#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 2.05 0.32 0.03 0.52 -1.26 -4.89 118.95 115.72 2dog s ARG 2 Ca 0.00 -0.69 0.09 0.00 -0.52 0.00 0.00 55.73 54.61 2dog s ARG 2 Cb 0.00 -5.10 -0.05 0.00 0.52 0.00 0.00 34.95 30.32 2dog s ARG 2 CO 0.00 -4.37 0.01 -0.51 0.02 0.00 0.00 175.30 170.45 2dog s LEU 3 N 12.91 3.04 -0.16 2.53 1.43 -1.26 -3.29 118.68 133.88 2dog s LEU 3 Ca 0.74 -0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2dog s LEU 3 Cb -0.04 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.77 2dog s LEU 3 CO 0.12 -0.18 0.39 0.68 0.23 0.00 0.00 176.35 177.59 2dog s VAL 4 N -2.47 -0.02 0.18 -1.59 -7.23 -0.77 -4.92 120.40 103.58 2dog s VAL 4 Ca 0.34 0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 60.28 2dog s VAL 4 Cb -0.02 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.26 2dog s VAL 4 CO 0.20 0.03 1.37 -0.70 -0.31 0.00 0.00 175.10 175.68 2dog s GLU 5 N 1.04 4.34 -0.05 4.82 2.12 -1.26 0.09 118.70 129.80 2dog s GLU 5 Ca -0.07 2.12 0.01 0.00 0.36 0.00 0.00 54.97 57.38 2dog s GLU 5 Cb -0.07 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2dog s GLU 5 CO -0.09 -0.36 -0.04 0.44 -0.54 0.00 0.00 175.26 174.68 2dog n ILE 6 N 3.08 0.29 -3.82 -3.70 -5.35 -1.13 -4.90 119.36 103.83 2dog n ILE 6 Ca 0.08 -0.12 -0.09 0.00 -0.27 0.00 0.00 62.75 62.36 2dog n ILE 6 Cb 0.42 -0.70 0.02 0.00 -1.74 0.00 0.00 39.64 37.63 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 -4.40 0.36 0.05 3.28 0.00 -1.24 -1.59 107.32 103.79 2dog s GLY 7 Ca -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2dog s GLY 7 CO 0.12 -0.31 -0.07 -1.60 0.00 0.00 0.00 173.10 171.24 2dog s ARG 8 N -2.48 0.58 0.25 2.90 3.52 -0.79 -1.42 118.95 121.51 2dog s ARG 8 Ca 0.15 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 2dog s ARG 8 Cb -0.05 -0.26 -0.09 0.00 -1.56 0.00 0.00 34.95 32.99 2dog s ARG 8 CO 0.11 0.03 1.00 -0.06 -0.81 0.00 0.00 175.30 175.58 2dog s PHE 9 N -1.83 3.83 0.00 5.12 0.08 -1.10 -1.54 117.98 122.54 2dog s PHE 9 Ca -0.06 1.83 0.00 0.00 0.12 0.00 0.00 56.93 58.82 2dog s PHE 9 Cb -0.07 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2dog s PHE 9 CO -0.01 0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.58 2dog n GLY 10 N 1.43 0.13 3.56 4.36 0.00 0.80 -3.98 105.19 111.49 2dog n GLY 10 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.26 2.90 -0.25 4.61 0.00 -1.26 -4.56 121.76 119.95 2dog s ALA 11 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 2dog s ALA 11 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2dog s ALA 11 CO 0.00 0.62 1.63 -1.25 0.00 0.00 0.00 175.76 176.76 2dog s PRO 12 N -2.25 3.71 1.22 0.00 0.04 -1.26 -1.79 135.00 134.67 2dog s PRO 12 Ca 0.21 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 2dog s PRO 12 Cb -0.11 -4.06 0.25 0.00 0.04 0.00 0.00 34.50 30.62 2dog s PRO 12 CO 0.13 -1.39 0.55 0.98 0.04 0.00 0.00 177.00 177.30 2dog n TYR 13 N 8.74 -2.38 -0.99 0.56 9.36 0.20 -4.88 117.16 127.77 2dog n TYR 13 Ca 0.19 -0.25 -0.36 0.00 3.32 0.00 0.00 57.90 60.80 2dog n TYR 13 Cb 0.46 -1.47 0.04 0.00 -0.63 0.00 0.00 39.34 37.74 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 -4.98 -5.44 -0.32 2.98 0.00 -1.26 -4.49 120.51 107.00 2dog n ALA 14 Ca 0.06 -0.82 0.36 0.00 0.00 0.00 0.00 53.44 53.03 2dog n ALA 14 Cb 0.53 -1.11 0.70 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.04 0.00 -1.53 0.00 3.38 -1.94 -1.05 115.31 113.13 2dog h LEU 15 Ca -0.43 0.00 0.45 0.00 0.09 0.00 0.00 57.88 57.99 2dog h LEU 15 Cb 1.