#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 3.17 0.32 3.17 0.52 -1.26 -5.04 118.95 119.83 2dog s ARG 2 Ca 0.00 -0.72 0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2dog s ARG 2 Cb 0.00 -4.06 -0.06 0.00 0.52 0.00 0.00 34.95 31.35 2dog s ARG 2 CO 0.00 -1.18 -0.11 -0.51 0.02 0.00 0.00 175.30 173.51 2dog s LEU 3 N 2.76 2.73 -0.17 2.53 1.43 -1.26 -3.40 118.68 123.30 2dog s LEU 3 Ca 0.18 -1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.03 2dog s LEU 3 Cb -0.17 -1.09 0.05 0.00 0.03 0.00 0.00 46.19 45.01 2dog s LEU 3 CO 0.14 -0.13 0.43 0.68 0.23 0.00 0.00 176.35 177.70 2dog s VAL 4 N -2.56 -0.01 -0.14 -1.59 -7.23 -0.38 -4.92 120.40 103.57 2dog s VAL 4 Ca 0.32 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.22 2dog s VAL 4 Cb -0.00 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2dog s VAL 4 CO 0.16 0.01 1.25 -0.70 -0.31 0.00 0.00 175.10 175.52 2dog s GLU 5 N 0.63 4.26 -0.18 4.82 2.12 -1.26 -0.28 118.70 128.80 2dog s GLU 5 Ca -0.03 1.67 0.05 0.00 0.36 0.00 0.00 54.97 57.01 2dog s GLU 5 Cb -0.05 -3.72 -0.14 0.00 0.26 0.00 0.00 34.13 30.48 2dog s GLU 5 CO -0.04 -0.66 -0.11 0.44 -0.54 0.00 0.00 175.26 174.36 2dog n ILE 6 N 5.22 1.08 -3.90 -3.70 -5.35 -1.21 -4.97 119.36 106.53 2dog n ILE 6 Ca 0.13 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 62.04 2dog n ILE 6 Cb 0.45 -1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 37.32 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 -5.56 0.33 0.03 3.28 0.00 -1.25 -1.77 107.32 102.37 2dog s GLY 7 Ca -0.20 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 43.85 2dog s GLY 7 CO 0.49 -0.36 -0.06 -1.60 0.00 0.00 0.00 173.10 171.57 2dog s ARG 8 N -3.42 0.44 0.29 2.90 3.52 -0.44 -1.61 118.95 120.64 2dog s ARG 8 Ca 0.17 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.88 2dog s ARG 8 Cb -0.04 -0.22 -0.10 0.00 -1.56 0.00 0.00 34.95 33.03 2dog s ARG 8 CO 0.10 0.04 1.14 -0.06 -0.81 0.00 0.00 175.30 175.71 2dog s PHE 9 N -1.11 3.46 0.00 5.12 0.08 -1.11 -1.80 117.98 122.62 2dog s PHE 9 Ca -0.09 1.64 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2dog s PHE 9 Cb -0.08 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 2dog s PHE 9 CO 0.00 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 2dog n GLY 10 N 1.09 -0.03 3.42 4.36 0.00 0.92 -3.56 105.19 111.39 2dog n GLY 10 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.50 2.47 -0.27 4.61 0.00 -1.26 -4.48 121.76 119.32 2dog s ALA 11 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 2dog s ALA 11 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2dog s ALA 11 CO 0.00 0.56 1.64 -1.25 0.00 0.00 0.00 175.76 176.71 2dog s PRO 12 N -1.91 3.64 1.05 0.00 0.04 -1.26 -1.57 135.00 135.00 2dog s PRO 12 Ca 0.15 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 2dog s PRO 12 Cb -0.10 -4.08 0.17 0.00 0.04 0.00 0.00 34.50 30.53 2dog s PRO 12 CO 0.07 -1.48 0.29 0.98 0.04 0.00 0.00 177.00 176.89 2dog n TYR 13 N 9.01 -2.31 -0.93 0.56 9.36 0.47 -4.86 117.16 128.46 2dog n TYR 13 Ca 0.20 -0.04 -0.35 0.00 3.32 0.00 0.00 57.90 61.03 2dog n TYR 13 Cb 0.46 -1.41 0.07 0.00 -0.63 0.00 0.00 39.34 37.83 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 -4.49 -4.68 -0.08 2.98 0.00 -1.26 -4.43 120.51 108.55 2dog n ALA 14 Ca 0.05 -0.75 0.24 0.00 0.00 0.00 0.00 53.44 52.98 2dog n ALA 14 Cb 0.41 -1.31 0.51 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.20 0.00 -1.13 0.00 3.38 -1.94 -0.04 115.31 114.37 2dog h LEU 15 Ca -0.44 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.79 2dog h LEU 15 Cb 1.