#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dog n ARG 2 N 0.00 0.60 -4.42 0.03 1.74 -1.26 -4.86 116.66 108.49 2dog n ARG 2 Ca 0.00 -1.79 -0.25 0.00 -0.77 0.00 0.00 57.85 55.05 2dog n ARG 2 Cb 0.00 -3.53 -0.10 0.00 -1.02 0.00 0.00 32.46 27.81 2dog n ARG 2 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dog s LEU 3 N 11.05 2.65 -0.03 0.55 1.43 -1.26 -3.80 118.68 129.27 2dog s LEU 3 Ca 0.74 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2dog s LEU 3 Cb 0.02 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 45.02 2dog s LEU 3 CO 0.20 0.06 0.32 0.68 0.23 0.00 0.00 176.35 177.84 2dog s VAL 4 N -2.18 0.05 -0.26 -1.59 -7.23 -0.74 -4.94 120.40 103.52 2dog s VAL 4 Ca 0.27 -0.42 -0.26 0.00 -1.81 0.00 0.00 61.98 59.76 2dog s VAL 4 Cb -0.06 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.27 2dog s VAL 4 CO 0.14 -0.23 0.89 -0.70 -0.31 0.00 0.00 175.10 174.89 2dog s GLU 5 N -1.17 4.15 -0.21 4.82 2.12 -1.26 -0.13 118.70 127.01 2dog s GLU 5 Ca -0.12 0.99 0.08 0.00 0.36 0.00 0.00 54.97 56.28 2dog s GLU 5 Cb -0.05 -3.67 -0.18 0.00 0.26 0.00 0.00 34.13 30.49 2dog s GLU 5 CO 0.04 -0.60 -0.09 0.44 -0.54 0.00 0.00 175.26 174.50 2dog n ILE 6 N 5.37 1.31 -3.92 -3.70 -5.35 -1.17 -4.98 119.36 106.92 2dog n ILE 6 Ca 0.07 -0.63 -0.11 0.00 -0.27 0.00 0.00 62.75 61.82 2dog n ILE 6 Cb 0.47 -0.98 -0.01 0.00 -1.74 0.00 0.00 39.64 37.38 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 -5.83 0.73 0.03 3.28 0.00 -1.25 -1.08 107.32 103.19 2dog s GLY 7 Ca -0.22 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2dog s GLY 7 CO 0.63 -0.55 -0.04 -1.60 0.00 0.00 0.00 173.10 171.54 2dog s ARG 8 N -2.84 0.40 0.11 2.90 3.52 -0.42 -1.57 118.95 121.06 2dog s ARG 8 Ca 0.21 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 2dog s ARG 8 Cb -0.03 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.33 2dog s ARG 8 CO 0.14 -0.04 0.96 -0.06 -0.81 0.00 0.00 175.30 175.50 2dog s PHE 9 N -1.76 3.81 0.00 5.12 0.08 -1.01 -0.91 117.98 123.31 2dog s PHE 9 Ca -0.12 1.80 0.00 0.00 0.12 0.00 0.00 56.93 58.74 2dog s PHE 9 Cb -0.08 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 2dog s PHE 9 CO -0.02 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 2dog n GLY 10 N 2.23 -0.17 3.45 4.36 0.00 0.81 -3.51 105.19 112.37 2dog n GLY 10 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.95 2.58 -0.31 4.61 0.00 -1.26 -4.54 121.76 118.89 2dog s ALA 11 Ca 0.00 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2dog s ALA 11 Cb 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2dog s ALA 11 CO 0.00 0.58 1.67 -1.25 0.00 0.00 0.00 175.76 176.76 2dog s PRO 12 N -2.10 3.51 1.06 0.00 0.04 -1.26 -1.69 135.00 134.56 2dog s PRO 12 Ca 0.17 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 2dog s PRO 12 Cb -0.10 -4.12 0.15 0.00 0.04 0.00 0.00 34.50 30.47 2dog s PRO 12 CO 0.09 -1.64 0.19 0.98 0.04 0.00 0.00 177.00 176.66 2dog n TYR 13 N 9.48 -2.13 -0.99 0.56 9.36 0.30 -4.85 117.16 128.89 2dog n TYR 13 Ca 0.21 0.02 -0.36 0.00 3.32 0.00 0.00 57.90 61.08 2dog n TYR 13 Cb 0.46 -1.43 0.04 0.00 -0.63 0.00 0.00 39.34 