#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3o s GLY 15 N 0.00 -0.04 -0.40 0.46 0.00 -1.26 -4.98 107.32 101.10 1u3o s GLY 15 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 44.72 45.00 1u3o s GLY 15 CO 0.00 0.48 0.50 0.61 0.00 0.00 0.00 173.10 174.69 1u3o n GLY 16 N 3.45 -1.17 2.98 0.20 0.00 -1.26 -4.96 105.19 104.43 1u3o n GLY 16 Ca -0.18 0.87 -0.19 0.00 0.00 0.00 0.00 46.02 46.53 1u3o n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3o s GLU 18 N 0.13 1.03 0.04 0.00 2.12 -0.94 -4.90 118.70 116.18 1u3o s GLU 18 Ca -0.02 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 1u3o s GLU 18 Cb -0.07 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 1u3o s GLU 18 CO 0.00 0.27 1.04 -0.51 -0.54 0.00 0.00 175.26 175.52 1u3o s LEU 19 N -1.50 4.39 0.03 2.70 1.43 -1.26 0.20 118.68 124.67 1u3o s LEU 19 Ca 0.03 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1u3o s LEU 19 Cb -0.09 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1u3o s LEU 19 CO 0.02 -0.29 -0.01 0.28 0.23 0.00 0.00 176.35 176.58 1u3o s THR 20 N 0.85 0.14 -0.10 5.49 -1.32 -0.28 -4.85 115.64 115.57 1u3o s THR 20 Ca 0.53 -1.19 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1u3o s THR 20 Cb -0.24 -0.73 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1u3o s THR 20 CO 0.29 -0.66 -0.12 0.68 -2.21 0.00 0.00 174.62 172.60 1u3o s VAL 21 N -2.34 3.16 0.05 5.08 -7.23 -1.26 -0.57 120.40 117.28 1u3o s VAL 21 Ca -0.08 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 1u3o s VAL 21 Cb -0.03 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1u3o s VAL 21 CO -0.04 0.55 1.08 0.68 -0.31 0.00 0.00 175.10 177.06 1u3o s VAL 22 N -0.14 4.38 -0.36 1.32 -7.23 -1.16 -0.47 120.40 116.74 1u3o s VAL 22 Ca -0.00 1.77 0.23 0.00 -1.81 0.00 0.00 61.98 62.16 1u3o s VAL 22 Cb -0.13 -4.13 0.18 0.00 0.56 0.00 0.00 36.38 32.86 1u3o s VAL 22 CO 0.03 0.17 1.36 -0.07 -0.31 0.00 0.00 175.10 176.28 1u3o h LEU 23 N 6.50 0.00 -7.78 1.32 3.38 -1.59 -1.30 115.31 115.83 1u3o h LEU 23 Ca -0.42 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.40 1u3o h LEU 23 Cb 1.22 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.76 1u3o h LEU 23 CO 0.77 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 178.78 1u3o s GLN 24 N -3.28 0.45 0.48 1.13 -2.07 -1.26 -4.77 119.66 110.34 1u3o s GLN 24 Ca 0.04 -0.41 -0.22 0.00 -1.82 0.00 0.00 55.36 52.95 1u3o s GLN 24 Cb 0.07 0.18 -0.07 0.00 -1.09 0.00 0.00 33.01 32.11 1u3o s GLN 24 CO 0.72 -0.10 1.15 -0.51 -1.32 0.00 0.00 175.29 175.23 1u3o s ASP 25 N -1.34 6.06 0.03 12.60 1.11 -1.26 -4.10 116.67 129.77 1u3o s ASP 25 Ca -0.14 2.27 -0.07 0.00 0.18 0.00 0.00 52.55 54.78 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 -0.99 0.14 0.12 1.18 0.00 0.00 175.17 175.63 1u3o s PHE 26 N -1.61 0.12 -0.03 4.23 