#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 1.83 0.25 0.03 0.52 -1.26 -4.89 118.95 115.43 2dog s ARG 2 Ca 0.00 -0.23 0.10 0.00 -0.52 0.00 0.00 55.73 55.08 2dog s ARG 2 Cb 0.00 -4.98 -0.04 0.00 0.52 0.00 0.00 34.95 30.44 2dog s ARG 2 CO 0.00 -4.46 -0.09 -0.51 0.02 0.00 0.00 175.30 170.26 2dog s LEU 3 N 13.81 2.94 -0.11 2.53 1.43 -1.26 -3.71 118.68 134.31 2dog s LEU 3 Ca 0.80 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2dog s LEU 3 Cb -0.07 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2dog s LEU 3 CO 0.10 0.03 0.29 0.68 0.23 0.00 0.00 176.35 177.69 2dog s VAL 4 N -2.25 -0.01 -0.09 -1.59 -7.23 -0.76 -4.95 120.40 103.53 2dog s VAL 4 Ca 0.29 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 2dog s VAL 4 Cb -0.06 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 2dog s VAL 4 CO 0.17 0.01 1.29 -0.70 -0.31 0.00 0.00 175.10 175.56 2dog s GLU 5 N 0.36 4.28 -0.13 4.82 2.12 -1.26 -1.22 118.70 127.67 2dog s GLU 5 Ca -0.02 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.09 2dog s GLU 5 Cb -0.03 -3.67 -0.10 0.00 0.26 0.00 0.00 34.13 30.59 2dog s GLU 5 CO -0.01 -0.60 -0.09 0.44 -0.54 0.00 0.00 175.26 174.46 2dog n ILE 6 N 4.97 0.78 -3.88 -3.70 -5.35 -1.22 -4.98 119.36 105.98 2dog n ILE 6 Ca 0.13 -0.33 -0.08 0.00 -0.27 0.00 0.00 62.75 62.20 2dog n ILE 6 Cb 0.45 -0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 37.39 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 -5.16 0.21 0.04 3.28 0.00 -1.26 -1.70 107.32 102.74 2dog s GLY 7 Ca -0.16 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.00 2dog s GLY 7 CO 0.34 -0.28 -0.07 -1.60 0.00 0.00 0.00 173.10 171.48 2dog s ARG 8 N -3.51 0.51 0.19 2.90 3.52 -0.67 -1.77 118.95 120.11 2dog s ARG 8 Ca 0.15 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 2dog s ARG 8 Cb -0.05 -0.28 -0.08 0.00 -1.56 0.00 0.00 34.95 32.98 2dog s ARG 8 CO 0.09 0.05 1.11 -0.06 -0.81 0.00 0.00 175.30 175.68 2dog s PHE 9 N -1.29 3.57 0.00 5.12 0.08 -1.17 -1.90 117.98 122.40 2dog s PHE 9 Ca -0.09 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.55 2dog s PHE 9 Cb -0.09 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 2dog s PHE 9 CO 0.00 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 174.86 2dog n GLY 10 N 1.97 -0.11 3.41 4.36 0.00 0.16 -3.58 105.19 111.40 2dog n GLY 10 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.76 2.45 -0.21 4.61 0.00 -1.26 -4.47 121.76 119.12 2dog s ALA 11 Ca 0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 2dog s ALA 11 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2dog s ALA 11 CO 0.00 0.50 1.60 -1.25 0.00 0.00 0.00 175.76 176.61 2dog s PRO 12 N -2.28 3.84 1.26 0.00 0.04 -1.26 -1.84 135.00 134.76 2dog s PRO 12 Ca 0.17 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 2dog s PRO 12 Cb -0.09 -4.02 0.28 0.00 0.04 0.00 0.00 34.50 30.71 2dog s PRO 12 CO 0.08 -1.24 0.64 0.98 0.04 0.00 0.00 177.00 177.50 2dog n TYR 13 N 8.29 -2.89 -0.97 0.56 9.36 0.52 -4.89 117.16 127.14 2dog n TYR 13 Ca 0.18 -0.40 -0.37 0.00 3.32 0.00 0.00 57.90 60.63 2dog n TYR 13 Cb 0.45 -1.41 0.05 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 -5.17 -5.37 0.06 2.98 0.00 -1.26 -4.44 120.51 107.30 2dog n ALA 14 Ca 0.09 -0.96 0.20 0.00 0.00 0.00 0.00 53.44 52.77 2dog n ALA 14 Cb 0.50 -1.08 0.57 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.09 0.00 -1.20 0.00 3.38 -1.92 -0.64 115.31 113.83 2dog h LEU 15 Ca -0.43 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.79 2dog h LEU 15 Cb 1.