#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awf s LEU 2 N 0.00 4.25 -0.19 0.99 2.96 -1.26 -5.08 118.68 120.35 2awf s LEU 2 Ca 0.00 -0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 53.41 2awf s LEU 2 Cb 0.00 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2awf s LEU 2 CO 0.00 -0.15 0.81 -0.69 -1.32 0.00 0.00 176.35 175.00 2awf s VAL 3 N 1.72 4.88 0.39 1.68 1.01 -1.26 -5.03 120.40 123.80 2awf s VAL 3 Ca 0.06 1.57 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 2awf s VAL 3 Cb -0.17 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 2awf s VAL 3 CO 0.10 0.00 1.27 -2.65 0.00 0.00 0.00 175.10 173.82 2awf n PRO 4 N 5.45 1.98 -0.25 2.72 -0.02 -1.26 -4.87 135.00 138.76 2awf n PRO 4 Ca 0.04 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.16 2awf n PRO 4 Cb 0.48 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2awf n PRO 4 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2awf h ARG 5 N 2.24 0.98 0.00 -0.52 9.65 -1.92 -2.23 114.38 122.58 2awf h ARG 5 Ca -0.47 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 2awf h ARG 5 Cb 1.29 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2awf h ARG 5 CO 0.61 0.75 0.00 0.41 2.80 0.00 0.00 179.97 184.54 2awf n GLY 6 N -1.02 -0.64 0.30 2.80 0.00 -1.26 -3.87 105.19 101.51 2awf n GLY 6 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2awf n GLY 6 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2awf h SER 7 N 0.00 0.91 -0.42 1.61 0.02 -1.75 -1.39 113.55 112.52 2awf h SER 7 Ca 0.00 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2awf h SER 7 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2awf h SER 7 CO 0.00 0.71 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.28 2awf h LEU 8 N 1.04 0.77 0.12 5.07 3.38 -1.82 -0.01 115.31 123.86 2awf h LEU 8 Ca 0.27 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2awf h LEU 8 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2awf h LEU 8 CO -0.05 0.93 -0.13 -0.07 0.09 0.00 0.00 178.44 179.20 2awf h LEU 9 N 0.61 -0.36 -0.56 1.67 3.38 -1.73 -1.32 115.31 117.00 2awf h LEU 9 Ca 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2awf h LEU 9 Cb 0.56 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2awf h LEU 9 CO 0.03 -0.20 0.31 -0.07 0.09 0.00 0.00 178.44 178.60 2awf h LEU 10 N -0.28 0.70 -0.87 1.67 3.38 -1.18 -0.94 115.31 117.79 2awf h LEU 10 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2awf h LEU 10 Cb 0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2awf h LEU 10 CO -0.05 0.59 0.53 0.03 0.09 0.00 0.00 178.44 179.63 2awf h ARG 11 N 0.76 1.18 -0.23 1.13 3.08 -0.91 -0.58 114.38 118.82 2awf h ARG 11 Ca 0.20 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2awf h ARG 11 Cb 0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2awf h ARG 11 CO -0.03 0.83 0.04 0.00 -1.07 0.00 0.00 179.97 179.74 2awf h ARG 12 N 1.20 0.39 -0.40 0.04 3.08 -0.76 -1.41 114.38 116.52 2awf h ARG 12 Ca 0.31 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.30 2awf h ARG 12 Cb -0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2awf h ARG 12 CO -0.06 0.52 0.17 1.96 -1.07 0.00 0.00 179.97 181.49 2awf h GLN 13 N 0.19 0.35 -0.35 0.04 4.20 -1.02 0.25 115.11 118.76 2awf h GLN 13 Ca 0.07 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2awf h GLN 13 Cb 0.32 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2awf h GLN 13 CO 0.00 0.23 0.18 1.25 -0.67 0.00 0.00 178.83 179.83 2awf h LEU 14 N 0.36 0.28 -0.39 1.46 5.85 -0.99 0.15 115.31 122.03 2awf h LEU 14 Ca 0.18 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2awf h LEU 14 Cb 0.