37.79 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 -4.45 -5.43 -0.48 2.98 0.00 -1.26 -4.46 120.51 107.42 2dog n ALA 14 Ca 0.04 -0.85 0.41 0.00 0.00 0.00 0.00 53.44 53.05 2dog n ALA 14 Cb 0.45 -1.10 0.74 0.00 0.00 0.00 0.00 19.45 19.54 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 0.07 -1.19 0.00 3.38 -1.94 -0.65 115.31 113.94 2dog h LEU 15 Ca -0.43 0.03 0.38 0.00 0.09 0.00 0.00 57.88 57.95 2dog h LEU 15 Cb 1.32 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.00 2dog h LEU 15 CO 0.23 -0.02 0.80 0.29 0.09 0.00 0.00 178.44 179.83 2dog n LYS 16 N -4.21 -0.02 0.00 1.13 4.76 -1.26 -3.57 118.16 114.99 2dog n LYS 16 Ca 0.34 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 2dog n LYS 16 Cb 1.52 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 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 -1.49 1.26 3.80 0.72 0.00 -0.25 -4.19 105.19 105.04 2dog n GLY 17 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.80 2.11 -0.11 -0.02 0.00 -1.23 -4.56 107.32 101.71 2dog s GLY 18 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.12 2dog s GLY 18 CO 0.00 0.71 -0.12 1.08 0.00 0.00 0.00 173.10 174.77 2dog s LEU 19 N -4.57 1.55 -0.51 0.66 1.43 -0.67 0.11 118.68 116.67 2dog s LEU 19 Ca 0.64 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 2dog s LEU 19 Cb -0.16 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2dog s LEU 19 CO 0.38 -0.04 2.02 -0.13 0.23 0.00 0.00 176.35 178.81 2dog s ARG 20 N 1.26 2.62 -0.24 1.70 0.52 -0.68 -0.16 118.95 123.98 2dog s ARG 20 Ca -0.02 1.03 -0.08 0.00 -0.52 0.00 0.00 55.73 56.14 2dog s ARG 20 Cb -0.14 -4.41 -0.04 0.00 0.52 0.00 0.00 34.95 30.89 2dog s ARG 20 CO -0.05 -2.71 0.09 0.12 0.02 0.00 0.00 175.30 172.77 2dog s PHE 21 N 9.54 3.15 -0.51 -0.53 5.36 0.22 -0.13 117.98 135.08 2dog s PHE 21 Ca 0.79 -0.19 -0.06 0.00 -0.96 0.00 0.00 56.93 56.51 2dog s PHE 21 Cb -0.16 -2.22 0.13 0.00 -0.34 0.00 0.00 43.02 40.43 2dog s PHE 21 CO 0.25 -0.18 0.35 0.50 -1.46 0.00 0.00 175.22 174.67 2dog s ARG 22 N 1.29 2.41 0.25 10.12 6.06 -0.09 -3.55 118.95 135.45 2dog s ARG 22 Ca 0.05 -2.04 -0.00 0.00 -2.50 0.00 0.00 55.73 51.24 2dog s ARG 22 Cb -0.15 -3.79 -0.03 0.00 0.06 0.00 0.00 34.95 31.05 2dog s ARG 22 CO 0.04 -1.15 0.24 0.20 -2.50 0.00 0.00 175.30 172.13 2dog s GLY 23 N 1.82 1.59 0.88 8.12 0.00 -1.26 -1.30 107.32 117.16 2dog s GLY 23 Ca 0.10 -1.70 -0.14 0.00 0.00 0.00 0.00 44.72 42.98 2dog s GLY 23 CO -0.03 -1.30 0.29 1.18 0.00 0.00 0.00 173.10 173.24 2dog n GLU 24 N -0.41 -0.07 0.11 2.90 1.02 -0.24 -4.85 120.64 119.10 2dog n GLU 24 Ca 0.03 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 2dog n GLU 24 Cb 0.64 -1.73 0.46 0.00 -0.02 0.00 0.00 31.44 30.79 2dog n GLU 24 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2dog n PRO 25 N -0.83 0.16 0.11 3.49 -0.04 -1.26 -2.57 135.00 134.07 2dog n PRO 25 Ca 0.07 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 2dog n PRO 25 Cb 0.53 -1.81 0.46 0.00 -0.04 0.00 0.00 33.50 32.64 2dog n PRO 25 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dog n VAL 26 N -2.12 0.97 0.29 0.52 3.14 -1.26 -2.12 