#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 3.14 0.21 0.03 0.52 -1.26 -5.05 118.95 116.54 2dog s ARG 2 Ca 0.00 -2.71 0.09 0.00 -0.52 0.00 0.00 55.73 52.59 2dog s ARG 2 Cb 0.00 -4.04 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 2dog s ARG 2 CO 0.00 -1.23 -0.17 -0.51 0.02 0.00 0.00 175.30 173.41 2dog s LEU 3 N -0.34 2.53 -0.02 2.53 1.43 -1.26 -3.67 118.68 119.87 2dog s LEU 3 Ca 0.20 -0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 2dog s LEU 3 Cb -0.14 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.29 2dog s LEU 3 CO -0.07 -0.09 0.29 0.68 0.23 0.00 0.00 176.35 177.39 2dog s VAL 4 N -2.59 0.06 -0.15 -1.59 -7.23 -0.73 -4.93 120.40 103.25 2dog s VAL 4 Ca 0.22 -0.47 -0.27 0.00 -1.81 0.00 0.00 61.98 59.64 2dog s VAL 4 Cb -0.03 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 2dog s VAL 4 CO 0.08 -0.26 0.92 -0.70 -0.31 0.00 0.00 175.10 174.84 2dog s GLU 5 N -1.23 4.35 -0.12 4.82 2.12 -1.26 -0.09 118.70 127.28 2dog s GLU 5 Ca -0.13 1.20 0.04 0.00 0.36 0.00 0.00 54.97 56.44 2dog s GLU 5 Cb -0.05 -3.57 -0.10 0.00 0.26 0.00 0.00 34.13 30.67 2dog s GLU 5 CO 0.04 -0.35 -0.07 0.44 -0.54 0.00 0.00 175.26 174.78 2dog n ILE 6 N 4.71 0.75 -3.91 -3.70 -5.35 -1.21 -4.97 119.36 105.68 2dog n ILE 6 Ca 0.07 -0.34 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 2dog n ILE 6 Cb 0.48 -0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 37.46 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 -4.99 0.21 0.02 3.28 0.00 -1.25 -1.87 107.32 102.72 2dog s GLY 7 Ca -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.02 2dog s GLY 7 CO 0.34 -0.31 -0.07 -1.60 0.00 0.00 0.00 173.10 171.46 2dog s ARG 8 N -3.77 0.54 0.23 2.90 3.52 -0.66 -1.90 118.95 119.80 2dog s ARG 8 Ca 0.16 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 2dog s ARG 8 Cb -0.04 -0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 32.84 2dog s ARG 8 CO 0.09 0.10 1.16 -0.06 -0.81 0.00 0.00 175.30 175.77 2dog s PHE 9 N -0.77 3.48 0.00 5.12 0.08 -1.14 -2.04 117.98 122.71 2dog s PHE 9 Ca -0.03 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2dog s PHE 9 Cb -0.06 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 2dog s PHE 9 CO 0.00 -0.93 0.00 0.41 -0.10 0.00 0.00 175.22 174.60 2dog n GLY 10 N 1.71 -0.03 3.52 4.36 0.00 0.63 -3.69 105.19 111.68 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 -3.53 2.77 -0.33 4.61 0.00 -1.26 -4.43 121.76 119.58 2dog s ALA 11 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 2dog s ALA 11 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2dog s ALA 11 CO 0.00 0.61 1.68 -1.25 0.00 0.00 0.00 175.76 176.80 2dog s PRO 12 N -2.09 3.48 0.99 0.00 0.04 -1.26 -1.70 135.00 134.46 2dog s PRO 12 Ca 0.19 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 2dog s PRO 12 Cb -0.11 -4.13 0.17 0.00 0.04 0.00 0.00 34.50 30.47 2dog s PRO 12 CO 0.11 -1.69 0.32 0.98 0.04 0.00 0.00 177.00 176.76 2dog n TYR 13 N 9.62 -2.35 -0.94 0.56 9.36 0.20 -4.86 117.16 128.74 2dog n TYR 13 Ca 0.21 -0.00 -0.37 0.00 3.32 0.00 0.00 57.90 61.06 2dog n TYR 13 Cb 0.47 -1.38 0.06 0.00 -0.63 0.00 0.00 