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2awf h LEU 14 CO -0.15 0.20 0.10 0.00 -0.34 0.00 0.00 178.44 178.26 2awf h ALA 15 N 1.17 0.52 -0.50 1.25 0.00 -0.81 -0.22 119.26 120.67 2awf h ALA 15 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2awf h ALA 15 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2awf h ALA 15 CO -0.09 0.19 0.29 0.93 0.00 0.00 0.00 179.25 180.57 2awf h GLU 16 N 0.49 0.56 -0.61 0.00 5.08 -0.30 -1.14 114.58 118.66 2awf h GLU 16 Ca 0.12 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2awf h GLU 16 Cb 0.30 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2awf h GLU 16 CO 0.00 0.37 0.39 -0.07 -1.00 0.00 0.00 179.01 178.70 2awf h LEU 17 N 0.57 0.65 -1.50 1.33 3.38 -0.76 -0.91 115.31 118.08 2awf h LEU 17 Ca 0.21 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2awf h LEU 17 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2awf h LEU 17 CO -0.11 0.46 -0.25 0.78 0.09 0.00 0.00 178.44 179.41 2awf h ASN 18 N 0.77 0.00 0.68 -0.43 2.35 -0.54 -2.87 115.58 115.54 2awf h ASN 18 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2awf h ASN 18 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2awf h ASN 18 CO -0.08 0.25 -0.76 0.29 -1.65 0.00 0.00 177.43 175.48 2awf n LYS 19 N -4.16 0.27 -3.23 0.81 5.02 -0.48 -4.26 118.16 112.13 2awf n LYS 19 Ca -0.02 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 2awf n LYS 19 Cb 0.31 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 2awf n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2awf n ASN 20 N -2.01 2.67 -4.75 4.39 3.02 -0.38 -5.09 115.26 113.12 2awf n ASN 20 Ca 0.03 -3.26 -0.38 0.00 -0.03 0.00 0.00 54.58 50.94 2awf n ASN 20 Cb 0.43 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 39.01 2awf n ASN 20 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2awf s PRO 21 N -2.38 3.09 0.05 3.52 0.04 -1.14 -4.78 135.00 133.40 2awf s PRO 21 Ca 0.41 2.10 0.07 0.00 0.04 0.00 0.00 61.00 63.62 2awf s PRO 21 Cb 0.21 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2awf s PRO 21 CO -0.07 -1.19 -0.17 0.08 0.04 0.00 0.00 177.00 175.69 2awf s VAL 22 N -1.38 2.90 0.18 -0.36 1.01 -1.26 -5.10 120.40 116.40 2awf s VAL 22 Ca 0.73 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2awf s VAL 22 Cb -0.37 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 2awf s VAL 22 CO 0.43 0.32 1.52 -0.70 0.00 0.00 0.00 175.10 176.67 2awf s GLU 23 N -1.52 4.23 0.00 2.72 2.12 -1.26 -3.73 118.70 121.27 2awf s GLU 23 Ca 0.15 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.81 2awf s GLU 23 Cb -0.11 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2awf s GLU 23 CO 0.06 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 2awf n GLY 24 N 3.31 0.82 3.49 -1.50 0.00 -1.26 -5.02 105.19 105.03 2awf n GLY 24 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2awf n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2awf s PHE 25 N -2.42 -0.61 0.04 1.61 -0.12 -1.24 -1.12 117.98 114.12 2awf s PHE 25 Ca 0.00 0.93 0.07 0.00 -0.05 0.00 0.00 56.93 57.88 2awf s PHE 25 Cb 0.00 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 2awf s PHE 25 CO 0.00 -0.64 -0.19 -1.12 -0.05 0.00 0.00 175.22 173.22 2awf s SER 26 N -1.49 2.26 -0.02 1.98 0.01 -0.47 -4.43 113.70 111.54 2awf s SER 26 Ca -0.09 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 56.73 2awf s SER 26 Cb -0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2awf s SER 26 CO 0.05 0.14 -0.16 0.00 0.41 0.00 0.00 173.24 173.68 2awf s ALA 27 N -0.78 1.37 0.31 1.44 0.00 -1.26 0.48 121.76 123.31 2awf s ALA 27 Ca 0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 2awf s ALA 27 Cb -0.08 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.73 2awf s ALA 27 CO 0.01 0.33 0.84 0.20 0.00 0.00 0.00 175.76 177.14 2awf s GLY 28 N -0.34 0.19 0.27 0.00 0.00 -0.50 -4.94 107.32 101.99 2awf s GLY 28 Ca 0.05 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 2awf s GLY 28 CO -0.00 0.30 0.95 1.08 0.00 0.00 0.00 173.10 175.43 2awf s LEU 29 N -3.10 4.56 0.22 0.66 1.43 -1.26 -0.12 118.68 121.06 2awf s LEU 29 Ca 0.16 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2awf s LEU 29 Cb -0.04 -3.72 0.19 0.00 0.03 0.00 0.00 46.19 42.65 2awf s LEU 29 CO 0.09 0.07 1.61 0.40 0.23 0.00 0.00 176.35 178.75 2awf h ILE 30 N 2.99 1.28 -3.27 -0.59 2.04 -1.63 -3.43 117.51 114.90 2awf h ILE 30 Ca -0.46 -1.41 -0.34 0.00 1.00 0.00 0.00 64.86 63.65 2awf h ILE 30 Cb 1.20 1.33 -0.37 0.00 -0.74 0.00 0.00 36.82 38.23 2awf h ILE 30 CO 0.67 0.46 -0.71 -0.62 0.00 0.00 0.00 178.15 177.96 2awf s ASP 31 N -6.79 0.90 0.66 1.72 3.68 -1.26 -5.04 116.67 110.55 2awf s ASP 31 Ca -0.09 0.15 0.36 0.00 2.13 0.00 0.00 52.55 55.11 2awf s ASP 31 Cb 0.13 -0.02 1.99 0.00 -1.45 0.00 0.00 42.92 43.57 2awf s ASP 31 CO 0.83 -0.23 2.13 0.44 0.13 0.00 0.00 