#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 1.22 0.24 0.03 0.52 -1.26 -4.86 118.95 114.84 2dog s ARG 2 Ca 0.00 -0.26 0.11 0.00 -0.52 0.00 0.00 55.73 55.05 2dog s ARG 2 Cb 0.00 -4.94 -0.05 0.00 0.52 0.00 0.00 34.95 30.48 2dog s ARG 2 CO 0.00 -5.37 -0.20 -0.51 0.02 0.00 0.00 175.30 169.24 2dog s LEU 3 N 16.79 2.54 -0.18 2.53 1.43 -1.26 -3.64 118.68 136.90 2dog s LEU 3 Ca 0.84 -0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 2dog s LEU 3 Cb -0.06 -1.02 0.06 0.00 0.03 0.00 0.00 46.19 45.20 2dog s LEU 3 CO 0.17 0.02 0.65 0.68 0.23 0.00 0.00 176.35 178.10 2dog s VAL 4 N -2.37 0.00 -0.10 -1.59 -7.23 -0.63 -4.93 120.40 103.55 2dog s VAL 4 Ca 0.26 -0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 2dog s VAL 4 Cb -0.05 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 2dog s VAL 4 CO 0.12 -0.01 1.07 -0.70 -0.31 0.00 0.00 175.10 175.27 2dog s GLU 5 N -0.19 4.38 -0.16 4.82 2.12 -1.26 -0.19 118.70 128.22 2dog s GLU 5 Ca -0.04 1.48 -0.01 0.00 0.36 0.00 0.00 54.97 56.76 2dog s GLU 5 Cb -0.03 -3.56 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 2dog s GLU 5 CO 0.04 -0.39 -0.16 0.44 -0.54 0.00 0.00 175.26 174.65 2dog n ILE 6 N 4.66 0.90 -4.20 -3.70 -5.35 -0.96 -4.96 119.36 105.75 2dog n ILE 6 Ca 0.10 -0.32 -0.18 0.00 -0.27 0.00 0.00 62.75 62.09 2dog n ILE 6 Cb 0.48 -1.22 -0.06 0.00 -1.74 0.00 0.00 39.64 37.09 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 -5.46 2.00 0.03 3.28 0.00 -1.25 -4.17 107.32 101.75 2dog s GLY 7 Ca -0.22 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 42.64 2dog s GLY 7 CO 0.34 -1.29 -0.02 -1.60 0.00 0.00 0.00 173.10 170.54 2dog s ARG 8 N -3.28 0.40 -0.06 2.90 3.52 -0.60 -1.29 118.95 120.54 2dog s ARG 8 Ca 0.37 -0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 54.95 2dog s ARG 8 Cb 0.01 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 2dog s ARG 8 CO 0.25 -0.07 0.81 -0.06 -0.81 0.00 0.00 175.30 175.42 2dog s PHE 9 N -2.10 3.59 0.00 5.12 0.08 -1.21 -0.44 117.98 123.02 2dog s PHE 9 Ca -0.10 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.35 2dog s PHE 9 Cb -0.05 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2dog s PHE 9 CO -0.03 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 2dog n GLY 10 N 3.08 0.20 3.49 4.36 0.00 0.78 -3.48 105.19 113.62 2dog n GLY 10 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.27 2.70 -0.18 4.61 0.00 -1.26 -4.60 121.76 118.75 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 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 2dog s ALA 11 CO 0.00 0.59 1.58 -1.25 0.00 0.00 0.00 175.76 176.69 2dog s PRO 12 N -1.92 3.92 1.17 0.00 0.04 -1.26 -1.94 135.00 135.00 2dog s PRO 12 Ca 0.17 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2dog s PRO 12 Cb -0.11 -4.00 0.23 0.00 0.04 0.00 0.00 34.50 30.67 2dog s PRO 12 CO 0.09 -1.14 0.48 0.98 0.04 0.00 0.00 177.00 177.45 2dog n TYR 13 N 7.99 -2.58 -0.95 0.56 9.36 0.59 -4.87 117.16 127.25 2dog n TYR 13 Ca 0.18 -0.23 -0.36 0.00 3.32 0.00 0.00 57.90 60.81 2dog n TYR 13 Cb 0.45 -1.41 0.06 0.00 -0.63 0.00 0.00 39.34 37.80 