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 2dog h LEU 15 CO 0.23 0.00 1.09 0.29 0.09 0.00 0.00 178.44 180.14 2dog n LYS 16 N -3.83 -0.00 0.00 1.13 4.76 -1.26 -3.30 118.16 115.65 2dog n LYS 16 Ca 0.27 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.61 2dog n LYS 16 Cb 1.40 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 2dog n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dog n GLY 17 N -1.70 1.21 3.85 0.72 0.00 -0.40 -4.27 105.19 104.61 2dog n GLY 17 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 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 1.98 -0.09 -0.02 0.00 -1.24 -4.52 107.32 101.44 2dog s GLY 18 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.85 2dog s GLY 18 CO 0.00 0.37 -0.15 1.08 0.00 0.00 0.00 173.10 174.40 2dog s LEU 19 N -4.25 1.72 -0.53 0.66 1.43 -0.51 0.59 118.68 117.79 2dog s LEU 19 Ca 0.58 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 2dog s LEU 19 Cb -0.10 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 2dog s LEU 19 CO 0.35 0.04 1.87 -0.13 0.23 0.00 0.00 176.35 178.71 2dog s ARG 20 N 0.76 2.79 -0.24 1.70 0.52 -0.74 0.43 118.95 124.17 2dog s ARG 20 Ca -0.12 0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 55.87 2dog s ARG 20 Cb -0.16 -4.34 -0.04 0.00 0.52 0.00 0.00 34.95 30.93 2dog s ARG 20 CO 0.02 -2.53 0.10 0.12 0.02 0.00 0.00 175.30 173.03 2dog s PHE 21 N 8.65 3.16 -0.51 -0.53 5.36 0.27 -0.14 117.98 134.25 2dog s PHE 21 Ca 0.72 -0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 56.48 2dog s PHE 21 Cb -0.15 -2.23 0.13 0.00 -0.34 0.00 0.00 43.02 40.43 2dog s PHE 21 CO 0.24 -0.17 0.33 0.50 -1.46 0.00 0.00 175.22 174.66 2dog s ARG 22 N 1.32 2.35 0.16 10.12 3.52 -0.59 -3.56 118.95 132.27 2dog s ARG 22 Ca 0.06 -2.05 -0.03 0.00 -0.13 0.00 0.00 55.73 53.57 2dog s ARG 22 Cb -0.15 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.47 2dog s ARG 22 CO 0.05 -1.14 0.15 0.20 -0.81 0.00 0.00 175.30 173.74 2dog s GLY 23 N 1.69 0.96 0.86 8.12 0.00 -1.26 -1.88 107.32 115.80 2dog s GLY 23 Ca 0.11 -1.37 -0.17 0.00 0.00 0.00 0.00 44.72 43.29 2dog s GLY 23 CO -0.03 -1.22 -0.55 -1.84 0.00 0.00 0.00 173.10 169.46 2dog n GLU 24 N -0.18 -0.00 0.21 2.90 0.28 -0.62 -4.81 120.64 118.43 2dog n GLU 24 Ca -0.04 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.11 2dog n GLU 24 Cb 0.64 -1.05 0.61 0.00 1.43 0.00 0.00 31.44 33.07 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 -0.73 0.00 0.00 3.44 0.13 -2.01 -2.74 132.00 130.09 2dog h PRO 25 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2dog h PRO 25 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2dog h PRO 25 CO 0.29 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.61 2dog n VAL 26 N -2.69 0.96 