175.17 178.47 2awf h ASP 32 N 8.28 0.00 0.88 -0.34 3.32 -1.97 0.91 116.42 127.50 2awf h ASP 32 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2awf h ASP 32 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2awf h ASP 32 CO 0.19 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 2awf n ASN 33 N -3.02 0.54 -3.65 6.45 3.02 -1.26 -4.70 115.26 112.64 2awf n ASN 33 Ca -0.02 0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 54.85 2awf n ASN 33 Cb 0.24 -0.73 -0.16 0.00 -0.61 0.00 0.00 39.78 38.53 2awf n ASN 33 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2awf s ASP 34 N -4.01 3.33 0.05 6.41 -1.08 0.31 -4.99 116.67 116.70 2awf s ASP 34 Ca 0.07 -1.16 0.24 0.00 -0.52 0.00 0.00 52.55 51.18 2awf s ASP 34 Cb 0.11 -0.53 0.99 0.00 -1.46 0.00 0.00 42.92 42.02 2awf s ASP 34 CO 0.43 -0.39 1.76 0.18 0.52 0.00 0.00 175.17 177.67 2awf n LEU 35 N 5.10 0.16 0.00 -1.34 4.77 -1.26 -3.50 117.00 120.93 2awf n LEU 35 Ca -0.06 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 2awf n LEU 35 Cb 0.44 -0.48 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 2awf n LEU 35 CO 0.09 -0.14 0.25 -1.22 -1.33 0.00 0.00 177.39 175.04 2awf n TYR 36 N -1.66 0.01 -3.96 -1.77 4.02 -1.26 -4.76 117.16 107.79 2awf n TYR 36 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.64 2awf n TYR 36 Cb 0.29 -0.16 -0.15 0.00 -0.02 0.00 0.00 39.34 39.30 2awf n TYR 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2awf s ARG 37 N -3.01 1.37 0.22 -0.72 0.52 -1.23 0.08 118.95 116.19 2awf s ARG 37 Ca 0.10 -1.79 0.06 0.00 -0.52 0.00 0.00 55.73 53.58 2awf s ARG 37 Cb 0.17 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2awf s ARG 37 CO 0.77 -0.97 0.21 -1.58 0.02 0.00 0.00 175.30 173.75 2awf s TRP 38 N 0.93 3.19 0.07 -0.53 0.52 0.01 -1.77 118.94 121.36 2awf s TRP 38 Ca 0.11 -0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.25 2awf s TRP 38 Cb -0.19 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 2awf s TRP 38 CO -0.10 0.51 -0.22 -1.83 0.02 0.00 0.00 176.95 175.33 2awf s GLU 39 N -3.65 1.32 -0.07 4.98 -1.05 0.82 -0.73 118.70 120.33 2awf s GLU 39 Ca 0.33 -1.06 0.03 0.00 -0.15 0.00 0.00 54.97 54.11 2awf s GLU 39 Cb -0.09 -1.52 0.01 0.00 -0.44 0.00 0.00 34.13 32.09 2awf s GLU 39 CO 0.25 0.38 -0.14 0.08 0.95 0.00 0.00 175.26 176.78 2awf s VAL 40 N -0.94 1.23 -0.18 1.83 1.01 -0.29 -1.41 120.40 121.65 2awf s VAL 40 Ca 0.08 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2awf s VAL 40 Cb -0.09 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2awf s VAL 40 CO 0.03 0.37 0.10 -0.76 0.00 0.00 0.00 175.10 174.85 2awf s LEU 41 N 0.57 4.07 -0.08 3.92 1.43 0.18 -0.94 118.68 127.83 2awf s LEU 41 Ca -0.14 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2awf s LEU 41 Cb -0.15 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2awf s LEU 41 CO 0.04 0.21 -0.13 -0.63 0.23 0.00 0.00 176.35 176.07 2awf s ILE 42 N 0.18 1.26 -0.06 -0.59 1.01 0.93 -1.37 121.20 122.55 2awf s ILE 42 Ca 0.07 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.94 2awf s ILE 42 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2awf s ILE 42 CO -0.01 0.39 0.77 -0.63 0.00 0.00 0.00 174.94 175.46 2awf s ILE 43 N 0.82 5.00 0.14 2.92 1.01 -0.27 -0.83 121.20 129.98 2awf s ILE 43 Ca -0.11 1.58 -0.31 0.00 0.00 0.00 0.00 60.65 61.81 2awf s ILE 43 Cb -0.15 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 2awf s ILE 43 CO 0.02 0.21 1.83 -0.83 0.00 0.00 0.00 174.94 176.17 2awf s GLY 44 N 0.87 1.29 0.52 6.18 0.00 -0.11 -4.94 107.32 111.13 2awf s GLY 44 Ca 0.40 1.50 -0.21 0.00 0.00 0.00 0.00 44.72 46.41 2awf s GLY 44 CO 0.20 3.12 1.23 -4.14 0.00 0.00 0.00 173.10 173.51 2awf s PRO 45 N 2.46 3.37 0.76 2.90 0.02 -1.26 -4.36 135.00 138.89 2awf s PRO 45 Ca 0.80 1.91 -0.15 0.00 0.02 0.00 0.00 61.00 63.59 2awf s PRO 45 Cb -0.47 -2.23 0.05 0.00 0.02 0.00 0.00 34.50 31.88 2awf s PRO 45 CO 0.36 -0.91 1.21 -0.35 -0.33 0.00 0.00 177.00 176.98 2awf n PRO 46 N -0.95 0.44 -3.26 5.54 -0.04 -1.26 -3.19 135.00 132.28 2awf n PRO 46 Ca 0.10 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.55 2awf n PRO 46 Cb 0.48 -2.45 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 2awf n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2awf