#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dog s ARG 2 N 0.00 2.55 0.24 0.03 6.06 -1.26 -4.90 118.95 121.66 2dog s ARG 2 Ca 0.00 -1.04 0.11 0.00 -2.50 0.00 0.00 55.73 52.30 2dog s ARG 2 Cb 0.00 -5.22 -0.05 0.00 0.06 0.00 0.00 34.95 29.74 2dog s ARG 2 CO 0.00 -3.83 -0.14 -0.51 -2.50 0.00 0.00 175.30 168.32 2dog s LEU 3 N 10.66 2.79 -0.17 -0.88 1.43 -1.26 -3.76 118.68 127.49 2dog s LEU 3 Ca 0.68 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 2dog s LEU 3 Cb -0.02 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.87 2dog s LEU 3 CO 0.11 0.06 0.43 0.68 0.23 0.00 0.00 176.35 177.86 2dog s VAL 4 N -2.15 -0.01 0.37 -1.59 -7.23 -0.87 -4.95 120.40 103.98 2dog s VAL 4 Ca 0.28 0.03 -0.26 0.00 -1.81 0.00 0.00 61.98 60.21 2dog s VAL 4 Cb -0.07 -0.62 -0.09 0.00 0.56 0.00 0.00 36.38 36.17 2dog s VAL 4 CO 0.15 0.01 1.20 -0.70 -0.31 0.00 0.00 175.10 175.45 2dog s GLU 5 N 0.61 4.18 0.00 4.82 -6.30 -1.26 -0.40 118.70 120.34 2dog s GLU 5 Ca -0.03 1.93 0.00 0.00 -2.50 0.00 0.00 54.97 54.37 2dog s GLU 5 Cb -0.05 -2.82 0.00 0.00 0.00 0.00 0.00 34.13 31.26 2dog s GLU 5 CO -0.04 -0.24 0.00 0.44 0.02 0.00 0.00 175.26 175.44 2dog n ILE 6 N 0.36 0.00 -3.81 -3.70 -5.35 -1.08 -4.88 119.36 100.90 2dog n ILE 6 Ca 0.03 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.42 2dog n ILE 6 Cb 0.45 -0.96 0.03 0.00 -1.74 0.00 0.00 39.64 37.42 2dog n ILE 6 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2dog s GLY 7 N -2.92 0.38 0.03 3.28 0.00 -1.26 -1.81 107.32 105.01 2dog s GLY 7 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2dog s GLY 7 CO 0.00 -0.26 -0.06 -1.60 0.00 0.00 0.00 173.10 171.18 2dog s ARG 8 N -2.26 0.46 -0.03 2.90 3.52 -0.72 -1.70 118.95 121.12 2dog s ARG 8 Ca 0.16 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 2dog s ARG 8 Cb -0.05 -0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.06 2dog s ARG 8 CO 0.11 0.05 1.01 -0.06 -0.81 0.00 0.00 175.30 175.60 2dog s PHE 9 N -1.08 3.58 0.00 5.12 0.08 -1.18 -1.48 117.98 123.02 2dog s PHE 9 Ca -0.08 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2dog s PHE 9 Cb -0.08 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 2dog s PHE 9 CO 0.00 -0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 2dog n GLY 10 N 3.00 0.04 3.51 4.36 0.00 0.60 -3.26 105.19 113.44 2dog n GLY 10 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2dog n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dog s ALA 11 N -4.04 2.74 -0.22 4.61 0.00 -1.26 -4.55 121.76 119.03 2dog s ALA 11 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2dog s ALA 11 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2dog s ALA 11 CO 0.00 0.60 1.61 -1.25 0.00 0.00 0.00 175.76 176.72 2dog s PRO 12 N -1.84 3.79 1.08 0.00 0.04 -1.26 -1.68 135.00 135.12 2dog s PRO 12 Ca 0.17 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 2dog s PRO 12 Cb -0.11 -4.04 0.20 0.00 0.04 0.00 0.00 34.50 30.60 2dog s PRO 12 CO 0.09 -1.30 0.42 0.98 0.04 0.00 0.00 177.00 177.23 2dog n TYR 13 N 8.46 -2.56 -0.98 0.56 9.36 0.45 -4.86 117.16 127.59 2dog n TYR 13 Ca 0.19 -0.13 -0.37 0.00 3.32 0.00 0.00 57.90 60.91 2dog n TYR 13 Cb 0.45 -1.38 0.04 0.00 -0.63 0.00 0.00 39.34 37.82 2dog n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dog n ALA 