39.34 37.85 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 -4.37 -5.27 0.28 2.98 0.00 -1.26 -4.55 120.51 108.32 2dog n ALA 14 Ca 0.06 -1.10 0.12 0.00 0.00 0.00 0.00 53.44 52.52 2dog n ALA 14 Cb 0.34 -1.07 0.62 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.18 0.00 -1.74 0.00 3.38 -1.94 -1.78 115.31 112.05 2dog h LEU 15 Ca -0.43 0.00 0.40 0.00 0.09 0.00 0.00 57.88 57.94 2dog h LEU 15 Cb 1.35 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 2dog h LEU 15 CO 0.25 0.00 0.94 0.11 0.09 0.00 0.00 178.44 179.82 2dog h LYS 16 N 0.00 0.09 0.00 1.13 1.79 -1.92 -3.35 116.57 114.31 2dog h LYS 16 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2dog h LYS 16 Cb 0.72 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2dog h LYS 16 CO 0.00 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.84 2dog n GLY 17 N -1.69 1.32 3.85 3.86 0.00 -0.67 -4.44 105.19 107.43 2dog n GLY 17 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 2.03 -0.10 -0.02 0.00 -1.25 -4.67 107.32 101.32 2dog s GLY 18 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.86 2dog s GLY 18 CO 0.00 0.39 -0.14 1.08 0.00 0.00 0.00 173.10 174.44 2dog s LEU 19 N -4.10 1.63 -0.34 0.66 1.43 -0.74 0.62 118.68 117.84 2dog s LEU 19 Ca 0.58 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 53.01 2dog s LEU 19 Cb -0.10 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2dog s LEU 19 CO 0.32 -0.00 2.06 -0.13 0.23 0.00 0.00 176.35 178.83 2dog s ARG 20 N 1.05 2.99 -0.21 1.70 0.52 -0.69 -0.88 118.95 123.43 2dog s ARG 20 Ca -0.06 1.57 -0.04 0.00 -0.52 0.00 0.00 55.73 56.67 2dog s ARG 20 Cb -0.15 -4.34 -0.02 0.00 0.52 0.00 0.00 34.95 30.96 2dog s ARG 20 CO -0.02 -2.26 -0.02 0.12 0.02 0.00 0.00 175.30 173.14 2dog s PHE 21 N 8.48 2.99 -0.51 -0.53 5.36 0.27 -0.27 117.98 133.78 2dog s PHE 21 Ca 0.89 -0.66 -0.05 0.00 -0.96 0.00 0.00 56.93 56.15 2dog s PHE 21 Cb -0.25 -2.09 0.13 0.00 -0.34 0.00 0.00 43.02 40.48 2dog s PHE 21 CO 0.32 -0.37 0.33 0.50 -1.46 0.00 0.00 175.22 174.54 2dog s ARG 22 N 1.21 2.36 0.26 10.12 3.00 -0.86 -3.28 118.95 131.75 2dog s ARG 22 Ca 0.03 -2.04 0.00 0.00 -1.00 0.00 0.00 55.73 52.72 2dog s ARG 22 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 34.95 31.02 2dog s ARG 22 CO 0.00 -1.14 0.25 0.20 0.00 0.00 0.00 175.30 174.61 2dog s GLY 23 N 1.74 1.64 0.96 8.12 0.00 -1.26 -1.66 107.32 116.86 2dog s GLY 23 Ca 0.10 -1.72 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 2dog s GLY 23 CO -0.03 -1.30 0.19 1.18 0.00 0.00 0.00 173.10 173.14 2dog n GLU 24 N -0.43 -0.23 0.16 2.90 -0.58 -0.78 -4.85 120.64 116.83 2dog n GLU 24 Ca 0.03 -0.03 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2dog n GLU 24 Cb 0.64 -1.70 0.53 0.00 -0.57 0.00 0.00 31.44 30.33 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 -1.45 0.00 0.00 3.49 0.13 -2.01 -2.79 132.00 129.37 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dog h PRO 25 CO 0.32 0.00 0.00 -0.24 -0.23 0.00 0.00 178.00 177.85 2dog h VAL 26 N 0.00 0.00 0.00 1.56 3.04 -2.00 -2.36 116.25 116.49 2dog h VAL 26 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2dog