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 -4.86 -4.93 -0.58 2.98 0.00 -1.26 -4.42 120.51 107.43 2dog n ALA 14 Ca 0.07 -0.77 0.47 0.00 0.00 0.00 0.00 53.44 53.21 2dog n ALA 14 Cb 0.47 -1.24 0.80 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.15 0.00 -1.41 0.00 3.38 -1.94 -0.28 115.31 113.92 2dog h LEU 15 Ca -0.44 0.00 0.43 0.00 0.09 0.00 0.00 57.88 57.97 2dog h LEU 15 Cb 1.31 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2dog h LEU 15 CO 0.26 -0.00 0.98 0.29 0.09 0.00 0.00 178.44 180.05 2dog n LYS 16 N -4.03 -0.01 0.00 1.13 5.02 -1.26 -3.29 118.16 115.73 2dog n LYS 16 Ca 0.38 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.58 2dog n LYS 16 Cb 1.77 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 2dog n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dog n GLY 17 N -1.62 1.38 3.85 0.72 0.00 -0.12 -4.17 105.19 105.23 2dog n GLY 17 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 2.26 -0.13 -0.02 0.00 -1.23 -4.54 107.32 101.66 2dog s GLY 18 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.81 2dog s GLY 18 CO 0.00 0.30 -0.18 1.08 0.00 0.00 0.00 173.10 174.30 2dog s LEU 19 N -3.25 1.88 -0.51 0.66 1.43 -0.68 0.22 118.68 118.42 2dog s LEU 19 Ca 0.55 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2dog s LEU 19 Cb -0.10 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2dog s LEU 19 CO 0.20 0.03 1.87 -0.13 0.23 0.00 0.00 176.35 178.55 2dog s ARG 20 N 1.00 2.82 -0.19 1.70 0.52 -0.82 0.06 118.95 124.03 2dog s ARG 20 Ca -0.05 0.92 -0.09 0.00 -0.52 0.00 0.00 55.73 55.99 2dog s ARG 20 Cb -0.15 -4.34 -0.05 0.00 0.52 0.00 0.00 34.95 30.94 2dog s ARG 20 CO -0.03 -2.49 0.11 0.12 0.02 0.00 0.00 175.30 173.03 2dog s PHE 21 N 8.59 3.38 -0.53 -0.53 5.36 0.16 -0.16 117.98 134.25 2dog s PHE 21 Ca 0.73 0.27 -0.06 0.00 -0.96 0.00 0.00 56.93 56.91 2dog s PHE 21 Cb -0.16 -2.13 0.14 0.00 -0.34 0.00 0.00 43.02 40.53 2dog s PHE 21 CO 0.25 0.27 0.38 0.50 -1.46 0.00 0.00 175.22 175.16 2dog s ARG 22 N 0.30 2.49 0.20 10.12 3.52 0.42 -3.41 118.95 132.60 2dog s ARG 22 Ca 0.07 -2.05 -0.04 0.00 -0.13 0.00 0.00 55.73 53.58 2dog s ARG 22 Cb -0.11 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.40 2dog s ARG 22 CO -0.01 -1.17 0.20 0.20 -0.81 0.00 0.00 175.30 173.70 2dog s GLY 23 N 1.90 1.18 0.97 8.12 0.00 -1.26 -1.55 107.32 116.67 2dog s GLY 23 Ca 0.10 -1.48 -0.13 0.00 0.00 0.00 0.00 44.72 43.21 2dog s GLY 23 CO -0.03 -1.22 0.58 -1.84 0.00 0.00 0.00 173.10 170.59 2dog n GLU 24 N -0.27 -0.59 0.19 2.90 0.00 -1.26 -4.87 120.64 116.73 2dog n GLU 24 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 57.16 57.18 2dog n GLU 24 Cb 0.65 -1.99 0.58 0.00 0.00 0.00 0.00 31.44 30.68 2dog n GLU 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2dog h PRO 25 N -1.77 0.00 0.00 3.44 0.13 -2.01 -2.78 132.00 129.01 2dog h PRO 25 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2dog h PRO 25 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dog h PRO 25 CO 0.37 0.00 0.00 -0.24 -0.23 0.00 0.00 178.00 177.90 2dog h VAL 26 N 0.00 0.00 0.00 1.56 3.04 -2.04 -2.41 116.25 116.40 2dog h VAL 