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2dog h LEU 15 CO 0.24 0.00 1.05 0.11 0.09 0.00 0.00 178.44 179.92 2dog h LYS 16 N 0.00 0.00 0.00 1.13 1.57 -1.82 -3.36 116.57 114.09 2dog h LYS 16 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2dog h LYS 16 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.05 2dog h LYS 16 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2dog n GLY 17 N -1.66 1.06 3.83 3.86 0.00 -0.25 -4.50 105.19 107.54 2dog n GLY 17 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 2.22 -0.13 -0.02 0.00 -1.23 -4.45 107.32 101.70 2dog s GLY 18 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2dog s GLY 18 CO 0.00 0.54 -0.15 1.08 0.00 0.00 0.00 173.10 174.57 2dog s LEU 19 N -3.62 1.72 -0.46 0.66 1.43 -0.35 0.20 118.68 118.26 2dog s LEU 19 Ca 0.60 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 52.96 2dog s LEU 19 Cb -0.10 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2dog s LEU 19 CO 0.22 -0.02 2.08 -0.13 0.23 0.00 0.00 176.35 178.73 2dog s ARG 20 N 1.28 2.66 -0.25 1.70 0.52 -0.76 0.00 118.95 124.11 2dog s ARG 20 Ca 0.00 1.24 -0.08 0.00 -0.52 0.00 0.00 55.73 56.38 2dog s ARG 20 Cb -0.14 -4.41 -0.03 0.00 0.52 0.00 0.00 34.95 30.89 2dog s ARG 20 CO -0.07 -2.66 0.08 0.12 0.02 0.00 0.00 175.30 172.79 2dog s PHE 21 N 9.60 3.11 -0.55 -0.53 5.36 0.15 -0.66 117.98 134.45 2dog s PHE 21 Ca 0.85 -0.32 -0.09 0.00 -0.96 0.00 0.00 56.93 56.41 2dog s PHE 21 Cb -0.19 -2.24 0.14 0.00 -0.34 0.00 0.00 43.02 40.39 2dog s PHE 21 CO 0.27 -0.29 0.42 0.50 -1.46 0.00 0.00 175.22 174.66 2dog s ARG 22 N 1.52 2.65 0.26 10.12 6.06 -0.80 -3.69 118.95 135.06 2dog s ARG 22 Ca 0.06 -2.01 -0.00 0.00 -2.50 0.00 0.00 55.73 51.28 2dog s ARG 22 Cb -0.15 -3.96 -0.03 0.00 0.06 0.00 0.00 34.95 30.87 2dog s ARG 22 CO 0.04 -1.21 0.24 0.20 -2.50 0.00 0.00 175.30 172.08 2dog s GLY 23 N 2.24 1.60 0.90 8.12 0.00 -1.26 -1.67 107.32 117.25 2dog s GLY 23 Ca 0.09 -1.70 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 2dog s GLY 23 CO -0.02 -1.30 0.17 1.18 0.00 0.00 0.00 173.10 173.13 2dog n GLU 24 N -0.41 -0.10 0.14 2.90 -0.58 -0.69 -4.84 120.64 117.06 2dog n GLU 24 Ca 0.03 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 2dog n GLU 24 Cb 0.64 -1.65 0.51 0.00 -0.57 0.00 0.00 31.44 30.37 2dog n GLU 24 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dog h PRO 25 N -1.16 0.00 0.00 3.49 0.13 -2.01 -2.79 132.00 129.65 2dog h PRO 25 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dog h PRO 25 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2dog h PRO 25 CO 0.34 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.66 2dog n VAL 26 N -2.31 1.05 0.29 1.56 3.14 -1.26 -2.13 