h VAL 26 Cb 0.38 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2dog h VAL 26 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.57 177.11 2dog n VAL 27 N -2.32 1.22 1.46 1.51 3.14 -1.05 -1.44 118.33 120.85 2dog n VAL 27 Ca 0.01 0.42 0.14 0.00 -2.96 0.00 0.00 64.34 61.95 2dog n VAL 27 Cb 0.17 -1.34 0.74 0.00 -1.06 0.00 0.00 33.84 32.35 2dog n VAL 27 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2dog n LEU 28 N -1.87 0.00 -0.26 6.55 4.77 -0.89 -2.70 117.00 122.60 2dog n LEU 28 Ca 0.01 0.19 0.04 0.00 -0.03 0.00 0.00 56.01 56.22 2dog n LEU 28 Cb 0.11 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2dog n LEU 28 CO 0.11 -0.02 0.31 1.41 -1.33 0.00 0.00 177.39 177.86 2dog n HIS 29 N -1.19 0.00 -2.33 -1.77 8.25 -0.52 -5.02 115.22 112.63 2dog n HIS 29 Ca 0.16 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.37 2dog n HIS 29 Cb 0.18 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.96 2.93 0.00 2.41 1.43 -1.10 -4.98 118.68 118.40 2dog s LEU 30 Ca 0.08 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2dog s LEU 30 Cb 0.06 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2dog s LEU 30 CO 0.13 -1.66 0.00 -0.62 0.23 0.00 0.00 176.35 174.43 2dog n GLU 31 N -2.87 1.04 -4.40 1.70 -0.58 -1.26 -5.06 120.64 109.21 2dog n GLU 31 Ca 0.10 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.64 2dog n GLU 31 Cb 0.60 -0.71 -0.10 0.00 -0.57 0.00 0.00 31.44 30.66 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2dog s ARG 32 N -1.42 1.47 0.30 3.49 1.70 -1.26 -1.55 118.95 121.68 2dog s ARG 32 Ca 0.00 -1.71 0.03 0.00 -0.47 0.00 0.00 55.73 53.59 2dog s ARG 32 Cb 0.00 -1.15 -0.04 0.00 -0.57 0.00 0.00 34.95 33.19 2dog s ARG 32 CO 0.00 0.10 0.16 0.14 -1.08 0.00 0.00 175.30 174.63 2dog s VAL 33 N -2.99 0.30 -0.14 4.99 -7.23 0.89 -4.84 120.40 111.40 2dog s VAL 33 Ca 0.27 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2dog s VAL 33 Cb 0.02 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.48 2dog s VAL 33 CO 0.10 0.00 -0.05 -0.47 -0.31 0.00 0.00 175.10 174.37 2dog s TYR 34 N -3.62 1.48 -0.81 2.82 5.04 -1.08 -1.39 117.35 119.78 2dog s TYR 34 Ca 0.36 -0.85 -0.23 0.00 -2.44 0.00 0.00 57.07 53.91 2dog s TYR 34 Cb 0.05 -1.22 0.07 0.00 0.35 0.00 0.00 41.96 41.21 2dog s TYR 34 CO 0.18 -0.55 1.18 0.08 -1.34 0.00 0.00 175.55 175.10 2dog s VAL 35 N 1.71 4.17 -0.51 3.14 1.01 -0.55 -1.59 120.40 127.79 2dog s VAL 35 Ca 0.03 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 2dog s VAL 35 Cb -0.14 -4.84 -0.07 0.00 0.00 0.00 0.00 36.38 31.33 2dog s VAL 35 CO -0.08 -1.67 2.37 -0.70 0.00 0.00 0.00 175.10 175.02 2dog s GLU 36 N 4.38 2.12 0.00 2.72 2.56 -0.35 -2.12 118.70 128.01 2dog s GLU 36 Ca 0.33 1.32 0.00 0.00 0.00 0.00 0.00 54.97 56.61 2dog s GLU 36 Cb -0.09 -4.58 0.00 0.00 2.00 0.00 0.00 34.13 31.47 2dog s GLU 36 CO 0.03 -3.27 0.00 0.41 -0.56 0.00 0.00 175.26 171.87 2dog n GLY 37 N 6.00 3.73 0.18 -1.50 0.00 -1.26 -4.14 105.19 108.20 2dog n GLY 37 Ca 0.36 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.16 115.22 115.23 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 3.73 0.96 