14 N -4.62 -5.44 0.18 2.98 0.00 -1.26 -4.48 120.51 107.87 2dog n ALA 14 Ca 0.07 -0.89 0.14 0.00 0.00 0.00 0.00 53.44 52.76 2dog n ALA 14 Cb 0.39 -1.08 0.49 0.00 0.00 0.00 0.00 19.45 19.24 2dog n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dog h LEU 15 N -1.05 0.00 -1.96 0.00 3.38 -1.94 -1.00 115.31 112.74 2dog h LEU 15 Ca -0.43 0.00 0.52 0.00 0.09 0.00 0.00 57.88 58.06 2dog h LEU 15 Cb 1.33 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.00 2dog h LEU 15 CO 0.23 0.00 1.28 0.11 0.09 0.00 0.00 178.44 180.15 2dog h LYS 16 N 0.00 0.01 0.00 1.13 1.79 -1.82 -3.33 116.57 114.35 2dog h LYS 16 Ca 0.14 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2dog h LYS 16 Cb 1.59 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 2dog h LYS 16 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2dog n GLY 17 N -1.87 1.23 3.83 3.86 0.00 -0.38 -4.48 105.19 107.38 2dog n GLY 17 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 2dog n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dog s GLY 18 N -2.00 2.25 -0.13 -0.02 0.00 -1.24 -4.49 107.32 101.69 2dog s GLY 18 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2dog s GLY 18 CO 0.00 0.58 -0.21 1.08 0.00 0.00 0.00 173.10 174.55 2dog s LEU 19 N -3.58 2.03 -0.53 0.66 1.43 -0.63 0.17 118.68 118.23 2dog s LEU 19 Ca 0.61 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2dog s LEU 19 Cb -0.09 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2dog s LEU 19 CO 0.21 0.07 1.83 -0.13 0.23 0.00 0.00 176.35 178.56 2dog s ARG 20 N 0.80 2.85 -0.20 1.70 0.52 -0.68 0.18 118.95 124.13 2dog s ARG 20 Ca -0.08 0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 55.90 2dog s ARG 20 Cb -0.16 -4.32 -0.04 0.00 0.52 0.00 0.00 34.95 30.95 2dog s ARG 20 CO -0.01 -2.45 0.08 0.12 0.02 0.00 0.00 175.30 173.05 2dog s PHE 21 N 8.37 3.25 -0.47 -0.53 5.36 0.13 -0.29 117.98 133.80 2dog s PHE 21 Ca 0.70 0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2dog s PHE 21 Cb -0.15 -2.12 0.12 0.00 -0.34 0.00 0.00 43.02 40.54 2dog s PHE 21 CO 0.25 0.10 0.26 0.50 -1.46 0.00 0.00 175.22 174.86 2dog s ARG 22 N 0.56 2.09 0.10 10.12 6.06 -0.55 -3.48 118.95 133.85 2dog s ARG 22 Ca 0.04 -2.09 -0.03 0.00 -2.50 0.00 0.00 55.73 51.15 2dog s ARG 22 Cb -0.13 -3.56 -0.03 0.00 0.06 0.00 0.00 34.95 31.30 2dog s ARG 22 CO 0.01 -1.09 0.08 0.20 -2.50 0.00 0.00 175.30 172.00 2dog s GLY 23 N 1.23 0.57 0.72 8.12 0.00 -1.26 -1.76 107.32 114.94 2dog s GLY 23 Ca 0.12 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.55 2dog s GLY 23 CO -0.04 -1.17 -0.50 -1.84 0.00 0.00 0.00 173.10 169.55 2dog n GLU 24 N -0.03 0.00 0.17 2.90 0.28 -0.75 -4.79 120.64 118.42 2dog n GLU 24 Ca -0.11 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.03 2dog n GLU 24 Cb 0.62 -0.87 0.56 0.00 1.43 0.00 0.00 31.44 33.18 2dog n GLU 24 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2dog h PRO 25 N -0.58 0.00 0.00 3.44 0.13 -2.01 -2.78 132.00 130.21 2dog h PRO 25 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2dog h PRO 25 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dog h PRO 25 CO 0.26 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.58 2dog n VAL 26 N -2.48 1.03 0.29 1.56 3.14 -1.26 -2.15 118.33 118.44 2dog n VAL 26 Ca 0.02 0.37 0.13 0.00 -2.96 0.00 0.00 64.34 61.90 2dog n VAL 26 Cb 0.25 -1.29 0.62 0.00 -1.06 0.00 0.00 33.84 32.35 2dog n VAL 26 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 2dog h VAL 27 N 0.00 0.00 0.00 1.55 3.04 -1.80 -1.91 116.25 117.13 2dog h VAL 27 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2dog h VAL 27 Cb 0.22 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2dog h VAL 27 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 2dog n LEU 28 N -2.41 0.00 -0.16 3.16 4.77 -0.91 -1.85 117.00 119.60 2dog n LEU 28 Ca 0.00 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2dog n LEU 28 Cb 0.14 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2dog n LEU 28 CO 0.16 -0.01 0.32 1.41 -1.33 0.00 0.00 177.39 177.95 2dog n HIS 29 N -1.02 0.01 -2.19 -1.77 8.25 -0.72 -5.04 115.22 112.74 2dog n HIS 29 Ca 0.14 -0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 2dog n HIS 29 Cb 0.07 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.24 2dog n HIS 29 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dog s LEU 30 N -0.36 2.84 0.00 2.41 1.43 -0.77 -4.95 118.68 119.28 2dog s LEU 30 Ca 0.05 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2dog s LEU 30 Cb 0.03 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2dog s LEU 30 CO 0.05 -1.55 0.00 1.21 0.23 0.00 0.00 176.35 176.29 2dog n GLU 31 N -2.92 0.00 -4.27 1.70 4.07 -1.26 -5.04 120.64 112.92 2dog n GLU 31 Ca 0.08 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.03 2dog n GLU 31 Cb 0.60 -0.80 -0.10 0.00 -0.06 0.00 0.00 31.44 31.08 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2dog s ARG 32 N -1.94 1.17 0.42 5.31 1.70 -1.26 -1.61 118.95 122.73 2dog s ARG 32 Ca 0.00 -1.56 0.03 0.00 -0.47 0.00 0.00 55.73 53.73 2dog s ARG 32 Cb 0.00 -0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 33.95 2dog s ARG 32 CO 0.00 -0.10 0.11 0.14 -1.08 0.00 0.00 175.30 174.37 2dog s VAL 33 N -3.55 0.70 -0.12 4.99 -7.23 0.14 -4.84 120.40 110.50 2dog s VAL 33 Ca 0.24 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2dog s VAL 33 Cb 0.06 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2dog s VAL 33 CO 0.05 0.00 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.31 2dog s TYR 34 N -3.17 1.41 -0.83 2.82 5.04 -0.66 -0.67 117.35 121.30 2dog s TYR 34 Ca 0.22 -0.73 -0.24 0.00 -2.44 0.00 0.00 57.07 53.89 2dog s TYR 34 Cb 0.03 -1.19 0.06 0.00 0.35 0.00 0.00 41.96 41.21 2dog s TYR 34 CO 0.13 -0.51 1.23 0.08 -1.34 0.00 0.00 175.55 175.14 2dog s VAL 35 N 1.73 4.08 -0.52 3.14 1.01 -0.55 -1.71 120.40 127.58 2dog s VAL 35 Ca 0.04 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2dog s VAL 35 Cb -0.13 -4.88 -0.08 0.00 0.00 0.00 0.00 36.38 31.29 2dog s VAL 35 CO -0.08 -1.73 2.43 1.21 0.00 0.00 0.00 175.10 176.93 2dog n GLU 36 N 8.41 0.98 0.00 2.72 2.13 -1.01 -2.23 120.64 131.63 2dog n GLU 36 Ca 0.13 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2dog n GLU 36 Cb 0.49 -3.37 0.00 0.00 0.27 0.00 0.00 31.44 28.83 2dog n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dog n GLY 37 N 6.05 3.76 0.04 8.31 0.00 -1.26 -4.45 105.19 117.64 2dog n GLY 37 Ca 0.39 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2dog n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dog n HIS 38 N 0.00 0.00 -3.77 