#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 -0.54 4.45 0.46 0.00 -1.26 -5.10 105.19 103.21 1u3o n GLY 15 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1u3o n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3o n GLY 16 N 0.00 1.11 2.95 -0.02 0.00 -1.26 -4.82 105.19 103.15 1u3o n GLY 16 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 0.40 1.01 0.03 0.00 2.12 -0.95 -4.93 118.70 116.38 1u3o s GLU 18 Ca -0.06 -0.96 -0.30 0.00 0.36 0.00 0.00 54.97 54.01 1u3o s GLU 18 Cb -0.10 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1u3o s GLU 18 CO 0.00 0.26 1.06 -0.51 -0.54 0.00 0.00 175.26 175.54 1u3o s LEU 19 N -1.56 4.38 0.01 2.70 1.43 -1.26 0.19 118.68 124.57 1u3o s LEU 19 Ca 0.03 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.93 1u3o s LEU 19 Cb -0.09 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1u3o s LEU 19 CO 0.02 -0.32 -0.00 0.28 0.23 0.00 0.00 176.35 176.56 1u3o s THR 20 N 0.92 0.06 -0.05 5.49 -1.32 -0.33 -4.82 115.64 115.60 1u3o s THR 20 Ca 0.54 -0.52 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 1u3o s THR 20 Cb -0.24 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 1u3o s THR 20 CO 0.29 -0.29 -0.03 0.68 -2.21 0.00 0.00 174.62 173.06 1u3o s VAL 21 N -0.85 3.96 -0.16 5.08 -7.23 -1.26 -0.62 120.40 119.32 1u3o s VAL 21 Ca -0.09 -0.48 -0.24 0.00 -1.81 0.00 0.00 61.98 59.36 1u3o s VAL 21 Cb -0.06 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1u3o s VAL 21 CO -0.00 0.52 0.75 0.68 -0.31 0.00 0.00 175.10 176.73 1u3o s VAL 22 N -0.92 4.95 0.01 1.32 -7.23 -1.10 -0.84 120.40 116.60 1u3o s VAL 22 Ca 0.15 1.46 0.19 0.00 -1.81 0.00 0.00 61.98 61.97 1u3o s VAL 22 Cb -0.11 -4.06 0.15 0.00 0.56 0.00 0.00 36.38 32.92 1u3o s VAL 22 CO 0.04 0.09 1.65 -0.07 -0.31 0.00 0.00 175.10 176.51 1u3o h LEU 23 N 7.99 0.00 -7.89 1.32 3.38 0.49 -0.44 115.31 120.17 1u3o h LEU 23 Ca -0.32 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.49 1u3o h LEU 23 Cb 1.15 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.69 1u3o h LEU 23 CO 0.80 0.36 -0.61 0.00 0.09 0.00 0.00 178.44 179.07 1u3o s GLN 24 N -3.36 0.38 0.51 1.13 -2.07 -1.18 -4.73 119.66 110.34 1u3o s GLN 24 Ca 0.02 -0.53 -0.21 0.00 -1.82 0.00 0.00 55.36 52.82 1u3o s GLN 24 Cb 0.09 0.15 -0.06 0.00 -1.09 0.00 0.00 33.01 32.10 1u3o s GLN 24 CO 0.69 -0.08 1.19 -0.51 -1.32 0.00 0.00 175.29 175.27 1u3o s ASP 25 N -1.44 5.79 0.03 12.60 1.11 -1.26 -4.14 116.67 129.36 1u3o s ASP 25 Ca -0.15 2.36 -0.07 0.00 0.18 0.00 0.00 52.55 54.87 1u3o s ASP 25 Cb -0.09 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.29 1u3o s ASP 25 CO 0.00 -1.18 0.13 0.12 1.18 0.00 0.00 175.17 175.42 1u3o s PHE 26 N -1.56 0.14 -0.03 4.23 5.36 0.97 -4.90 117.98 122.19 1u3o s PHE 26 Ca 0.69 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 56.32 