5.36 0.47 -4.90 117.98 121.62 1u3o s PHE 26 Ca 0.66 -0.34 0.04 0.00 -0.96 0.00 0.00 56.93 56.33 1u3o s PHE 26 Cb -0.27 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.32 1u3o s PHE 26 CO 0.32 -0.37 -0.15 -1.54 -1.46 0.00 0.00 175.22 172.02 1u3o s SER 27 N -1.92 1.90 0.75 6.13 1.04 -1.26 0.12 113.70 120.45 1u3o s SER 27 Ca -0.08 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 1u3o s SER 27 Cb -0.03 -0.37 0.10 0.00 0.10 0.00 0.00 66.02 65.82 1u3o s SER 27 CO -0.03 0.16 0.23 0.00 0.98 0.00 0.00 173.24 174.59 1u3o n ALA 28 N 2.94 -1.43 0.00 5.32 0.00 -1.13 -4.82 120.51 121.40 1u3o n ALA 28 Ca -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1u3o n ALA 28 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.09 0.00 -2.13 0.00 0.00 -1.26 -4.92 120.51 109.10 1u3o n ALA 29 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1u3o n ALA 29 Cb 0.16 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 1.74 0.11 0.00 5.04 -1.26 -5.00 115.29 115.92 1u3o s HIS 30 Ca 0.00 -0.69 -0.31 0.00 -1.54 0.00 0.00 55.06 52.51 1u3o s HIS 30 Cb 0.00 -2.16 -0.11 0.00 0.04 0.00 0.00 32.58 30.36 1u3o s HIS 30 CO 0.00 -0.82 1.59 0.77 -2.34 0.00 0.00 174.74 173.94 1u3o h SER 31 N 0.44 -1.24 -0.67 9.88 0.02 -2.01 -2.27 113.55 117.70 1u3o h SER 31 Ca -0.34 0.13 -0.40 0.00 -0.84 0.00 0.00 61.79 60.35 1u3o h SER 31 Cb 1.29 0.46 -0.20 0.00 0.14 0.00 0.00 62.40 64.09 1u3o h SER 31 CO 0.47 -0.50 0.52 -1.54 -1.14 0.00 0.00 176.83 174.64 1u3o n SER 32 N -5.47 5.28 -4.80 3.07 3.41 -1.26 -4.93 113.62 108.92 1u3o n SER 32 Ca -0.07 -3.21 -0.25 0.00 -0.26 0.00 0.00 58.87 55.07 1u3o n SER 32 Cb 0.38 -0.88 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 1u3o n SER 32 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u3o s GLU 33 N -2.39 2.89 0.18 4.33 2.02 -0.86 -2.99 118.70 121.89 1u3o s GLU 33 Ca 0.41 -0.91 -0.16 0.00 0.02 0.00 0.00 54.97 54.33 1u3o s GLU 33 Cb 0.33 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.96 1u3o s GLU 33 CO 0.03 0.47 0.46 -0.48 0.02 0.00 0.00 175.26 175.76 1u3o s LEU 34 N -3.24 0.28 -0.04 1.80 0.05 -1.26 -4.70 118.68 111.56 1u3o s LEU 34 Ca 0.31 -0.53 -0.20 0.00 0.05 0.00 0.00 54.13 53.76 1u3o s LEU 34 Cb -0.10 1.93 -0.05 0.00 -2.05 0.00 0.00 46.19 45.93 1u3o s LEU 34 CO 0.24 -1.00 0.56 -0.94 -0.55 0.00 0.00 176.35 174.65 1u3o s SER 35 N -2.88 6.88 0.25 1.48 1.04 -1.26 -2.82 113.70 116.38 1u3o s SER 35 Ca 0.10 1.05 0.02 0.00 0.48 0.00 0.00 55.95 57.59 1u3o s SER 35 Cb 0.00 -2.34 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1u3o s SER 35 CO -0.03 0.07 0.07 0.27 0.98 0.00 0.00 173.24 174.59 1u3o s ILE 36 N 0.08 0.68 0.04 -1.02 -5.25 0.32 -4.95 121.20 111.12 1u3o s ILE 36 Ca 0.30 -2.00 0.04 0.00 -0.99 0.00 0.00 60.65 58.00 1u3o s ILE 36 Cb -0.17 -2.53 -0.02 0.00 2.95 0.00 0.00 42.46 