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 2dog h LEU 15 CO 0.27 0.00 1.10 0.11 0.09 0.00 0.00 178.44 180.01 2dog h LYS 16 N 0.00 0.00 0.00 1.13 6.56 -1.83 -3.35 116.57 119.09 2dog h LYS 16 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 2dog h LYS 16 Cb 2.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.96 2dog h LYS 16 CO -0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2dog n GLY 17 N -1.67 1.11 3.85 3.86 0.00 -0.03 -4.51 105.19 107.79 2dog n GLY 17 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 2.09 -0.12 -0.02 0.00 -1.22 -4.38 107.32 101.67 2dog s GLY 18 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.83 2dog s GLY 18 CO 0.00 0.34 -0.14 1.08 0.00 0.00 0.00 173.10 174.38 2dog s LEU 19 N -3.83 1.68 -0.51 0.66 1.43 -0.63 0.18 118.68 117.65 2dog s LEU 19 Ca 0.57 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.96 2dog s LEU 19 Cb -0.10 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2dog s LEU 19 CO 0.28 -0.01 1.90 -0.13 0.23 0.00 0.00 176.35 178.62 2dog s ARG 20 N 1.16 2.79 -0.20 1.70 0.52 -0.61 0.34 118.95 124.65 2dog s ARG 20 Ca -0.03 0.96 -0.07 0.00 -0.52 0.00 0.00 55.73 56.08 2dog s ARG 20 Cb -0.14 -4.35 -0.03 0.00 0.52 0.00 0.00 34.95 30.94 2dog s ARG 20 CO -0.04 -2.52 0.05 0.12 0.02 0.00 0.00 175.30 172.92 2dog s PHE 21 N 8.75 3.14 -0.47 -0.53 5.36 0.20 -0.05 117.98 134.38 2dog s PHE 21 Ca 0.75 -0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 56.52 2dog s PHE 21 Cb -0.16 -2.11 0.12 0.00 -0.34 0.00 0.00 43.02 40.53 2dog s PHE 21 CO 0.25 -0.07 0.27 0.50 -1.46 0.00 0.00 175.22 174.71 2dog s ARG 22 N 0.83 2.13 0.26 10.12 6.06 -0.74 -3.55 118.95 134.06 2dog s ARG 22 Ca 0.03 -2.06 0.00 0.00 -2.50 0.00 0.00 55.73 51.20 2dog s ARG 22 Cb -0.14 -3.60 -0.03 0.00 0.06 0.00 0.00 34.95 31.25 2dog s ARG 22 CO 0.02 -1.10 0.25 0.20 -2.50 0.00 0.00 175.30 172.18 2dog s GLY 23 N 1.38 1.64 0.84 8.12 0.00 -1.26 -1.33 107.32 116.71 2dog s GLY 23 Ca 0.11 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.96 2dog s GLY 23 CO -0.04 -1.30 0.05 1.18 0.00 0.00 0.00 173.10 173.00 2dog n GLU 24 N -0.43 0.01 0.20 2.90 4.71 -0.73 -4.84 120.64 122.45 2dog n GLU 24 Ca 0.03 0.03 0.14 0.00 -0.01 0.00 0.00 57.16 57.36 2dog n GLU 24 Cb 0.64 -1.52 0.59 0.00 -1.01 0.00 0.00 31.44 30.14 2dog n GLU 24 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2dog h PRO 25 N -0.86 0.00 0.00 3.49 0.13 -2.01 -2.77 132.00 129.98 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 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2dog h PRO 25 CO 0.35 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.67 2dog n VAL 26 N -2.61 1.05 0.29 1.56 3.14 -1.26 -2.14 118.33 118.36 