0.32 1.56 3.14 -1.26 -2.14 118.33 118.22 2dog n VAL 26 Ca 0.01 0.34 0.14 0.00 -2.96 0.00 0.00 64.34 61.87 2dog n VAL 26 Cb 0.26 -1.26 0.61 0.00 -1.06 0.00 0.00 33.84 32.39 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 -2.10 116.25 116.94 2dog h VAL 27 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2dog h VAL 27 Cb 0.26 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 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 -2.47 0.00 -0.37 3.16 4.77 -0.91 -2.03 117.00 119.15 2dog n LEU 28 Ca 0.01 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 2dog n LEU 28 Cb 0.18 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2dog n LEU 28 CO 0.19 -0.02 0.58 1.41 -1.33 0.00 0.00 177.39 178.22 2dog n HIS 29 N -1.05 0.28 -3.74 -1.77 8.25 -0.79 -5.02 115.22 111.38 2dog n HIS 29 Ca 0.15 -0.54 -0.26 0.00 -0.26 0.00 0.00 57.72 56.81 2dog n HIS 29 Cb 0.09 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.16 4.24 -0.00 2.41 1.43 -0.86 -4.90 118.68 119.84 2dog s LEU 30 Ca 0.15 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 2dog s LEU 30 Cb 0.09 -3.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.14 2dog s LEU 30 CO 0.09 -0.05 0.18 -1.84 0.23 0.00 0.00 176.35 174.95 2dog n GLU 31 N -0.82 2.97 -4.12 1.70 0.28 -1.26 -5.01 120.64 114.38 2dog n GLU 31 Ca -0.06 -0.02 -0.14 0.00 -0.16 0.00 0.00 57.16 56.78 2dog n GLU 31 Cb 0.54 -0.92 -0.05 0.00 1.43 0.00 0.00 31.44 32.44 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2dog s ARG 32 N -1.90 1.78 0.28 3.44 1.70 -1.26 -3.11 118.95 119.88 2dog s ARG 32 Ca 0.00 -1.73 -0.07 0.00 -0.47 0.00 0.00 55.73 53.46 2dog s ARG 32 Cb 0.04 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2dog s ARG 32 CO 0.23 -0.71 0.44 0.14 -1.08 0.00 0.00 175.30 174.31 2dog s VAL 33 N -3.33 0.00 -0.12 4.99 -7.23 0.15 -4.74 120.40 110.12 2dog s VAL 33 Ca 0.32 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 2dog s VAL 33 Cb 0.01 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.54 2dog s VAL 33 CO 0.19 0.00 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.45 2dog s TYR 34 N -3.62 1.41 -0.79 2.82 5.04 -1.14 -1.34 117.35 119.73 2dog s TYR 34 Ca 0.28 -0.73 -0.22 0.00 -2.44 0.00 0.00 57.07 53.96 2dog s TYR 34 Cb 0.00 -1.19 0.08 0.00 0.35 0.00 0.00 41.96 41.21 2dog s TYR 34 CO 0.14 -0.51 1.09 0.08 -1.34 0.00 0.00 175.55 175.01 2dog s VAL 35 N 1.73 4.36 -0.51 3.14 1.01 -0.60 -1.87 120.40 127.67 2dog s VAL 35 Ca 0.04 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2dog s VAL 35 Cb -0.13 -4.78 -0.08 0.00 0.00 0.00 0.00 36.38 31.40 2dog s VAL 35 CO -0.08 -1.56 2.43 1.21 0.00 0.00 0.00 175.10 177.10 2dog n GLU 36 N 7.60 1.00 0.00 2.72 2.13 -0.97 -2.13 120.64 130.99 2dog n GLU 36 Ca 0.10 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2dog n GLU 36 Cb 0.47 -3.41 0.00 0.00 0.27 0.00 0.00 31.44 28.78 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 6.04 4.04 0.09 8.31 0.00 -1.26 -4.40 105.19 118.01 2dog n GLY 37 Ca 0.38 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.79 1.61 8.25 -0.91 -5.16 115.22 115.23 2dog n HIS 38 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 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 3.35 0.95 3.68 -1.41 0.00 -1.18 -5.04 105.19 105.53 2dog n GLY 39 Ca 0.00 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.33 3.32 0.15 1.61 0.52 -1.26 -1.55 118.94 119.40 2dog s TRP 40 Ca 0.17 1.38 0.07 0.00 0.02 0.00 0.00 56.10 57.73 2dog s TRP 40 Cb -0.04 -3.