#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 3.34 0.32 0.03 6.06 -1.26 -4.96 118.95 122.48 2dog s ARG 2 Ca 0.00 -1.03 0.08 0.00 -2.50 0.00 0.00 55.73 52.28 2dog s ARG 2 Cb 0.00 -5.30 -0.04 0.00 0.06 0.00 0.00 34.95 29.67 2dog s ARG 2 CO 0.00 -2.58 0.18 -0.51 -2.50 0.00 0.00 175.30 169.89 2dog s LEU 3 N 6.40 3.43 -0.12 -0.88 1.43 -1.26 -3.85 118.68 123.82 2dog s LEU 3 Ca 0.54 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 2dog s LEU 3 Cb -0.01 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.29 2dog s LEU 3 CO -0.05 -0.24 0.42 0.68 0.23 0.00 0.00 176.35 177.39 2dog s VAL 4 N -2.34 0.01 -0.14 -1.59 -7.23 -0.58 -4.94 120.40 103.60 2dog s VAL 4 Ca 0.37 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 2dog s VAL 4 Cb -0.05 -0.63 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 2dog s VAL 4 CO 0.24 -0.06 1.27 -0.70 -0.31 0.00 0.00 175.10 175.54 2dog s GLU 5 N -0.20 4.25 -0.22 4.82 2.12 -1.26 0.08 118.70 128.29 2dog s GLU 5 Ca -0.04 1.69 0.04 0.00 0.36 0.00 0.00 54.97 57.02 2dog s GLU 5 Cb -0.03 -3.73 -0.16 0.00 0.26 0.00 0.00 34.13 30.47 2dog s GLU 5 CO 0.02 -0.66 -0.15 0.44 -0.54 0.00 0.00 175.26 174.36 2dog n ILE 6 N 5.23 1.28 -3.82 -3.70 -5.35 -1.16 -4.94 119.36 106.89 2dog n ILE 6 Ca 0.13 -0.54 -0.09 0.00 -0.27 0.00 0.00 62.75 61.99 2dog n ILE 6 Cb 0.45 -1.17 0.02 0.00 -1.74 0.00 0.00 39.64 37.20 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 -6.01 0.32 0.00 3.28 0.00 -1.25 -0.70 107.32 102.98 2dog s GLY 7 Ca -0.27 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2dog s GLY 7 CO 0.55 -0.29 -0.03 -1.60 0.00 0.00 0.00 173.10 171.74 2dog s ARG 8 N -2.55 0.21 -0.01 2.90 3.00 -0.68 -1.95 118.95 119.88 2dog s ARG 8 Ca 0.15 -0.18 -0.30 0.00 -1.00 0.00 0.00 55.73 54.40 2dog s ARG 8 Cb -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 34.95 34.71 2dog s ARG 8 CO 0.11 0.03 1.39 -0.06 0.00 0.00 0.00 175.30 176.78 2dog s PHE 9 N -0.29 2.86 0.00 5.12 0.08 -1.08 -2.12 117.98 122.54 2dog s PHE 9 Ca -0.02 0.83 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2dog s PHE 9 Cb -0.02 -3.65 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 2dog s PHE 9 CO -0.00 -2.41 0.00 0.41 -0.10 0.00 0.00 175.22 173.12 2dog n GLY 10 N 3.64 0.36 3.41 4.36 0.00 0.72 -2.91 105.19 114.77 2dog n GLY 10 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.30 2.48 -0.25 4.61 0.00 -1.26 -4.37 121.76 118.68 2dog s ALA 11 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 2dog s ALA 11 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2dog s ALA 11 CO 0.00 0.48 1.63 -1.25 0.00 0.00 0.00 175.76 176.62 2dog s PRO 12 N -2.41 3.72 1.14 0.00 0.04 -1.26 -1.73 135.00 134.49 2dog s PRO 12 Ca 0.18 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 2dog s PRO 12 Cb -0.09 -4.06 0.22 0.00 0.04 0.00 0.00 34.50 30.61 2dog s PRO 12 CO 0.08 -1.39 0.44 0.98 0.04 0.00 0.00 177.00 177.15 2dog n TYR 13 N 8.73 -2.53 -0.89 0.56 9.36 0.34 -4.89 117.16 127.84 2dog n TYR 13 Ca 0.19 -0.19 -0.36 0.00 3.32 0.00 0.00 57.90 60.87 2dog n TYR 13 Cb 0.46 -1.41 0.08 0.00 -0.63 0.00 