1u3o s PHE 26 Cb -0.30 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1u3o s PHE 26 CO 0.35 -0.37 -0.17 -1.54 -1.46 0.00 0.00 175.22 172.03 1u3o s SER 27 N -1.99 2.10 0.80 6.13 1.04 -1.26 0.12 113.70 120.64 1u3o s SER 27 Ca -0.07 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 55.95 1u3o s SER 27 Cb -0.02 -0.40 0.12 0.00 0.10 0.00 0.00 66.02 65.82 1u3o s SER 27 CO -0.03 0.19 0.28 0.00 0.98 0.00 0.00 173.24 174.65 1u3o n ALA 28 N 2.89 -1.68 0.00 5.32 0.00 -1.09 -4.81 120.51 121.13 1u3o n ALA 28 Ca -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.79 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 -3.40 0.00 -4.61 0.00 0.00 -1.26 -4.91 120.51 106.33 1u3o n ALA 29 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 1u3o n ALA 29 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1u3o n ALA 29 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1u3o n HIS 30 N 0.00 0.92 0.00 0.00 1.44 -1.26 -5.03 115.22 111.30 1u3o n HIS 30 Ca 0.00 -2.11 0.00 0.00 -2.01 0.00 0.00 57.72 53.60 1u3o n HIS 30 Cb 0.00 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 29.82 1u3o n HIS 30 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1u3o n SER 31 N -1.29 0.00 -2.00 4.39 7.64 -1.26 -1.76 113.62 119.34 1u3o n SER 31 Ca -0.17 0.39 -0.18 0.00 1.01 0.00 0.00 58.87 59.92 1u3o n SER 31 Cb 0.54 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1u3o n SER 31 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1u3o n SER 32 N -0.87 6.35 -4.87 6.43 7.64 -1.26 -4.92 113.62 122.12 1u3o n SER 32 Ca 0.00 -3.03 -0.25 0.00 1.01 0.00 0.00 58.87 56.60 1u3o n SER 32 Cb 0.00 -1.12 -0.04 0.00 -1.01 0.00 0.00 64.21 62.04 1u3o n SER 32 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1u3o s GLU 33 N -1.57 3.15 0.19 1.43 0.41 -0.72 -2.26 118.70 119.33 1u3o s GLU 33 Ca 0.37 -0.79 -0.17 0.00 -0.41 0.00 0.00 54.97 53.97 1u3o s GLU 33 Cb 0.26 -2.77 0.03 0.00 -1.78 0.00 0.00 34.13 29.87 1u3o s GLU 33 CO -0.05 0.48 0.50 -0.48 -0.49 0.00 0.00 175.26 175.23 1u3o s LEU 34 N -3.33 0.13 -0.07 1.80 0.05 -1.25 -4.71 118.68 111.29 1u3o s LEU 34 Ca 0.33 -0.50 -0.22 0.00 0.05 0.00 0.00 54.13 53.79 1u3o s LEU 34 Cb -0.10 2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 1u3o s LEU 34 CO 0.26 -1.04 0.63 -0.94 -0.55 0.00 0.00 176.35 174.71 1u3o s SER 35 N -2.88 6.90 0.23 1.48 1.04 -1.26 -2.69 113.70 116.53 1u3o s SER 35 Ca 0.09 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.64 1u3o s SER 35 Cb -0.01 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 1u3o s SER 35 CO -0.03 -0.06 0.01 0.27 0.98 0.00 0.00 173.24 174.41 1u3o s ILE 36 N 0.66 0.94 0.08 -1.02 -5.25 0.32 -4.94 121.20 111.99 1u3o s ILE 36 Ca 0.34 -2.02 0.05 0.00 -0.99 0.00 0.00 60.65 58.03 1u3o s ILE 36 Cb -0.17 -2.36 -0.03 0.00 2.95 0.00 0.00 42.46 42.85 