2dog n VAL 26 Ca 0.01 0.38 0.15 0.00 -2.96 0.00 0.00 64.34 61.93 2dog n VAL 26 Cb 0.26 -1.30 0.74 0.00 -1.06 0.00 0.00 33.84 32.48 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 -1.47 116.25 117.54 2dog h VAL 27 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 2dog h VAL 27 Cb 0.21 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 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 -2.63 0.00 -0.31 3.16 4.77 -0.91 -2.10 117.00 118.97 2dog n LEU 28 Ca -0.01 0.19 0.03 0.00 -0.03 0.00 0.00 56.01 56.20 2dog n LEU 28 Cb 0.15 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2dog n LEU 28 CO 0.18 -0.07 0.44 1.41 -1.33 0.00 0.00 177.39 178.02 2dog n HIS 29 N -1.19 0.10 -2.62 -1.77 8.25 -0.55 -5.03 115.22 112.41 2dog n HIS 29 Ca 0.12 -0.18 -0.22 0.00 -0.26 0.00 0.00 57.72 57.17 2dog n HIS 29 Cb 0.13 -0.01 0.07 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 -0.72 3.12 0.00 2.41 1.43 -0.89 -4.99 118.68 119.03 2dog s LEU 30 Ca 0.10 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2dog s LEU 30 Cb 0.06 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2dog s LEU 30 CO 0.09 -1.49 0.00 -0.62 0.23 0.00 0.00 176.35 174.56 2dog n GLU 31 N -2.58 0.00 -4.53 1.70 1.02 -1.26 -5.06 120.64 109.93 2dog n GLU 31 Ca 0.11 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.99 2dog n GLU 31 Cb 0.60 -0.67 -0.10 0.00 -0.02 0.00 0.00 31.44 31.25 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 -1.59 1.94 0.26 3.49 1.70 -1.26 -1.73 118.95 121.76 2dog s ARG 32 Ca 0.00 -2.00 0.03 0.00 -0.47 0.00 0.00 55.73 53.29 2dog s ARG 32 Cb 0.00 -1.71 -0.04 0.00 -0.57 0.00 0.00 34.95 32.63 2dog s ARG 32 CO 0.00 0.03 0.19 0.14 -1.08 0.00 0.00 175.30 174.58 2dog s VAL 33 N -2.65 0.02 -0.14 4.99 -7.23 0.14 -4.82 120.40 110.72 2dog s VAL 33 Ca 0.35 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2dog s VAL 33 Cb 0.06 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2dog s VAL 33 CO 0.18 0.00 -0.05 -0.47 -0.31 0.00 0.00 175.10 174.45 2dog s TYR 34 N -3.83 1.47 -0.80 2.82 5.04 -1.10 -1.58 117.35 119.39 2dog s TYR 34 Ca 0.40 -0.85 -0.22 0.00 -2.44 0.00 0.00 57.07 53.96 2dog s TYR 34 Cb 0.05 -1.22 0.08 0.00 0.35 0.00 0.00 41.96 41.22 2dog s TYR 34 CO 0.19 -0.55 1.12 0.08 -1.34 0.00 0.00 175.55 175.05 2dog s VAL 35 N 1.71 4.31 -0.51 3.14 1.01 -0.60 -1.41 120.40 128.06 2dog s VAL 35 Ca 0.03 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 2dog s VAL 35 Cb -0.14 -4.79 -0.07 0.00 0.00 0.00 0.00 36.38 31.38 2dog s VAL 35 CO -0.08 -1.59 2.39 -0.70 0.00 0.00 0.00 175.10 175.13 2dog s GLU 36 N 3.98 2.09 0.00 2.72 2.56 -0.88 -2.14 118.70 127.03 2dog s GLU 36 Ca 0.30 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.62 2dog s GLU 36 Cb -0.10 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.44 2dog s GLU 36 CO 0.02 -3.31 0.00 0.41 -0.56 0.00 0.00 175.26 171.82 2dog n GLY 37 N 6.02 4.22 0.15 -1.50 0.00 -1.26 -4.26 105.19 108.57 2dog n GLY 37 Ca 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.91 -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 3.58 0.97 3.67 -1.41 0.00 -1.18 -5.04 105.19 105.78 