42.69 1u3o s ILE 36 CO 0.15 -0.12 -0.12 -1.10 -1.79 0.00 0.00 174.94 171.96 1u3o s GLN 37 N -3.98 0.76 0.01 0.37 -0.21 -1.26 -0.39 119.66 114.96 1u3o s GLN 37 Ca 0.34 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 1u3o s GLN 37 Cb 0.07 -0.72 -0.08 0.00 1.00 0.00 0.00 33.01 33.29 1u3o s GLN 37 CO 0.12 0.17 1.82 0.54 -2.12 0.00 0.00 175.29 175.81 1u3o s VAL 38 N -1.03 3.21 0.00 1.09 0.11 -1.26 -2.87 120.40 119.65 1u3o s VAL 38 Ca -0.02 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1u3o s VAL 38 Cb -0.08 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1u3o s VAL 38 CO 0.01 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 1u3o n GLY 39 N 4.33 1.47 3.78 6.54 0.00 -0.49 -4.93 105.19 115.88 1u3o n GLY 39 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.03 0.78 -0.19 1.61 -2.07 -1.14 -4.85 119.66 113.77 1u3o s GLN 40 Ca 0.00 0.16 0.01 0.00 -1.82 0.00 0.00 55.36 53.71 1u3o s GLN 40 Cb 0.00 -1.81 0.02 0.00 -1.09 0.00 0.00 33.01 30.13 1u3o s GLN 40 CO 0.00 -2.42 -0.19 0.99 -1.32 0.00 0.00 175.29 172.36 1u3o s THR 41 N -3.32 2.04 -0.00 3.63 2.01 -1.26 -2.99 115.64 115.74 1u3o s THR 41 Ca 0.66 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1u3o s THR 41 Cb -0.13 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1u3o s THR 41 CO 0.54 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.17 1u3o s VAL 42 N 1.28 0.64 0.10 3.82 1.01 0.26 -4.96 120.40 122.55 1u3o s VAL 42 Ca 0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1u3o s VAL 42 Cb -0.14 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1u3o s VAL 42 CO -0.12 0.17 0.99 -1.83 0.00 0.00 0.00 175.10 174.30 1u3o s GLU 43 N -0.23 4.65 0.39 2.72 -1.05 -1.24 -1.13 118.70 122.82 1u3o s GLU 43 Ca 0.03 1.48 -0.23 0.00 -0.15 0.00 0.00 54.97 56.10 1u3o s GLU 43 Cb -0.03 -3.38 -0.10 0.00 -0.44 0.00 0.00 34.13 30.18 1u3o s GLU 43 CO -0.00 0.14 0.99 -0.48 0.95 0.00 0.00 175.26 176.86 1u3o s LEU 44 N 0.18 4.12 -0.12 1.83 2.34 0.53 0.85 118.68 128.41 1u3o s LEU 44 Ca 0.48 1.88 -0.16 0.00 0.06 0.00 0.00 54.13 56.40 1u3o s LEU 44 Cb -0.24 -4.26 -0.14 0.00 -0.56 0.00 0.00 46.19 40.99 1u3o s LEU 44 CO 0.30 -0.37 0.45 -0.07 -1.06 0.00 0.00 176.35 175.60 1u3o h LEU 45 N 2.45 -0.01 0.00 1.48 3.38 -1.82 -2.50 115.31 118.27 1u3o h LEU 45 Ca -0.48 -0.53 -0.18 0.00 0.09 0.00 0.00 57.88 56.78 1u3o h LEU 45 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1u3o h LEU 45 CO 0.62 0.74 -0.16 -1.84 0.09 0.00 0.00 178.44 177.90 1u3o n GLU 46 N -4.71 0.69 -4.57 1.13 0.28 -1.26 -4.39 120.64 107.82 1u3o n GLU 46 Ca -0.06 -1.16 -0.27 0.00 -0.16 0.00 0.00 57.16 55.51 1u3o n GLU 46 Cb 0.26 0.69 -0.11 0.00 1.43 0.00 0.00 31.44 33.72 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 -2.51 1.93 -0.83 3.44 0.52 -1.26 -4.47 118.95 115.76 1u3o s ARG 47 Ca 0.08 -2.03 -0.07 0.00 -0.52 0.00 0.00 55.73 53.19 1u3o s ARG 47 Cb 0.00 -1.69 -0.15 0.00 0.52 0.00 0.00 34.95 33.64 1u3o s ARG 47 CO 0.06 0.02 2.96 -0.35 0.02 0.00 0.00 175.30 178.01 1u3o n PRO 48 N -0.92 2.64 -0.03 3.54 -0.04 -1.26 -4.36 135.00 134.57 1u3o n PRO 48 Ca -0.05 -1.53 -0.19 0.00 -0.04 0.00 0.00 63.50 61.69 1u3o n PRO 48 Cb 0.66 -2.