26 Ca 0.00 -0.31 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2dog h VAL 26 Cb 0.41 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2dog h VAL 26 CO 0.00 0.00 -0.00 1.62 -1.01 0.00 0.00 177.57 178.18 2dog h VAL 27 N 0.00 0.02 0.00 1.51 3.04 -1.84 -1.09 116.25 117.89 2dog h VAL 27 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2dog h VAL 27 Cb 0.32 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 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 -3.11 0.00 -0.03 3.16 4.77 -0.91 -0.94 117.00 119.94 2dog n LEU 28 Ca -0.03 0.26 0.06 0.00 -0.03 0.00 0.00 56.01 56.27 2dog n LEU 28 Cb 0.09 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2dog n LEU 28 CO 0.21 -0.19 -0.00 1.41 -1.33 0.00 0.00 177.39 177.49 2dog n HIS 29 N -1.26 0.00 -1.73 -1.77 8.25 -0.41 -5.01 115.22 113.30 2dog n HIS 29 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 2dog n HIS 29 Cb 0.06 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.52 2.26 0.00 2.41 1.43 -0.11 -5.02 118.68 117.12 2dog s LEU 30 Ca 0.05 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 2dog s LEU 30 Cb 0.10 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2dog s LEU 30 CO 0.50 -2.42 0.00 -0.62 0.23 0.00 0.00 176.35 174.04 2dog n GLU 31 N -3.64 0.63 -4.52 1.70 4.71 -1.26 -5.05 120.64 113.20 2dog n GLU 31 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 57.00 2dog n GLU 31 Cb 0.60 -0.69 -0.11 0.00 -1.01 0.00 0.00 31.44 30.24 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2dog s ARG 32 N -1.37 1.78 0.23 3.49 1.70 -1.26 -1.38 118.95 122.14 2dog s ARG 32 Ca 0.00 -2.00 -0.09 0.00 -0.47 0.00 0.00 55.73 53.17 2dog s ARG 32 Cb 0.00 -1.19 -0.02 0.00 -0.57 0.00 0.00 34.95 33.18 2dog s ARG 32 CO 0.00 -0.13 0.37 0.14 -1.08 0.00 0.00 175.30 174.60 2dog s VAL 33 N -3.05 0.00 -0.13 4.99 -7.23 0.11 -4.77 120.40 110.32 2dog s VAL 33 Ca 0.36 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2dog s VAL 33 Cb 0.09 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2dog s VAL 33 CO 0.17 0.00 -0.10 -0.47 -0.31 0.00 0.00 175.10 174.39 2dog s TYR 34 N -4.05 1.71 -0.80 2.82 5.04 -0.81 -0.57 117.35 120.69 2dog s TYR 34 Ca 0.28 -0.91 -0.22 0.00 -2.44 0.00 0.00 57.07 53.78 2dog s TYR 34 Cb 0.02 -1.35 0.08 0.00 0.35 0.00 0.00 41.96 41.05 2dog s TYR 34 CO 0.10 -0.57 1.13 0.08 -1.34 0.00 0.00 175.55 174.96 2dog s VAL 35 N 1.64 4.27 -0.52 3.14 1.01 -0.60 -1.43 120.40 127.90 2dog s VAL 35 Ca 0.05 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 2dog s VAL 35 Cb -0.13 -4.81 -0.08 0.00 0.00 0.00 0.00 36.38 31.37 2dog s VAL 35 CO -0.09 -1.61 2.43 1.21 0.00 0.00 0.00 175.10 177.04 2dog n GLU 36 N 7.85 0.99 0.00 2.72 4.07 -0.87 -2.11 120.64 133.29 2dog n GLU 36 Ca 0.11 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2dog n GLU 36 Cb 0.48 -3.41 0.00 0.00 -0.06 0.00 0.00 31.44 28.45 2dog n GLU 36 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dog n GLY 37 N 6.05 4.08 0.09 8.31 0.00 -1.26 -4.22 105.19 118.24 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 -3.78 1.61 8.25 -0.89 -5.16 115.22 115.25 