118.33 118.66 2dog n VAL 26 Ca 0.02 0.37 0.15 0.00 -2.96 0.00 0.00 64.34 61.92 2dog n VAL 26 Cb 0.23 -1.28 0.70 0.00 -1.06 0.00 0.00 33.84 32.43 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 -1.83 -1.64 116.25 117.36 2dog h VAL 27 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2dog h VAL 27 Cb 0.22 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 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 -2.57 0.00 -0.14 3.16 4.77 -0.91 -2.11 117.00 119.20 2dog n LEU 28 Ca -0.00 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 2dog n LEU 28 Cb 0.16 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2dog n LEU 28 CO 0.18 -0.16 0.12 1.41 -1.33 0.00 0.00 177.39 177.61 2dog n HIS 29 N -1.40 0.00 -1.66 -1.77 8.25 -0.62 -5.02 115.22 113.00 2dog n HIS 29 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2dog n HIS 29 Cb 0.17 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.94 2.10 0.00 2.41 1.43 -0.90 -4.99 118.68 116.80 2dog s LEU 30 Ca 0.06 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2dog s LEU 30 Cb 0.08 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2dog s LEU 30 CO 0.30 -2.97 0.00 -0.62 0.23 0.00 0.00 176.35 173.30 2dog n GLU 31 N -3.97 0.00 -4.69 1.70 1.02 -1.26 -5.07 120.64 108.37 2dog n GLU 31 Ca 0.13 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.96 2dog n GLU 31 Cb 0.60 -0.56 -0.08 0.00 -0.02 0.00 0.00 31.44 31.38 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2dog s ARG 32 N -1.64 2.10 0.02 3.49 1.70 -1.26 -1.89 118.95 121.47 2dog s ARG 32 Ca 0.00 -2.31 -0.11 0.00 -0.47 0.00 0.00 55.73 52.84 2dog s ARG 32 Cb 0.00 -1.37 0.01 0.00 -0.57 0.00 0.00 34.95 33.03 2dog s ARG 32 CO 0.00 -0.33 0.23 0.14 -1.08 0.00 0.00 175.30 174.26 2dog s VAL 33 N -2.93 0.09 -0.24 4.99 -7.23 0.25 -4.78 120.40 110.55 2dog s VAL 33 Ca 0.14 -0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 2dog s VAL 33 Cb 0.03 -0.76 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 2dog s VAL 33 CO 0.07 -0.40 0.00 -0.47 -0.31 0.00 0.00 175.10 174.00 2dog s TYR 34 N -2.06 3.02 -0.79 2.82 5.04 -0.94 0.70 117.35 125.14 2dog s TYR 34 Ca -0.09 -0.78 -0.21 0.00 -2.44 0.00 0.00 57.07 53.55 2dog s TYR 34 Cb -0.03 -2.16 0.09 0.00 0.35 0.00 0.00 41.96 40.21 2dog s TYR 34 CO -0.01 -0.49 1.08 0.08 -1.34 0.00 0.00 175.55 174.87 2dog s VAL 35 N 1.52 4.41 -0.51 3.14 1.01 -0.65 -1.32 120.40 128.01 2dog s VAL 35 Ca 0.06 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 2dog s VAL 35 Cb -0.15 -4.76 -0.07 0.00 0.00 0.00 0.00 36.38 31.40 2dog s VAL 35 CO -0.01 -1.53 2.40 -0.70 0.00 0.00 0.00 175.10 175.26 2dog s GLU 36 N 3.72 2.08 0.00 2.72 2.56 -0.61 -2.11 118.70 127.06 2dog s GLU 36 Ca 0.28 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.61 2dog s GLU 36 Cb -0.11 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.43 2dog s GLU 36 CO 0.02 -3.32 0.00 0.41 -0.56 0.00 0.00 175.26 171.80 2dog n GLY 37 N 6.03 4.18 0.09 -1.50 0.00 -1.26 -4.13 105.19 108.60 2dog n GLY 37 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.90 -5.16 115.22 115.25 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 3.65 0.97 3.71 -1.41 0.00 -1.18 -5.04 105.19 105.88 2dog n GLY 39 Ca 0.00 -1.22 -0.42 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 -2.55 3.56 0.44 1.61 0.52 -1.26 -1.63 118.94 119.62 2dog s TRP 40 Ca 0.16 1.56 0.07 0.00 0.02 0.00 0.00 56.10 57.91 2dog s TRP 40 Cb -0.04 -3.