0.00 39.34 37.84 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 -4.77 -4.90 0.05 2.98 0.00 -1.26 -4.50 120.51 108.11 2dog n ALA 14 Ca 0.07 -1.10 0.21 0.00 0.00 0.00 0.00 53.44 52.62 2dog n ALA 14 Cb 0.45 -1.19 0.68 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.35 0.00 -1.93 0.00 3.38 -1.93 -1.59 115.31 111.89 2dog h LEU 15 Ca -0.45 0.00 0.56 0.00 0.09 0.00 0.00 57.88 58.09 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 0.28 0.00 1.39 0.29 0.09 0.00 0.00 178.44 180.48 2dog n LYS 16 N -3.52 -0.00 0.00 1.13 4.76 -1.26 -3.84 118.16 115.43 2dog n LYS 16 Ca 0.10 1.06 0.00 0.00 -2.87 0.00 0.00 58.31 56.60 2dog n LYS 16 Cb 0.80 -2.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 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 -1.90 1.80 3.93 0.72 0.00 -0.60 -4.58 105.19 104.55 2dog n GLY 17 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 1.90 -0.15 -0.02 0.00 -1.24 -4.34 107.32 101.47 2dog s GLY 18 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2dog s GLY 18 CO 0.00 -0.80 -0.17 1.08 0.00 0.00 0.00 173.10 173.21 2dog s LEU 19 N -3.09 1.89 -0.42 0.66 1.43 -0.79 0.13 118.68 118.49 2dog s LEU 19 Ca 0.37 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 2dog s LEU 19 Cb -0.11 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2dog s LEU 19 CO 0.28 -0.00 2.10 -0.13 0.23 0.00 0.00 176.35 178.83 2dog s ARG 20 N 1.20 2.75 -0.31 1.70 0.52 -0.71 -0.91 118.95 123.20 2dog s ARG 20 Ca 0.00 1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 56.52 2dog s ARG 20 Cb -0.14 -4.40 0.02 0.00 0.52 0.00 0.00 34.95 30.95 2dog s ARG 20 CO -0.08 -2.55 0.10 0.12 0.02 0.00 0.00 175.30 172.91 2dog s PHE 21 N 9.34 3.18 -0.61 -0.53 5.36 0.19 -0.20 117.98 134.70 2dog s PHE 21 Ca 0.87 -1.04 -0.14 0.00 -0.96 0.00 0.00 56.93 55.66 2dog s PHE 21 Cb -0.21 -2.28 0.15 0.00 -0.34 0.00 0.00 43.02 40.35 2dog s PHE 21 CO 0.29 -0.60 0.55 1.03 -1.46 0.00 0.00 175.22 175.02 2dog s ARG 22 N 1.49 3.07 0.26 10.12 0.52 -0.90 -3.70 118.95 129.81 2dog s ARG 22 Ca 0.02 -1.96 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 2dog s ARG 22 Cb -0.18 -4.26 -0.03 0.00 0.52 0.00 0.00 34.95 31.00 2dog s ARG 22 CO 0.03 -1.29 0.25 0.20 0.02 0.00 0.00 175.30 174.51 2dog s GLY 23 N 2.95 1.65 0.79 -3.53 0.00 -1.26 -1.68 107.32 106.24 2dog s GLY 23 Ca 0.08 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.92 2dog s GLY 23 CO -0.01 -1.30 0.26 1.18 0.00 0.00 0.00 173.10 173.23 2dog n GLU 24 N -0.43 0.10 0.06 2.90 -0.58 0.13 -4.84 120.64 117.99 2dog n GLU 24 Ca 0.03 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 56.93 2dog n GLU 24 Cb 0.64 -1.65 0.39 0.00 -0.57 0.00 0.00 31.44 30.26 2dog n GLU 24 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2dog n PRO 25 N -0.29 0.09 0.25 3.49 -0.04 -1.26 -2.62 135.00 134.62 2dog n PRO 25 Ca 0.07 0.34 0.17 0.00 -0.04 0.00 0.00 63.50 64.04 2dog n PRO 25 Cb 0.51 -1.68 0.78 0.00 -0.04 0.00 0.00 33.50 33.08 2dog n PRO 25 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2dog h VAL 26 N 0.00 0.00 0.00 0.52 3.04 -1.99 -2.40 116.25 115.42 