#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3o n GLY 15 N 0.00 -0.94 3.83 0.23 0.00 -1.26 -5.12 105.19 101.93 1u3o n GLY 15 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 46.02 46.71 1u3o n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u3o s GLY 16 N 0.64 0.06 -0.02 -0.02 0.00 -1.26 -5.17 107.32 101.55 1u3o s GLY 16 Ca 0.28 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1u3o s GLY 16 CO -0.09 1.18 -0.08 0.00 0.00 0.00 0.00 173.10 174.11 1u3o s GLU 18 N 0.07 1.02 0.03 0.00 2.56 -0.95 -4.91 118.70 116.51 1u3o s GLU 18 Ca -0.01 -0.97 -0.30 0.00 0.00 0.00 0.00 54.97 53.69 1u3o s GLU 18 Cb -0.06 -1.13 -0.04 0.00 2.00 0.00 0.00 34.13 34.90 1u3o s GLU 18 CO 0.00 0.27 1.06 -0.51 -0.56 0.00 0.00 175.26 175.52 1u3o s LEU 19 N -1.57 4.37 0.03 2.70 1.43 -1.26 0.19 118.68 124.57 1u3o s LEU 19 Ca 0.03 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1u3o s LEU 19 Cb -0.09 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1u3o s LEU 19 CO 0.03 -0.34 -0.01 0.28 0.23 0.00 0.00 176.35 176.54 1u3o s THR 20 N 1.01 0.15 -0.09 5.49 -1.32 -0.34 -4.84 115.64 115.69 1u3o s THR 20 Ca 0.54 -1.20 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1u3o s THR 20 Cb -0.24 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1u3o s THR 20 CO 0.29 -0.66 -0.20 0.68 -2.21 0.00 0.00 174.62 172.51 1u3o s VAL 21 N -2.34 2.45 0.04 5.08 -7.23 -1.26 -0.20 120.40 116.95 1u3o s VAL 21 Ca -0.08 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 1u3o s VAL 21 Cb -0.03 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1u3o s VAL 21 CO -0.04 0.56 1.20 0.68 -0.31 0.00 0.00 175.10 177.19 1u3o s VAL 22 N 0.02 4.08 -0.22 1.32 -7.23 -1.14 0.31 120.40 117.54 1u3o s VAL 22 Ca -0.07 1.48 0.18 0.00 -1.81 0.00 0.00 61.98 61.76 1u3o s VAL 22 Cb -0.15 -3.95 0.16 0.00 0.56 0.00 0.00 36.38 33.00 1u3o s VAL 22 CO 0.05 0.09 1.53 -0.07 -0.31 0.00 0.00 175.10 176.39 1u3o h LEU 23 N 7.07 0.00 -7.81 1.32 3.38 -1.36 -1.11 115.31 116.80 1u3o h LEU 23 Ca -0.40 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 1u3o h LEU 23 Cb 1.20 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 1u3o h LEU 23 CO 0.82 0.33 -0.56 0.00 0.09 0.00 0.00 178.44 179.12 1u3o s GLN 24 N -3.09 0.41 0.51 1.13 -2.07 -1.25 -4.75 119.66 110.55 1u3o s GLN 24 Ca 0.05 -0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 52.93 1u3o s GLN 24 Cb 0.07 0.17 -0.06 0.00 -1.09 0.00 0.00 33.01 32.09 1u3o s GLN 24 CO 0.71 -0.09 1.19 -0.51 -1.32 0.00 0.00 175.29 175.27 1u3o s ASP 25 N -1.34 5.82 0.03 12.60 1.11 -1.26 -4.11 116.67 129.51 1u3o s ASP 25 Ca -0.14 2.34 -0.07 0.00 0.18 0.00 0.00 52.55 54.86 1u3o s ASP 25 Cb -0.08 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.31 1u3o s ASP 25 CO 0.01 -1.16 0.14 0.12 1.18 0.00 0.00 175.17 175.45 1u3o s PHE 26 N -1.57 0.10 -0.03 4.23 5.36 1.00 -4.90 117.98 122.17 1u3o s PHE 26 Ca 0.69 -0.31 0.05 0.00 -0.96 0.00 0.00 56.93 56.40 1u3o s PHE 26 Cb -0.29 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.30 1u3o s PHE 26 CO 0.34 -0.36 -0.19 -1.54 -1.46 0.00 0.00 175.22 172.02 1u3o s SER 27 N -1.85 2.29 0.81 6.13 1.04 -1.26 0.12 113.70 120.98 1u3o s SER 27 Ca -0.09 -0.37 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 1u3o s SER 27 Cb -0.03 -0.48 0.12 0.00 0.10 0.00 0.00 66.02 65.73 1u3o s SER 27 CO -0.02 0.20 0.28 0.00 0.98 0.00 0.00 173.24 174.67 1u3o n ALA 28 N 2.91 -1.68 0.00 5.32 0.00 -1.08 -4.83 120.51 121.16 1u3o n ALA 28 Ca -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1u3o n ALA 28 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1u3o n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3o n ALA 29 N -3.36 0.00 -2.24 0.00 0.00 -1.26 -4.92 120.51 108.74 1u3o n ALA 29 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1u3o n ALA 29 Cb 0.19 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.66 1u3o n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u3o s HIS 30 N 0.00 1.63 0.00 0.00 5.04 -1.26 -5.01 115.29 115.69 1u3o s HIS 30 Ca 0.00 -0.77 0.00 0.00 -1.54 0.00 0.00 55.06 52.75 1u3o s HIS 30 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 32.58 30.57 1u3o s HIS 30 CO 0.00 -0.72 0.90 0.43 -2.34 0.00 0.00 174.74 173.02 1u3o n SER 31 N -1.94 0.00 -2.22 9.88 7.64 -1.26 -2.02 113.62 123.71 1u3o n SER 31 Ca 0.06 0.90 -0.24 0.00 1.01 0.00 0.00 58.87 60.60 1u3o n SER 31 Cb 0.63 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 1u3o n SER 31 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1u3o n SER 32 N -2.42 6.70 -4.79 6.43 2.88 -1.26 -4.93 113.62 116.23 1u3o n SER 32 Ca 0.00 -3.25 -0.27 0.00 -1.33 0.00 0.00 58.87 54.01 1u3o n SER 32 Cb 0.00 -1.11 -0.06 0.00 -0.75 0.00 0.00 64.21 62.29 1u3o n SER 32 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1u3o s GLU 33 N -2.17 2.87 0.20 -1.46 2.02 -0.86 -1.73 118.70 117.57 1u3o s GLU 33 Ca 0.46 -0.83 -0.14 0.00 0.02 0.00 0.00 54.97 54.49 1u3o s GLU 33 Cb 0.34 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.92 1u3o s GLU 33 CO -0.10 0.51 0.44 -0.48 0.02 0.00 0.00 175.26 175.64 1u3o s LEU 34 N -2.90 0.42 -0.17 1.80 0.05 -1.24 -4.68 118.68 111.97 1u3o s LEU 34 Ca 0.30 -0.71 -0.21 0.00 0.05 0.00 0.00 54.13 53.57 1u3o s LEU 34 Cb -0.11 1.75 -0.03 0.00 -2.05 0.00 0.00 46.19 45.76 1u3o s LEU 34 CO 0.23 -1.02 0.62 -0.94 -0.55 0.00 0.00 176.35 174.68 1u3o s SER 35 N -2.94 6.72 0.29 1.48 1.04 -1.26 -2.63 113.70 116.40 1u3o s SER 35 Ca 0.15 0.87 0.06 0.00 0.48 0.00 0.00 55.95 57.51 1u3o s SER 35 Cb 0.00 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.72 1u3o s SER 35 CO 0.01 -0.22 -0.05 0.27 0.98 0.00 0.00 173.24 174.23 1u3o s ILE 36 N 1.63 1.62 0.05 -1.02 -0.00 0.33 -4.95 121.20 118.85 1u3o s ILE 36 Ca 0.29 -2.11 0.04 0.00 -0.00 0.00 0.00 60.65 58.87 1u3o s ILE 36 Cb -0.16 -2.48 -0.02 0.00 -0.00 0.00 0.00 42.46 39.79 1u3o s ILE 36 CO 0.11 -0.27 -0.13 -1.10 -0.00 0.00 0.00 174.94 173.55 1u3o s GLN 37 N -3.74 0.82 0.14 0.37 -0.21 -1.26 -0.00 119.66 115.78 1u3o s GLN 37 Ca 0.30 -0.78 -0.31 0.00 0.02 0.00 0.00 55.36 54.59 1u3o s GLN 37 Cb 0.04 -0.80 -0.11 0.00 1.00 0.00 0.00 33.01 33.14 1u3o s GLN 37 CO 0.12 0.19 1.81 0.54 -2.12 0.00 0.00 175.29 175.83 1u3o s VAL 38 N -0.99 2.46 0.00 1.09 0.11 -1.26 -2.81 120.40 119.00 1u3o s VAL 38 Ca -0.01 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1u3o s VAL 38 Cb -0.08 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1u3o s VAL 38 CO 0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1u3o n GLY 39 N 4.19 1.96 3.80 6.54 0.00 -0.42 -4.93 105.19 116.34 1u3o n GLY 39 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1u3o n GLY 39 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u3o s GLN 40 N -0.17 1.38 -0.14 1.61 -2.07 -1.12 -4.87 119.66 114.28 1u3o s GLN 40 Ca 0.00 0.31 0.02 0.00 -1.82 0.00 0.00 55.36 53.87 1u3o s GLN 40 Cb 0.00 -1.87 0.01 0.00 -1.09 0.00 0.00 33.01 30.07 1u3o s GLN 40 CO 0.00 -2.04 -0.20 0.99 -1.32 0.00 0.00 175.29 172.72 1u3o s THR 41 N -3.31 1.95 -0.02 3.63 2.01 -1.26 -2.90 115.64 115.74 1u3o s THR 41 Ca 0.63 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1u3o s THR 41 Cb -0.14 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.63 1u3o s THR 41 CO 0.53 0.53 0.06 -0.69 -0.69 0.00 0.00 174.62 174.35 1u3o s VAL 42 N 0.99 0.01 0.10 3.82 1.01 0.72 -4.96 120.40 122.08 1u3o s VAL 42 Ca -0.04 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1u3o s VAL 42 Cb -0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 1u3o s VAL 42 CO -0.05 -0.03 1.02 -1.83 0.00 0.00 0.00 175.10 174.21 1u3o s GLU 43 N -0.07 4.61 0.40 2.72 -1.05 -1.24 -1.20 118.70 122.88 1u3o s GLU 43 Ca -0.01 1.54 -0.23 0.00 -0.15 0.00 0.00 54.97 56.12 1u3o s GLU 43 Cb -0.01 -3.37 -0.09 0.00 -0.44 0.00 0.00 34.13 30.22 1u3o s GLU 43 CO 0.00 0.07 1.02 -0.48 0.95 0.00 0.00 175.26 176.82 1u3o s LEU 44 N 0.26 4.10 -0.08 1.83 0.05 0.50 0.12 118.68 125.45 1u3o s LEU 44 Ca 0.50 1.94 -0.20 0.00 0.05 0.00 0.00 54.13 56.42 1u3o s LEU 44 Cb -0.25 -4.27 -0.16 0.00 -2.05 0.00 0.00 46.19 39.46 1u3o s LEU 44 CO 0.30 -0.45 0.72 -0.07 -0.55 0.00 0.00 176.35 176.30 1u3o h LEU 45 N 2.38 -0.09 0.00 1.48 3.38 -1.83 -2.53 115.31 118.09 1u3o h LEU 45 Ca -0.48 -0.48 -0.24 0.00 0.09 0.00 0.00 57.88 56.76 1u3o h LEU 45 Cb 1.21 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 1u3o h LEU 45 CO 0.62 0.57 -0.23 -1.84 0.09 0.00 0.00 178.44 177.65 1u3o n GLU 46 N -4.81 0.31 -4.17 1.13 0.28 -1.26 -4.36 120.64 107.76 1u3o n GLU 46 Ca -0.07 -1.67 -0.24 0.00 -0.16 0.00 0.00 57.16 55.02 1u3o n GLU 46 Cb 0.28 1.27 -0.07 0.00 1.43 0.00 0.00 31.44 34.35 1u3o n GLU 46 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1u3o s ARG 47 N -2.69 2.22 -0.85 3.44 0.52 -1.26 -4.38 118.95 115.94 1u3o s ARG 47 Ca 0.18 -1.79 -0.07 0.00 -0.52 0.00 0.00 55.73 53.53 1u3o s ARG 47 Cb 0.01 -1.99 -0.13 0.00 0.52 0.00 0.00 34.95 33.36 1u3o s ARG 47 CO 0.13 -0.04 2.78 -0.35 0.02 0.00 0.00 175.30 177.84 1u3o n PRO 48 N -1.17 2.53 -0.03 3.54 -0.04 -1.26 -4.36 135.00 134.21 1u3o n PRO 48 Ca -0.02 -1.50 -0.19 0.00 -0.04 0.00 0.00 63.50 61.75 1u3o n PRO 48 Cb 0.64 -2.