118.33 117.76 2dog n VAL 26 Ca 0.02 0.37 0.18 0.00 -2.96 0.00 0.00 64.34 61.95 2dog n VAL 26 Cb 0.21 -1.30 0.86 0.00 -1.06 0.00 0.00 33.84 32.56 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 0.14 0.00 1.55 3.04 -1.84 -2.10 116.25 117.04 2dog h VAL 27 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2dog h VAL 27 Cb 0.24 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2dog h VAL 27 CO 0.00 0.03 0.00 0.18 -1.01 0.00 0.00 177.57 176.77 2dog n LEU 28 N -3.21 0.00 -0.52 3.16 4.77 -0.90 -0.82 117.00 119.47 2dog n LEU 28 Ca -0.01 0.38 0.06 0.00 -0.03 0.00 0.00 56.01 56.40 2dog n LEU 28 Cb 0.22 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2dog n LEU 28 CO 0.26 -0.28 0.49 1.41 -1.33 0.00 0.00 177.39 177.94 2dog n HIS 29 N -1.38 0.14 -3.23 -1.77 8.25 -0.79 -5.00 115.22 111.44 2dog n HIS 29 Ca 0.03 -0.15 -0.28 0.00 -0.26 0.00 0.00 57.72 57.07 2dog n HIS 29 Cb 0.07 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.98 3.98 -0.05 2.41 1.43 -0.00 -4.88 118.68 120.60 2dog s LEU 30 Ca 0.17 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2dog s LEU 30 Cb 0.11 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 2dog s LEU 30 CO 0.15 -0.27 -0.02 1.21 0.23 0.00 0.00 176.35 177.65 2dog n GLU 31 N -1.27 1.55 -4.61 1.70 4.07 -1.26 -5.02 120.64 115.80 2dog n GLU 31 Ca -0.02 0.02 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 2dog n GLU 31 Cb 0.54 -1.10 -0.09 0.00 -0.06 0.00 0.00 31.44 30.73 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 -2.10 1.96 0.25 5.31 1.70 -1.26 -1.62 118.95 123.18 2dog s ARG 32 Ca -0.05 -2.17 -0.05 0.00 -0.47 0.00 0.00 55.73 52.99 2dog s ARG 32 Cb 0.02 -1.25 -0.02 0.00 -0.57 0.00 0.00 34.95 33.13 2dog s ARG 32 CO 0.14 -0.25 0.33 0.14 -1.08 0.00 0.00 175.30 174.57 2dog s VAL 33 N -2.98 0.00 -0.11 4.99 -7.23 0.48 -4.75 120.40 110.80 2dog s VAL 33 Ca 0.24 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2dog s VAL 33 Cb 0.06 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.62 2dog s VAL 33 CO 0.12 0.00 -0.07 -0.47 -0.31 0.00 0.00 175.10 174.38 2dog s TYR 34 N -3.89 1.39 -0.82 2.82 5.04 -1.13 -0.34 117.35 120.41 2dog s TYR 34 Ca 0.31 -0.67 -0.23 0.00 -2.44 0.00 0.00 57.07 54.04 2dog s TYR 34 Cb 0.03 -1.18 0.07 0.00 0.35 0.00 0.00 41.96 41.22 2dog s TYR 34 CO 0.13 -0.49 1.20 0.08 -1.34 0.00 0.00 175.55 175.12 2dog s VAL 35 N 1.74 4.14 -0.49 3.14 1.01 -0.54 -2.04 120.40 127.36 2dog s VAL 35 Ca 0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 2dog s VAL 35 Cb -0.13 -4.86 -0.07 0.00 0.00 0.00 0.00 36.38 31.33 2dog s VAL 35 CO -0.08 -1.69 2.42 -0.70 0.00 0.00 0.00 175.10 175.05 2dog s GLU 36 N 4.49 2.08 0.00 2.72 -6.30 -1.09 -2.12 118.70 118.48 2dog s GLU 36 Ca 0.33 1.41 0.00 0.00 -2.50 0.00 0.00 54.97 54.21 2dog s GLU 36 Cb -0.08 -4.59 0.00 0.00 0.00 0.00 0.00 34.13 29.46 2dog s GLU 36 CO 0.03 -3.31 0.00 0.41 0.02 0.00 0.00 175.26 172.41 2dog n GLY 37 N 6.01 4.27 0.12 -1.50 0.00 -1.26 -4.39 105.19 108.44 2dog n GLY 37 Ca 0.37 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.90 -5.16 115.22 115.24 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 