n ASP 47 N -2.82 -4.52 -4.39 3.54 2.03 -1.26 -4.92 116.55 104.20 2awf n ASP 47 Ca 0.14 -0.36 -0.19 0.00 0.52 0.00 0.00 54.79 54.90 2awf n ASP 47 Cb 0.50 -3.70 -0.10 0.00 -0.72 0.00 0.00 41.12 37.09 2awf n ASP 47 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2awf s THR 48 N -3.02 1.10 0.52 5.18 -4.23 -1.21 -5.01 115.64 108.97 2awf s THR 48 Ca 0.37 -2.02 0.40 0.00 -1.18 0.00 0.00 61.69 59.26 2awf s THR 48 Cb -0.19 -2.60 0.59 0.00 1.34 0.00 0.00 72.50 71.65 2awf s THR 48 CO 0.46 -0.13 1.36 -0.11 -0.54 0.00 0.00 174.62 175.65 2awf n LEU 49 N -0.56 0.00 -0.51 4.79 -0.00 -1.26 -2.25 117.00 117.22 2awf n LEU 49 Ca -0.03 0.85 0.08 0.00 -0.00 0.00 0.00 56.01 56.91 2awf n LEU 49 Cb 0.65 -0.40 0.04 0.00 -0.00 0.00 0.00 43.42 43.71 2awf n LEU 49 CO 0.40 -0.85 0.39 -1.22 -0.00 0.00 0.00 177.39 176.11 2awf n TYR 50 N -3.57 0.00 -1.75 1.96 4.02 -1.26 -4.97 117.16 111.59 2awf n TYR 50 Ca 0.36 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.84 2awf n TYR 50 Cb 1.73 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 41.06 2awf n TYR 50 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2awf n GLU 51 N 0.43 2.39 0.00 -0.72 2.13 -0.95 -0.26 120.64 123.66 2awf n GLU 51 Ca 0.08 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2awf n GLU 51 Cb 0.36 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.52 2awf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2awf n GLY 52 N 0.58 3.09 3.85 8.31 0.00 -1.26 -5.02 105.19 114.75 2awf n GLY 52 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2awf n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2awf s GLY 53 N -1.43 1.88 -0.05 -0.02 0.00 0.63 -4.96 107.32 103.37 2awf s GLY 53 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 2awf s GLY 53 CO 0.00 0.34 0.13 0.54 0.00 0.00 0.00 173.10 174.11 2awf s VAL 54 N -2.87 -0.01 -0.01 1.40 0.11 -1.26 -0.94 120.40 116.82 2awf s VAL 54 Ca 0.57 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.67 2awf s VAL 54 Cb -0.11 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2awf s VAL 54 CO 0.42 0.01 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.80 2awf s PHE 55 N 0.26 0.40 -0.17 1.54 0.08 -0.01 -4.97 117.98 115.11 2awf s PHE 55 Ca -0.02 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 2awf s PHE 55 Cb -0.03 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 2awf s PHE 55 CO -0.01 -0.03 0.06 0.21 -0.10 0.00 0.00 175.22 175.35 2awf s LYS 56 N 0.06 3.82 0.17 0.44 2.20 -1.26 -0.05 119.74 125.11 2awf s LYS 56 Ca -0.00 -0.34 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 2awf s LYS 56 Cb -0.03 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 2awf s LYS 56 CO -0.00 0.37 -0.16 0.00 -0.36 0.00 0.00 175.35 175.19 2awf s ALA 57 N 0.10 1.90 -0.11 3.13 0.00 -0.11 -0.50 121.76 126.18 2awf s ALA 57 Ca 0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 2awf s ALA 57 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 2awf s ALA 57 CO 0.01 0.16 -0.00 -1.01 0.00 0.00 0.00 175.76 174.92 2awf s HIS 58 N -2.32 3.14 -0.22 0.00 3.76 0.94 -1.14 115.29 119.45 2awf s HIS 58 Ca 0.16 0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.19 2awf s HIS 58 Cb -0.04 -1.84 0.04 0.00 1.11 0.00 0.00 32.58 31.85 2awf s HIS 58 CO 0.06 0.35 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.98 2awf s LEU 59 N -0.55 2.81 -0.20 0.89 2.96 0.09 -1.34 118.68 123.35 2awf s LEU 59 Ca 0.09 -1.05 0.00 0.00 -0.22 0.00 0.00 54.13 52.96 2awf s LEU 59 Cb -0.12 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.09 2awf s LEU 59 CO 0.02 -0.11 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.89 2awf s THR 60 N 1.20 2.27 -0.00 3.68 2.01 -0.16 -0.81 115.64 123.82 2awf s THR 60 Ca -0.03 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 2awf s THR 60 Cb -0.17 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2awf s THR 60 CO -0.09 0.45 0.55 -0.36 -0.69 0.00 0.00 174.62 174.48 2awf s PHE 61 N 1.29 3.69 0.40 4.92 0.40 0.11 -1.13 117.98 127.66 2awf s PHE 61 Ca 0.03 1.15 -0.25 0.00 -0.60 0.00 0.00 56.93 57.26 2awf s PHE 61 Cb -0.14 -2.54 -0.09 0.00 0.51 0.00 0.00 43.02 40.76 2awf s PHE 61 CO -0.11 0.41 1.16 -1.25 0.70 0.00 0.00 175.22 176.13 2awf s PRO 62 N -0.37 4.08 0.52 0.24 0.04 -1.26 -4.86 135.00 133.39 2awf s PRO 62 Ca 0.29 1.82 0.25 0.00 0.04 0.00 0.00 61.00 63.40 2awf s PRO 62 Cb -0.18 -2.68 1.34 0.00 0.04 0.00 0.00 34.50 33.02 2awf s PRO 62 CO 0.16 -0.29 1.72 0.87 0.04 0.00 0.00 177.00 179.50 2awf h LYS 63 N 2.66 0.00 -0.59 4.56 1.79 -1.97 0.94 116.57 123.96 2awf h LYS 63 Ca -0.49 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.97 2awf h LYS 63 Cb 1.