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.60 1u3o n PRO 48 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1u3o h SER 49 N 4.51 0.21 0.32 3.54 0.02 -1.96 -3.36 113.55 116.82 1u3o h SER 49 Ca 0.52 -0.84 -0.33 0.00 -0.84 0.00 0.00 61.79 60.30 1u3o h SER 49 Cb 0.71 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1u3o h SER 49 CO 1.09 1.38 -1.66 1.05 -1.14 0.00 0.00 176.83 177.55 1u3o h GLU 50 N -0.66 0.31 -5.00 3.45 4.11 -2.02 -3.44 114.58 111.34 1u3o h GLU 50 Ca -0.20 -0.53 -0.67 0.00 0.07 0.00 0.00 59.36 58.03 1u3o h GLU 50 Cb 1.43 0.20 -0.34 0.00 0.50 0.00 0.00 28.75 30.54 1u3o h GLU 50 CO 0.00 1.19 -0.82 0.50 0.07 0.00 0.00 179.01 179.96 1u3o s ARG 51 N -2.60 2.86 -0.45 1.06 3.52 -1.26 -5.09 118.95 116.99 1u3o s ARG 51 Ca -0.13 -0.93 -0.20 0.00 -0.13 0.00 0.00 55.73 54.34 1u3o s ARG 51 Cb 0.06 -2.73 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1u3o s ARG 51 CO 0.85 -0.30 0.62 -1.25 -0.81 0.00 0.00 175.30 174.41 1u3o s PRO 52 N 1.28 3.24 0.00 5.12 0.04 -1.26 -3.91 135.00 139.51 1u3o s PRO 52 Ca 0.02 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1u3o s PRO 52 Cb -0.15 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1u3o s PRO 52 CO -0.09 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1u3o n GLY 53 N 5.06 0.84 3.68 0.56 0.00 -1.26 -5.06 105.19 109.01 1u3o n GLY 53 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.71 2.65 0.06 1.61 1.48 -1.25 0.20 118.94 121.98 1u3o s TRP 54 Ca 0.00 -0.36 -0.24 0.00 -1.06 0.00 0.00 56.10 54.43 1u3o s TRP 54 Cb 0.00 -1.49 0.06 0.00 -1.16 0.00 0.00 33.47 30.88 1u3o s TRP 54 CO 0.00 0.45 0.58 0.00 -4.06 0.00 0.00 176.95 173.92 1u3o s LEU 56 N -2.04 3.10 -0.08 0.00 1.02 -1.26 -1.96 118.68 117.46 1u3o s LEU 56 Ca -0.05 -0.69 -0.00 0.00 0.02 0.00 0.00 54.13 53.41 1u3o s LEU 56 Cb -0.01 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.60 1u3o s LEU 56 CO -0.03 0.01 -0.05 0.68 0.02 0.00 0.00 176.35 176.99 1u3o s VAL 57 N -2.30 0.74 0.27 -1.59 -7.23 -0.76 -3.85 120.40 105.68 1u3o s VAL 57 Ca 0.31 -0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.39 1u3o s VAL 57 Cb -0.06 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 1u3o s VAL 57 CO 0.19 0.30 0.28 -0.60 -0.31 0.00 0.00 175.10 174.96 1u3o s ARG 58 N 1.51 3.05 -0.09 4.82 6.06 0.25 0.18 118.95 134.73 1u3o s ARG 58 Ca -0.01 -1.01 -0.01 0.00 -2.50 0.00 0.00 55.73 52.21 1u3o s ARG 58 Cb -0.13 -2.66 0.03 0.00 0.06 0.00 0.00 