3.45 0.95 3.79 -1.41 0.00 -1.18 -5.04 105.19 105.75 2dog n GLY 39 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.35 3.14 0.27 1.61 0.52 -1.26 -1.46 118.94 119.40 2dog s TRP 40 Ca 0.16 1.61 0.02 0.00 0.02 0.00 0.00 56.10 57.91 2dog s TRP 40 Cb -0.04 -3.08 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 2dog s TRP 40 CO 0.11 -0.69 0.12 1.03 0.02 0.00 0.00 176.95 177.54 2dog s ARG 41 N -2.89 1.46 0.11 4.98 1.81 0.53 -4.81 118.95 120.15 2dog s ARG 41 Ca 0.63 -1.80 0.10 0.00 -1.72 0.00 0.00 55.73 52.93 2dog s ARG 41 Cb -0.18 -0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.09 2dog s ARG 41 CO 0.23 -0.35 -0.25 0.00 -0.68 0.00 0.00 175.30 174.25 2dog s ALA 42 N -3.73 2.15 -0.06 2.13 0.00 -1.26 -0.39 121.76 120.60 2dog s ALA 42 Ca 0.37 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 2dog s ALA 42 Cb 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2dog s ALA 42 CO 0.15 0.47 0.60 0.42 0.00 0.00 0.00 175.76 177.39 2dog s ILE 43 N -1.08 5.04 -0.18 0.00 1.01 -0.64 -0.28 121.20 125.07 2dog s ILE 43 Ca 0.11 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.01 2dog s ILE 43 Cb -0.10 -3.94 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 2dog s ILE 43 CO 0.05 0.33 -0.15 -0.62 0.00 0.00 0.00 174.94 174.55 2dog n GLU 44 N 3.38 0.49 -3.64 2.79 -0.58 -0.49 -4.84 120.64 117.75 2dog n GLU 44 Ca -0.05 0.10 -0.04 0.00 -0.42 0.00 0.00 57.16 56.75 2dog n GLU 44 Cb 0.51 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.96 2dog n GLU 44 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2dog s ASP 45 N -5.71 -0.74 0.07 1.62 2.15 -1.23 -5.03 116.67 107.79 2dog s ASP 45 Ca -0.24 1.18 -0.06 0.00 0.43 0.00 0.00 52.55 53.86 2dog s ASP 45 Cb 0.06 1.34 -0.01 0.00 -0.30 0.00 0.00 42.92 44.01 2dog s ASP 45 CO 0.42 -0.18 0.12 -1.48 -0.17 0.00 0.00 175.17 173.87 2dog s LEU 46 N 1.57 1.76 -0.25 -1.34 0.05 -1.26 -1.07 118.68 118.13 2dog s LEU 46 Ca -0.09 -0.71 -0.27 0.00 0.05 0.00 0.00 54.13 53.11 2dog s LEU 46 Cb -0.05 0.75 0.13 0.00 -2.05 0.00 0.00 46.19 44.97 2dog s LEU 46 CO -0.18 -0.66 1.05 -0.72 -0.55 0.00 0.00 176.35 175.30 2dog s TYR 47 N -3.64 -0.41 -0.69 3.48 -0.85 -1.19 -5.01 117.35 109.04 2dog s TYR 47 Ca 0.04 0.93 -0.27 0.00 -0.52 0.00 0.00 57.07 57.24 2dog s TYR 47 Cb 0.05 0.40 0.02 0.00 0.38 0.00 0.00 41.96 42.81 2dog s TYR 47 CO -0.10 -0.25 1.32 -0.98 -1.52 0.00 0.00 175.55 174.03 2dog s ARG 48 N -0.19 3.21 -0.63 -3.49 1.70 -1.26 -2.16 118.95 116.13 2dog s ARG 48 Ca 0.02 -0.02 -0.26 0.00 -0.47 0.00 0.00 55.73 55.00 2dog s ARG 48 Cb -0.04 -4.16 0.04 0.00 -0.57 0.00 0.00 34.95 30.22 2dog s ARG 48 CO -0.05 -2.10 1.13 0.08 -1.08 0.00 0.00 175.30 173.29 2dog s VAL 49 N 5.90 4.06 0.00 4.99 1.01 0.26 -4.82 120.40 131.80 2dog s VAL 49 Ca 0.41 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2dog s VAL 49 Cb -0.09 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.56 2dog s VAL 49 CO 0.18 -1.46 0.00 0.61 0.00 0.00 0.00 175.10 174.43 2dog n GLY 50 N 5.21 0.76 1.09 4.51 0.00 -1.26 -1.13 105.19 114.36 2dog n GLY 50 Ca 0.04 0.51 -0.02 