2dog n GLY 39 Ca 0.00 -1.23 -0.43 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 -2.42 3.43 0.25 1.61 0.52 -1.26 -1.56 118.94 119.51 2dog s TRP 40 Ca 0.16 1.53 0.09 0.00 0.02 0.00 0.00 56.10 57.90 2dog s TRP 40 Cb -0.04 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 2dog s TRP 40 CO 0.11 -0.34 0.04 1.03 0.02 0.00 0.00 176.95 177.80 2dog s ARG 41 N 2.57 2.44 0.24 4.98 1.81 -0.61 -4.89 118.95 125.49 2dog s ARG 41 Ca 0.46 -1.29 0.08 0.00 -1.72 0.00 0.00 55.73 53.26 2dog s ARG 41 Cb -0.17 -2.27 -0.04 0.00 -0.45 0.00 0.00 34.95 32.02 2dog s ARG 41 CO 0.12 0.39 0.09 0.00 -0.68 0.00 0.00 175.30 175.22 2dog s ALA 42 N -2.18 3.36 -0.10 2.13 0.00 -1.26 0.27 121.76 123.98 2dog s ALA 42 Ca 0.31 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 2dog s ALA 42 Cb -0.07 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2dog s ALA 42 CO 0.21 0.30 0.22 0.42 0.00 0.00 0.00 175.76 176.91 2dog s ILE 43 N -2.14 5.35 -0.09 0.00 1.01 -0.71 -0.83 121.20 123.79 2dog s ILE 43 Ca 0.31 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2dog s ILE 43 Cb -0.08 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 2dog s ILE 43 CO 0.22 0.57 -0.08 -0.62 0.00 0.00 0.00 174.94 175.03 2dog n GLU 44 N 2.21 0.23 -3.64 2.79 -0.58 -0.23 -4.84 120.64 116.59 2dog n GLU 44 Ca -0.17 0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.58 2dog n GLU 44 Cb 0.54 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.17 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 -4.95 -0.98 0.04 1.62 1.01 -1.22 -5.03 116.67 107.17 2dog s ASP 45 Ca -0.13 1.47 -0.06 0.00 0.71 0.00 0.00 52.55 54.55 2dog s ASP 45 Cb 0.03 1.70 -0.01 0.00 1.01 0.00 0.00 42.92 45.65 2dog s ASP 45 CO 0.21 -0.22 0.10 -1.48 0.21 0.00 0.00 175.17 173.99 2dog s LEU 46 N 2.08 1.80 -0.23 1.23 0.05 -1.26 -1.09 118.68 121.26 2dog s LEU 46 Ca -0.08 -0.54 -0.27 0.00 0.05 0.00 0.00 54.13 53.29 2dog s LEU 46 Cb -0.07 0.61 0.10 0.00 -2.05 0.00 0.00 46.19 44.78 2dog s LEU 46 CO -0.19 -0.52 0.88 -0.72 -0.55 0.00 0.00 176.35 175.26 2dog s TYR 47 N -2.65 -0.58 -0.76 3.48 -0.85 -1.18 -5.00 117.35 109.81 2dog s TYR 47 Ca -0.05 1.30 -0.26 0.00 -0.52 0.00 0.00 57.07 57.54 2dog s TYR 47 Cb -0.01 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.71 2dog s TYR 47 CO -0.05 -0.35 1.41 -0.98 -1.52 0.00 0.00 175.55 174.06 2dog s ARG 48 N -0.14 3.14 -0.52 -3.49 1.70 -1.26 -2.14 118.95 116.24 2dog s ARG 48 Ca -0.01 -0.23 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 2dog s ARG 48 Cb -0.04 -4.39 0.03 0.00 -0.57 0.00 0.00 34.95 29.98 2dog s ARG 48 CO -0.01 -2.28 1.19 0.08 -1.08 0.00 0.00 175.30 173.20 2dog s VAL 49 N 6.26 4.09 0.00 4.99 1.01 0.28 -4.79 120.40 132.25 2dog s VAL 49 Ca 0.42 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2dog s VAL 49 Cb -0.08 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.67 2dog s VAL 49 CO 0.12 -1.15 0.00 0.61 0.00 0.00 0.00 175.10 174.68 2dog n GLY 50 N 4.97 0.56 1.35 4.51 0.00 -1.26 -0.62 105.19 114.70 2dog n GLY 50 Ca 0.11 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.67 2dog n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dog