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 2dog s TRP 40 CO 0.10 -0.40 0.22 1.03 0.02 0.00 0.00 176.95 177.92 2dog s ARG 41 N 1.26 2.26 0.22 4.98 1.81 0.22 -4.88 118.95 124.82 2dog s ARG 41 Ca 0.53 -1.88 0.10 0.00 -1.72 0.00 0.00 55.73 52.76 2dog s ARG 41 Cb -0.23 -2.00 -0.05 0.00 -0.45 0.00 0.00 34.95 32.23 2dog s ARG 41 CO 0.26 -0.22 -0.20 0.00 -0.68 0.00 0.00 175.30 174.46 2dog s ALA 42 N -2.64 2.41 -0.14 2.13 0.00 -1.26 -0.58 121.76 121.68 2dog s ALA 42 Ca 0.38 -1.69 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 2dog s ALA 42 Cb 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2dog s ALA 42 CO 0.21 0.28 0.28 0.42 0.00 0.00 0.00 175.76 176.95 2dog s ILE 43 N -2.25 5.30 -0.14 0.00 1.01 -0.79 -1.43 121.20 122.90 2dog s ILE 43 Ca 0.23 0.52 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 2dog s ILE 43 Cb -0.05 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 2dog s ILE 43 CO 0.10 0.43 -0.13 -0.62 0.00 0.00 0.00 174.94 174.73 2dog n GLU 44 N 3.24 0.33 -3.63 2.79 -0.58 -0.54 -4.88 120.64 117.37 2dog n GLU 44 Ca -0.13 0.09 -0.03 0.00 -0.42 0.00 0.00 57.16 56.66 2dog n GLU 44 Cb 0.52 -1.22 -0.05 0.00 -0.57 0.00 0.00 31.44 30.12 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 -5.50 -1.01 0.05 1.62 1.01 -1.21 -5.03 116.67 106.59 2dog s ASP 45 Ca -0.19 1.49 -0.02 0.00 0.71 0.00 0.00 52.55 54.54 2dog s ASP 45 Cb 0.05 1.85 -0.03 0.00 1.01 0.00 0.00 42.92 45.81 2dog s ASP 45 CO 0.30 -0.22 0.02 -1.48 0.21 0.00 0.00 175.17 174.00 2dog s LEU 46 N 2.29 2.22 -0.26 1.23 0.05 -1.26 -0.84 118.68 122.11 2dog s LEU 46 Ca -0.08 -0.83 -0.26 0.00 0.05 0.00 0.00 54.13 53.02 2dog s LEU 46 Cb -0.08 0.35 0.13 0.00 -2.05 0.00 0.00 46.19 44.53 2dog s LEU 46 CO -0.19 -0.57 1.05 -0.72 -0.55 0.00 0.00 176.35 175.37 2dog s TYR 47 N -3.42 -0.44 -0.62 3.48 -0.85 -1.16 -5.02 117.35 109.34 2dog s TYR 47 Ca 0.02 1.02 -0.28 0.00 -0.52 0.00 0.00 57.07 57.32 2dog s TYR 47 Cb 0.04 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.78 2dog s TYR 47 CO -0.08 -0.24 1.36 -0.98 -1.52 0.00 0.00 175.55 174.09 2dog s ARG 48 N 0.01 3.28 -0.50 -3.49 1.70 -1.26 -2.15 118.95 116.53 2dog s ARG 48 Ca 0.03 0.23 -0.24 0.00 -0.47 0.00 0.00 55.73 55.27 2dog s ARG 48 Cb -0.04 -4.13 0.03 0.00 -0.57 0.00 0.00 34.95 30.24 2dog s ARG 48 CO -0.05 -1.99 0.90 0.08 -1.08 0.00 0.00 175.30 173.16 2dog s VAL 49 N 5.91 4.47 0.00 4.99 1.01 0.27 -4.85 120.40 132.21 2dog s VAL 49 Ca 0.46 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2dog s VAL 49 Cb -0.09 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2dog s VAL 49 CO 0.22 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.98 2dog n GLY 50 N 5.04 1.03 1.25 4.51 0.00 -1.26 -0.73 105.19 115.02 2dog n GLY 50 Ca 0.03 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 2.19 -4.06 1.61 1.02 -1.26 -5.00 120.64 115.14 2dog n GLU 51 Ca 0.00 -3.09 -0.13 0.00 -0.02 0.00 0.00 57.16 53.92 2dog n GLU 51 Cb 0.00 -1.