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 1.97 -4.05 1.61 1.02 -1.26 -5.01 120.64 114.92 2dog n GLU 51 Ca 0.00 -3.13 -0.13 0.00 -0.02 0.00 0.00 57.16 53.88 2dog n GLU 51 Cb 0.00 -1.81 -0.04 0.00 -0.02 0.00 0.00 31.44 29.57 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 -3.18 1.88 -0.01 3.49 2.02 -0.28 -5.16 118.70 117.46 2dog s GLU 52 Ca 0.44 -1.65 0.02 0.00 0.02 0.00 0.00 54.97 53.81 2dog s GLU 52 Cb 0.39 0.46 -0.01 0.00 0.10 0.00 0.00 34.13 35.08 2dog s GLU 52 CO 0.01 -0.79 -0.08 -0.51 0.02 0.00 0.00 175.26 173.91 2dog s LEU 53 N -3.19 1.99 -0.30 1.80 1.43 -1.23 0.90 118.68 120.07 2dog s LEU 53 Ca 0.28 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2dog s LEU 53 Cb -0.01 -0.43 0.09 0.00 0.03 0.00 0.00 46.19 45.87 2dog s LEU 53 CO 0.17 0.10 0.02 -0.69 0.23 0.00 0.00 176.35 176.18 2dog s VAL 54 N -0.14 1.79 -0.10 -1.59 1.01 -0.92 0.72 120.40 121.17 2dog s VAL 54 Ca 0.02 -1.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.04 2dog s VAL 54 Cb -0.04 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2dog s VAL 54 CO -0.00 -0.45 0.38 -0.69 0.00 0.00 0.00 175.10 174.34 2dog s VAL 55 N 1.19 5.19 -0.47 2.92 1.01 0.78 -3.15 120.40 127.88 2dog s VAL 55 Ca 0.05 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 2dog s VAL 55 Cb -0.19 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.59 2dog s VAL 55 CO -0.11 0.43 0.34 -1.00 0.00 0.00 0.00 175.10 174.76 2dog s HIS 56 N 0.01 3.37 0.73 5.22 3.76 -0.24 -1.68 115.29 126.48 2dog s HIS 56 Ca 0.22 -1.66 -0.12 0.00 -0.15 0.00 0.00 55.06 53.35 2dog s HIS 56 Cb -0.15 -3.37 0.04 0.00 1.11 0.00 0.00 32.58 30.21 2dog s HIS 56 CO 0.09 -0.95 1.09 -0.51 -0.85 0.00 0.00 174.74 173.62 2dog s LEU 57 N 1.42 3.15 0.05 0.89 1.43 -1.26 -1.40 118.68 122.96 2dog s LEU 57 Ca 0.05 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.71 2dog s LEU 57 Cb -0.26 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.38 2dog s LEU 57 CO 0.01 -1.88 1.27 0.00 0.23 0.00 0.00 176.35 175.98 2dog s ALA 58 N -2.74 3.48 0.00 4.21 0.00 0.62 -3.50 121.76 123.83 2dog s ALA 58 Ca 0.63 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2dog s ALA 58 Cb -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2dog s ALA 58 CO 0.52 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2dog n GLY 59 N 3.37 2.98 3.55 0.00 0.00 -1.26 -4.80 105.19 109.03 2dog n GLY 59 Ca 0.10 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 3.05 -0.07 1.61 1.01 -1.23 -4.71 120.40 120.06 2dog s VAL 60 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.11 2dog s VAL 60 Cb 0.00 -3.13 0.16 0.00 0.00 0.00 0.00 36.38 33.41 2dog s VAL 60 CO 0.00 -0.12 1.05 0.35 0.00 0.00 0.00 175.10 176.38 2dog n THR 61 N 7.90 1.30 -3.78 3.92 -2.24 -1.26 -4.64 114.28 115.47 2dog n THR 61 Ca 0.35 -1.51 -0.12 0.00 -2.27 0.00 0.00 64.05 60.50 2dog n THR 61 Cb 0.54 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.98 -0.10 0.30 3.42 -4.77 -1.26 -4.29 116.67 108.00 2dog s ASP 62 Ca 0.18 -0.17 0.04 0.00 -3.30 0.00 0.00 52.55 49.30 2dog s ASP 62 Cb 0.15 0.32 0.65 0.00 -1.09 0.00 0.00 42.92 42.95 2dog s ASP 62 CO 0.02 -0.55 1.83 -0.09 0.70 0.00 0.00 175.17 177.08 2dog h ARG 63 N 3.48 0.86 0.20 2.11 2.43 -1.85 -2.22 114.38 119.38 2dog h ARG 63 Ca -0.31 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2dog h ARG 63 Cb 1.19 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2dog h ARG 63 CO 0.45 0.57 -0.17 1.15 -1.51 0.00 0.00 179.97 180.46 2dog h THR 64 N 0.89 0.00 -0.93 0.20 2.02 -1.96 0.17 112.91 113.30 2dog h THR 64 Ca 0.50 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.94 2dog h THR 64 Cb 0.62 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.90 2dog h THR 64 CO -0.28 0.00 0.41 -0.07 0.37 0.00 0.00 175.52 175.96 2dog h LEU 65 N -0.36 0.32 0.55 2.58 3.38 -1.93 -0.77 115.31 119.08 2dog h LEU 65 Ca -0.03 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2dog h LEU 65 Cb 0.30 0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2dog h LEU 65 CO -0.01 -0.06 -0.27 0.00 0.09 0.00 0.00 178.44 178.20 2dog h ALA 66 N 1.76 -0.74 -1.04 1.53 0.00 -1.09 -2.79 119.26 116.90 2dog h ALA 66 Ca 0.61 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.61 2dog h ALA 66 Cb 1.24 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 2dog h ALA 66 CO -0.57 -0.87 0.65 0.93 0.00 0.00 0.00 179.25 179.39 2dog h GLU 67 N -0.84 0.42 0.00 0.00 5.08 0.74 0.74 114.58 120.73 2dog h GLU 67 Ca -0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2dog h GLU 67 Cb 0.61 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2dog h GLU 67 CO 0.12 0.28 -0.08 0.00 -1.00 0.00 0.00 179.01 178.34 2dog h ALA 68 N 1.66 1.84 -0.44 3.43 0.00 -1.05 -1.31 119.26 123.38 2dog h ALA 68 Ca 0.62 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 2dog h ALA 68 Cb 1.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2dog h ALA 68 CO -0.36 0.09 0.02 1.28 0.00 0.00 0.00 179.25 180.29 2dog n LEU 69 N -4.40 4.89 -4.64 0.00 4.77 0.25 -4.94 117.00 112.93 2dog n LEU 69 Ca -0.03 -3.03 -0.38 0.00 -0.03 0.00 0.00 56.01 52.54 2dog n LEU 69 Cb 0.15 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 2dog n LEU 69 CO 0.35 0.69 -0.04 -0.69 -1.33 0.00 0.00 177.39 176.36 2dog s VAL 70 N -2.84 5.27 0.00 4.08 1.01 -0.50 -4.25 120.40 123.17 2dog s VAL 70 Ca 0.49 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2dog s VAL 70 Cb 0.39 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2dog s VAL 70 CO 0.12 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2dog n GLY 71 N 4.37 0.90 3.80 4.51 0.00 -1.23 -5.01 105.19 112.53 2dog n GLY 71 Ca -0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 2.14 -0.09 0.99 1.43 -1.26 -4.77 118.68 117.12 2dog s LEU 72 Ca 0.00 1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2dog s LEU 72 Cb 0.00 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2dog s LEU 72 CO 0.00 -2.41 -0.03 -0.13 0.23 0.00 0.00 176.35 174.01 2dog s ARG 73 N -5.28 3.00 -0.07 1.70 0.52 -1.26 -2.41 118.95 115.15 2dog s ARG 73 Ca 0.63 -0.48 -0.23 0.00 -0.52 0.00 0.00 55.73 55.12 2dog s ARG 73 Cb -0.14 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 2dog s ARG 73 CO 0.53 0.61 0.70 0.08 0.02 0.00 0.00 175.30 177.24 2dog s VAL 74 