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 2dog s TRP 40 CO 0.11 -0.83 -0.03 1.03 0.02 0.00 0.00 176.95 177.25 2dog s ARG 41 N 2.24 2.34 0.01 4.98 1.81 -0.45 -4.87 118.95 125.01 2dog s ARG 41 Ca 0.52 -1.06 0.01 0.00 -1.72 0.00 0.00 55.73 53.48 2dog s ARG 41 Cb -0.21 -2.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.89 2dog s ARG 41 CO 0.19 0.48 0.04 0.00 -0.68 0.00 0.00 175.30 175.33 2dog s ALA 42 N -1.56 3.45 -0.06 2.13 0.00 -1.26 0.31 121.76 124.76 2dog s ALA 42 Ca 0.26 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 2dog s ALA 42 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2dog s ALA 42 CO 0.17 0.68 0.73 0.42 0.00 0.00 0.00 175.76 177.77 2dog s ILE 43 N -1.18 5.03 -0.19 0.00 1.01 -1.18 -1.22 121.20 123.46 2dog s ILE 43 Ca 0.23 1.52 0.02 0.00 0.00 0.00 0.00 60.65 62.41 2dog s ILE 43 Cb -0.12 -4.07 -0.12 0.00 0.01 0.00 0.00 42.46 38.15 2dog s ILE 43 CO 0.14 0.24 -0.16 -0.62 0.00 0.00 0.00 174.94 174.54 2dog n GLU 44 N 3.81 0.50 -3.64 2.79 -0.58 -0.66 -4.81 120.64 118.05 2dog n GLU 44 Ca -0.00 0.11 -0.06 0.00 -0.42 0.00 0.00 57.16 56.78 2dog n GLU 44 Cb 0.51 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.94 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 -5.79 -0.95 0.01 1.62 1.01 -1.23 -5.03 116.67 106.31 2dog s ASP 45 Ca -0.25 1.49 -0.12 0.00 0.71 0.00 0.00 52.55 54.39 2dog s ASP 45 Cb 0.06 1.46 0.01 0.00 1.01 0.00 0.00 42.92 45.47 2dog s ASP 45 CO 0.44 -0.23 0.24 -1.48 0.21 0.00 0.00 175.17 174.35 2dog s LEU 46 N 1.74 1.13 -0.18 1.23 0.05 -1.26 -0.59 118.68 120.80 2dog s LEU 46 Ca -0.10 -0.12 -0.28 0.00 0.05 0.00 0.00 54.13 53.69 2dog s LEU 46 Cb -0.06 1.08 0.07 0.00 -2.05 0.00 0.00 46.19 45.23 2dog s LEU 46 CO -0.20 -0.48 0.71 -0.72 -0.55 0.00 0.00 176.35 175.12 2dog s TYR 47 N -1.77 -0.72 -0.77 3.48 -0.85 -1.16 -5.00 117.35 110.55 2dog s TYR 47 Ca -0.11 1.55 -0.27 0.00 -0.52 0.00 0.00 57.07 57.73 2dog s TYR 47 Cb -0.04 0.33 0.03 0.00 0.38 0.00 0.00 41.96 42.66 2dog s TYR 47 CO 0.01 -0.47 1.30 -0.98 -1.52 0.00 0.00 175.55 173.89 2dog s ARG 48 N -0.31 3.24 -0.57 -3.49 1.70 -1.26 -2.12 118.95 116.13 2dog s ARG 48 Ca -0.05 -0.34 -0.28 0.00 -0.47 0.00 0.00 55.73 54.59 2dog s ARG 48 Cb -0.03 -4.33 0.03 0.00 -0.57 0.00 0.00 34.95 30.05 2dog s ARG 48 CO 0.05 -2.16 1.23 0.08 -1.08 0.00 0.00 175.30 173.42 2dog s VAL 49 N 5.66 3.98 0.00 4.99 1.01 0.28 -4.79 120.40 131.54 2dog s VAL 49 Ca 0.36 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2dog s VAL 49 Cb -0.07 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2dog s VAL 49 CO 0.12 -1.30 0.00 0.61 0.00 0.00 0.00 175.10 174.53 2dog n GLY 50 N 5.09 0.52 1.20 4.51 0.00 -1.26 -0.74 105.19 114.51 2dog n GLY 50 Ca 0.09 0.62 -0.06 0.00 0.00 0.00 0.00 