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2pag s GLN 92 N 2.08 4.39 -0.40 0.00 0.74 -1.26 -0.60 119.66 124.61 2pag s GLN 92 Ca -0.08 1.26 0.03 0.00 0.05 0.00 0.00 55.36 56.62 2pag s GLN 92 Cb -0.07 -2.51 0.16 0.00 1.10 0.00 0.00 33.01 31.69 2pag s GLN 92 CO -0.18 0.10 0.37 0.34 -0.55 0.00 0.00 175.29 175.37 2pag s ASP 93 N -1.85 1.30 1.30 6.67 2.15 0.01 -4.67 116.67 121.57 2pag s ASP 93 Ca 0.56 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.31 2pag s ASP 93 Cb -0.15 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2pag s ASP 93 CO 0.20 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 2pag n GLY 94 N 3.57 2.79 1.00 2.66 0.00 -1.26 -1.71 105.19 112.22 2pag n GLY 94 Ca 0.19 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2pag n GLY 94 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pag n GLU 95 N 12.59 2.29 -3.53 1.61 0.28 -1.26 -4.95 120.64 127.67 2pag n GLU 95 Ca 0.00 -2.02 -0.19 0.00 -0.16 0.00 0.00 57.16 54.79 2pag n GLU 95 Cb 0.00 -1.46 -0.01 0.00 1.43 0.00 0.00 31.44 31.40 2pag n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pag s ASP 96 N -1.72 5.96 -0.04 -1.84 1.01 -0.70 -4.02 116.67 115.32 2pag s ASP 96 Ca 0.31 -0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.37 2pag s ASP 96 Cb 0.20 -1.27 0.03 0.00 1.01 0.00 0.00 42.92 42.89 2pag s ASP 96 CO 0.29 -0.40 0.09 -0.31 0.21 0.00 0.00 175.17 175.06 2pag s TYR 97 N -2.16 -0.08 -0.16 4.23 2.02 -0.74 -0.81 117.35 119.65 2pag s TYR 97 Ca 0.44 0.32 -0.24 0.00 -0.37 0.00 0.00 57.07 57.22 2pag s TYR 97 Cb -0.09 -0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.31 2pag s TYR 97 CO 0.31 -0.13 0.75 0.71 -1.57 0.00 0.00 175.55 175.62 2pag s TYR 98 N 1.04 3.43 0.16 2.71 2.02 0.24 -0.57 117.35 126.38 2pag s TYR 98 Ca -0.08 1.16 0.07 0.00 -0.37 0.00 0.00 57.07 57.85 2pag s TYR 98 Cb -0.11 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 2pag s TYR 98 CO -0.04 -0.17 -0.14 0.00 -1.57 0.00 0.00 175.55 173.63 2pag s VAL 100 N -2.58 3.38 0.84 0.00 1.01 0.79 0.02 120.40 123.87 2pag s VAL 100 Ca 0.16 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 2pag s VAL 100 Cb -0.03 -2.45 0.10 0.00 0.00 0.00 0.00 36.38 34.00 2pag s VAL 100 CO 0.04 0.51 1.11 -1.61 0.00 0.00 0.00 175.10 175.16 2pag s GLU 101 N 0.35 1.73 0.47 2.72 2.02 0.54 -1.82 118.70 124.70 2pag s GLU 101 Ca -0.08 0.50 0.12 0.00 0.02 0.00 0.00 54.97 55.52 2pag s GLU 101 Cb -0.15 -1.89 1.07 0.00 0.10 0.00 0.00 34.13 33.26 2pag s GLU 101 CO 0.05 -1.84 2.10 0.93 0.02 0.00 0.00 175.26 176.52 2pag h GLU 102 N -1.24 0.23 -0.29 1.61 5.08 -1.89 -1.06 114.58 117.02 2pag h GLU 102 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2pag h GLU 102 Cb 1.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2pag h GLU 102 CO 0.60 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 178.38 2pag n ASP 103 N -4.50 1.85 0.00 1.42 5.68 -1.26 -4.70 116.55 115.05 2pag n ASP 103 Ca -0.00 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 2pag n ASP 103 Cb 0.09 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 2pag n ASP 103 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pag n GLY 104 N 1.10 1.44 3.77 6.12 0.00 -0.40 -5.06 105.19 112.16 2pag n GLY 104 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2pag n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pag s THR 105 N -2.37 2.38 -0.19 2.61 2.01 -1.26 -4.05 115.64 114.78 2pag s THR 105 Ca 0.00 0.38 -0.09 0.00 0.31 0.00 0.00 61.69 62.29 2pag s THR 105 Cb 0.00 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 2pag s THR 105 CO 0.00 0.09 0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 2pag s VAL 106 N -0.96 5.24 0.32 3.82 1.01 -0.40 -0.34 120.40 129.09 2pag s VAL 106 Ca 0.52 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.70 