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 3.46 0.96 3.74 -1.41 0.00 -1.18 -5.04 105.19 105.72 2dog n GLY 39 Ca 0.00 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.43 3.62 0.24 1.61 0.52 -1.26 -1.56 118.94 119.68 2dog s TRP 40 Ca 0.16 1.65 0.11 0.00 0.02 0.00 0.00 56.10 58.04 2dog s TRP 40 Cb -0.04 -3.25 -0.05 0.00 -1.15 0.00 0.00 33.47 28.98 2dog s TRP 40 CO 0.10 -0.50 -0.19 1.03 0.02 0.00 0.00 176.95 177.42 2dog s ARG 41 N -0.66 1.53 -0.03 4.98 1.81 0.27 -4.85 118.95 122.00 2dog s ARG 41 Ca 0.48 -1.66 0.03 0.00 -1.72 0.00 0.00 55.73 52.86 2dog s ARG 41 Cb -0.30 -1.58 -0.03 0.00 -0.45 0.00 0.00 34.95 32.60 2dog s ARG 41 CO 0.36 0.30 -0.11 0.00 -0.68 0.00 0.00 175.30 175.16 2dog s ALA 42 N -2.47 2.80 -0.04 2.13 0.00 -1.26 0.08 121.76 123.00 2dog s ALA 42 Ca 0.26 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 2dog s ALA 42 Cb -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2dog s ALA 42 CO 0.12 0.57 0.77 0.42 0.00 0.00 0.00 175.76 177.64 2dog s ILE 43 N -0.83 4.99 -0.16 0.00 1.01 -0.48 -0.14 121.20 125.59 2dog s ILE 43 Ca 0.13 1.61 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 2dog s ILE 43 Cb -0.11 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 2dog s ILE 43 CO 0.03 0.23 -0.19 -0.62 0.00 0.00 0.00 174.94 174.39 2dog n GLU 44 N 3.76 0.36 -3.69 2.79 -0.58 -0.90 -4.80 120.64 117.57 2dog n GLU 44 Ca 0.01 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.76 2dog n GLU 44 Cb 0.51 -1.15 -0.09 0.00 -0.57 0.00 0.00 31.44 30.15 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 -6.22 -0.59 0.17 1.62 1.01 -1.24 -5.04 116.67 106.38 2dog s ASP 45 Ca -0.22 1.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.98 2dog s ASP 45 Cb 0.08 1.09 0.02 0.00 1.01 0.00 0.00 42.92 45.12 2dog s ASP 45 CO 0.31 -0.19 0.45 -1.48 0.21 0.00 0.00 175.17 174.47 2dog s LEU 46 N 0.54 0.31 -0.25 1.23 0.05 -1.26 -0.96 118.68 118.33 2dog s LEU 46 Ca -0.02 -0.49 -0.26 0.00 0.05 0.00 0.00 54.13 53.41 2dog s LEU 46 Cb -0.04 1.91 0.12 0.00 -2.05 0.00 0.00 46.19 46.13 2dog s LEU 46 CO -0.03 -0.97 1.03 -0.72 -0.55 0.00 0.00 176.35 175.11 2dog s TYR 47 N -3.87 -0.44 -0.73 3.48 -0.85 -1.12 -5.00 117.35 108.82 2dog s TYR 47 Ca 0.08 1.02 -0.27 0.00 -0.52 0.00 0.00 57.07 57.39 2dog s TYR 47 Cb 0.01 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.75 2dog s TYR 47 CO -0.05 -0.25 1.38 -0.98 -1.52 0.00 0.00 175.55 174.13 2dog s ARG 48 N -0.08 3.11 -0.54 -3.49 1.70 -1.26 -2.07 118.95 116.32 2dog s ARG 48 Ca 0.02 -0.14 -0.27 0.00 -0.47 0.00 0.00 55.73 54.87 2dog s ARG 48 Cb -0.04 -4.27 0.03 0.00 -0.57 0.00 0.00 34.95 30.10 2dog s ARG 48 CO -0.05 -2.25 1.09 0.08 -1.08 0.00 0.00 175.30 173.09 2dog s VAL 49 N 6.27 4.20 0.00 4.99 1.01 0.26 -4.82 120.40 132.31 2dog s VAL 49 Ca 0.41 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2dog s VAL 49 Cb -0.08 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.67 2dog s VAL 49 CO 0.15 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.69 2dog n GLY 50 N 5.02 0.89 1.36 4.51 0.00 -1.26 -0.77 105.19 114.95 2dog n GLY 50 Ca 0.07 