n GLU 51 N 0.00 2.28 -3.94 1.61 2.13 -1.26 -5.02 120.64 116.45 2dog n GLU 51 Ca 0.00 -3.47 -0.11 0.00 0.66 0.00 0.00 57.16 54.24 2dog n GLU 51 Cb 0.00 -1.93 -0.01 0.00 0.27 0.00 0.00 31.44 29.77 2dog n GLU 51 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2dog s GLU 52 N -3.38 2.01 -0.01 5.31 2.02 0.21 -5.17 118.70 119.68 2dog s GLU 52 Ca 0.46 -1.50 0.03 0.00 0.02 0.00 0.00 54.97 53.98 2dog s GLU 52 Cb 0.41 0.54 -0.01 0.00 0.10 0.00 0.00 34.13 35.17 2dog s GLU 52 CO -0.01 -0.89 -0.09 -0.51 0.02 0.00 0.00 175.26 173.78 2dog s LEU 53 N -3.11 1.98 -0.30 1.80 1.43 -1.23 0.10 118.68 119.35 2dog s LEU 53 Ca 0.21 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2dog s LEU 53 Cb -0.03 -0.47 0.08 0.00 0.03 0.00 0.00 46.19 45.81 2dog s LEU 53 CO 0.14 0.10 0.01 -0.69 0.23 0.00 0.00 176.35 176.14 2dog s VAL 54 N -0.14 1.85 -0.11 -1.59 1.01 -0.91 0.61 120.40 121.12 2dog s VAL 54 Ca 0.02 -1.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.05 2dog s VAL 54 Cb -0.04 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2dog s VAL 54 CO -0.00 -0.39 0.38 -0.69 0.00 0.00 0.00 175.10 174.40 2dog s VAL 55 N 1.17 5.20 -0.45 2.92 1.01 0.15 -3.07 120.40 127.34 2dog s VAL 55 Ca 0.03 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 2dog s VAL 55 Cb -0.19 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.58 2dog s VAL 55 CO -0.10 0.41 0.30 -1.00 0.00 0.00 0.00 175.10 174.72 2dog s HIS 56 N 0.14 3.41 0.59 5.22 3.76 -0.25 -1.61 115.29 126.55 2dog s HIS 56 Ca 0.22 -1.81 -0.18 0.00 -0.15 0.00 0.00 55.06 53.14 2dog s HIS 56 Cb -0.15 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 2dog s HIS 56 CO 0.08 -0.94 1.12 -0.51 -0.85 0.00 0.00 174.74 173.64 2dog s LEU 57 N 1.36 3.60 -0.16 0.89 1.43 -1.26 -1.07 118.68 123.48 2dog s LEU 57 Ca 0.05 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 2dog s LEU 57 Cb -0.25 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.36 2dog s LEU 57 CO -0.00 -1.37 1.74 0.00 0.23 0.00 0.00 176.35 176.95 2dog s ALA 58 N -2.02 3.31 0.00 4.21 0.00 -0.01 -2.97 121.76 124.28 2dog s ALA 58 Ca 0.70 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2dog s ALA 58 Cb -0.22 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2dog s ALA 58 CO 0.33 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.60 2dog n GLY 59 N 4.68 3.36 3.55 0.00 0.00 -1.26 -4.82 105.19 110.70 2dog n GLY 59 Ca 0.20 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 3.08 0.00 1.61 1.01 -1.16 -4.66 120.40 120.28 2dog s VAL 60 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2dog s VAL 60 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2dog s VAL 60 CO 0.00 -0.20 0.27 0.35 0.00 0.00 0.00 175.10 175.52 2dog n THR 61 N 7.87 0.00 -4.30 3.92 -2.24 -1.26 -4.56 114.28 113.70 2dog n THR 61 Ca 0.34 -0.44 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 2dog n THR 61 Cb 0.54 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.34 2.57 0.24 3.42 1.47 -1.26 -3.43 116.67 119.35 2dog s ASP 62 Ca 0.00 -0.77 -0.04 0.00 1.18 0.00 0.00 52.55 52.91 2dog s ASP 62 Cb 0.00 -0.14 0.43 0.00 -0.34 0.00 0.00 42.92 42.87 