2pag s VAL 106 Cb -0.43 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2pag s VAL 106 CO 0.56 0.46 -0.04 -0.76 0.00 0.00 0.00 175.10 175.32 2pag s LEU 107 N 0.25 2.57 -0.19 3.92 1.43 0.10 -1.16 118.68 125.61 2pag s LEU 107 Ca 0.07 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 51.92 2pag s LEU 107 Cb -0.11 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2pag s LEU 107 CO -0.01 -0.36 -0.14 -0.22 0.23 0.00 0.00 176.35 175.84 2pag s LEU 108 N -3.54 2.42 -0.26 1.79 2.96 -1.25 -0.59 118.68 120.21 2pag s LEU 108 Ca 0.32 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.59 2pag s LEU 108 Cb 0.05 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2pag s LEU 108 CO 0.15 0.01 0.15 0.86 -1.32 0.00 0.00 176.35 176.20 2pag s TRP 109 N 1.26 3.20 -0.13 5.38 -0.00 0.27 -0.89 118.94 128.03 2pag s TRP 109 Ca 0.03 0.01 -0.18 0.00 -0.00 0.00 0.00 56.10 55.96 2pag s TRP 109 Cb -0.14 -2.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.97 2pag s TRP 109 CO -0.08 -0.16 0.47 0.45 -0.00 0.00 0.00 176.95 177.64 2pag s SER 110 N 1.56 6.65 0.00 5.86 0.15 -1.26 -1.79 113.70 124.86 2pag s SER 110 Ca 0.07 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2pag s SER 110 Cb -0.15 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2pag s SER 110 CO 0.08 -0.02 0.82 0.00 1.20 0.00 0.00 173.24 175.32 2pag n ALA 111 N 3.82 0.89 -0.67 5.45 0.00 -1.26 -4.74 120.51 124.00 2pag n ALA 111 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 2pag n ALA 111 Cb 0.51 -2.18 0.11 0.00 0.00 0.00 0.00 19.45 17.89 2pag n ALA 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pag n LEU 115 N 4.44 -1.95 -4.76 0.00 7.94 -1.26 -5.07 117.00 116.33 2pag n LEU 115 Ca 0.00 -0.21 -0.40 0.00 -1.11 0.00 0.00 56.01 54.29 2pag n LEU 115 Cb 0.00 -0.73 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 2pag n LEU 115 CO 0.41 -2.92 0.81 -0.69 -1.11 0.00 0.00 177.39 173.90 2pag s VAL 116 N -2.09 3.38 0.00 1.96 1.01 -1.26 -4.60 120.40 118.80 2pag s VAL 116 Ca 0.36 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2pag s VAL 116 Cb -0.04 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2pag s VAL 116 CO 0.42 0.26 0.00 0.35 0.00 0.00 0.00 175.10 176.13 2pag n THR 117 N 0.85 0.00 0.80 3.92 -2.24 -0.07 -4.87 114.28 112.67 2pag n THR 117 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 2pag n THR 117 Cb 0.45 -1.97 0.12 0.00 -2.10 0.00 0.00 70.33 66.83 2pag n THR 117 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2pag n GLU 118 N -0.81 0.14 -3.41 -0.78 0.00 -1.26 -4.87 120.64 109.64 2pag n GLU 118 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.79 2pag n GLU 118 Cb 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 31.44 29.82 2pag n GLU 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2pag s GLU 119 N -3.09 4.04 0.20 3.44 -1.05 -1.26 -5.08 118.70 115.90 2pag s GLU 119 Ca 0.08 0.53 -0.12 0.00 -0.15 0.00 0.00 54.97 55.30 2pag s GLU 119 Cb 0.16 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 2pag s GLU 119 CO 0.76 0.64 0.41 -1.54 0.95 0.00 0.00 175.26 176.47 2pag s SER 120 N -0.97 -0.08 -0.02 0.83 1.04 -1.26 -3.78 113.70 109.46 2pag s SER 120 Ca 0.26 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 55.94 2pag s SER 120 Cb -0.18 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2pag s SER 120 CO 0.15 -1.01 -0.17 0.26 0.98 0.00 0.00 173.24 173.45 2pag s TRP 121 N -3.96 1.55 0.55 5.02 0.51 -0.31 -4.99 118.94 117.31 2pag s TRP 121 Ca 0.17 -0.33 0.23 0.00 -2.12 0.00 0.00 56.10 54.05 2pag s TRP 121 Cb 0.01 -1.01 1.47 0.00 -0.81 0.00 0.00 33.47 33.13 2pag s TRP 121 CO 0.02 -0.06 2.12 0.93 -0.51 0.00 0.00 176.95 179.46 2pag h GLU 122 N 5.85 0.00 -3.11 4.98 3.07 -1.92 -1.05 114.58 122.41 2pag h