1u3o s ILE 36 CO 0.16 -0.30 -0.15 -1.10 -1.79 0.00 0.00 174.94 171.76 1u3o s GLN 37 N -3.89 0.86 0.08 0.37 -0.21 -1.26 -0.02 119.66 115.59 1u3o s GLN 37 Ca 0.29 -1.00 -0.31 0.00 0.02 0.00 0.00 55.36 54.36 1u3o s GLN 37 Cb 0.06 -0.89 -0.09 0.00 1.00 0.00 0.00 33.01 33.09 1u3o s GLN 37 CO 0.09 0.20 1.73 0.54 -2.12 0.00 0.00 175.29 175.73 1u3o s VAL 38 N -1.33 2.91 0.00 1.09 0.11 -1.26 -2.92 120.40 119.00 1u3o s VAL 38 Ca -0.00 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1u3o s VAL 38 Cb -0.10 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1u3o s VAL 38 CO 0.02 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 1u3o n GLY 39 N 4.12 1.37 3.74 6.54 0.00 -0.17 -4.93 105.19 115.86 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 -0.04 1.15 -0.14 1.61 -2.07 -1.15 -4.83 119.66 114.19 1u3o s GLN 40 Ca 0.00 0.58 0.02 0.00 -1.82 0.00 0.00 55.36 54.14 1u3o s GLN 40 Cb 0.00 -1.82 0.01 0.00 -1.09 0.00 0.00 33.01 30.12 1u3o s GLN 40 CO 0.00 -2.25 -0.19 0.99 -1.32 0.00 0.00 175.29 172.51 1u3o s THR 41 N -3.06 1.91 0.00 3.63 2.01 -1.26 -2.71 115.64 116.16 1u3o s THR 41 Ca 0.63 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1u3o s THR 41 Cb -0.17 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1u3o s THR 41 CO 0.56 0.52 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.31 1u3o s VAL 42 N 1.02 0.04 0.02 3.82 1.01 0.21 -4.96 120.40 121.56 1u3o s VAL 42 Ca -0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1u3o s VAL 42 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1u3o s VAL 42 CO -0.05 -0.04 1.04 -1.83 0.00 0.00 0.00 175.10 174.22 1u3o s GLU 43 N -0.14 4.53 0.44 2.72 -1.05 -1.23 -1.18 118.70 122.78 1u3o s GLU 43 Ca -0.01 1.52 -0.23 0.00 -0.15 0.00 0.00 54.97 56.10 1u3o s GLU 43 Cb -0.01 -3.43 -0.08 0.00 -0.44 0.00 0.00 34.13 30.17 1u3o s GLU 43 CO -0.00 -0.10 1.07 -0.48 0.95 0.00 0.00 175.26 176.70 1u3o s LEU 44 N 1.00 4.03 -0.08 1.83 0.05 0.49 0.12 118.68 126.11 1u3o s LEU 44 Ca 0.54 2.06 -0.20 0.00 0.05 0.00 0.00 54.13 56.58 1u3o s LEU 44 Cb -0.23 -4.30 -0.16 0.00 -2.05 0.00 0.00 46.19 39.44 1u3o s LEU 44 CO 0.28 -0.66 0.71 -0.07 -0.55 0.00 0.00 176.35 176.07 1u3o h LEU 45 N 2.14 -0.10 0.00 1.48 3.38 -1.83 -2.53 115.31 117.85 1u3o h LEU 45 Ca -0.49 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1u3o h LEU 45 Cb 1.22 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1u3o h LEU 45 CO 0.61 0.56 0.00 -1.84 0.09 0.00 0.00 178.44 177.86 1u3o n GLU 46 N -4.82 1.52 -4.25 1.13 0.28 -1.26 -4.39 120.64 108.85 1u3o n GLU 46 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.79 1u3o n GLU 46 Cb 0.28 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.04 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 1.52 1.25 -0.60 3.44 0.52 -1.26 -4.63 118.95 119.19 1u3o s ARG 47 Ca 