34.95 32.25 1u3o s ARG 58 CO -0.04 0.33 -0.04 -0.08 -2.50 0.00 0.00 175.30 172.97 1u3o s THR 59 N -2.12 0.68 -0.28 4.11 -1.32 0.26 -3.65 115.64 113.32 1u3o s THR 59 Ca 0.35 -0.09 0.13 0.00 -1.21 0.00 0.00 61.69 60.88 1u3o s THR 59 Cb -0.08 -0.76 -0.18 0.00 -1.51 0.00 0.00 72.50 69.97 1u3o s THR 59 CO 0.27 0.30 0.41 0.41 -2.21 0.00 0.00 174.62 173.80 1u3o n THR 60 N 4.90 0.00 1.47 5.08 -1.04 -1.26 -2.03 114.28 121.40 1u3o n THR 60 Ca -0.12 -0.26 0.03 0.00 -2.04 0.00 0.00 64.05 61.67 1u3o n THR 60 Cb 0.50 0.54 0.09 0.00 -1.82 0.00 0.00 70.33 69.64 1u3o n THR 60 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u3o n GLU 61 N -1.69 1.39 -3.58 -2.82 1.02 -1.26 -4.45 120.64 109.25 1u3o n GLU 61 Ca -0.00 -0.60 -0.29 0.00 -0.02 0.00 0.00 57.16 56.24 1u3o n GLU 61 Cb 0.29 -1.14 -0.14 0.00 -0.02 0.00 0.00 31.44 30.43 1u3o n GLU 61 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1u3o s ARG 62 N -1.78 0.53 -0.01 3.49 3.52 -1.26 -5.12 118.95 118.31 1u3o s ARG 62 Ca 0.12 -1.06 -0.26 0.00 -0.13 0.00 0.00 55.73 54.41 1u3o s ARG 62 Cb 0.06 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.90 1u3o s ARG 62 CO 0.08 -1.09 0.79 0.45 -0.81 0.00 0.00 175.30 174.73 1u3o s SER 63 N 1.48 7.16 0.56 -2.12 0.15 -1.26 -2.61 113.70 117.06 1u3o s SER 63 Ca 0.13 1.39 -0.17 0.00 0.70 0.00 0.00 55.95 58.00 1u3o s SER 63 Cb -0.19 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 1u3o s SER 63 CO -0.19 -0.11 1.06 -2.84 1.20 0.00 0.00 173.24 172.37 1u3o s PRO 64 N 0.58 3.43 0.94 5.44 0.02 -1.26 -5.12 135.00 139.03 1u3o s PRO 64 Ca 0.41 1.31 -0.14 0.00 0.02 0.00 0.00 61.00 62.61 1u3o s PRO 64 Cb -0.19 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 1u3o s PRO 64 CO 0.22 -0.74 0.04 -2.30 -0.33 0.00 0.00 177.00 173.89 1u3o n PRO 65 N -1.66 -0.15 -4.03 5.54 -0.02 -1.07 -5.02 135.00 128.59 1u3o n PRO 65 Ca 0.09 -0.02 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1u3o n PRO 65 Cb 0.52 -1.58 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 1u3o n PRO 65 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1u3o s GLN 66 N -3.03 0.73 0.08 -0.52 0.74 -0.86 -4.94 119.66 111.85 1u3o s GLN 66 Ca 0.52 -1.17 0.02 0.00 0.05 0.00 0.00 55.36 54.78 1u3o s GLN 66 Cb -0.22 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 1u3o s GLN 66 CO 0.71 -0.18 -0.07 -1.83 -0.55 0.00 0.00 175.29 173.38 1u3o s GLU 67 N -3.92 0.71 0.31 1.67 4.04 -1.26 0.92 118.70 121.18 1u3o s GLU 67 Ca 0.08 -1.14 0.05 0.00 0.04 0.00 0.00 54.97 54.01 1u3o s GLU 67 Cb 0.07 -0.19 -0.03 0.00 0.02 0.00 0.00 34.13 34.00 1u3o s GLU 67 CO -0.09 -0.01 0.23 0.20 -1.84 0.00 0.00 175.26 173.75 1u3o s GLY 68 N -2.57 2.18 -0.04 -3.83 0.00 0.49 -3.70 107.32 99.84 1u3o s GLY 68 Ca 0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 44.72 42.83 1u3o s GLY 68 CO -0.04 -1.50 0.10 1.08 0.00 0.00 0.00 173.10 172.74 1u3o s LEU 69 N -3.35 1.22 0.13 0.66 1.02 -1.25 -1.83 118.68 115.28 1u3o s LEU 69 Ca 0.39 0.20 -0.24 0.00 0.02 0.00 0.00 54.13 54.50 1u3o s LEU 69 Cb 0.03 0.26 0.08 0.00 0.02 0.00 0.00 46.19 46.58 1u3o s LEU 69 CO 0.23 -0.09 0.65 0.68 0.02 0.00 0.00 176.35 177.84 1u3o s VAL 70 N 0.63 0.00 0.60 -1.59 -7.23 -0.83 -4.89 120.40 107.09 1u3o s VAL 70 Ca -0.05 -0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.02 1u3o s VAL 70 Cb -0.07 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1u3o s VAL 70 CO -0.03 0.00 0.99 -2.16 -0.31 0.00 0.00 175.10 173.59 1u3o s PRO 71 N -3.64 3.57 0.58 4.82 0.05 -1.26 -0.92 135.00 138.20 1u3o s PRO 71 Ca 0.02 0.64 0.36 0.00 0.05 0.00 0.00 61.00 62.07 1u3o s PRO 71 Cb -0.01 -2.13 1.36 0.00 0.05 0.00 0.00 34.50 33.77 1u3o s PRO 71 CO -0.12 -0.51 1.55 1.03 0.05 0.00 0.00 177.00 179.00 1u3o h SER 72 N -0.23 0.00 -0.80 6.66 0.87 0.20 0.34 113.55 120.60 1u3o h SER 72 Ca -0.45 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.24 1u3o h SER 72 Cb 1.19 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 1u3o h SER 72 CO 0.62 0.00 0.52 0.28 -0.53 0.00 0.00 176.83 177.72 1u3o h SER 73 N 0.00 0.56 -0.56 6.23 0.02 -1.91 0.65 113.55 118.55 1u3o h SER 73 Ca 0.60 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 1u3o h SER 73 Cb 2.84 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 65.29 1u3o h SER 73 CO -0.01 0.31 0.00 0.35 -1.14 0.00 0.00 176.83 176.34 1u3o n THR 74 N -4.51 1.64 -3.77 -2.27 -2.24 0.12 -4.32 114.28 98.93 1u3o n THR 74 Ca 0.15 -1.23 -0.14 0.00 -2.27 0.00 0.00 64.05 60.56 1u3o n THR 74 Cb 0.43 0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.71 1.07 -0.14 3.22 1.02 0.22 -1.97 118.68 120.38 1u3o s LEU 75 Ca 0.45 0.11 -0.29 0.00 0.02 0.00 0.00 54.13 54.42 1u3o s LEU 75 Cb 0.28 0.06 -0.06 0.00 0.02 0.00 0.00 46.19 46.50 1u3o s LEU 75 CO 0.22 -0.12 2.05 0.00 0.02 0.00 0.00 176.35 178.52 1u3o n ILE 77 N 6.89 0.40 -0.05 0.00 -6.64 -1.26 -4.69 119.36 114.01 1u3o n ILE 77 Ca 0.25 -0.19 -0.07 0.00 -1.77 0.00 0.00 62.75 60.98 1u3o n ILE 77 Cb 0.44 -0.79 -0.06 0.00 -1.44 0.00 0.00 39.64 37.79 1u3o n ILE 77 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 1u3o n SER 78 N -2.53 3.06 -2.93 7.28 7.64 -1.26 -5.08 113.62 119.79 1u3o n SER 78 Ca -0.12 -0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.69 1u3o n SER 78 Cb 0.65 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1u3o n SER 78 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1u3o n HIS 79 N -2.68 -3.07 0.01 1.43 -0.00 -1.26 -5.26 115.22 104.39 1u3o n HIS 79 Ca -0.18 1.20 0.00 0.00 0.46 0.00 0.00 57.72 59.20 1u3o n HIS 79 Cb 0.73 -4.02 0.00 0.00 -0.12 0.00 0.00 29.99 26.58 1u3o n HIS 79 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23