N -0.64 5.05 0.08 3.52 1.01 -0.61 -2.69 120.40 126.12 2dog s VAL 74 Ca 0.10 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2dog s VAL 74 Cb -0.12 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2dog s VAL 74 CO 0.02 0.25 0.15 -0.31 0.00 0.00 0.00 175.10 175.20 2dog s TYR 75 N 0.84 3.35 0.25 5.22 1.51 -0.86 -3.03 117.35 124.62 2dog s TYR 75 Ca 0.37 0.15 0.11 0.00 -1.01 0.00 0.00 57.07 56.70 2dog s TYR 75 Cb -0.18 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 2dog s TYR 75 CO 0.18 0.55 -0.20 0.00 -1.11 0.00 0.00 175.55 174.97 2dog s ALA 76 N -1.47 2.61 -0.23 3.71 0.00 0.81 -2.84 121.76 124.35 2dog s ALA 76 Ca 0.32 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2dog s ALA 76 Cb -0.12 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.77 2dog s ALA 76 CO 0.25 0.29 -0.12 -2.00 0.00 0.00 0.00 175.76 174.18 2dog s GLU 77 N -3.33 2.72 0.51 0.00 2.12 -1.26 -1.78 118.70 117.67 2dog s GLU 77 Ca 0.27 -1.03 0.28 0.00 0.36 0.00 0.00 54.97 54.84 2dog s GLU 77 Cb -0.05 -2.82 1.38 0.00 0.26 0.00 0.00 34.13 32.90 2dog s GLU 77 CO 0.13 -0.38 1.90 0.28 -0.54 0.00 0.00 175.26 176.64 2dog h VAL 78 N 6.25 0.60 -1.35 3.70 2.07 -1.94 -0.37 116.25 125.22 2dog h VAL 78 Ca -0.33 -0.03 0.39 0.00 0.82 0.00 0.00 66.70 67.55 2dog h VAL 78 Cb 1.10 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2dog h VAL 78 CO 0.56 0.02 1.05 0.00 0.02 0.00 0.00 177.57 179.22 2dog h ALA 79 N 1.59 3.25 0.03 1.67 0.00 -1.94 0.84 119.26 124.71 2dog h ALA 79 Ca 0.41 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.89 2dog h ALA 79 Cb 1.50 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2dog h ALA 79 CO -0.05 -1.75 -2.33 -3.47 0.00 0.00 0.00 179.25 171.65 2dog n ASP 80 N -3.92 2.01 -4.31 0.00 -0.08 -0.15 -4.99 116.55 105.12 2dog n ASP 80 Ca 0.30 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.21 2dog n ASP 80 Cb 1.48 -0.57 0.05 0.00 2.34 0.00 0.00 41.12 44.41 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 -3.44 -1.92 -4.77 -2.67 4.77 0.29 -4.92 117.00 104.34 2dog n LEU 81 Ca -0.43 0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 2dog n LEU 81 Cb 0.98 -1.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2dog n LEU 81 CO 0.28 -4.21 0.71 -2.16 -1.33 0.00 0.00 177.39 170.68 2dog s PRO 82 N -2.07 2.45 0.63 3.23 0.04 -1.26 -4.98 135.00 133.04 2dog s PRO 82 Ca 0.58 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 2dog s PRO 82 Cb -0.36 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2dog s PRO 82 CO 0.65 -1.51 1.11 -1.25 0.04 0.00 0.00 177.00 176.05 2dog s PRO 83 N -4.62 2.92 0.63 0.56 0.04 -1.26 -4.92 135.00 128.36 2dog s PRO 83 Ca 0.63 1.43 0.42 0.00 0.04 0.00 0.00 61.00 63.52 2dog s PRO 83 Cb -0.18 -1.96 2.12 0.00 0.04 0.00 0.00 34.50 34.51 2dog s PRO 83 CO 0.51 -1.16 2.26 -0.07 0.04 0.00 0.00 177.00 178.57 2dog h LEU 84 N 0.27 0.00 -1.71 -3.56 -0.00 -2.03 -3.56 115.31 104.72 2dog h LEU 84 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2dog h LEU 84 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2dog h LEU 84 CO 0.55 0.00 0.00 -1.84 -0.00 0.00 0.00 178.44 177.15