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 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 -3.15 1.86 0.00 3.49 2.02 0.09 -5.16 118.70 117.85 2dog s GLU 52 Ca 0.46 -1.66 0.03 0.00 0.02 0.00 0.00 54.97 53.82 2dog s GLU 52 Cb 0.40 0.45 -0.01 0.00 0.10 0.00 0.00 34.13 35.07 2dog s GLU 52 CO 0.03 -0.78 -0.10 -0.51 0.02 0.00 0.00 175.26 173.93 2dog s LEU 53 N -3.19 2.05 -0.28 1.80 1.43 -1.24 0.95 118.68 120.19 2dog s LEU 53 Ca 0.29 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2dog s LEU 53 Cb -0.00 -0.49 0.08 0.00 0.03 0.00 0.00 46.19 45.80 2dog s LEU 53 CO 0.18 0.09 0.01 -0.69 0.23 0.00 0.00 176.35 176.17 2dog s VAL 54 N -0.37 1.62 -0.11 -1.59 1.01 -0.92 0.30 120.40 120.36 2dog s VAL 54 Ca 0.03 -1.61 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 2dog s VAL 54 Cb -0.05 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2dog s VAL 54 CO -0.00 -0.38 0.33 -0.69 0.00 0.00 0.00 175.10 174.36 2dog s VAL 55 N 1.29 5.23 -0.46 2.92 1.01 0.10 -2.97 120.40 127.53 2dog s VAL 55 Ca 0.03 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 2dog s VAL 55 Cb -0.19 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.65 2dog s VAL 55 CO -0.11 0.46 0.33 -1.00 0.00 0.00 0.00 175.10 174.78 2dog s HIS 56 N -0.09 3.39 0.67 5.22 3.76 -0.02 -1.21 115.29 127.02 2dog s HIS 56 Ca 0.20 -1.75 -0.15 0.00 -0.15 0.00 0.00 55.06 53.21 2dog s HIS 56 Cb -0.14 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.17 2dog s HIS 56 CO 0.07 -0.96 1.11 -0.51 -0.85 0.00 0.00 174.74 173.60 2dog s LEU 57 N 1.39 3.36 0.03 0.89 1.43 -1.26 -1.47 118.68 123.05 2dog s LEU 57 Ca 0.05 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 2dog s LEU 57 Cb -0.26 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.36 2dog s LEU 57 CO 0.00 -1.65 1.33 0.00 0.23 0.00 0.00 176.35 176.26 2dog s ALA 58 N -2.40 3.53 0.00 4.21 0.00 -0.52 -3.24 121.76 123.35 2dog s ALA 58 Ca 0.66 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2dog s ALA 58 Cb -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dog s ALA 58 CO 0.43 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2dog n GLY 59 N 3.48 3.07 3.56 0.00 0.00 -1.26 -4.82 105.19 109.22 2dog n GLY 59 Ca 0.12 -0.88 -0.39 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 -0.47 3.40 0.00 1.61 1.01 -1.20 -4.69 120.40 120.06 2dog s VAL 60 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2dog s VAL 60 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2dog s VAL 60 CO 0.00 -0.89 0.00 0.35 0.00 0.00 0.00 175.10 174.56 2dog n THR 61 N 7.20 0.00 -4.36 3.92 -2.24 -1.26 -4.57 114.28 112.96 2dog n THR 61 Ca 0.20 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 2dog n THR 61 Cb 0.51 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.00 3.05 0.13 3.42 1.47 -1.26 -3.17 116.67 119.30 2dog s ASP 62 Ca 0.00 -0.79 -0.31 0.00 1.18 0.00 0.00 52.55 52.63 2dog s ASP 62 Cb 0.00 -0.20 -0.10 0.00 -0.34 0.00 0.00 42.92 42.28 