46.02 46.68 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 2.01 -3.99 1.61 -0.58 -1.26 -5.02 120.64 113.42 2dog n GLU 51 Ca 0.00 -3.34 -0.12 0.00 -0.42 0.00 0.00 57.16 53.29 2dog n GLU 51 Cb 0.00 -1.85 -0.03 0.00 -0.57 0.00 0.00 31.44 29.00 2dog n GLU 51 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dog s GLU 52 N -3.32 1.90 -0.01 3.49 2.02 0.08 -5.16 118.70 117.71 2dog s GLU 52 Ca 0.45 -1.53 0.02 0.00 0.02 0.00 0.00 54.97 53.93 2dog s GLU 52 Cb 0.40 0.50 -0.01 0.00 0.10 0.00 0.00 34.13 35.13 2dog s GLU 52 CO -0.01 -0.82 -0.08 -0.51 0.02 0.00 0.00 175.26 173.85 2dog s LEU 53 N -3.13 2.00 -0.27 1.80 1.43 -1.23 0.10 118.68 119.38 2dog s LEU 53 Ca 0.24 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2dog s LEU 53 Cb -0.02 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.87 2dog s LEU 53 CO 0.15 0.09 -0.01 -0.69 0.23 0.00 0.00 176.35 176.12 2dog s VAL 54 N -0.17 1.63 -0.12 -1.59 1.01 -0.90 0.97 120.40 121.24 2dog s VAL 54 Ca 0.03 -1.52 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 2dog s VAL 54 Cb -0.03 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2dog s VAL 54 CO -0.00 -0.29 0.33 -0.69 0.00 0.00 0.00 175.10 174.45 2dog s VAL 55 N 1.30 5.24 -0.49 2.92 1.01 0.17 -3.01 120.40 127.55 2dog s VAL 55 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 2dog s VAL 55 Cb -0.19 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.64 2dog s VAL 55 CO -0.09 0.44 0.39 -1.00 0.00 0.00 0.00 175.10 174.84 2dog s HIS 56 N 0.04 3.33 0.65 5.22 3.76 0.24 -1.42 115.29 127.12 2dog s HIS 56 Ca 0.19 -1.51 -0.15 0.00 -0.15 0.00 0.00 55.06 53.45 2dog s HIS 56 Cb -0.14 -3.48 -0.00 0.00 1.11 0.00 0.00 32.58 30.06 2dog s HIS 56 CO 0.07 -0.96 1.10 -0.51 -0.85 0.00 0.00 174.74 173.59 2dog s LEU 57 N 1.49 3.38 0.11 0.89 1.43 -1.26 -1.65 118.68 123.07 2dog s LEU 57 Ca 0.04 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 54.79 2dog s LEU 57 Cb -0.27 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.34 2dog s LEU 57 CO 0.02 -1.57 1.27 0.00 0.23 0.00 0.00 176.35 176.30 2dog s ALA 58 N -2.40 3.48 0.00 4.21 0.00 -0.36 -3.19 121.76 123.50 2dog s ALA 58 Ca 0.66 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.60 2dog s ALA 58 Cb -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2dog s ALA 58 CO 0.42 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2dog n GLY 59 N 3.07 3.11 3.55 0.00 0.00 -1.26 -4.84 105.19 108.82 2dog n GLY 59 Ca 0.09 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.98 3.46 -0.08 1.61 1.01 -1.19 -4.74 120.40 119.49 2dog s VAL 60 Ca 0.00 0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.37 2dog s VAL 60 Cb 0.00 -4.17 0.17 0.00 0.00 0.00 0.00 36.38 32.38 2dog s VAL 60 CO 0.00 -1.12 1.06 0.35 0.00 0.00 0.00 175.10 175.39 2dog n THR 61 N 7.02 1.26 -3.76 3.92 -2.24 -1.26 -4.56 114.28 114.65 2dog n THR 61 Ca 0.16 -1.48 -0.13 0.00 -2.27 0.00 0.00 64.05 60.33 2dog n THR 61 Cb 0.51 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.03 -0.23 0.36 3.42 1.47 -1.25 -4.36 116.67 114.05 2dog s ASP 62 Ca 0.19 0.25 0.14 0.00 1.18 0.00 0.00 52.55 54.30 2dog s ASP 62 