2dog s ASP 62 CO 0.00 0.00 1.77 -0.09 0.68 0.00 0.00 175.17 177.53 2dog h ARG 63 N 3.67 0.57 0.07 2.11 2.43 -1.87 -2.34 114.38 119.02 2dog h ARG 63 Ca -0.44 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2dog h ARG 63 Cb 1.19 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2dog h ARG 63 CO 0.45 0.38 -0.15 1.15 -1.51 0.00 0.00 179.97 180.29 2dog h THR 64 N 0.59 0.00 -0.88 0.20 2.02 -1.96 0.18 112.91 113.06 2dog h THR 64 Ca 0.40 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.82 2dog h THR 64 Cb 0.51 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.77 2dog h THR 64 CO -0.33 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.66 2dog h LEU 65 N -0.24 -0.14 0.46 2.58 3.38 -1.94 0.07 115.31 119.47 2dog h LEU 65 Ca -0.01 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2dog h LEU 65 Cb 0.23 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2dog h LEU 65 CO -0.06 -0.21 -0.22 0.00 0.09 0.00 0.00 178.44 178.04 2dog h ALA 66 N 1.81 -0.61 -1.05 1.53 0.00 -0.93 -2.53 119.26 117.48 2dog h ALA 66 Ca 0.55 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.60 2dog h ALA 66 Cb 1.11 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 2dog h ALA 66 CO -0.71 -0.84 0.66 0.93 0.00 0.00 0.00 179.25 179.29 2dog h GLU 67 N -0.61 0.41 -0.38 0.00 5.08 0.13 0.57 114.58 119.76 2dog h GLU 67 Ca -0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2dog h GLU 67 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2dog h GLU 67 CO 0.10 0.27 0.11 0.00 -1.00 0.00 0.00 179.01 178.49 2dog h ALA 68 N 1.65 1.47 -0.58 3.43 0.00 -0.91 -1.73 119.26 122.60 2dog h ALA 68 Ca 0.62 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2dog h ALA 68 Cb 1.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2dog h ALA 68 CO -0.35 0.39 0.04 1.28 0.00 0.00 0.00 179.25 180.61 2dog n LEU 69 N -4.35 5.63 -4.71 0.00 4.77 0.19 -4.92 117.00 113.61 2dog n LEU 69 Ca 0.02 -2.87 -0.36 0.00 -0.03 0.00 0.00 56.01 52.78 2dog n LEU 69 Cb 0.18 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 2dog n LEU 69 CO 0.38 0.64 -0.15 -0.69 -1.33 0.00 0.00 177.39 176.23 2dog s VAL 70 N -2.72 5.38 0.00 4.08 1.01 -0.65 -4.30 120.40 123.20 2dog s VAL 70 Ca 0.52 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2dog s VAL 70 Cb 0.40 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2dog s VAL 70 CO 0.15 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2dog n GLY 71 N 3.68 1.82 3.75 4.51 0.00 -1.23 -5.01 105.19 112.70 2dog n GLY 71 Ca -0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 2.56 -0.14 0.99 1.43 -1.26 -4.77 118.68 117.49 2dog s LEU 72 Ca 0.00 1.57 -0.06 0.00 -1.03 0.00 0.00 54.13 54.61 2dog s LEU 72 Cb 0.00 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 2dog s LEU 72 CO 0.00 -2.34 0.06 -0.13 0.23 0.00 0.00 176.35 174.18 2dog s ARG 73 N -4.96 3.54 0.07 1.70 0.52 -1.26 -2.75 118.95 115.81 2dog s ARG 73 Ca 0.62 -0.31 -0.21 0.00 -0.52 0.00 0.00 55.73 55.31 2dog s ARG 73 Cb -0.17 -3.08 -0.06 0.00 0.52 0.00 0.00 34.95 32.15 2dog s ARG 73 CO 0.56 0.53 0.63 0.08 0.02 0.00 0.00 175.30 177.12 2dog s VAL 74 N -0.37 4.71 0.10 