2dog s ASP 62 CO 0.00 0.09 1.51 -0.09 0.68 0.00 0.00 175.17 177.37 2dog h ARG 63 N 3.62 -0.33 -0.84 2.11 2.43 -1.88 -1.96 114.38 117.55 2dog h ARG 63 Ca -0.47 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.80 2dog h ARG 63 Cb 1.19 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.71 2dog h ARG 63 CO 0.44 -0.22 -0.49 2.41 -1.51 0.00 0.00 179.97 180.60 2dog n THR 64 N -5.20 -0.57 -0.32 0.20 -1.04 -1.26 0.84 114.28 106.94 2dog n THR 64 Ca -0.03 2.19 0.15 0.00 -2.04 0.00 0.00 64.05 64.32 2dog n THR 64 Cb 0.31 -2.72 0.34 0.00 -1.82 0.00 0.00 70.33 66.44 2dog n THR 64 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2dog h LEU 65 N 0.00 0.44 0.52 -4.42 3.38 -1.80 -1.00 115.31 112.44 2dog h LEU 65 Ca 0.13 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2dog h LEU 65 Cb 0.34 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dog h LEU 65 CO -0.79 0.02 -0.25 0.00 0.09 0.00 0.00 178.44 177.51 2dog h ALA 66 N 1.72 -0.76 -1.55 1.53 0.00 0.11 -3.11 119.26 117.19 2dog h ALA 66 Ca 0.59 -0.15 0.46 0.00 0.00 0.00 0.00 54.91 55.81 2dog h ALA 66 Cb 1.14 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 2dog h ALA 66 CO -0.52 -0.71 1.10 0.93 0.00 0.00 0.00 179.25 180.05 2dog h GLU 67 N -1.08 0.03 -0.64 0.00 5.08 0.19 0.95 114.58 119.11 2dog h GLU 67 Ca -0.07 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2dog h GLU 67 Cb 0.54 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2dog h GLU 67 CO 0.12 0.02 0.17 0.00 -1.00 0.00 0.00 179.01 178.32 2dog h ALA 68 N 1.27 0.85 -0.61 3.43 0.00 -1.14 -2.50 119.26 120.56 2dog h ALA 68 Ca 0.78 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 55.24 2dog h ALA 68 Cb 2.95 -0.25 -0.13 0.00 0.00 0.00 0.00 17.79 20.36 2dog h ALA 68 CO -0.09 0.55 0.28 1.28 0.00 0.00 0.00 179.25 181.27 2dog n LEU 69 N -4.33 5.29 -4.72 0.00 4.77 0.32 -4.90 117.00 113.44 2dog n LEU 69 Ca 0.04 -2.76 -0.35 0.00 -0.03 0.00 0.00 56.01 52.91 2dog n LEU 69 Cb 0.24 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2dog n LEU 69 CO 0.41 0.75 -0.19 -0.69 -1.33 0.00 0.00 177.39 176.34 2dog s VAL 70 N -2.42 5.28 0.00 4.08 1.01 -0.94 -4.36 120.40 123.05 2dog s VAL 70 Ca 0.42 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2dog s VAL 70 Cb 0.34 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2dog s VAL 70 CO 0.10 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2dog n GLY 71 N 3.45 2.40 3.67 4.51 0.00 -1.24 -5.02 105.19 112.96 2dog n GLY 71 Ca -0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 1.91 -0.08 0.99 1.43 -1.26 -4.79 118.68 116.87 2dog s LEU 72 Ca 0.00 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.53 2dog s LEU 72 Cb 0.00 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2dog s LEU 72 CO 0.00 -3.04 0.08 -0.13 0.23 0.00 0.00 176.35 173.49 2dog s ARG 73 N -4.85 3.21 -0.10 1.70 0.52 -1.26 -3.03 118.95 115.13 2dog s ARG 73 Ca 0.65 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 55.41 2dog s ARG 73 Cb -0.20 -2.