Cb 0.16 0.42 0.97 0.00 -0.34 0.00 0.00 42.92 44.13 2dog s ASP 62 CO 0.02 -0.35 1.76 -0.09 0.68 0.00 0.00 175.17 177.19 2dog h ARG 63 N 4.39 0.50 0.28 2.11 2.43 -1.83 -2.24 114.38 120.03 2dog h ARG 63 Ca -0.29 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 2dog h ARG 63 Cb 1.18 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2dog h ARG 63 CO 0.37 0.33 -0.19 1.15 -1.51 0.00 0.00 179.97 180.12 2dog h THR 64 N 0.52 0.00 -0.97 0.20 2.02 -1.96 0.14 112.91 112.85 2dog h THR 64 Ca 0.60 0.00 0.29 0.00 0.77 0.00 0.00 66.41 68.07 2dog h THR 64 Cb 1.30 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.56 2dog h THR 64 CO -0.36 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 175.96 2dog h LEU 65 N -0.45 0.42 0.33 2.58 3.38 -1.86 -0.02 115.31 119.70 2dog h LEU 65 Ca -0.04 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dog h LEU 65 Cb 0.36 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dog h LEU 65 CO 0.03 -0.11 -0.16 0.00 0.09 0.00 0.00 178.44 178.29 2dog h ALA 66 N 1.82 -0.44 -1.12 1.53 0.00 -1.14 -2.85 119.26 117.05 2dog h ALA 66 Ca 0.68 -0.16 0.31 0.00 0.00 0.00 0.00 54.91 55.74 2dog h ALA 66 Cb 1.48 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 2dog h ALA 66 CO -0.60 -0.64 0.76 0.93 0.00 0.00 0.00 179.25 179.70 2dog h GLU 67 N -0.67 0.21 -0.13 0.00 5.08 0.12 0.78 114.58 119.96 2dog h GLU 67 Ca -0.05 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2dog h GLU 67 Cb 0.47 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2dog h GLU 67 CO 0.07 0.14 -0.31 0.00 -1.00 0.00 0.00 179.01 177.91 2dog h ALA 68 N 1.54 1.22 -0.64 3.43 0.00 -1.13 -2.54 119.26 121.14 2dog h ALA 68 Ca 0.60 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2dog h ALA 68 Cb 1.90 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.51 2dog h ALA 68 CO -0.20 0.52 0.19 1.28 0.00 0.00 0.00 179.25 181.05 2dog n LEU 69 N -4.10 5.60 -4.59 0.00 4.77 0.27 -4.90 117.00 114.05 2dog n LEU 69 Ca -0.01 -2.90 -0.37 0.00 -0.03 0.00 0.00 56.01 52.71 2dog n LEU 69 Cb 0.41 -0.71 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2dog n LEU 69 CO 0.41 0.72 -0.21 -0.69 -1.33 0.00 0.00 177.39 176.29 2dog s VAL 70 N -2.69 5.03 0.00 4.08 1.01 -0.91 -4.34 120.40 122.59 2dog s VAL 70 Ca 0.49 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2dog s VAL 70 Cb 0.39 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2dog s VAL 70 CO 0.13 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2dog n GLY 71 N 4.58 0.66 3.83 4.51 0.00 -1.26 -5.03 105.19 112.48 2dog n GLY 71 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 2.54 -0.01 0.99 1.43 -1.26 -4.83 118.68 117.55 2dog s LEU 72 Ca 0.00 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2dog s LEU 72 Cb 0.00 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2dog s LEU 72 CO 0.00 -1.92 0.05 -0.13 0.23 0.00 0.00 176.35 174.58 2dog s ARG 73 N -5.29 2.96 -0.20 1.70 3.00 -1.26 -2.72 118.95 117.14 2dog s ARG 73 Ca 0.61 -0.53 -0.13 0.00 0.00 0.00 0.00 55.73 55.68 2dog s ARG 73 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 34.95 31.98 2dog s ARG 73 CO 