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.98 1.61 -0.58 -1.26 -5.00 120.64 113.43 2dog n GLU 51 Ca 0.00 -3.25 -0.12 0.00 -0.42 0.00 0.00 57.16 53.37 2dog n GLU 51 Cb 0.00 -1.90 -0.02 0.00 -0.57 0.00 0.00 31.44 28.95 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 -3.31 1.94 0.02 3.49 2.02 0.05 -5.16 118.70 117.75 2dog s GLU 52 Ca 0.47 -1.55 0.03 0.00 0.02 0.00 0.00 54.97 53.94 2dog s GLU 52 Cb 0.42 0.51 -0.01 0.00 0.10 0.00 0.00 34.13 35.14 2dog s GLU 52 CO 0.01 -0.84 -0.10 -0.51 0.02 0.00 0.00 175.26 173.84 2dog s LEU 53 N -3.14 2.11 -0.25 1.80 1.43 -1.22 0.90 118.68 120.31 2dog s LEU 53 Ca 0.24 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2dog s LEU 53 Cb -0.02 -0.43 0.06 0.00 0.03 0.00 0.00 46.19 45.83 2dog s LEU 53 CO 0.15 0.03 -0.05 -0.69 0.23 0.00 0.00 176.35 176.02 2dog s VAL 54 N -0.60 1.61 -0.17 -1.59 1.01 -0.88 0.38 120.40 120.15 2dog s VAL 54 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 2dog s VAL 54 Cb -0.06 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2dog s VAL 54 CO 0.00 -0.14 0.13 -0.69 0.00 0.00 0.00 175.10 174.40 2dog s VAL 55 N 1.35 5.44 -0.57 2.92 1.01 0.11 -2.79 120.40 127.85 2dog s VAL 55 Ca -0.05 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2dog s VAL 55 Cb -0.19 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 32.89 2dog s VAL 55 CO -0.07 0.50 0.45 -1.00 0.00 0.00 0.00 175.10 174.98 2dog s HIS 56 N -0.10 3.48 0.50 5.22 3.76 -0.13 -1.69 115.29 126.32 2dog s HIS 56 Ca 0.10 -2.05 -0.21 0.00 -0.15 0.00 0.00 55.06 52.75 2dog s HIS 56 Cb -0.11 -3.51 -0.07 0.00 1.11 0.00 0.00 32.58 30.00 2dog s HIS 56 CO 0.00 -0.96 1.14 -0.51 -0.85 0.00 0.00 174.74 173.56 2dog s LEU 57 N 0.85 3.89 0.30 0.89 1.43 -1.26 -2.13 118.68 122.66 2dog s LEU 57 Ca 0.10 2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 2dog s LEU 57 Cb -0.22 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.49 2dog s LEU 57 CO -0.03 -1.03 1.42 0.00 0.23 0.00 0.00 176.35 176.95 2dog s ALA 58 N -1.67 3.59 0.00 4.21 0.00 0.80 -2.72 121.76 125.97 2dog s ALA 58 Ca 0.68 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2dog s ALA 58 Cb -0.26 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2dog s ALA 58 CO 0.30 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2dog n GLY 59 N 1.45 2.85 3.56 0.00 0.00 -1.26 -4.74 105.19 107.04 2dog n GLY 59 Ca 0.04 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.27 3.75 -0.09 1.61 1.01 -1.10 -4.72 120.40 119.57 2dog s VAL 60 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 61.98 61.93 2dog s VAL 60 Cb 0.00 -4.81 0.21 0.00 0.00 0.00 0.00 36.38 31.78 2dog s VAL 60 CO 0.00 -1.72 1.10 0.35 0.00 0.00 0.00 175.10 174.82 2dog n THR 61 N 6.81 1.51 -3.81 3.92 -2.24 -1.26 -4.63 114.28 114.59 2dog n THR 61 Ca 0.21 -1.78 -0.12 0.00 -2.27 0.00 0.00 64.05 60.08 2dog n THR 61 Cb 0.50 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.33 -0.13 0.31 3.42 -4.77 -1.26 -4.45 116.67 107.46 2dog s ASP 62 Ca 0.23 0.08 0.07 0.00 -3.30 0.00 0.00 52.55 49.63 2dog s ASP 62 Cb 0.20 0.32 0.79 0.00 -1.09 0.00 0.00 42.92 43.14 2dog s ASP 62 CO 0.02 -0.33 1.75 -0.09 0.70 0.00 0.00 175.17 177.22 2dog h ARG 63 N 4.46 0.66 0.47 2.11 2.43 -1.86 -1.68 114.38 120.97 2dog h ARG 63 Ca -0.29 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2dog h ARG 63 Cb 1.