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2awf h LYS 63 CO 0.63 0.00 0.02 -0.40 -1.08 0.00 0.00 179.45 178.62 2awf n ASP 64 N -2.56 5.72 -4.74 0.86 5.75 -1.26 -4.68 116.55 115.63 2awf n ASP 64 Ca -0.02 -2.96 -0.39 0.00 -0.01 0.00 0.00 54.79 51.41 2awf n ASP 64 Cb 0.30 -0.70 0.03 0.00 -1.03 0.00 0.00 41.12 39.72 2awf n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2awf n TYR 65 N 0.57 2.41 0.36 2.11 9.36 0.32 -1.74 117.16 130.56 2awf n TYR 65 Ca 0.29 0.44 0.05 0.00 3.32 0.00 0.00 57.90 62.00 2awf n TYR 65 Cb 1.23 -2.40 0.19 0.00 -0.63 0.00 0.00 39.34 37.73 2awf n TYR 65 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2awf n PRO 66 N -0.58 2.51 0.10 2.98 -0.04 -1.26 -4.12 135.00 134.58 2awf n PRO 66 Ca 0.08 -1.53 -0.06 0.00 -0.04 0.00 0.00 63.50 61.96 2awf n PRO 66 Cb 0.43 -1.62 0.04 0.00 -0.04 0.00 0.00 33.50 32.31 2awf n PRO 66 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2awf h LEU 67 N 2.16 0.14 -9.21 1.53 3.38 -1.70 -3.34 115.31 108.27 2awf h LEU 67 Ca 0.00 -0.11 -0.67 0.00 0.09 0.00 0.00 57.88 57.19 2awf h LEU 67 Cb 0.93 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 2awf h LEU 67 CO 0.14 0.87 -0.73 -0.13 0.09 0.00 0.00 178.44 178.68 2awf s ARG 68 N -3.32 2.28 0.64 1.13 0.52 -1.23 -4.85 118.95 114.12 2awf s ARG 68 Ca -0.02 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 2awf s ARG 68 Cb 0.11 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 2awf s ARG 68 CO 0.80 0.54 1.05 -1.25 0.02 0.00 0.00 175.30 176.47 2awf s PRO 69 N -1.85 3.21 0.86 3.54 0.04 -1.26 -4.40 135.00 135.13 2awf s PRO 69 Ca 0.19 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2awf s PRO 69 Cb -0.11 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.51 2awf s PRO 69 CO 0.11 -0.89 1.09 -1.25 0.04 0.00 0.00 177.00 176.11 2awf s PRO 70 N -4.69 1.59 -0.01 0.56 0.04 -1.26 -4.40 135.00 126.83 2awf s PRO 70 Ca 0.59 0.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 2awf s PRO 70 Cb -0.14 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2awf s PRO 70 CO 0.47 -2.00 0.07 0.15 0.04 0.00 0.00 177.00 175.73 2awf s LYS 71 N -5.00 3.04 -0.03 4.56 1.02 -0.29 -4.92 119.74 118.13 2awf s LYS 71 Ca 0.62 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 56.20 2awf s LYS 71 Cb -0.17 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 2awf s LYS 71 CO 0.56 0.65 -0.23 1.41 -0.92 0.00 0.00 175.35 176.82 2awf s MET 72 N -1.66 2.08 -0.04 1.68 -2.45 -1.26 -0.99 119.30 116.66 2awf s MET 72 Ca 0.22 -0.83 -0.01 0.00 -1.25 0.00 0.00 55.69 53.81 2awf s MET 72 Cb -0.12 -1.90 0.03 0.00 1.25 0.00 0.00 34.83 34.09 2awf s MET 72 CO 0.13 0.44 0.05 0.21 1.05 0.00 0.00 175.02 176.90 2awf s LYS 73 N -0.38 -0.00 0.17 4.11 2.20 -0.45 -0.99 119.74 124.40 2awf s LYS 73 Ca 0.04 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2awf s LYS 73 Cb -0.11 -0.50 -0.08 0.00 -1.51 0.00 0.00 37.83 35.63 2awf s LYS 73 CO 0.01 -0.29 1.30 -0.06 -0.36 0.00 0.00 175.35 175.94 2awf s PHE 74 N 1.92 3.30 -0.21 4.03 0.40 0.15 -0.04 117.98 127.52 2awf s PHE 74 Ca 0.02 1.22 -0.16 0.00 -0.60 0.00 0.00 56.93 57.40 2awf s PHE 74 Cb -0.12 -3.57 -0.11 0.00 0.51 0.00 0.00 43.02 39.72 2awf s PHE 74 CO -0.03 -1.81 -0.16 -0.89 0.70 0.00 0.00 175.22 173.03 2awf n ILE 75 N 2.94 1.50 -1.65 0.64 2.08 0.35 -4.50 119.36 120.72 2awf n ILE 75 Ca 0.07 -0.07 -0.46 0.00 0.56 0.00 0.00 62.75 62.85 2awf n ILE 75 Cb 0.43 -2.12 -0.04 0.00 -0.75 0.00 0.00 39.64 37.17 2awf n ILE 75 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2awf n THR 76 N -4.41 0.54 -1.70 1.39 -1.04 -1.04 -4.93 114.28 103.08 2awf n THR 76 Ca -0.31 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.13 2awf n THR 76 Cb 0.64 -1.37 -0.01 0.00 -1.82 0.00 0.00 70.33 67.77 2awf n THR 76 