GLU 122 Ca -0.36 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.54 2pag h GLU 122 Cb 1.16 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.99 2pag h GLU 122 CO 0.48 0.00 0.17 -1.54 -1.40 0.00 0.00 179.01 176.72 2pag s SER 123 N -6.45 -0.29 0.48 1.42 1.04 -1.26 -4.32 113.70 104.33 2pag s SER 123 Ca -0.05 -0.54 0.16 0.00 0.48 0.00 0.00 55.95 56.01 2pag s SER 123 Cb 0.17 0.68 1.14 0.00 0.10 0.00 0.00 66.02 68.11 2pag s SER 123 CO 0.64 -1.23 2.05 0.58 0.98 0.00 0.00 173.24 176.25 2pag h VAL 124 N 2.05 1.03 -0.03 5.02 2.07 -1.88 -1.45 116.25 123.07 2pag h VAL 124 Ca -0.23 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 66.70 2pag h VAL 124 Cb 1.26 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2pag h VAL 124 CO 0.28 0.12 -0.69 -0.50 0.02 0.00 0.00 177.57 176.81 2pag h TRP 125 N 0.00 0.22 -0.53 1.57 -0.00 -1.95 0.60 115.95 115.86 2pag h TRP 125 Ca -0.00 -0.10 -0.10 0.00 -0.00 0.00 0.00 58.89 58.69 2pag h TRP 125 Cb 0.22 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.33 2pag h TRP 125 CO 0.00 0.80 -0.05 0.45 -0.00 0.00 0.00 178.44 179.64 2pag h HIS 126 N 0.11 1.07 -0.52 0.49 3.86 -1.69 -0.85 115.15 117.63 2pag h HIS 126 Ca -0.02 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 58.94 2pag h HIS 126 Cb 1.23 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 2pag h HIS 126 CO 0.02 0.99 0.14 2.35 0.86 0.00 0.00 177.93 182.29 2pag h TRP 127 N 0.84 0.86 -0.71 2.45 7.01 -1.12 0.27 115.95 125.55 2pag h TRP 127 Ca 0.14 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 2pag h TRP 127 Cb 0.60 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 2pag h TRP 127 CO 0.04 0.75 0.29 0.00 -2.79 0.00 0.00 178.44 176.73 2pag h ALA 128 N 1.01 0.92 0.01 2.65 0.00 -0.64 0.16 119.26 123.37 2pag h ALA 128 Ca 0.16 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2pag h ALA 128 Cb 0.31 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pag h ALA 128 CO -0.00 0.54 -0.50 -0.09 0.00 0.00 0.00 179.25 179.20 2pag h ARG 129 N 1.02 0.32 0.00 0.00 2.43 -0.99 0.02 114.38 117.17 2pag h ARG 129 Ca 0.24 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2pag h ARG 129 Cb 0.20 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2pag h ARG 129 CO -0.02 1.05 -0.76 -0.25 -1.51 0.00 0.00 179.97 178.48 2pag n ASP 130 N -4.31 0.64 0.04 -3.80 8.00 0.94 -4.20 116.55 113.88 2pag n ASP 130 Ca -0.10 -0.05 -0.00 0.00 0.71 0.00 0.00 54.79 55.34 2pag n ASP 130 Cb 0.63 0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 42.14 2pag n ASP 130 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2pag n VAL 131 N -1.98 1.15 0.14 2.53 0.31 0.49 -4.57 118.33 116.40 2pag n VAL 131 Ca 0.03 0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 64.59 2pag n VAL 131 Cb 0.42 -1.60 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 2pag n VAL 131 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2pag h TRP 132 N -0.03 -0.27 0.00 3.52 7.01 -1.33 -2.50 115.95 122.34 2pag h TRP 132 Ca -0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2pag h TRP 132 Cb 0.11 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2pag h TRP 132 CO -0.01 -0.10 0.00 1.28 -2.79 0.00 0.00 178.44 176.81 2pag n LEU 133 N -5.18 0.00 -1.00 0.65 4.77 -0.02 -1.78 117.00 114.45 2pag n LEU 133 Ca -0.09 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 2pag n LEU 133 Cb 0.17 -0.46 0.17 0.00 -2.33 0.00 0.00 43.42 40.97 2pag n LEU 133 CO 0.34 -0.23 0.65 -0.62 -1.33 0.00 0.00 177.39 176.20 2pag n GLU 134 N -1.46 2.29 0.00 3.23 -0.58 -0.98 -5.04 120.64 118.10 2pag n GLU 134 Ca 0.04 -2.10 0.15 0.00 -0.42 0.00 0.00 57.16 54.83 2pag n GLU 134 Cb 0.16 -1.45 0.65 0.00 -0.57 0.00 0.00 31.44 30.23 2pag n GLU 134 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52