3.70 -1.41 0.00 -1.17 -5.04 105.19 105.95 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 -2.38 3.49 0.27 1.61 0.52 -1.26 -1.48 118.94 119.71 2dog s TRP 40 Ca 0.16 1.54 0.09 0.00 0.02 0.00 0.00 56.10 57.91 2dog s TRP 40 Cb -0.05 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 2dog s TRP 40 CO 0.11 -0.43 0.02 1.03 0.02 0.00 0.00 176.95 177.70 2dog s ARG 41 N 1.70 2.34 0.23 4.98 1.81 -0.49 -4.87 118.95 124.65 2dog s ARG 41 Ca 0.51 -1.42 0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2dog s ARG 41 Cb -0.21 -2.18 -0.04 0.00 -0.45 0.00 0.00 34.95 32.07 2dog s ARG 41 CO 0.22 0.33 0.04 0.00 -0.68 0.00 0.00 175.30 175.22 2dog s ALA 42 N -2.33 3.27 -0.16 2.13 0.00 -1.26 -0.07 121.76 123.34 2dog s ALA 42 Ca 0.32 -1.49 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 2dog s ALA 42 Cb -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2dog s ALA 42 CO 0.20 0.35 0.15 0.42 0.00 0.00 0.00 175.76 176.88 2dog s ILE 43 N -2.05 5.44 -0.12 0.00 1.01 -0.59 -0.56 121.20 124.33 2dog s ILE 43 Ca 0.30 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 2dog s ILE 43 Cb -0.08 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 2dog s ILE 43 CO 0.20 0.52 -0.13 -0.62 0.00 0.00 0.00 174.94 174.92 2dog n GLU 44 N 2.77 0.28 -3.66 2.79 -0.58 -0.73 -4.85 120.64 116.65 2dog n GLU 44 Ca -0.18 0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.53 2dog n GLU 44 Cb 0.53 -1.10 -0.08 0.00 -0.57 0.00 0.00 31.44 30.23 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 -5.57 -0.70 0.15 1.62 -1.08 -1.24 -5.03 116.67 104.81 2dog s ASP 45 Ca -0.16 1.27 -0.15 0.00 -0.52 0.00 0.00 52.55 52.99 2dog s ASP 45 Cb 0.05 1.24 0.02 0.00 -1.46 0.00 0.00 42.92 42.77 2dog s ASP 45 CO 0.24 -0.22 0.39 -1.48 0.52 0.00 0.00 175.17 174.63 2dog s LEU 46 N 0.75 0.51 -0.27 -1.34 0.05 -1.26 -0.63 118.68 116.49 2dog s LEU 46 Ca -0.03 -0.48 -0.26 0.00 0.05 0.00 0.00 54.13 53.41 2dog s LEU 46 Cb -0.05 1.74 0.12 0.00 -2.05 0.00 0.00 46.19 45.95 2dog s LEU 46 CO -0.06 -0.90 1.01 -0.72 -0.55 0.00 0.00 176.35 175.14 2dog s TYR 47 N -3.85 -0.48 -0.70 3.48 -0.85 -1.15 -5.00 117.35 108.80 2dog s TYR 47 Ca 0.07 1.14 -0.27 0.00 -0.52 0.00 0.00 57.07 57.49 2dog s TYR 47 Cb 0.02 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.74 2dog s TYR 47 CO -0.08 -0.25 1.45 -0.98 -1.52 0.00 0.00 175.55 174.18 2dog s ARG 48 N 0.10 3.02 -0.50 -3.49 1.70 -1.26 -2.12 118.95 116.40 2dog s ARG 48 Ca 0.02 0.01 -0.26 0.00 -0.47 0.00 0.00 55.73 55.04 2dog s ARG 48 Cb -0.05 -4.24 0.03 0.00 -0.57 0.00 0.00 34.95 30.12 2dog s ARG 48 CO -0.05 -2.33 1.00 0.08 -1.08 0.00 0.00 175.30 172.92 2dog s VAL 49 N 6.74 4.35 0.00 4.99 1.01 0.24 -4.83 120.40 132.90 2dog s VAL 49 Ca 0.45 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2dog s VAL 49 Cb -0.09 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2dog s VAL 49 CO 0.17 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.88 2dog n GLY 50 N 4.99 0.98 1.37 4.51 0.00 -1.26 -0.87 105.19 114.91 2dog n GLY 50 Ca 0.06 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 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 