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 1u3o n PRO 48 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1u3o h SER 49 N 4.80 0.21 0.31 3.54 0.87 -1.95 -3.36 113.55 117.98 1u3o h SER 49 Ca 0.51 -0.84 -0.33 0.00 -1.23 0.00 0.00 61.79 59.91 1u3o h SER 49 Cb 0.60 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1u3o h SER 49 CO 1.15 1.39 -1.67 1.05 -0.53 0.00 0.00 176.83 178.21 1u3o h GLU 50 N -0.65 0.31 -5.02 2.24 4.11 -2.02 -3.44 114.58 110.11 1u3o h GLU 50 Ca -0.21 -0.53 -0.67 0.00 0.07 0.00 0.00 59.36 58.03 1u3o h GLU 50 Cb 1.44 0.20 -0.34 0.00 0.50 0.00 0.00 28.75 30.55 1u3o h GLU 50 CO 0.00 1.19 -0.83 0.50 0.07 0.00 0.00 179.01 179.94 1u3o s ARG 51 N -2.59 2.92 -0.39 1.06 3.52 -1.26 -5.10 118.95 117.10 1u3o s ARG 51 Ca -0.13 -0.89 -0.20 0.00 -0.13 0.00 0.00 55.73 54.38 1u3o s ARG 51 Cb 0.06 -2.69 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1u3o s ARG 51 CO 0.85 -0.27 0.61 -1.25 -0.81 0.00 0.00 175.30 174.43 1u3o s PRO 52 N 1.29 3.48 0.00 5.12 0.04 -1.26 -3.91 135.00 139.76 1u3o s PRO 52 Ca 0.03 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1u3o s PRO 52 Cb -0.14 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1u3o s PRO 52 CO -0.10 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1u3o n GLY 53 N 4.86 1.15 3.77 0.56 0.00 -1.26 -5.06 105.19 109.21 1u3o n GLY 53 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1u3o n GLY 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u3o s TRP 54 N -2.00 2.82 0.05 1.61 1.48 -1.25 0.19 118.94 121.84 1u3o s TRP 54 Ca 0.00 -0.30 -0.22 0.00 -1.06 0.00 0.00 56.10 54.52 1u3o s TRP 54 Cb 0.00 -1.60 0.05 0.00 -1.16 0.00 0.00 33.47 30.76 1u3o s TRP 54 CO 0.00 0.35 0.51 0.00 -4.06 0.00 0.00 176.95 173.75 1u3o s LEU 56 N -2.02 3.10 -0.04 0.00 1.02 -1.26 -1.68 118.68 117.79 1u3o s LEU 56 Ca -0.05 -0.71 -0.00 0.00 0.02 0.00 0.00 54.13 53.38 1u3o s LEU 56 Cb -0.01 -1.62 0.03 0.00 0.02 0.00 0.00 46.19 44.62 1u3o s LEU 56 CO -0.02 -0.01 0.01 0.68 0.02 0.00 0.00 176.35 177.03 1u3o s VAL 57 N -2.36 0.19 -0.11 -1.59 -7.23 0.58 -3.70 120.40 106.18 1u3o s VAL 57 Ca 0.31 0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.58 1u3o s VAL 57 Cb -0.06 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1u3o s VAL 57 CO 0.19 0.19 0.12 -0.60 -0.31 0.00 0.00 175.10 174.68 1u3o s ARG 58 N 1.49 3.35 -0.23 4.82 6.06 0.32 0.17 118.95 134.93 1u3o s ARG 58 Ca -0.03 -0.19 -0.11 0.00 -2.50 0.00 0.00 55.73 52.90 1u3o s