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2awf n GLU 77 N 2.51 2.20 -3.61 -2.82 2.13 -1.26 -4.82 120.64 114.96 2awf n GLU 77 Ca 0.14 0.78 -0.16 0.00 0.66 0.00 0.00 57.16 58.58 2awf n GLU 77 Cb 0.29 -2.41 -0.07 0.00 0.27 0.00 0.00 31.44 29.51 2awf n GLU 77 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2awf s ILE 78 N -0.65 0.02 -0.17 6.31 2.07 -1.26 -5.06 121.20 122.46 2awf s ILE 78 Ca 0.60 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.65 2awf s ILE 78 Cb -0.58 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.15 2awf s ILE 78 CO 0.57 -0.09 -0.09 0.86 -1.91 0.00 0.00 174.94 174.28 2awf s TRP 79 N -1.17 2.90 -0.18 3.50 -0.00 -1.26 -5.05 118.94 117.67 2awf s TRP 79 Ca -0.11 -0.79 -0.27 0.00 -0.00 0.00 0.00 56.10 54.93 2awf s TRP 79 Cb -0.02 -1.97 0.07 0.00 -0.00 0.00 0.00 33.47 31.55 2awf s TRP 79 CO 0.08 -0.37 0.70 -1.58 -0.00 0.00 0.00 176.95 175.78 2awf s HIS 80 N 0.89 -0.74 0.51 5.86 2.46 -1.26 -5.05 115.29 117.96 2awf s HIS 80 Ca -0.02 1.61 0.18 0.00 0.47 0.00 0.00 55.06 57.30 2awf s HIS 80 Cb -0.15 0.32 1.26 0.00 -0.13 0.00 0.00 32.58 33.89 2awf s HIS 80 CO 0.00 -0.47 2.09 -1.35 -2.47 0.00 0.00 174.74 172.55 2awf h PRO 81 N 4.22 0.06 -0.27 2.88 0.11 -1.96 -2.42 132.00 134.61 2awf h PRO 81 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2awf h PRO 81 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2awf h PRO 81 CO 0.18 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.10 2awf n ASN 82 N -4.49 1.97 -4.08 -2.05 3.02 -1.26 -4.78 115.26 103.59 2awf n ASN 82 Ca 0.01 -1.85 -0.32 0.00 -0.03 0.00 0.00 54.58 52.40 2awf n ASN 82 Cb 0.24 -0.18 -0.16 0.00 -0.61 0.00 0.00 39.78 39.07 2awf n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2awf s VAL 83 N -1.64 2.01 0.98 2.41 1.01 -0.91 -0.39 120.40 123.86 2awf s VAL 83 Ca 0.30 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2awf s VAL 83 Cb 0.16 -1.95 0.23 0.00 0.00 0.00 0.00 36.38 34.82 2awf s VAL 83 CO 0.23 0.29 1.19 -0.90 0.00 0.00 0.00 175.10 175.91 2awf n ASP 84 N 4.58 -0.49 0.25 3.32 5.68 -0.43 -4.56 116.55 124.90 2awf n ASP 84 Ca -0.18 -1.36 0.16 0.00 -0.50 0.00 0.00 54.79 52.91 2awf n ASP 84 Cb 0.47 -0.95 0.53 0.00 -1.14 0.00 0.00 41.12 40.03 2awf n ASP 84 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2awf h LYS 85 N 0.00 0.00 0.00 0.11 6.56 -1.97 0.66 116.57 121.93 2awf h LYS 85 Ca -0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 2awf h LYS 85 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2awf h LYS 85 CO 0.28 0.00 -0.09 -0.91 -2.06 0.00 0.00 179.45 176.66 2awf h ASN 86 N 0.00 0.00 0.00 0.86 -0.26 -1.97 -3.47 115.58 110.74 2awf h ASN 86 Ca 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2awf h ASN 86 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 2awf h ASN 86 CO 0.00 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 176.99 2awf n GLY 87 N 1.22 0.43 3.75 2.83 0.00 0.23 -4.83 105.19 108.82 2awf n GLY 87 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2awf n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2awf s ASP 88 N -2.01 6.66 -0.18 1.61 1.01 -1.26 -0.67 116.67 121.83 2awf s ASP 88 Ca 0.00 2.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.80 2awf s ASP 88 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2awf s ASP 88 CO 0.00 -0.68 0.32 -0.69 0.21 0.00 0.00 175.17 174.34 2awf s VAL 89 N -0.24 5.27 -0.39 -1.27 1.01 -0.16 -1.31 120.40 123.31 2awf s VAL 89 Ca 0.57 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 2awf s VAL 89 Cb -0.42 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.41 2awf s VAL 89 CO 0.46 0.34 0.16 0.00 0.00 0.00 0.00 175.10 176.05 2awf s ILE 91 N 1.09 0.02 0.21 0.00 2.07 -1.26 -4.76 121.20 118.56 2awf s ILE 91 Ca 0.08 -0.14 0.07 0.00 -1.41 0.00 0.00 60.65 59.25 2awf s ILE 91 Cb -0.22 -0.31 -0.10 0.00 0.13 0.00 0.00 42.46 41.96 2awf s ILE 91 CO -0.05 -0.08 1.47 0.77 -1.91 0.00 0.00 174.94 175.15 2awf h SER 92 N 5.51 0.10 -0.22 4.50 4.64 -1.88 -2.76 113.55 123.44 2awf h SER 92 Ca -0.26 -0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.04 2awf h SER 92 Cb 1.