2dog h VAL 26 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2dog h VAL 26 Cb 0.30 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 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 0.00 0.00 1.51 3.04 -1.85 -0.62 116.25 118.33 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 0.28 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 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 -2.93 0.00 -0.15 3.16 4.77 -0.90 -1.65 117.00 119.29 2dog n LEU 28 Ca -0.02 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2dog n LEU 28 Cb 0.08 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2dog n LEU 28 CO 0.19 -0.11 0.36 1.41 -1.33 0.00 0.00 177.39 177.90 2dog n HIS 29 N -1.22 0.03 -3.42 -1.77 8.25 -0.24 -5.03 115.22 111.83 2dog n HIS 29 Ca 0.08 -0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 57.13 2dog n HIS 29 Cb 0.10 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.44 4.13 -0.21 2.41 1.43 -0.66 -4.89 118.68 120.44 2dog s LEU 30 Ca 0.05 0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 2dog s LEU 30 Cb 0.03 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 2dog s LEU 30 CO 0.04 -0.12 -0.26 -0.62 0.23 0.00 0.00 176.35 175.63 2dog n GLU 31 N -0.53 0.47 -4.49 1.70 -0.58 -1.26 -5.00 120.64 110.94 2dog n GLU 31 Ca -0.01 0.18 -0.31 0.00 -0.42 0.00 0.00 57.16 56.60 2dog n GLU 31 Cb 0.53 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 30.05 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 -2.40 2.22 0.33 3.49 1.70 -1.26 -1.83 118.95 121.21 2dog s ARG 32 Ca -0.30 -2.29 -0.01 0.00 -0.47 0.00 0.00 55.73 52.66 2dog s ARG 32 Cb 0.11 -1.70 -0.00 0.00 -0.57 0.00 0.00 34.95 32.78 2dog s ARG 32 CO 0.40 -0.45 0.43 0.14 -1.08 0.00 0.00 175.30 174.74 2dog s VAL 33 N -2.85 0.00 -0.12 4.99 -7.23 0.24 -4.72 120.40 110.70 2dog s VAL 33 Ca 0.14 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2dog s VAL 33 Cb 0.00 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.37 2dog s VAL 33 CO 0.08 0.00 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.34 2dog s TYR 34 N -3.18 1.42 -0.78 2.82 5.04 -1.12 -1.57 117.35 119.97 2dog s TYR 34 Ca 0.32 -0.74 -0.21 0.00 -2.44 0.00 0.00 57.07 54.00 2dog s TYR 34 Cb 0.00 -1.20 0.09 0.00 0.35 0.00 0.00 41.96 41.21 2dog s TYR 34 CO 0.21 -0.51 1.07 0.08 -1.34 0.00 0.00 175.55 175.06 2dog s VAL 35 N 1.73 4.41 -0.54 3.14 1.01 -0.62 -2.03 120.40 127.50 2dog s VAL 35 Ca 0.04 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 2dog s VAL 35 Cb -0.13 -4.76 -0.09 0.00 0.00 0.00 0.00 36.38 31.41 2dog s VAL 35 CO -0.08 -1.53 2.44 1.21 0.00 0.00 0.00 175.10 177.15 2dog n GLU 36 N 7.47 0.94 0.00 2.72 4.07 -0.62 -2.20 120.64 133.02 2dog n GLU 36 Ca 0.09 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2dog n GLU 36 Cb 0.47 -3.30 0.00 0.00 -0.06 0.00 0.00 31.44 28.56 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 6.07 3.61 0.04 8.31 0.00 -1.26 -4.26 105.19 117.70 2dog n GLY 37 Ca 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.93 -5.15 115.22 115.22 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 