0.00 -1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 53.52 1u3o s ARG 47 Cb 0.00 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 1u3o s ARG 47 CO 0.00 -0.31 1.74 -0.35 0.02 0.00 0.00 175.30 176.40 1u3o n PRO 48 N -0.33 1.39 -0.04 3.54 -0.04 -1.26 -4.33 135.00 133.93 1u3o n PRO 48 Ca -0.00 -1.13 -0.20 0.00 -0.04 0.00 0.00 63.50 62.13 1u3o n PRO 48 Cb 0.66 -2.29 -0.13 0.00 -0.04 0.00 0.00 33.50 31.69 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 6.85 0.19 0.37 3.54 0.02 -1.96 -3.39 113.55 119.18 1u3o h SER 49 Ca 0.33 -0.79 -0.32 0.00 -0.84 0.00 0.00 61.79 60.17 1u3o h SER 49 Cb 0.11 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.60 1u3o h SER 49 CO 1.29 1.44 -1.52 1.05 -1.14 0.00 0.00 176.83 177.94 1u3o h GLU 50 N -0.66 0.37 -4.53 3.45 4.11 -2.02 -3.46 114.58 111.84 1u3o h GLU 50 Ca -0.24 -0.63 -0.39 0.00 0.07 0.00 0.00 59.36 58.16 1u3o h GLU 50 Cb 1.46 0.24 -0.30 0.00 0.50 0.00 0.00 28.75 30.65 1u3o h GLU 50 CO -0.03 1.27 -0.78 -0.98 0.07 0.00 0.00 179.01 178.57 1u3o s ARG 51 N -2.61 0.77 -0.26 1.06 1.70 -1.26 -5.13 118.95 113.21 1u3o s ARG 51 Ca -0.10 -0.27 -0.14 0.00 -0.47 0.00 0.00 55.73 54.75 1u3o s ARG 51 Cb 0.06 -0.74 -0.04 0.00 -0.57 0.00 0.00 34.95 33.66 1u3o s ARG 51 CO 0.89 0.12 0.34 -1.25 -1.08 0.00 0.00 175.30 174.32 1u3o s PRO 52 N 0.07 4.04 0.00 3.89 0.04 -1.26 -4.13 135.00 137.65 1u3o s PRO 52 Ca -0.01 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1u3o s PRO 52 Cb -0.06 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1u3o s PRO 52 CO 0.00 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1u3o n GLY 53 N 4.58 0.97 3.86 0.56 0.00 -1.26 -5.05 105.19 108.85 1u3o n GLY 53 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 2.99 0.07 1.61 1.48 -1.26 0.23 118.94 122.05 1u3o s TRP 54 Ca 0.00 -0.24 -0.23 0.00 -1.06 0.00 0.00 56.10 54.57 1u3o s TRP 54 Cb 0.00 -1.72 0.06 0.00 -1.16 0.00 0.00 33.47 30.64 1u3o s TRP 54 CO 0.00 0.25 0.54 0.00 -4.06 0.00 0.00 176.95 173.67 1u3o s LEU 56 N -2.14 3.25 -0.05 0.00 1.02 -1.26 -1.25 118.68 118.24 1u3o s LEU 56 Ca -0.04 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.47 1u3o s LEU 56 Cb -0.00 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.47 1u3o s LEU 56 CO -0.04 -0.04 0.01 0.68 0.02 0.00 0.00 176.35 176.98 1u3o s VAL 57 N -2.32 0.24 -0.12 -1.59 -7.23 0.47 -3.65 120.40 106.20 1u3o s VAL 57 Ca 0.32 0.13 -0.05 0.00 -1.81 0.00 0.00 61.98 60.57 1u3o s VAL 57 Cb -0.06 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1u3o s VAL 57 CO 0.21 0.20 0.08 -0.60 -0.31 0.00 0.00 175.10 174.68 1u3o s ARG 58 N 1.54 3.36 -0.18 4.82 6.06 0.32 0.18 118.95 135.05 1u3o s ARG 58 Ca -0.02 -0.26 -0.16 0.00 -2.50 0.00 0.00 55.73 52.80 1u3o s ARG 58 Cb -0.13 -3.06 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 1u3o s ARG 