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2awf h SER 92 CO 0.39 0.83 0.44 -0.29 -0.87 0.00 0.00 176.83 177.33 2awf h ILE 93 N 0.05 0.16 -0.51 0.95 2.10 -1.77 0.06 117.51 118.56 2awf h ILE 93 Ca -0.02 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.92 2awf h ILE 93 Cb 1.35 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 2awf h ILE 93 CO 0.11 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.36 2awf n LEU 94 N -3.24 3.36 -4.70 2.19 4.77 -1.04 -2.75 117.00 115.59 2awf n LEU 94 Ca 0.03 -1.95 -0.35 0.00 -0.03 0.00 0.00 56.01 53.70 2awf n LEU 94 Cb 0.55 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2awf n LEU 94 CO 0.19 0.83 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.90 2awf s HIS 95 N -1.02 3.37 0.30 -1.77 3.76 0.01 -4.83 115.29 115.11 2awf s HIS 95 Ca 0.34 0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 55.23 2awf s HIS 95 Cb 0.18 -2.17 -0.10 0.00 1.11 0.00 0.00 32.58 31.59 2awf s HIS 95 CO 0.24 0.22 1.41 -1.21 -0.85 0.00 0.00 174.74 174.54 2awf s GLU 96 N 0.52 4.27 0.00 1.40 2.02 -1.26 -1.19 118.70 124.46 2awf s GLU 96 Ca 0.07 2.33 0.00 0.00 0.02 0.00 0.00 54.97 57.39 2awf s GLU 96 Cb -0.12 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2awf s GLU 96 CO -0.00 -0.36 0.00 -0.35 0.02 0.00 0.00 175.26 174.56 2awf n PRO 97 N 1.45 2.40 0.05 0.39 -0.04 -1.26 -4.92 135.00 133.07 2awf n PRO 97 Ca 0.03 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.27 2awf n PRO 97 Cb 0.40 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.72 2awf n PRO 97 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2awf h PRO 107 N 0.00 0.35 -0.15 0.54 0.14 -2.03 -3.53 132.00 127.33 2awf h PRO 107 Ca 0.00 -0.61 0.00 0.00 0.14 0.00 0.00 66.00 65.53 2awf h PRO 107 Cb 0.00 0.23 0.00 0.00 0.14 0.00 0.00 31.00 31.37 2awf h PRO 107 CO 0.00 1.29 0.00 0.39 0.14 0.00 0.00 178.00 179.82 2awf n GLU 108 N -3.56 1.10 -0.28 0.86 1.02 -1.26 -2.69 120.64 115.83 2awf n GLU 108 Ca -0.27 -0.13 0.12 0.00 -0.02 0.00 0.00 57.16 56.85 2awf n GLU 108 Cb 1.07 -1.09 0.27 0.00 -0.02 0.00 0.00 31.44 31.67 2awf n GLU 108 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2awf n GLU 109 N -0.34 2.62 -3.64 3.49 4.71 -1.26 -3.60 120.64 122.61 2awf n GLU 109 Ca 0.01 -2.48 -0.13 0.00 -0.01 0.00 0.00 57.16 54.56 2awf n GLU 109 Cb 0.06 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 28.90 2awf n GLU 109 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2awf s ARG 110 N -1.21 0.96 0.14 3.49 1.70 -1.09 -4.45 118.95 118.49 2awf s ARG 110 Ca 0.43 -0.33 -0.31 0.00 -0.47 0.00 0.00 55.73 55.05 2awf s ARG 110 Cb 0.24 0.43 -0.10 0.00 -0.57 0.00 0.00 34.95 34.95 2awf s ARG 110 CO 0.32 -0.33 1.59 -0.46 -1.08 0.00 0.00 175.30 175.33 2awf s TRP 111 N -2.48 2.93 0.01 5.89 -0.11 -0.33 -4.70 118.94 120.15 2awf s TRP 111 Ca -0.05 0.56 0.06 0.00 1.22 0.00 0.00 56.10 57.89 2awf s TRP 111 Cb -0.01 -3.93 -0.02 0.00 -1.50 0.00 0.00 33.47 28.01 2awf s TRP 111 CO -0.02 -3.51 -0.19 -0.51 -4.62 0.00 0.00 176.95 168.10 2awf s LEU 112 N 1.46 2.09 0.63 5.86 1.43 -1.26 -4.59 118.68 124.29 2awf s LEU 112 Ca 0.71 -0.40 0.25 0.00 -1.03 0.00 0.00 54.13 53.66 2awf s LEU 112 Cb -0.43 -0.93 1.25 0.00 0.03 0.00 0.00 46.19 46.11 2awf s LEU 112 CO 0.31 0.19 1.70 -0.65 0.23 0.00 0.00 176.35 178.14 2awf h PRO 113 N 5.37 0.00 0.00 1.29 0.11 -1.89 -1.06 132.00 135.82 2awf h PRO 113 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2awf h PRO 113 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2awf h PRO 113 CO 0.46 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.69 2awf n ILE 114 N -3.18 0.50 -2.33 4.15 -5.35 -1.26 -4.88 119.36 107.01 2awf n ILE 114 Ca 0.05 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.12 2awf n ILE 114 Cb 0.73 -0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2awf n ILE 114 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2awf s HIS 115 N -3.08 3.37 0.52 4.28 3.76 -0.40 -5.03 115.29 118.71 2awf s HIS 115 Ca 0.10 1.36 0.07 0.00 -0.15 0.00 0.00 55.06 56.45 2awf s HIS 115 Cb 0.14 -3.48 0.04 0.00 1.11 0.00 0.00 32.58 30.38 2awf s HIS 115 CO 0.48 -1.41 0.54 0.95 -0.85 0.00 0.00 174.74 174.44 2awf s THR 116 N -0.02 2.10 0.42 1.30 -4.23 -1.26 -4.97 115.64 108.98 2awf s THR 116 Ca 0.54 -1.27 0.08 0.00 -1.18 0.00 0.00 61.69 59.85 2awf s THR 116 Cb -0.34 -2.37 0.26 0.00 1.34 0.00 0.00 72.50 71.40 2awf s THR 116 CO 0.37 0.00 2.06 0.58 -0.54 0.00 0.00 174.62 177.09 2awf h VAL 117 N 0.61 1.10 -0.44 2.29 2.07 -1.96 -1.94 116.25 117.98 2awf h VAL 117 Ca -0.36 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2awf h VAL 117 Cb 1.29 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2awf h VAL 117 CO 0.51 0.10 0.28 -0.08 0.02 0.00 0.00 177.57 178.40 2awf h GLU 118 N 0.51 0.59 -0.45 1.57 4.81 -1.98 0.37 114.58 120.01 2awf h GLU 118 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2awf h GLU 118 Cb -0.