0.53 0.64 0.29 0.08 0.00 0.00 0.00 175.30 176.83 2dog s VAL 74 N -1.15 5.29 0.23 3.52 1.01 -0.51 -2.29 120.40 126.50 2dog s VAL 74 Ca 0.21 0.49 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2dog s VAL 74 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2dog s VAL 74 CO 0.12 0.33 0.30 -0.31 0.00 0.00 0.00 175.10 175.54 2dog s TYR 75 N 0.91 3.35 0.40 5.22 1.51 -0.78 -2.83 117.35 125.12 2dog s TYR 75 Ca 0.15 -0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 2dog s TYR 75 Cb -0.14 -1.53 -0.08 0.00 -0.11 0.00 0.00 41.96 40.11 2dog s TYR 75 CO 0.05 0.47 0.01 0.00 -1.11 0.00 0.00 175.55 174.97 2dog s ALA 76 N -1.99 3.12 -0.02 3.71 0.00 0.11 -2.87 121.76 123.82 2dog s ALA 76 Ca 0.34 -2.29 0.08 0.00 0.00 0.00 0.00 51.96 50.08 2dog s ALA 76 Cb -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2dog s ALA 76 CO 0.28 -0.12 -0.25 -2.00 0.00 0.00 0.00 175.76 173.66 2dog s GLU 77 N -3.72 2.12 0.00 0.00 2.12 -1.26 -1.85 118.70 116.11 2dog s GLU 77 Ca 0.35 -0.92 0.16 0.00 0.36 0.00 0.00 54.97 54.92 2dog s GLU 77 Cb 0.10 -2.07 0.95 0.00 0.26 0.00 0.00 34.13 33.37 2dog s GLU 77 CO 0.18 0.56 1.45 0.28 -0.54 0.00 0.00 175.26 177.19 2dog n VAL 78 N 2.36 0.00 -0.06 3.70 0.31 -1.21 -2.62 118.33 120.81 2dog n VAL 78 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 2dog n VAL 78 Cb 0.51 -0.44 -0.16 0.00 -0.91 0.00 0.00 33.84 32.84 2dog n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dog n ALA 79 N -0.82 2.08 1.08 3.52 0.00 -1.26 -4.27 120.51 120.84 2dog n ALA 79 Ca 0.12 -0.97 0.12 0.00 0.00 0.00 0.00 53.44 52.71 2dog n ALA 79 Cb 0.05 -0.44 0.12 0.00 0.00 0.00 0.00 19.45 19.18 2dog n ALA 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dog n ASP 80 N -2.54 1.75 -4.86 0.00 8.00 -1.08 -4.93 116.55 112.90 2dog n ASP 80 Ca -0.20 -1.35 -0.29 0.00 0.71 0.00 0.00 54.79 53.66 2dog n ASP 80 Cb 0.90 0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 42.30 2dog n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dog s LEU 81 N -2.46 4.09 0.48 0.64 1.43 -1.16 -4.76 118.68 116.93 2dog s LEU 81 Ca 0.21 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 2dog s LEU 81 Cb 0.19 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.63 2dog s LEU 81 CO 0.55 0.13 1.16 -2.16 0.23 0.00 0.00 176.35 176.25 2dog s PRO 82 N -2.72 3.66 0.99 1.29 0.04 -1.26 -4.96 135.00 132.05 2dog s PRO 82 Ca 0.32 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 2dog s PRO 82 Cb -0.12 -2.31 0.18 0.00 0.04 0.00 0.00 34.50 32.29 2dog s PRO 82 CO 0.25 -0.62 1.09 -1.25 0.04 0.00 0.00 177.00 176.52 2dog s PRO 83 N -2.84 0.51 0.38 0.56 0.04 -1.26 -4.96 135.00 127.44 2dog s PRO 83 Ca 0.66 0.55 0.21 0.00 0.04 0.00 0.00 61.00 62.46 2dog s PRO 83 Cb -0.27 -1.74 0.40 0.00 0.04 0.00 0.00 34.50 32.92 2dog s PRO 83 CO 0.33 -2.68 1.61 1.37 0.04 0.00 0.00 177.00 177.66 2dog h LEU 84 N -1.86 0.00 -1.09 -3.56 -0.00 -2.02 -3.56 115.31 103.22 2dog h LEU 84 Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 2dog h LEU 84 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2dog h LEU 84 CO 0.57 0.25 0.00 -1.84 -0.00 0.00 0.00 178.44 177.42