ARG 58 Cb -0.13 -3.11 -0.05 0.00 0.06 0.00 0.00 34.95 31.72 1u3o s ARG 58 CO -0.03 0.76 0.18 0.99 -2.50 0.00 0.00 175.30 174.70 1u3o s THR 59 N -1.01 5.36 -0.04 4.11 2.01 0.12 -3.69 115.64 122.50 1u3o s THR 59 Ca 0.15 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1u3o s THR 59 Cb -0.12 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1u3o s THR 59 CO 0.04 0.36 0.04 1.07 -0.69 0.00 0.00 174.62 175.44 1u3o n THR 60 N 4.11 0.00 0.91 -0.82 5.66 -1.26 -1.88 114.28 121.00 1u3o n THR 60 Ca -0.15 -0.32 0.04 0.00 -3.05 0.00 0.00 64.05 60.58 1u3o n THR 60 Cb 0.52 0.82 0.13 0.00 -1.55 0.00 0.00 70.33 70.25 1u3o n THR 60 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1u3o n GLU 61 N -1.21 1.84 -3.44 1.09 2.13 -1.26 -4.51 120.64 115.28 1u3o n GLU 61 Ca 0.00 -1.04 -0.22 0.00 0.66 0.00 0.00 57.16 56.56 1u3o n GLU 61 Cb 0.02 -1.36 -0.11 0.00 0.27 0.00 0.00 31.44 30.26 1u3o n GLU 61 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1u3o s ARG 62 N -1.64 0.37 0.01 5.31 3.52 -1.26 -5.13 118.95 120.13 1u3o s ARG 62 Ca 0.19 -0.55 -0.26 0.00 -0.13 0.00 0.00 55.73 54.98 1u3o s ARG 62 Cb 0.11 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 1u3o s ARG 62 CO 0.11 -1.08 0.81 -1.12 -0.81 0.00 0.00 175.30 173.20 1u3o s SER 63 N 1.93 7.21 0.60 -2.12 0.01 -1.26 -2.82 113.70 117.25 1u3o s SER 63 Ca 0.12 1.45 -0.16 0.00 1.31 0.00 0.00 55.95 58.67 1u3o s SER 63 Cb -0.16 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1u3o s SER 63 CO -0.24 -0.08 1.07 -2.16 0.41 0.00 0.00 173.24 172.23 1u3o s PRO 64 N 0.40 3.26 0.99 12.44 0.04 -1.26 -5.12 135.00 145.76 1u3o s PRO 64 Ca 0.42 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1u3o s PRO 64 Cb -0.20 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 1u3o s PRO 64 CO 0.23 -0.86 -0.43 -2.30 0.04 0.00 0.00 177.00 173.69 1u3o n PRO 65 N -2.03 -0.16 -4.41 0.56 -0.02 -1.13 -5.01 135.00 122.80 1u3o n PRO 65 Ca 0.09 -0.03 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 1u3o n PRO 65 Cb 0.53 -1.31 -0.10 0.00 -0.02 0.00 0.00 33.50 32.60 1u3o n PRO 65 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1u3o s GLN 66 N -2.59 1.59 0.04 -0.52 -0.21 -0.79 -4.91 119.66 112.27 1u3o s GLN 66 Ca 0.46 -1.88 0.02 0.00 0.02 0.00 0.00 55.36 53.97 1u3o s GLN 66 Cb -0.17 -0.69 -0.02 0.00 1.00 0.00 0.00 33.01 33.13 1u3o s GLN 66 CO 0.76 -0.23 -0.07 -1.21 -2.12 0.00 0.00 175.29 172.43 1u3o s GLU 67 N -3.93 0.48 0.04 2.91 2.02 -1.26 0.16 118.70 119.12 1u3o s GLU 67 Ca 0.37 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.64 1u3o s GLU 67 Cb 0.08 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.07 1u3o s GLU 67 CO 0.15 0.03 -0.04 0.20 0.02 0.00 0.00 175.26 175.63 1u3o s GLY 68 N -1.51 0.37 -0.04 -1.39 0.00 0.44 -3.04 107.32 102.15 1u3o s GLY 68 Ca -0.11 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1u3o s GLY 68 CO 0.00 -0.95 -0.07 