1.61 8.25 -0.95 -5.15 115.22 115.21 2dog n HIS 38 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2dog n HIS 38 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 2dog n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dog n GLY 39 N 2.86 0.96 3.77 -1.41 0.00 -1.18 -5.04 105.19 105.15 2dog n GLY 39 Ca 0.00 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 2dog n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dog s TRP 40 N -2.47 3.50 0.20 1.61 0.52 -1.26 -1.47 118.94 119.56 2dog s TRP 40 Ca 0.16 1.71 0.06 0.00 0.02 0.00 0.00 56.10 58.05 2dog s TRP 40 Cb -0.04 -3.14 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2dog s TRP 40 CO 0.10 -0.38 -0.10 1.03 0.02 0.00 0.00 176.95 177.61 2dog s ARG 41 N -1.96 1.28 0.12 4.98 1.81 0.16 -4.83 118.95 120.50 2dog s ARG 41 Ca 0.51 -1.58 0.08 0.00 -1.72 0.00 0.00 55.73 53.02 2dog s ARG 41 Cb -0.25 -0.92 -0.04 0.00 -0.45 0.00 0.00 34.95 33.29 2dog s ARG 41 CO 0.32 0.10 -0.14 0.00 -0.68 0.00 0.00 175.30 174.90 2dog s ALA 42 N -3.13 2.81 -0.16 2.13 0.00 -1.26 0.29 121.76 122.43 2dog s ALA 42 Ca 0.22 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 2dog s ALA 42 Cb 0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2dog s ALA 42 CO 0.06 0.60 0.47 0.42 0.00 0.00 0.00 175.76 177.31 2dog s ILE 43 N -1.22 5.17 -0.20 0.00 1.01 -0.63 -1.30 121.20 124.02 2dog s ILE 43 Ca 0.20 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.76 2dog s ILE 43 Cb -0.11 -3.80 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 2dog s ILE 43 CO 0.12 0.27 -0.17 -0.62 0.00 0.00 0.00 174.94 174.54 2dog n GLU 44 N 4.15 0.56 -3.64 2.79 -0.58 -0.94 -4.83 120.64 118.15 2dog n GLU 44 Ca -0.07 0.11 -0.08 0.00 -0.42 0.00 0.00 57.16 56.71 2dog n GLU 44 Cb 0.51 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.90 2dog n GLU 44 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dog s ASP 45 N -5.94 -0.85 0.08 1.62 1.01 -1.25 -5.04 116.67 106.30 2dog s ASP 45 Ca -0.27 1.41 -0.13 0.00 0.71 0.00 0.00 52.55 54.27 2dog s ASP 45 Cb 0.07 1.37 0.02 0.00 1.01 0.00 0.00 42.92 45.38 2dog s ASP 45 CO 0.49 -0.23 0.30 -1.48 0.21 0.00 0.00 175.17 174.46 2dog s LEU 46 N 1.33 0.91 -0.20 1.23 0.05 -1.26 -1.09 118.68 119.65 2dog s LEU 46 Ca -0.08 -0.37 -0.28 0.00 0.05 0.00 0.00 54.13 53.45 2dog s LEU 46 Cb -0.05 1.40 0.11 0.00 -2.05 0.00 0.00 46.19 45.60 2dog s LEU 46 CO -0.15 -0.72 0.90 -0.72 -0.55 0.00 0.00 176.35 175.11 2dog s TYR 47 N -3.35 -0.53 -0.64 3.48 -0.85 -1.15 -5.01 117.35 109.31 2dog s TYR 47 Ca 0.01 1.11 -0.26 0.00 -0.52 0.00 0.00 57.07 57.40 2dog s TYR 47 Cb 0.02 0.38 0.04 0.00 0.38 0.00 0.00 41.96 42.78 2dog s TYR 47 CO -0.08 -0.36 1.13 -0.98 -1.52 0.00 0.00 175.55 173.74 2dog s ARG 48 N -0.45 3.31 -0.55 -3.49 1.70 -1.26 -2.10 118.95 116.10 2dog s ARG 48 Ca -0.02 -0.19 -0.26 0.00 -0.47 0.00 0.00 55.73 54.80 2dog s ARG 48 Cb -0.03 -4.11 0.04 0.00 -0.57 0.00 0.00 34.95 30.28 2dog s ARG 48 CO 0.01 -1.82 1.02 0.08 -1.08 0.00 0.00 175.30 173.51 2dog s VAL 49 N 4.87 4.27 0.00 4.99 1.01 0.25 -4.83 120.40 130.96 2dog s VAL 49 Ca 0.34 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2dog s VAL 49 Cb -0.10 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.68 2dog s VAL 49 CO 0.18 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.72 