2.93 0.95 3.66 -1.41 0.00 -1.19 -5.04 105.19 105.09 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 -2.41 3.10 0.10 1.61 0.52 -1.26 -1.59 118.94 119.01 2dog s TRP 40 Ca 0.16 1.24 0.07 0.00 0.02 0.00 0.00 56.10 57.59 2dog s TRP 40 Cb -0.04 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.83 2dog s TRP 40 CO 0.10 -1.06 -0.11 1.03 0.02 0.00 0.00 176.95 176.93 2dog s ARG 41 N 3.38 2.08 0.31 4.98 1.81 -0.61 -4.88 118.95 126.02 2dog s ARG 41 Ca 0.49 -1.04 0.04 0.00 -1.72 0.00 0.00 55.73 53.50 2dog s ARG 41 Cb -0.18 -2.28 -0.02 0.00 -0.45 0.00 0.00 34.95 32.02 2dog s ARG 41 CO 0.11 0.51 0.46 0.00 -0.68 0.00 0.00 175.30 175.70 2dog s ALA 42 N -1.19 3.93 -0.17 2.13 0.00 -1.26 0.80 121.76 126.00 2dog s ALA 42 Ca 0.20 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 2dog s ALA 42 Cb -0.11 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 2dog s ALA 42 CO 0.13 0.05 0.15 0.42 0.00 0.00 0.00 175.76 176.51 2dog s ILE 43 N -2.17 5.42 -0.19 0.00 1.01 -0.76 -2.67 121.20 121.83 2dog s ILE 43 Ca 0.40 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2dog s ILE 43 Cb -0.09 -3.47 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 2dog s ILE 43 CO 0.32 0.48 -0.18 -0.62 0.00 0.00 0.00 174.94 174.95 2dog n GLU 44 N 3.09 0.47 -3.68 2.79 -0.58 -0.79 -4.81 120.64 117.13 2dog n GLU 44 Ca -0.17 0.12 -0.12 0.00 -0.42 0.00 0.00 57.16 56.57 2dog n GLU 44 Cb 0.53 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.95 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 -5.93 -0.63 0.14 1.62 -1.08 -1.22 -5.02 116.67 104.56 2dog s ASP 45 Ca -0.26 1.15 -0.19 0.00 -0.52 0.00 0.00 52.55 52.73 2dog s ASP 45 Cb 0.07 1.12 0.05 0.00 -1.46 0.00 0.00 42.92 42.70 2dog s ASP 45 CO 0.43 -0.20 0.49 -1.48 0.52 0.00 0.00 175.17 174.93 2dog s LEU 46 N 0.67 -0.04 -0.25 -1.34 0.05 -1.26 0.64 118.68 117.14 2dog s LEU 46 Ca -0.03 -0.17 -0.26 0.00 0.05 0.00 0.00 54.13 53.71 2dog s LEU 46 Cb -0.05 2.18 0.13 0.00 -2.05 0.00 0.00 46.19 46.41 2dog s LEU 46 CO -0.04 -0.91 1.09 -0.72 -0.55 0.00 0.00 176.35 175.22 2dog s TYR 47 N -3.78 -0.38 -0.75 3.48 -0.85 -1.15 -5.01 117.35 108.91 2dog s TYR 47 Ca 0.02 0.86 -0.27 0.00 -0.52 0.00 0.00 57.07 57.16 2dog s TYR 47 Cb 0.01 0.40 0.03 0.00 0.38 0.00 0.00 41.96 42.78 2dog s TYR 47 CO -0.12 -0.22 1.36 -0.98 -1.52 0.00 0.00 175.55 174.06 2dog s ARG 48 N -0.16 3.16 -0.49 -3.49 1.70 -1.26 -2.10 118.95 116.31 2dog s ARG 48 Ca 0.03 -0.22 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 2dog s ARG 48 Cb -0.04 -4.30 0.03 0.00 -0.57 0.00 0.00 34.95 30.08 2dog s ARG 48 CO -0.06 -2.22 1.10 0.08 -1.08 0.00 0.00 175.30 173.12 2dog s VAL 49 N 6.05 4.24 0.00 4.99 1.01 0.27 -4.81 120.40 132.16 2dog s VAL 49 Ca 0.39 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2dog s VAL 49 Cb -0.08 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2dog s VAL 49 CO 0.14 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2dog n GLY 50 N 4.90 0.87 1.51 4.51 0.00 -1.26 -0.53 105.19 115.19 2dog n GLY 50 Ca 0.10 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 2.31 -3.93 1.61 1.02 -1.26 -5.01 120.64 115.38 2dog n GLU 51 Ca 0.00 -3.41 -0.11 0.00 -0.02 0.00 0.00 57.16 53.62 2dog n GLU 51 Cb 0.00 -1.98 -0.01 0.00 -0.02 0.00 0.00 31.44 29.43 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 -3.40 2.00 0.01 3.49 2.02 0.31 -5.15 118.70 117.99 2dog s GLU 52 Ca 0.49 -1.48 0.03 0.00 0.02 0.00 0.00 54.97 54.03 2dog s GLU 52 Cb 0.42 0.55 -0.01 0.00 0.10 0.00 0.00 34.13 35.19 2dog s GLU 52 CO 0.00 -0.89 -0.10 -0.51 0.02 0.00 0.00 175.26 173.78 2dog s LEU 53 N -3.11 2.09 -0.27 1.80 1.43 -1.24 0.97 118.68 120.35 2dog s LEU 53 Ca 0.21 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2dog s LEU 53 Cb -0.03 -0.47 0.08 0.00 0.03 0.00 0.00 46.19 45.80 2dog s LEU 53 CO 0.14 0.05 0.01 -0.69 0.23 0.00 0.00 176.35 176.09 2dog s VAL 54 N -0.52 1.40 -0.06 -1.59 1.01 -0.89 0.55 120.40 120.30 2dog s VAL 54 Ca 0.01 -1.41 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 2dog s VAL 54 Cb -0.05 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2dog s VAL 54 CO 0.00 -0.35 0.38 -0.69 0.00 0.00 0.00 175.10 174.44 2dog s VAL 55 N 1.41 5.14 -0.50 2.92 1.01 -0.08 -2.96 120.40 127.33 2dog s VAL 55 Ca 0.02 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 2dog s VAL 55 Cb -0.18 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.63 2dog s VAL 55 CO -0.12 0.50 0.37 -1.00 0.00 0.00 0.00 175.10 174.86 2dog s HIS 56 N -0.48 3.46 0.43 5.22 3.76 0.21 -1.89 115.29 125.99 2dog s HIS 56 Ca 0.22 -1.99 -0.24 0.00 -0.15 0.00 0.00 55.06 52.91 2dog s HIS 56 Cb -0.15 -3.48 -0.08 0.00 1.11 0.00 0.00 32.58 29.97 2dog s HIS 56 CO 0.10 -0.98 1.13 -0.51 -0.85 0.00 0.00 174.74 173.63 2dog s LEU 57 N 1.15 4.08 0.20 0.89 1.43 -1.26 -1.89 118.68 123.27 2dog s LEU 57 Ca 0.08 2.22 -0.33 0.00 -1.03 0.00 0.00 54.13 55.07 2dog s LEU 57 Cb -0.25 -4.20 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 2dog s LEU 57 CO -0.02 -0.74 1.68 0.00 0.23 0.00 0.00 176.35 177.50 2dog n ALA 58 N -0.28 2.41 0.00 4.21 0.00 -1.09 -2.39 120.51 123.37 2dog n ALA 58 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2dog n ALA 58 Cb 0.48 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2dog n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dog n GLY 59 N 3.80 2.95 3.56 0.00 0.00 -1.26 -4.94 105.19 109.29 2dog n GLY 59 Ca 0.16 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.21 3.12 0.00 1.61 1.01 -1.00 -4.65 120.40 120.27 2dog s VAL 60 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2dog s VAL 60 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2dog s VAL 60 CO 0.00 -0.23 0.00 0.35 0.00 0.00 0.00 175.10 175.22 2dog n THR 61 N 7.74 0.00 -4.06 3.92 -2.24 -1.26 -4.67 114.28 113.71 2dog n THR 61 Ca 0.31 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.78 2dog n THR 61 Cb 0.52 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.42 5.56 0.23 3.42 1.47 -1.26 -2.57 116.67 121.10 2dog s ASP 62 Ca 0.00 0.02 -0.10 0.00 1.18 0.00 0.00 52.55 53.65 2dog s ASP 62 Cb 0.00 -1.52 0.34 0.00 -0.34 0.00 0.00 42.92 41.40 2dog s ASP 62 CO 0.00 0.19 1.62 -0.09 0.68 0.00 0.00 175.17 