1.08 0.00 0.00 0.00 173.10 173.17 1u3o s LEU 69 N -2.07 1.57 0.31 0.66 1.02 -1.21 -0.31 118.68 118.66 1u3o s LEU 69 Ca -0.06 -0.16 -0.19 0.00 0.02 0.00 0.00 54.13 53.74 1u3o s LEU 69 Cb -0.03 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 45.71 1u3o s LEU 69 CO -0.04 0.00 0.75 0.68 0.02 0.00 0.00 176.35 177.76 1u3o s VAL 70 N 0.56 0.00 0.40 -1.59 -7.23 -0.68 -4.89 120.40 106.98 1u3o s VAL 70 Ca -0.08 -0.99 -0.07 0.00 -1.81 0.00 0.00 61.98 59.02 1u3o s VAL 70 Cb -0.12 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1u3o s VAL 70 CO 0.01 0.00 0.72 -2.16 -0.31 0.00 0.00 175.10 173.36 1u3o s PRO 71 N -3.36 3.66 0.57 4.82 0.04 -1.26 -0.33 135.00 139.14 1u3o s PRO 71 Ca 0.13 0.25 0.37 0.00 0.04 0.00 0.00 61.00 61.79 1u3o s PRO 71 Cb -0.06 -2.45 1.47 0.00 0.04 0.00 0.00 34.50 33.51 1u3o s PRO 71 CO 0.08 -0.03 1.68 1.03 0.04 0.00 0.00 177.00 179.80 1u3o h SER 72 N 0.98 0.00 -0.24 6.66 0.87 0.18 0.48 113.55 122.49 1u3o h SER 72 Ca -0.47 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1u3o h SER 72 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1u3o h SER 72 CO 0.63 0.00 0.17 -1.28 -0.53 0.00 0.00 176.83 175.83 1u3o h SER 73 N 0.00 0.05 -0.29 6.23 0.87 -1.92 -0.72 113.55 117.76 1u3o h SER 73 Ca 0.59 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1u3o h SER 73 Cb 2.57 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.52 1u3o h SER 73 CO -0.01 0.03 0.00 0.35 -0.53 0.00 0.00 176.83 176.68 1u3o n THR 74 N -4.48 0.54 -4.07 2.23 -2.24 0.17 -4.41 114.28 102.02 1u3o n THR 74 Ca 0.03 -0.77 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 1u3o n THR 74 Cb 0.28 0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 69.24 1u3o n THR 74 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u3o s LEU 75 N -1.18 1.45 -0.12 3.22 1.02 -0.28 -1.14 118.68 121.66 1u3o s LEU 75 Ca 0.28 -0.08 -0.33 0.00 0.02 0.00 0.00 54.13 54.02 1u3o s LEU 75 Cb 0.16 -0.31 -0.10 0.00 0.02 0.00 0.00 46.19 45.96 1u3o s LEU 75 CO 0.22 -0.04 1.97 0.00 0.02 0.00 0.00 176.35 178.53 1u3o s ILE 77 N 5.04 1.51 -0.17 0.00 -4.36 -1.26 -4.66 121.20 117.30 1u3o s ILE 77 Ca 0.95 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1u3o s ILE 77 Cb -0.63 -2.73 0.05 0.00 1.25 0.00 0.00 42.46 40.39 1u3o s ILE 77 CO 0.48 0.00 -0.02 -0.44 0.24 0.00 0.00 174.94 175.20 1u3o s SER 78 N -3.68 2.82 0.25 4.36 0.01 -1.26 -5.13 113.70 111.07 1u3o s SER 78 Ca 0.29 -0.69 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 1u3o s SER 78 Cb 0.07 -0.80 -0.08 0.00 0.21 0.00 0.00 66.02 65.42 1u3o s SER 78 CO 0.14 -0.22 0.73 -1.00 0.41 0.00 0.00 173.24 173.30 1u3o s HIS 79 N 1.70 3.56 -2.00 2.43 3.76 -1.26 -5.18 115.29 118.31 1u3o s HIS 79 Ca 0.00 1.34 0.19 0.00 -0.15 0.00 0.00 55.06 56.44 1u3o s HIS 79 Cb -0.16 -2.59 1.16 0.00 1.11 0.00 0.00 32.58 32.10 1u3o s HIS 79 CO -0.07 0.26 1.55 -1.13 -0.85 0.00 0.00 174.74 174.50