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 2dog s ARG 73 CO 0.58 0.72 0.36 0.08 0.02 0.00 0.00 175.30 177.06 2dog s VAL 74 N -1.02 5.22 0.09 3.52 1.01 -0.73 -1.58 120.40 126.90 2dog s VAL 74 Ca 0.16 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.91 2dog s VAL 74 Cb -0.12 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2dog s VAL 74 CO 0.06 0.44 -0.10 -0.31 0.00 0.00 0.00 175.10 175.19 2dog s TYR 75 N -0.02 2.76 0.24 5.22 1.51 -0.43 -3.44 117.35 123.18 2dog s TYR 75 Ca 0.21 -0.14 0.11 0.00 -1.01 0.00 0.00 57.07 56.24 2dog s TYR 75 Cb -0.14 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 2dog s TYR 75 CO 0.08 0.41 -0.18 0.00 -1.11 0.00 0.00 175.55 174.75 2dog s ALA 76 N -1.17 2.74 -0.20 3.71 0.00 -0.35 -2.22 121.76 124.27 2dog s ALA 76 Ca 0.21 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 2dog s ALA 76 Cb -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2dog s ALA 76 CO 0.13 0.35 -0.11 -2.00 0.00 0.00 0.00 175.76 174.13 2dog s GLU 77 N -3.15 3.21 0.57 0.00 2.12 -1.26 -1.83 118.70 118.35 2dog s GLU 77 Ca 0.26 -0.72 0.26 0.00 0.36 0.00 0.00 54.97 55.14 2dog s GLU 77 Cb -0.07 -2.81 1.53 0.00 0.26 0.00 0.00 34.13 33.04 2dog s GLU 77 CO 0.14 -0.19 2.05 0.28 -0.54 0.00 0.00 175.26 177.00 2dog h VAL 78 N 5.80 0.59 -0.25 3.70 2.07 -1.95 -1.42 116.25 124.78 2dog h VAL 78 Ca -0.43 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2dog h VAL 78 Cb 1.15 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2dog h VAL 78 CO 0.62 0.00 0.68 0.00 0.02 0.00 0.00 177.57 178.88 2dog h ALA 79 N 1.75 1.94 0.00 1.67 0.00 -1.94 0.54 119.26 123.21 2dog h ALA 79 Ca 0.14 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.65 2dog h ALA 79 Cb 0.66 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2dog h ALA 79 CO -0.00 -0.81 -2.43 -0.25 0.00 0.00 0.00 179.25 175.76 2dog n ASP 80 N -3.01 2.03 -4.32 0.00 8.00 -0.54 -5.00 116.55 113.71 2dog n ASP 80 Ca 0.05 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 2dog n ASP 80 Cb 0.78 -0.46 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dog n LEU 81 N -3.40 -2.43 -4.67 0.64 4.77 0.18 -4.92 117.00 107.16 2dog n LEU 81 Ca -0.46 0.85 -0.29 0.00 -0.03 0.00 0.00 56.01 56.09 2dog n LEU 81 Cb 0.95 -0.91 0.18 0.00 -2.33 0.00 0.00 43.42 41.31 2dog n LEU 81 CO 0.21 -3.95 0.64 -2.16 -1.33 0.00 0.00 177.39 170.80 2dog s PRO 82 N -1.06 0.41 0.70 3.23 0.04 -1.26 -5.01 135.00 132.05 2dog s PRO 82 Ca 0.60 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 2dog s PRO 82 Cb -0.66 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.16 2dog s PRO 82 CO 0.62 -2.75 1.10 -1.25 0.04 0.00 0.00 177.00 174.76 2dog s PRO 83 N -4.96 2.61 -0.34 0.56 0.04 -1.26 -4.93 135.00 126.73 2dog s PRO 83 Ca 0.65 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2dog s PRO 83 Cb -0.19 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.48 2dog s PRO 83 CO 0.58 -1.38 2.65 1.28 0.04 0.00 0.00 177.00 180.17 2dog n LEU 84 N -2.80 6.28 -0.81 -3.56 7.99 -1.26 -5.30 117.00 117.53 2dog n LEU 84 Ca 0.10 -3.69 0.13 0.00 -0.01 0.00 0.00 56.01 52.54 2dog n LEU 84 Cb 0.52 -1.21 0.23 0.00 -0.11 0.00 0.00 43.42 42.86 2dog n LEU 84 CO 0.50 1.57 0.70 -0.62 -1.51 0.00 0.00 177.39 178.03