2.03 -3.98 1.61 2.13 -1.26 -5.00 120.64 116.17 2dog n GLU 51 Ca 0.00 -3.26 -0.12 0.00 0.66 0.00 0.00 57.16 54.44 2dog n GLU 51 Cb 0.00 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 29.79 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 -3.32 1.95 0.00 5.31 2.02 -0.05 -5.14 118.70 119.47 2dog s GLU 52 Ca 0.47 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.95 2dog s GLU 52 Cb 0.42 0.51 -0.01 0.00 0.10 0.00 0.00 34.13 35.15 2dog s GLU 52 CO 0.01 -0.85 -0.11 -0.51 0.02 0.00 0.00 175.26 173.82 2dog s LEU 53 N -3.14 2.05 -0.30 1.80 1.43 -1.21 0.79 118.68 120.11 2dog s LEU 53 Ca 0.24 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2dog s LEU 53 Cb -0.02 -0.52 0.09 0.00 0.03 0.00 0.00 46.19 45.76 2dog s LEU 53 CO 0.15 0.10 0.01 -0.69 0.23 0.00 0.00 176.35 176.15 2dog s VAL 54 N -0.38 1.93 -0.13 -1.59 1.01 -0.90 0.98 120.40 121.32 2dog s VAL 54 Ca 0.03 -1.89 -0.14 0.00 0.00 0.00 0.00 61.98 59.98 2dog s VAL 54 Cb -0.05 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2dog s VAL 54 CO -0.00 -0.42 0.32 -0.69 0.00 0.00 0.00 175.10 174.31 2dog s VAL 55 N 1.12 5.27 -0.50 2.92 1.01 -0.06 -2.93 120.40 127.24 2dog s VAL 55 Ca 0.04 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 2dog s VAL 55 Cb -0.19 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.66 2dog s VAL 55 CO -0.10 0.42 0.41 -1.00 0.00 0.00 0.00 175.10 174.84 2dog s HIS 56 N 0.19 3.33 0.50 5.22 3.76 0.20 -1.79 115.29 126.69 2dog s HIS 56 Ca 0.18 -1.53 -0.21 0.00 -0.15 0.00 0.00 55.06 53.35 2dog s HIS 56 Cb -0.14 -3.58 -0.07 0.00 1.11 0.00 0.00 32.58 29.91 2dog s HIS 56 CO 0.06 -0.98 1.14 -0.51 -0.85 0.00 0.00 174.74 173.60 2dog s LEU 57 N 1.49 3.89 0.36 0.89 1.43 -1.26 -1.78 118.68 123.71 2dog s LEU 57 Ca 0.04 2.23 -0.28 0.00 -1.03 0.00 0.00 54.13 55.09 2dog s LEU 57 Cb -0.28 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.44 2dog s LEU 57 CO 0.02 -1.04 1.35 0.00 0.23 0.00 0.00 176.35 176.91 2dog s ALA 58 N -1.66 3.45 0.00 4.21 0.00 0.28 -2.78 121.76 125.25 2dog s ALA 58 Ca 0.68 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2dog s ALA 58 Cb -0.26 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2dog s ALA 58 CO 0.31 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2dog n GLY 59 N 0.68 2.46 3.55 0.00 0.00 -1.26 -4.78 105.19 105.84 2dog n GLY 59 Ca 0.01 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 3.53 -0.14 1.61 1.01 -1.12 -4.74 120.40 119.58 2dog s VAL 60 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 61.98 62.13 2dog s VAL 60 Cb 0.00 -4.32 0.32 0.00 0.00 0.00 0.00 36.38 32.38 2dog s VAL 60 CO 0.00 -1.27 1.16 0.35 0.00 0.00 0.00 175.10 175.35 2dog n THR 61 N 7.13 1.69 -3.57 3.92 -2.24 -1.26 -4.66 114.28 115.29 2dog n THR 61 Ca 0.22 -2.34 -0.13 0.00 -2.27 0.00 0.00 64.05 59.54 2dog n THR 61 Cb 0.50 -0.08 -0.05 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 -2.78 -0.41 0.30 3.42 -4.77 -1.26 -4.70 116.67 106.48 2dog s ASP 62 Ca 0.32 0.03 -0.02 0.00 -3.30 0.00 0.00 52.55 49.58 2dog s ASP 62 Cb 0.30 0.50 0.46 0.00 -1.09 0.00 0.00 42.92 43.09 2dog s ASP 62 CO -0.03 -0.78 1.97 -0.09 0.70 0.00 0.00 175.17 176.94 2dog h ARG 63 N 2.58 1.07 0.61 2.11 2.43 -1.89 -2.11 114.38 119.18 2dog h ARG 63 Ca -0.32 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 2dog h ARG 63 Cb 1.24 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2dog h ARG 63 CO 0.42 0.71 -0.44 1.15 -1.51 0.00 0.00 179.97 180.30 2dog h THR 64 N 1.10 0.12 -0.31 0.20 2.02 -1.96 0.20 112.91 114.27 2dog h THR 64 Ca 0.30 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.53 2dog h THR 64 Cb -0.13 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.35 2dog h THR 64 CO -0.06 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.74 2dog h LEU 65 N -1.02 -0.16 0.10 2.58 3.38 -1.94 -1.62 115.31 116.63 2dog h LEU 65 Ca -0.07 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dog h LEU 65 Cb 0.84 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2dog h LEU 65 CO 0.03 -0.05 -0.20 0.00 0.09 0.00 0.00 178.44 178.32 2dog h ALA 66 N 1.28 -0.33 -0.93 1.53 0.00 -1.23 -1.89 119.26 117.68 2dog h ALA 66 Ca 0.15 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.23 2dog h ALA 66 Cb 0.21 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2dog h ALA 66 CO -0.27 -0.73 0.60 0.93 0.00 0.00 0.00 179.25 179.79 2dog h GLU 67 N -0.38 0.52 0.00 0.00 5.08 -0.23 0.37 114.58 119.94 2dog h GLU 67 Ca 0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2dog h GLU 67 Cb 0.40 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dog h GLU 67 CO -0.12 0.34 -0.10 0.00 -1.00 0.00 0.00 179.01 178.14 2dog h ALA 68 N 1.61 1.65 -0.74 3.43 0.00 -0.47 -1.71 119.26 123.04 2dog h ALA 68 Ca 0.50 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.95 2dog h ALA 68 Cb 1.06 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 2dog h ALA 68 CO -0.23 0.12 0.35 1.28 0.00 0.00 0.00 179.25 180.77 2dog n LEU 69 N -4.15 5.71 -4.59 0.00 4.77 0.13 -4.95 117.00 113.92 2dog n LEU 69 Ca -0.03 -3.64 -0.35 0.00 -0.03 0.00 0.00 56.01 51.97 2dog n LEU 69 Cb 0.18 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 2dog n LEU 69 CO 0.33 1.11 -0.27 -0.69 -1.33 0.00 0.00 177.39 176.54 2dog s VAL 70 N -3.26 4.61 0.00 4.08 1.01 -0.64 -4.41 120.40 121.79 2dog s VAL 70 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2dog s VAL 70 Cb 0.45 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2dog s VAL 70 CO 0.07 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2dog n GLY 71 N 3.76 1.76 3.73 4.51 0.00 -1.24 -5.05 105.19 112.65 2dog n GLY 71 Ca -0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 2.02 0.02 0.99 1.43 -1.26 -4.80 118.68 117.07 2dog s LEU 72 Ca 0.00 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 2dog s LEU 72 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2dog s LEU 72 CO 0.00 -2.71 0.05 -0.13 0.23 0.00 0.00 176.35 173.79 2dog s ARG 73 N -5.04 2.92 -0.18 1.70 3.00 -1.26 -2.89 118.95 117.20 2dog s ARG 73 Ca 0.64 -0.58 -0.09 0.00 0.00 0.00 0.00 55.73 55.70 2dog s ARG 73 Cb -0.17 -2.76 -0.05 0.00 0.00 0.00 0.00 34.95 31.97 2dog s ARG 73 CO 0.56 0.62 0.13 0.08 0.00 0.00 0.00 175.30 176.69 2dog s VAL 74 N -1.20 5.43 0.10 