58 CO -0.03 0.68 0.38 0.99 -2.50 0.00 0.00 175.30 174.82 1u3o s THR 59 N -0.78 5.23 0.00 4.11 2.01 0.15 -3.57 115.64 122.78 1u3o s THR 59 Ca 0.13 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.82 1u3o s THR 59 Cb -0.12 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1u3o s THR 59 CO 0.03 0.30 0.00 0.35 -0.69 0.00 0.00 174.62 174.60 1u3o n THR 60 N 4.07 0.00 0.26 -0.82 -2.24 -1.26 -1.97 114.28 112.32 1u3o n THR 60 Ca -0.09 -0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1u3o n THR 60 Cb 0.51 0.68 0.20 0.00 -2.10 0.00 0.00 70.33 69.62 1u3o n THR 60 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1u3o n GLU 61 N -1.30 2.67 -3.44 -0.78 0.28 -1.26 -4.58 120.64 112.23 1u3o n GLU 61 Ca 0.00 -1.57 -0.22 0.00 -0.16 0.00 0.00 57.16 55.21 1u3o n GLU 61 Cb 0.00 -1.70 -0.11 0.00 1.43 0.00 0.00 31.44 31.06 1u3o n GLU 61 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1u3o s ARG 62 N -1.78 0.37 -0.05 3.44 0.52 -1.26 -5.13 118.95 115.06 1u3o s ARG 62 Ca 0.28 -0.52 -0.27 0.00 -0.52 0.00 0.00 55.73 54.70 1u3o s ARG 62 Cb 0.19 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.74 1u3o s ARG 62 CO 0.11 -1.08 0.86 -1.12 0.02 0.00 0.00 175.30 174.09 1u3o s SER 63 N 1.97 7.17 0.53 0.23 0.01 -1.26 -2.39 113.70 119.96 1u3o s SER 63 Ca 0.12 1.41 -0.18 0.00 1.31 0.00 0.00 55.95 58.61 1u3o s SER 63 Cb -0.16 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1u3o s SER 63 CO -0.25 -0.23 1.03 -2.16 0.41 0.00 0.00 173.24 172.04 1u3o s PRO 64 N 1.12 3.68 1.01 12.44 0.04 -1.26 -5.13 135.00 146.90 1u3o s PRO 64 Ca 0.45 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 1u3o s PRO 64 Cb -0.19 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1u3o s PRO 64 CO 0.22 -0.52 -0.74 -2.30 0.04 0.00 0.00 177.00 173.70 1u3o n PRO 65 N -1.45 -0.32 -4.37 0.56 -0.02 -1.00 -5.01 135.00 123.38 1u3o n PRO 65 Ca 0.08 -0.09 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1u3o n PRO 65 Cb 0.53 -1.25 -0.10 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.50 1.52 0.03 -0.52 -1.52 -0.83 -4.89 119.66 110.93 1u3o s GLN 66 Ca 0.44 -1.83 0.01 0.00 -1.95 0.00 0.00 55.36 52.03 1u3o s GLN 66 Cb -0.08 -0.49 -0.02 0.00 -0.22 0.00 0.00 33.01 32.21 1u3o s GLN 66 CO 0.72 -0.26 -0.06 -1.21 -0.25 0.00 0.00 175.29 174.23 1u3o s GLU 67 N -3.97 0.42 0.06 2.91 2.02 -1.26 0.31 118.70 119.19 1u3o s GLU 67 Ca 0.37 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 1u3o s GLU 67 Cb 0.08 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.07 1u3o s GLU 67 CO 0.14 0.03 -0.04 0.20 0.02 0.00 0.00 175.26 175.62 1u3o s GLY 68 N -1.17 0.51 -0.02 -1.39 0.00 0.49 -3.43 107.32 102.30 1u3o s GLY 68 Ca -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1u3o s GLY 68 CO -0.00 -1.32 -0.00 1.08 0.00 0.00 0.00 173.10 172.86 1u3o s LEU 69 N -2.89 1.37 0.30 0.66 1.02 -1.23 -0.40 118.68 117.51 1u3o s LEU 69 Ca 0.07 -0.03 -0.20 0.00 0.02 0.00 0.00 54.13 54.00 1u3o s LEU 69 Cb 0.07 -0.19 0.03 0.00 0.02 0.00 0.00 46.19 46.12 1u3o s LEU 69 CO -0.09 -0.07 0.75 0.68 0.02 0.00 0.00 176.35 177.64 1u3o s VAL 70 N 0.76 0.00 0.40 -1.59 -7.23 -0.38 -4.87 120.40 107.48 1u3o s VAL 70 Ca -0.07 -0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 1u3o s VAL 70 Cb -0.11 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 1u3o s VAL 70 CO -0.01 0.00 0.76 -2.16 -0.31 0.00 0.00 175.10 173.38 1u3o s PRO 71 N -3.46 3.78 0.60 4.82 0.04 -1.26 0.04 135.00 139.56 1u3o s PRO 71 Ca 0.12 0.46 0.29 0.00 0.04 0.00 0.00 61.00 61.91 1u3o s PRO 71 Cb -0.06 -2.40 1.35 0.00 0.04 0.00 0.00 34.50 33.44 1u3o s PRO 71 CO 0.08 -0.02 1.75 1.03 0.04 0.00 0.00 177.00 179.88 1u3o h SER 72 N 1.31 0.00 -0.30 6.66 0.87 0.26 0.45 113.55 122.80 1u3o h SER 72 Ca -0.47 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1u3o h SER 72 Cb 1.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1u3o h SER 72 CO 0.64 0.00 0.21 -1.28 -0.53 0.00 0.00 176.83 175.87 1u3o h SER 73 N 0.00 0.23 -0.01 6.23 0.87 -1.92 -0.82 113.55 118.13 1u3o h SER 73 Ca 0.29 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1u3o h SER 73 Cb 1.63 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1u3o h SER 73 CO -0.00 0.16 -0.54 0.35 -0.53 0.00 0.00 176.83 176.26 1u3o n THR 74 N -4.49 0.00 -4.51 2.23 -2.24 0.16 -4.46 114.28 100.96 1u3o n THR 74 Ca 0.03 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1u3o n THR 74 Cb 0.18 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 1u3o n THR 74 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1u3o n LEU 75 N -0.27 0.00 -4.68 3.22 4.32 -0.31 0.10 117.00 119.38 1u3o n LEU 75 Ca 0.08 -2.40 -0.47 0.00 -0.02 0.00 0.00 56.01 53.20 1u3o n LEU 75 Cb 0.43 0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 42.43 1u3o n LEU 75 CO 0.30 -0.36 1.49 0.00 -1.22 0.00 0.00 177.39 177.60 1u3o s ILE 77 N 3.87 2.48 -0.49 0.00 -4.36 -1.26 -4.84 121.20 116.60 1u3o s ILE 77 Ca 0.91 -1.21 -0.13 0.00 -0.26 0.00 0.00 60.65 59.96 1u3o s ILE 77 Cb -0.64 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.40 1u3o s ILE 77 CO 0.49 0.00 0.62 -1.20 0.24 0.00 0.00 174.94 175.08 1u3o n SER 78 N -1.81 -7.94 -0.03 4.36 7.64 -1.26 -4.97 113.62 109.62 1u3o n SER 78 Ca 0.06 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.27 1u3o n SER 78 Cb 0.61 -5.39 -0.14 0.00 -1.01 0.00 0.00 64.21 58.28 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 -0.56 0.86 0.11 1.43 -0.00 -1.26 -5.27 115.22 110.53 1u3o n HIS 79 Ca 0.10 0.29 0.01 0.00 0.46 0.00 0.00 57.72 58.58 1u3o n HIS 79 Cb 0.47 -1.15 0.05 0.00 -0.12 0.00 0.00 29.99 29.24 1u3o n HIS 79 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67