3.52 1.01 -0.63 -2.07 120.40 126.68 2dog s VAL 74 Ca 0.09 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.49 2dog s VAL 74 Cb -0.12 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2dog s VAL 74 CO 0.02 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.20 2dog s TYR 75 N -0.81 2.72 0.21 5.22 1.51 -0.50 -3.32 117.35 122.38 2dog s TYR 75 Ca 0.31 -0.17 0.10 0.00 -1.01 0.00 0.00 57.07 56.31 2dog s TYR 75 Cb -0.20 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 2dog s TYR 75 CO 0.20 0.42 -0.13 0.00 -1.11 0.00 0.00 175.55 174.94 2dog s ALA 76 N -1.21 2.86 -0.24 3.71 0.00 0.62 -2.70 121.76 124.81 2dog s ALA 76 Ca 0.21 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.55 2dog s ALA 76 Cb -0.11 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.44 2dog s ALA 76 CO 0.13 0.40 -0.07 -2.00 0.00 0.00 0.00 175.76 174.22 2dog s GLU 77 N -3.03 2.97 0.53 0.00 2.12 -1.26 -1.25 118.70 118.79 2dog s GLU 77 Ca 0.26 -0.89 0.26 0.00 0.36 0.00 0.00 54.97 54.97 2dog s GLU 77 Cb -0.08 -2.96 1.42 0.00 0.26 0.00 0.00 34.13 32.77 2dog s GLU 77 CO 0.15 -0.34 1.98 0.28 -0.54 0.00 0.00 175.26 176.79 2dog h VAL 78 N 6.02 0.69 -0.24 3.70 2.07 -1.93 -0.10 116.25 126.47 2dog h VAL 78 Ca -0.36 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2dog h VAL 78 Cb 1.12 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2dog h VAL 78 CO 0.59 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.70 2dog h ALA 79 N 1.70 1.83 0.00 1.67 0.00 -1.94 0.38 119.26 122.90 2dog h ALA 79 Ca 0.27 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.82 2dog h ALA 79 Cb 1.11 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2dog h ALA 79 CO -0.00 -0.65 -2.35 -3.47 0.00 0.00 0.00 179.25 172.78 2dog n ASP 80 N -3.16 1.26 -4.68 0.00 -0.08 -0.06 -4.98 116.55 104.85 2dog n ASP 80 Ca 0.04 -0.07 -0.40 0.00 -1.51 0.00 0.00 54.79 52.84 2dog n ASP 80 Cb 0.64 0.25 0.02 0.00 2.34 0.00 0.00 41.12 44.37 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dog n LEU 81 N -2.97 3.85 -4.77 -2.67 4.77 0.12 -4.95 117.00 110.37 2dog n LEU 81 Ca -0.37 1.04 -0.36 0.00 -0.03 0.00 0.00 56.01 56.29 2dog n LEU 81 Cb 1.03 -1.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2dog n LEU 81 CO 0.32 -0.97 0.80 -2.16 -1.33 0.00 0.00 177.39 174.06 2dog s PRO 82 N -2.31 3.54 0.73 3.23 0.04 -1.26 -4.96 135.00 134.01 2dog s PRO 82 Ca 0.64 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2dog s PRO 82 Cb -0.50 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.04 2dog s PRO 82 CO 0.55 -0.71 0.65 -0.35 0.04 0.00 0.00 177.00 177.18 2dog n PRO 83 N -0.93 -2.29 -3.51 0.56 -0.04 -1.26 -4.98 135.00 122.55 2dog n PRO 83 Ca 0.10 -1.03 -0.40 0.00 -0.04 0.00 0.00 63.50 62.12 2dog n PRO 83 Cb 0.50 -0.97 -0.04 0.00 -0.04 0.00 0.00 33.50 32.95 2dog n PRO 83 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dog n LEU 84 N 0.00 4.80 0.00 1.53 4.32 -1.26 -5.29 117.00 121.09 2dog n LEU 84 Ca 0.09 -5.09 0.06 0.00 -0.02 0.00 0.00 56.01 51.04 2dog n LEU 84 Cb 0.35 -1.27 0.33 0.00 -1.62 0.00 0.00 43.42 41.21 2dog n LEU 84 CO 0.24 1.47 0.55 -1.84 -1.22 0.00 0.00 177.39 176.59