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2awf h GLU 118 CO -0.03 0.42 0.29 1.15 -0.73 0.00 0.00 179.01 180.11 2awf h THR 119 N 0.59 1.12 -0.05 0.32 2.02 -1.75 0.10 112.91 115.27 2awf h THR 119 Ca 0.16 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2awf h THR 119 Cb -0.03 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2awf h THR 119 CO -0.03 0.12 0.03 0.40 0.37 0.00 0.00 175.52 176.41 2awf h ILE 120 N 0.61 1.06 -0.47 3.11 2.04 -1.13 -2.48 117.51 120.24 2awf h ILE 120 Ca 0.16 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 2awf h ILE 120 Cb -0.05 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2awf h ILE 120 CO -0.03 0.05 0.01 0.24 0.00 0.00 0.00 178.15 178.41 2awf h MET 121 N 0.02 0.78 -0.51 2.37 2.86 -0.64 0.15 114.93 119.96 2awf h MET 121 Ca 0.02 -0.20 0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2awf h MET 121 Cb 0.05 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.54 2awf h MET 121 CO -0.00 0.78 0.07 0.82 1.06 0.00 0.00 176.91 179.64 2awf h ILE 122 N 0.73 0.68 -0.57 -1.22 2.04 -0.84 0.32 117.51 118.65 2awf h ILE 122 Ca 0.14 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 2awf h ILE 122 Cb 0.44 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2awf h ILE 122 CO 0.02 0.04 -0.04 0.28 0.00 0.00 0.00 178.15 178.45 2awf h SER 123 N 0.20 1.02 -0.52 1.72 0.02 -0.80 -2.06 113.55 113.14 2awf h SER 123 Ca 0.26 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2awf h SER 123 Cb 0.37 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2awf h SER 123 CO -0.36 1.10 0.02 0.58 -1.14 0.00 0.00 176.83 177.02 2awf h VAL 124 N 0.92 1.26 -0.60 2.27 2.07 -0.35 -1.96 116.25 119.85 2awf h VAL 124 Ca 0.16 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 2awf h VAL 124 Cb 0.60 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2awf h VAL 124 CO 0.04 0.38 0.17 0.40 0.02 0.00 0.00 177.57 178.57 2awf h ILE 125 N 0.78 1.25 -0.79 4.57 1.08 -0.29 -2.72 117.51 121.39 2awf h ILE 125 Ca 0.15 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 2awf h ILE 125 Cb 0.50 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 2awf h ILE 125 CO 0.02 0.33 0.49 0.28 -0.69 0.00 0.00 178.15 178.58 2awf h SER 126 N 0.86 0.93 0.61 1.72 0.02 -1.26 -1.37 113.55 115.07 2awf h SER 126 Ca 0.19 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2awf h SER 126 Cb 0.32 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2awf h SER 126 CO -0.00 0.70 -0.08 0.00 -1.14 0.00 0.00 176.83 176.31 2awf h MET 127 N 1.07 0.00 0.11 3.45 -0.00 -1.06 -2.53 114.93 115.97 2awf h MET 127 Ca 0.28 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.68 2awf h MET 127 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.52 2awf h MET 127 CO -0.06 0.08 -1.51 -0.07 -0.00 0.00 0.00 176.91 175.35 2awf h LEU 128 N 0.00 0.36 0.00 -0.10 3.38 -1.20 -3.19 115.31 114.56 2awf h LEU 128 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2awf h LEU 128 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2awf h LEU 128 CO 0.01 1.41 0.00 0.00 0.09 0.00 0.00 178.44 179.95 2awf n ALA 129 N -2.65 1.86 -3.05 1.53 0.00 -0.56 -4.04 120.51 113.61 2awf n ALA 129 Ca -0.16 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2awf n ALA 129 Cb 1.04 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 2awf n ALA 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2awf s ASP 130 N -2.65 -0.33 0.00 0.00 2.15 -0.98 -5.01 116.67 109.85 2awf s ASP 130 Ca 0.14 -2.02 0.09 0.00 0.43 0.00 0.00 52.55 51.19 2awf s ASP 130 Cb 0.11 1.08 0.54 0.00 -0.30 0.00 0.00 42.92 44.34 2awf s ASP 130 CO 0.25 -0.12 0.98 -0.81 -0.17 0.00 0.00 175.17 175.31