177.57 2dog h ARG 63 N 3.45 0.03 -0.13 2.11 2.43 -1.87 -1.93 114.38 118.48 2dog h ARG 63 Ca -0.47 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.72 2dog h ARG 63 Cb 1.17 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 2dog h ARG 63 CO 0.65 0.02 -0.35 1.15 -1.51 0.00 0.00 179.97 179.94 2dog h THR 64 N 0.03 0.00 -0.91 0.20 2.02 -1.95 0.26 112.91 112.57 2dog h THR 64 Ca 0.37 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.80 2dog h THR 64 Cb 0.60 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.86 2dog h THR 64 CO -0.71 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 175.39 2dog h LEU 65 N -0.34 0.06 -0.08 2.58 3.38 -1.78 0.14 115.31 119.26 2dog h LEU 65 Ca 0.03 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2dog h LEU 65 Cb 0.42 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2dog h LEU 65 CO -0.30 -0.18 0.02 0.00 0.09 0.00 0.00 178.44 178.07 2dog h ALA 66 N 1.81 0.10 -0.53 1.53 0.00 -0.69 -2.62 119.26 118.87 2dog h ALA 66 Ca 0.59 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.53 2dog h ALA 66 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2dog h ALA 66 CO -0.67 -0.27 0.44 0.93 0.00 0.00 0.00 179.25 179.68 2dog h GLU 67 N -0.08 0.00 0.00 0.00 5.08 0.22 0.46 114.58 120.26 2dog h GLU 67 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2dog h GLU 67 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2dog h GLU 67 CO 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 177.79 2dog h ALA 68 N 1.61 1.09 -0.29 3.43 0.00 -0.91 -2.77 119.26 121.42 2dog h ALA 68 Ca 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dog h ALA 68 Cb 1.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2dog h ALA 68 CO -0.00 0.28 -0.00 1.28 0.00 0.00 0.00 179.25 180.80 2dog n LEU 69 N -3.48 3.94 -4.67 0.00 4.77 0.16 -4.97 117.00 112.75 2dog n LEU 69 Ca -0.00 -3.21 -0.37 0.00 -0.03 0.00 0.00 56.01 52.40 2dog n LEU 69 Cb 0.39 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2dog n LEU 69 CO 0.33 0.81 0.00 -0.69 -1.33 0.00 0.00 177.39 176.51 2dog s VAL 70 N -2.94 5.26 0.00 4.08 1.01 -0.88 -4.24 120.40 122.69 2dog s VAL 70 Ca 0.43 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2dog s VAL 70 Cb 0.36 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2dog s VAL 70 CO 0.07 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2dog n GLY 71 N 3.97 2.64 3.46 4.51 0.00 -1.14 -5.03 105.19 113.60 2dog n GLY 71 Ca -0.11 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 0.53 -0.03 0.99 1.43 -1.26 -4.67 118.68 115.67 2dog s LEU 72 Ca 0.00 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 2dog s LEU 72 Cb 0.00 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2dog s LEU 72 CO 0.00 -4.39 -0.07 0.00 0.23 0.00 0.00 176.35 172.12 2dog s ARG 73 N -4.51 2.62 -0.14 1.70 1.70 -1.26 -2.64 118.95 116.42 2dog s ARG 73 Ca 0.69 -0.65 -0.08 0.00 -0.47 0.00 0.00 55.73 55.22 2dog s ARG 73 Cb -0.24 -2.53 -0.04 0.00 -0.57 0.00 0.00 34.95 31.57 2dog s ARG 73 CO 0.64 0.63 0.13 0.08 -1.08 0.00 0.00 175.30 175.70 2dog s VAL 74 N -0.91 5.41 0.23 4.99 