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2dog h ARG 63 CO 0.39 0.43 -0.43 1.15 -1.51 0.00 0.00 179.97 180.00 2dog h THR 64 N 0.68 0.00 -0.64 0.20 2.02 -1.96 0.18 112.91 113.40 2dog h THR 64 Ca 0.60 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.90 2dog h THR 64 Cb 1.02 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.34 2dog h THR 64 CO -0.42 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.56 2dog h LEU 65 N -0.89 0.06 0.36 2.58 3.38 -1.81 -1.52 115.31 117.47 2dog h LEU 65 Ca -0.06 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2dog h LEU 65 Cb 0.76 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dog h LEU 65 CO -0.03 0.03 -0.26 0.00 0.09 0.00 0.00 178.44 178.28 2dog h ALA 66 N 1.49 -0.60 -0.99 1.53 0.00 -1.05 -2.39 119.26 117.25 2dog h ALA 66 Ca 0.34 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.35 2dog h ALA 66 Cb 0.50 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 2dog h ALA 66 CO -0.40 -0.86 0.62 0.93 0.00 0.00 0.00 179.25 179.54 2dog h GLU 67 N -0.61 0.60 -0.03 0.00 5.08 -0.01 0.45 114.58 120.06 2dog h GLU 67 Ca -0.03 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2dog h GLU 67 Cb 0.52 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2dog h GLU 67 CO 0.01 0.40 0.03 0.00 -1.00 0.00 0.00 179.01 178.44 2dog h ALA 68 N 1.64 1.88 -0.71 3.43 0.00 -0.78 -0.69 119.26 124.04 2dog h ALA 68 Ca 0.57 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.16 2dog h ALA 68 Cb 1.09 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 2dog h ALA 68 CO -0.34 -0.04 0.32 1.28 0.00 0.00 0.00 179.25 180.46 2dog n LEU 69 N -4.30 5.68 -4.41 0.00 4.77 0.16 -4.92 117.00 113.98 2dog n LEU 69 Ca -0.02 -3.53 -0.39 0.00 -0.03 0.00 0.00 56.01 52.04 2dog n LEU 69 Cb 0.12 -0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 40.35 2dog n LEU 69 CO 0.32 1.03 -0.19 -0.69 -1.33 0.00 0.00 177.39 176.52 2dog s VAL 70 N -3.18 4.56 0.00 4.08 1.01 -0.27 -4.40 120.40 122.20 2dog s VAL 70 Ca 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2dog s VAL 70 Cb 0.44 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2dog s VAL 70 CO 0.08 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2dog n GLY 71 N 4.98 1.30 3.72 4.51 0.00 -1.23 -5.04 105.19 113.43 2dog n GLY 71 Ca -0.13 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 1.92 -0.02 0.99 1.43 -1.26 -4.82 118.68 116.92 2dog s LEU 72 Ca 0.00 1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2dog s LEU 72 Cb 0.00 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2dog s LEU 72 CO 0.00 -2.80 0.07 -0.13 0.23 0.00 0.00 176.35 173.72 2dog s ARG 73 N -5.04 3.07 -0.06 1.70 3.00 -1.26 -3.28 118.95 117.08 2dog s ARG 73 Ca 0.64 -0.45 -0.17 0.00 0.00 0.00 0.00 55.73 55.74 2dog s ARG 73 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 34.95 31.86 2dog s ARG 73 CO 0.56 0.66 0.47 0.08 0.00 0.00 0.00 175.30 