2dog n GLY 50 N 5.09 0.58 0.91 4.51 0.00 -1.26 -0.77 105.19 114.25 2dog n GLY 50 Ca 0.04 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.66 2dog n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dog n GLU 51 N 0.00 2.00 -4.12 1.61 1.02 -1.26 -5.01 120.64 114.88 2dog n GLU 51 Ca 0.00 -3.05 -0.15 0.00 -0.02 0.00 0.00 57.16 53.95 2dog n GLU 51 Cb 0.00 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 2dog n GLU 51 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dog s GLU 52 N -3.11 1.77 0.02 3.49 2.02 0.06 -5.16 118.70 117.79 2dog s GLU 52 Ca 0.42 -1.73 0.02 0.00 0.02 0.00 0.00 54.97 53.70 2dog s GLU 52 Cb 0.37 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 35.00 2dog s GLU 52 CO 0.02 -0.71 -0.08 -0.51 0.02 0.00 0.00 175.26 174.00 2dog s LEU 53 N -3.23 2.13 -0.22 1.80 1.43 -1.23 0.86 118.68 120.24 2dog s LEU 53 Ca 0.32 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2dog s LEU 53 Cb 0.01 -0.28 0.06 0.00 0.03 0.00 0.00 46.19 46.01 2dog s LEU 53 CO 0.19 -0.05 -0.02 -0.69 0.23 0.00 0.00 176.35 176.01 2dog s VAL 54 N -0.74 1.16 -0.15 -1.59 1.01 -0.89 0.19 120.40 119.38 2dog s VAL 54 Ca -0.03 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 2dog s VAL 54 Cb -0.06 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2dog s VAL 54 CO 0.00 -0.13 0.18 -0.69 0.00 0.00 0.00 175.10 174.46 2dog s VAL 55 N 1.57 5.40 -0.57 2.92 1.01 0.13 -2.91 120.40 127.95 2dog s VAL 55 Ca -0.04 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 2dog s VAL 55 Cb -0.18 -3.49 0.14 0.00 0.00 0.00 0.00 36.38 32.85 2dog s VAL 55 CO -0.07 0.50 0.47 -1.00 0.00 0.00 0.00 175.10 175.01 2dog s HIS 56 N -0.20 3.43 0.45 5.22 3.76 -0.25 -1.61 115.29 126.09 2dog s HIS 56 Ca 0.13 -1.80 -0.23 0.00 -0.15 0.00 0.00 55.06 53.00 2dog s HIS 56 Cb -0.12 -3.62 -0.08 0.00 1.11 0.00 0.00 32.58 29.88 2dog s HIS 56 CO 0.02 -0.99 1.16 -0.51 -0.85 0.00 0.00 174.74 173.58 2dog s LEU 57 N 1.09 4.05 -0.03 0.89 1.43 -1.26 -2.22 118.68 122.63 2dog s LEU 57 Ca 0.08 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 2dog s LEU 57 Cb -0.24 -4.20 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 2dog s LEU 57 CO -0.01 -0.86 1.58 0.00 0.23 0.00 0.00 176.35 177.28 2dog s ALA 58 N -1.52 3.63 0.00 4.21 0.00 -0.42 -3.04 121.76 124.61 2dog s ALA 58 Ca 0.62 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2dog s ALA 58 Cb -0.29 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2dog s ALA 58 CO 0.35 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2dog n GLY 59 N 3.98 3.25 3.55 0.00 0.00 -1.26 -4.78 105.19 109.93 2dog n GLY 59 Ca 0.16 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2dog n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dog s VAL 60 N -0.08 3.51 -0.15 1.61 1.01 -1.17 -4.68 120.40 120.46 2dog s VAL 60 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2dog s VAL 60 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 2dog s VAL 60 CO 0.00 -1.22 0.21 0.35 0.00 0.00 0.00 175.10 174.43 2dog n THR 61 N 7.17 0.00 -4.23 3.92 -2.24 -1.26 -4.57 114.28 113.07 2dog n THR 61 Ca 0.23 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 2dog n THR 61 Cb 0.50 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 2dog n THR 61 