1.01 -0.82 -1.59 120.40 128.72 2dog s VAL 74 Ca 0.15 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.40 2dog s VAL 74 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2dog s VAL 74 CO 0.05 0.57 -0.04 -0.31 0.00 0.00 0.00 175.10 175.36 2dog s TYR 75 N -0.61 2.68 0.21 5.22 1.51 -0.86 -2.99 117.35 122.51 2dog s TYR 75 Ca 0.13 -0.21 0.09 0.00 -1.01 0.00 0.00 57.07 56.06 2dog s TYR 75 Cb -0.12 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.45 2dog s TYR 75 CO 0.02 0.58 -0.18 0.00 -1.11 0.00 0.00 175.55 174.86 2dog s ALA 76 N -2.05 2.22 -0.18 3.71 0.00 0.11 -2.80 121.76 122.77 2dog s ALA 76 Ca 0.29 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2dog s ALA 76 Cb -0.08 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2dog s ALA 76 CO 0.18 0.20 -0.17 -2.00 0.00 0.00 0.00 175.76 173.97 2dog s GLU 77 N -3.26 3.10 0.65 0.00 2.12 -1.26 -1.52 118.70 118.52 2dog s GLU 77 Ca 0.22 -0.78 0.35 0.00 0.36 0.00 0.00 54.97 55.12 2dog s GLU 77 Cb -0.04 -2.64 1.95 0.00 0.26 0.00 0.00 34.13 33.67 2dog s GLU 77 CO 0.09 -0.14 2.14 0.28 -0.54 0.00 0.00 175.26 177.08 2dog h VAL 78 N 5.84 0.11 0.00 3.70 2.07 -1.96 -0.78 116.25 125.23 2dog h VAL 78 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2dog h VAL 78 Cb 1.16 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2dog h VAL 78 CO 0.61 0.00 0.11 0.00 0.02 0.00 0.00 177.57 178.31 2dog h ALA 79 N 1.69 1.08 0.00 1.67 0.00 -1.94 -2.20 119.26 119.56 2dog h ALA 79 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 2dog h ALA 79 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2dog h ALA 79 CO -0.00 -0.08 -2.06 -3.47 0.00 0.00 0.00 179.25 173.64 2dog n ASP 80 N -2.23 2.32 -4.25 0.00 -0.08 -0.30 -5.02 116.55 106.98 2dog n ASP 80 Ca -0.01 -0.03 -0.38 0.00 -1.51 0.00 0.00 54.79 52.86 2dog n ASP 80 Cb 0.14 -0.35 0.02 0.00 2.34 0.00 0.00 41.12 43.27 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 -3.22 -3.19 -4.77 -2.67 4.77 -0.83 -4.88 117.00 102.20 2dog n LEU 81 Ca -0.34 0.58 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 2dog n LEU 81 Cb 0.83 -0.90 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2dog n LEU 81 CO 0.15 -4.67 0.80 -2.16 -1.33 0.00 0.00 177.39 170.19 2dog s PRO 82 N -1.44 3.56 0.48 3.23 0.04 -1.26 -5.01 135.00 134.59 2dog s PRO 82 Ca 0.56 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 2dog s PRO 82 Cb -0.43 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 2dog s PRO 82 CO 0.67 -0.70 1.16 -1.25 0.04 0.00 0.00 177.00 176.92 2dog s PRO 83 N -2.99 3.68 -0.87 0.56 0.04 -1.26 -5.00 135.00 129.16 2dog s PRO 83 Ca 0.68 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.46 2dog s PRO 83 Cb -0.26 -2.33 0.22 0.00 0.04 0.00 0.00 34.50 32.17 2dog s PRO 83 CO 0.31 -0.61 0.79 1.28 0.04 0.00 0.00 177.00 178.81 2dog n LEU 84 N -0.64 4.16 0.00 -3.56 4.77 -1.26 -5.30 117.00 115.17 2dog n LEU 84 Ca 0.08 -5.17 0.00 0.00 -0.03 0.00 0.00 56.01 50.89 2dog n LEU 84 Cb 0.49 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2dog n LEU 84 CO 0.47 1.63 0.00 -0.62 -1.33 0.00 0.00 177.39 177.53