3.52 1.01 -0.80 -1.21 120.40 127.25 2dog s VAL 74 Ca 0.23 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2dog s VAL 74 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2dog s VAL 74 CO 0.14 0.48 -0.01 -0.31 0.00 0.00 0.00 175.10 175.40 2dog s TYR 75 N 0.07 2.94 0.32 5.22 1.51 -0.62 -3.29 117.35 123.51 2dog s TYR 75 Ca 0.09 -0.05 0.10 0.00 -1.01 0.00 0.00 57.07 56.20 2dog s TYR 75 Cb -0.11 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.18 2dog s TYR 75 CO -0.01 0.48 -0.05 0.00 -1.11 0.00 0.00 175.55 174.86 2dog s ALA 76 N -1.34 3.07 -0.22 3.71 0.00 0.88 -2.65 121.76 125.21 2dog s ALA 76 Ca 0.25 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 50.29 2dog s ALA 76 Cb -0.11 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.72 2dog s ALA 76 CO 0.18 0.13 -0.14 -2.00 0.00 0.00 0.00 175.76 173.92 2dog s GLU 77 N -3.65 2.47 0.48 0.00 2.12 -1.26 -1.77 118.70 117.08 2dog s GLU 77 Ca 0.33 -1.07 0.28 0.00 0.36 0.00 0.00 54.97 54.86 2dog s GLU 77 Cb -0.01 -2.69 1.34 0.00 0.26 0.00 0.00 34.13 33.03 2dog s GLU 77 CO 0.18 -0.42 1.81 0.28 -0.54 0.00 0.00 175.26 176.57 2dog h VAL 78 N 6.41 0.49 -1.17 3.70 2.07 -1.93 0.17 116.25 125.99 2dog h VAL 78 Ca -0.30 -0.06 0.37 0.00 0.82 0.00 0.00 66.70 67.53 2dog h VAL 78 Cb 1.09 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 31.02 2dog h VAL 78 CO 0.53 0.03 0.73 0.00 0.02 0.00 0.00 177.57 178.88 2dog h ALA 79 N 1.53 2.42 0.12 1.67 0.00 -1.94 0.50 119.26 123.56 2dog h ALA 79 Ca 0.55 0.13 -0.33 0.00 0.00 0.00 0.00 54.91 55.26 2dog h ALA 79 Cb 1.81 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2dog h ALA 79 CO -0.13 -1.01 -1.73 0.22 0.00 0.00 0.00 179.25 176.59 2dog h ASP 80 N 0.20 0.39 -2.65 0.00 3.58 -1.39 -3.48 116.42 113.08 2dog h ASP 80 Ca 0.76 -0.87 -0.59 0.00 0.42 0.00 0.00 57.03 56.74 2dog h ASP 80 Cb 2.13 -0.13 0.16 0.00 1.72 0.00 0.00 39.33 43.21 2dog h ASP 80 CO -0.46 1.75 -0.37 0.18 -2.88 0.00 0.00 179.24 177.47 2dog n LEU 81 N -3.72 0.43 -4.77 2.28 4.77 0.17 -4.91 117.00 111.23 2dog n LEU 81 Ca -0.29 0.85 -0.36 0.00 -0.03 0.00 0.00 56.01 56.18 2dog n LEU 81 Cb 0.97 -1.15 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2dog n LEU 81 CO 0.41 -2.88 0.80 -2.16 -1.33 0.00 0.00 177.39 172.23 2dog s PRO 82 N -1.80 3.50 0.26 3.23 0.04 -1.26 -4.95 135.00 134.01 2dog s PRO 82 Ca 0.65 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 2dog s PRO 82 Cb -0.53 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2dog s PRO 82 CO 0.57 -0.74 1.26 -1.25 0.04 0.00 0.00 177.00 176.88 2dog s PRO 83 N -3.07 4.43 0.00 0.56 0.04 -1.26 -4.90 135.00 130.80 2dog s PRO 83 Ca 0.69 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.76 2dog s PRO 83 Cb -0.26 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 2dog s PRO 83 CO 0.30 -0.14 2.59 1.28 0.04 0.00 0.00 177.00 181.07 2dog n LEU 84 N 1.77 5.19 -0.10 -3.56 7.99 -1.26 -5.31 117.00 121.72 2dog n LEU 84 Ca 0.03 -2.66 0.16 0.00 -0.01 0.00 0.00 56.01 53.52 2dog n LEU 84 Cb 0.43 -1.22 0.86 0.00 -0.11 0.00 0.00 43.42 43.38 2dog n LEU 84 CO 0.57 1.25 1.06 -0.62 -1.51 0.00 0.00 177.39 178.14