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dog s ASP 62 N -2.21 4.39 0.18 3.42 -4.77 -1.26 -3.31 116.67 113.10 2dog s ASP 62 Ca -0.00 -0.40 -0.19 0.00 -3.30 0.00 0.00 52.55 48.66 2dog s ASP 62 Cb 0.05 -0.83 0.13 0.00 -1.09 0.00 0.00 42.92 41.18 2dog s ASP 62 CO 0.27 0.17 1.61 -0.09 0.70 0.00 0.00 175.17 177.83 2dog h ARG 63 N 3.53 -0.13 -0.32 2.11 2.43 -1.89 -2.17 114.38 117.94 2dog h ARG 63 Ca -0.49 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2dog h ARG 63 Cb 1.17 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 2dog h ARG 63 CO 0.52 -0.09 -0.35 1.15 -1.51 0.00 0.00 179.97 179.70 2dog h THR 64 N -0.14 0.00 -0.99 0.20 2.02 -1.96 0.29 112.91 112.34 2dog h THR 64 Ca 0.22 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.67 2dog h THR 64 Cb 0.49 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.77 2dog h THR 64 CO -0.57 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 175.80 2dog h LEU 65 N -0.20 0.56 0.03 2.58 3.38 -1.86 0.44 115.31 120.23 2dog h LEU 65 Ca 0.05 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2dog h LEU 65 Cb 0.35 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dog h LEU 65 CO -0.41 -0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.11 2dog h ALA 66 N 1.77 -0.03 -0.03 1.53 0.00 -0.18 -2.63 119.26 119.68 2dog h ALA 66 Ca 0.67 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.45 2dog h ALA 66 Cb 1.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2dog h ALA 66 CO -0.53 -0.39 0.07 0.93 0.00 0.00 0.00 179.25 179.33 2dog h GLU 67 N -0.30 0.00 0.00 0.00 5.08 0.15 0.12 114.58 119.63 2dog h GLU 67 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2dog h GLU 67 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dog h GLU 67 CO 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.85 2dog h ALA 68 N 1.88 0.97 -0.25 3.43 0.00 -0.80 -3.03 119.26 121.46 2dog h ALA 68 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2dog h ALA 68 Cb 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2dog h ALA 68 CO -0.00 0.21 -0.04 1.28 0.00 0.00 0.00 179.25 180.70 2dog n LEU 69 N -3.24 3.75 -4.66 0.00 4.77 0.39 -4.98 117.00 113.03 2dog n LEU 69 Ca 0.01 -3.32 -0.37 0.00 -0.03 0.00 0.00 56.01 52.31 2dog n LEU 69 Cb 0.46 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 2dog n LEU 69 CO 0.33 0.90 -0.15 -0.69 -1.33 0.00 0.00 177.39 176.45 2dog s VAL 70 N -3.00 5.34 0.00 4.08 1.01 -1.05 -4.27 120.40 122.52 2dog s VAL 70 Ca 0.42 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2dog s VAL 70 Cb 0.36 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2dog s VAL 70 CO 0.05 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2dog n GLY 71 N 4.30 1.48 3.81 4.51 0.00 -1.20 -5.03 105.19 113.06 2dog n GLY 71 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2dog n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dog s LEU 72 N 0.00 2.21 -0.05 0.99 1.43 -1.26 -4.84 118.68 117.16 2dog s LEU 72 Ca 0.00 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 2dog s LEU 72 Cb 0.00 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2dog s LEU 72 CO 0.00 -2.32 0.04 -0.13 0.23 0.00 0.00 176.35 174.17 2dog s ARG 73 N -5.31 3.02 0.01 1.70 0.52 -1.26 -3.13 118.95 114.49 2dog s ARG 73 Ca 0.63 -0.44 -0.16 0.00 -0.52 0.00 0.00 