177.07 2dog s VAL 74 N -1.14 5.09 -0.02 3.52 1.01 -0.41 -2.06 120.40 126.40 2dog s VAL 74 Ca 0.21 0.95 0.06 0.00 0.00 0.00 0.00 61.98 63.19 2dog s VAL 74 Cb -0.12 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2dog s VAL 74 CO 0.11 0.42 -0.18 -0.31 0.00 0.00 0.00 175.10 175.14 2dog s TYR 75 N -0.05 2.56 0.35 5.22 1.51 -0.52 -2.26 117.35 124.17 2dog s TYR 75 Ca 0.26 -0.26 0.09 0.00 -1.01 0.00 0.00 57.07 56.15 2dog s TYR 75 Cb -0.16 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2dog s TYR 75 CO 0.12 0.15 -0.01 0.00 -1.11 0.00 0.00 175.55 174.69 2dog s ALA 76 N -0.76 3.14 -0.21 3.71 0.00 0.73 -1.93 121.76 126.45 2dog s ALA 76 Ca 0.12 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 50.07 2dog s ALA 76 Cb -0.10 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2dog s ALA 76 CO 0.01 0.05 -0.16 -2.00 0.00 0.00 0.00 175.76 173.66 2dog s GLU 77 N -3.69 2.73 0.60 0.00 2.12 -1.26 -1.61 118.70 117.58 2dog s GLU 77 Ca 0.34 -1.01 0.29 0.00 0.36 0.00 0.00 54.97 54.95 2dog s GLU 77 Cb 0.01 -2.70 1.47 0.00 0.26 0.00 0.00 34.13 33.17 2dog s GLU 77 CO 0.19 -0.34 1.88 0.28 -0.54 0.00 0.00 175.26 176.72 2dog h VAL 78 N 6.23 0.32 0.00 3.70 2.07 -1.96 0.17 116.25 126.78 2dog h VAL 78 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2dog h VAL 78 Cb 1.10 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2dog h VAL 78 CO 0.58 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.53 2dog h ALA 79 N 1.42 1.32 0.00 1.67 0.00 -1.94 -0.38 119.26 121.34 2dog h ALA 79 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 2dog h ALA 79 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2dog h ALA 79 CO -0.00 -0.32 -2.23 -0.25 0.00 0.00 0.00 179.25 176.45 2dog n ASP 80 N -2.49 2.26 -4.17 0.00 9.92 0.05 -5.02 116.55 117.10 2dog n ASP 80 Ca -0.01 -0.11 -0.38 0.00 -0.53 0.00 0.00 54.79 53.76 2dog n ASP 80 Cb 0.40 -0.29 0.03 0.00 -0.64 0.00 0.00 41.12 40.62 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dog n LEU 81 N -3.11 -4.20 -4.77 0.64 4.77 -0.15 -4.88 117.00 105.30 2dog n LEU 81 Ca -0.38 0.46 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 2dog n LEU 81 Cb 0.91 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2dog n LEU 81 CO 0.22 -5.14 0.81 -2.16 -1.33 0.00 0.00 177.39 169.80 2dog s PRO 82 N -1.57 3.61 0.24 3.23 0.04 -1.26 -4.99 135.00 134.30 2dog s PRO 82 Ca 0.51 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 2dog s PRO 82 Cb -0.36 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 2dog s PRO 82 CO 0.72 -0.66 1.28 -1.25 0.04 0.00 0.00 177.00 177.13 2dog s PRO 83 N -2.91 4.42 0.30 0.56 0.04 -1.26 -4.94 135.00 131.21 2dog s PRO 83 Ca 0.67 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.95 2dog s PRO 83 Cb -0.27 -3.17 0.13 0.00 0.04 0.00 0.00 34.50 31.24 2dog s PRO 83 CO 0.32 -0.17 1.37 1.37 0.04 0.00 0.00 177.00 179.93 2dog h LEU 84 N 4.73 0.00 -1.36 -3.56 8.10 -2.03 -3.57 115.31 117.63 2dog h LEU 84 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.53 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 0.73 0.24 0.00 -1.84 -4.11 0.00 0.00 178.44 173.47