55.73 55.24 2dog s ARG 73 Cb -0.14 -2.83 -0.06 0.00 0.52 0.00 0.00 34.95 32.44 2dog s ARG 73 CO 0.53 0.68 0.45 0.08 0.02 0.00 0.00 175.30 177.05 2dog s VAL 74 N -1.03 4.97 0.02 3.52 1.01 -0.69 -2.40 120.40 125.81 2dog s VAL 74 Ca 0.17 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.17 2dog s VAL 74 Cb -0.12 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2dog s VAL 74 CO 0.07 0.57 -0.26 -0.31 0.00 0.00 0.00 175.10 175.17 2dog s TYR 75 N -1.04 2.29 0.39 5.22 1.51 -0.69 -2.62 117.35 122.41 2dog s TYR 75 Ca 0.25 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 2dog s TYR 75 Cb -0.17 -1.41 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2dog s TYR 75 CO 0.15 0.06 0.15 0.00 -1.11 0.00 0.00 175.55 174.79 2dog s ALA 76 N -0.73 3.51 -0.20 3.71 0.00 0.46 -1.65 121.76 126.86 2dog s ALA 76 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2dog s ALA 76 Cb -0.10 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2dog s ALA 76 CO 0.01 -0.11 -0.15 -2.00 0.00 0.00 0.00 175.76 173.51 2dog s GLU 77 N -3.86 2.94 0.52 0.00 2.12 -1.26 -2.05 118.70 117.10 2dog s GLU 77 Ca 0.40 -0.88 0.25 0.00 0.36 0.00 0.00 54.97 55.09 2dog s GLU 77 Cb 0.03 -2.71 1.36 0.00 0.26 0.00 0.00 34.13 33.07 2dog s GLU 77 CO 0.22 -0.27 1.98 0.28 -0.54 0.00 0.00 175.26 176.93 2dog h VAL 78 N 6.03 0.73 -0.75 3.70 2.07 -1.93 -0.54 116.25 125.56 2dog h VAL 78 Ca -0.41 -0.02 0.22 0.00 0.82 0.00 0.00 66.70 67.31 2dog h VAL 78 Cb 1.13 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2dog h VAL 78 CO 0.61 0.01 0.74 0.00 0.02 0.00 0.00 177.57 178.95 2dog h ALA 79 N 1.71 2.56 0.02 1.67 0.00 -1.94 -0.25 119.26 123.04 2dog h ALA 79 Ca 0.28 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.77 2dog h ALA 79 Cb 1.04 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2dog h ALA 79 CO -0.02 -1.13 -2.40 -3.47 0.00 0.00 0.00 179.25 172.23 2dog n ASP 80 N -3.68 1.98 -4.51 0.00 2.03 -0.22 -4.98 116.55 107.17 2dog n ASP 80 Ca 0.16 -0.08 -0.40 0.00 0.52 0.00 0.00 54.79 54.98 2dog n ASP 80 Cb 1.00 -0.46 0.03 0.00 -0.72 0.00 0.00 41.12 40.96 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dog n LEU 81 N -3.29 1.25 -4.77 -2.67 4.77 -0.11 -4.92 117.00 107.26 2dog n LEU 81 Ca -0.44 0.85 -0.36 0.00 -0.03 0.00 0.00 56.01 56.04 2dog n LEU 81 Cb 1.00 -1.22 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2dog n LEU 81 CO 0.29 -2.56 0.80 -2.16 -1.33 0.00 0.00 177.39 172.43 2dog s PRO 82 N -2.00 3.49 0.32 3.23 0.04 -1.26 -4.96 135.00 133.85 2dog s PRO 82 Ca 0.67 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 2dog s PRO 82 Cb -0.51 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 2dog s PRO 82 CO 0.55 -0.75 1.23 -1.25 0.04 0.00 0.00 177.00 176.82 2dog s PRO 83 N -3.10 4.43 0.65 0.56 0.04 -1.26 -4.88 135.00 131.44 2dog s PRO 83 Ca 0.70 2.05 0.23 0.00 0.04 0.00 0.00 61.00 64.02 2dog s PRO 83 Cb -0.25 -3.08 1.22 0.00 0.04 0.00 0.00 34.50 32.42 2dog s PRO 83 CO 0.29 -0.06 1.68 1.37 0.04 0.00 0.00 177.00 180.32 2dog h LEU 84 N 3.47 0.00 0.00 -3.56 8.10 -2.03 -3.57 115.31 117.73 2dog h LEU 84 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.51 2dog h LEU 84 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2dog h LEU 84 CO 0.66 0.00 0.00 1.21 -4.11 0.00 0.00 178.44 176.20