#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 1.65 0.00 0.23 0.00 -1.26 -4.96 107.32 102.98 1u3o s GLY 15 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1u3o s GLY 15 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.49 1u3o n GLY 16 N -3.15 0.97 2.90 0.20 0.00 -1.26 -5.07 105.19 99.78 1u3o n GLY 16 Ca 0.11 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 0.92 1.00 0.03 0.00 2.56 -0.96 -4.95 118.70 117.31 1u3o s GLU 18 Ca -0.11 -0.95 -0.30 0.00 0.00 0.00 0.00 54.97 53.61 1u3o s GLU 18 Cb -0.14 -1.09 -0.04 0.00 2.00 0.00 0.00 34.13 34.85 1u3o s GLU 18 CO 0.00 0.26 1.04 -0.51 -0.56 0.00 0.00 175.26 175.49 1u3o s LEU 19 N -1.54 4.38 0.03 2.70 1.43 -1.26 0.16 118.68 124.59 1u3o s LEU 19 Ca 0.02 1.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1u3o s LEU 19 Cb -0.09 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1u3o s LEU 19 CO 0.02 -0.30 -0.03 0.28 0.23 0.00 0.00 176.35 176.55 1u3o s THR 20 N 0.91 0.15 -0.04 5.49 -1.32 -0.13 -4.82 115.64 115.89 1u3o s THR 20 Ca 0.53 -1.19 0.06 0.00 -1.21 0.00 0.00 61.69 59.88 1u3o s THR 20 Cb -0.24 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 1u3o s THR 20 CO 0.29 -0.65 -0.22 0.68 -2.21 0.00 0.00 174.62 172.50 1u3o s VAL 21 N -2.22 2.36 0.02 5.08 -7.23 -1.26 -0.32 120.40 116.83 1u3o s VAL 21 Ca -0.09 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 1u3o s VAL 21 Cb -0.04 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1u3o s VAL 21 CO -0.04 0.58 1.02 0.68 -0.31 0.00 0.00 175.10 177.03 1u3o s VAL 22 N -0.47 4.68 -0.27 1.32 -7.23 -1.10 0.96 120.40 118.29 1u3o s VAL 22 Ca 0.05 1.94 0.19 0.00 -1.81 0.00 0.00 61.98 62.35 1u3o s VAL 22 Cb -0.12 -4.24 0.15 0.00 0.56 0.00 0.00 36.38 32.74 1u3o s VAL 22 CO 0.01 0.16 1.43 -0.07 -0.31 0.00 0.00 175.10 176.32 1u3o h LEU 23 N 6.73 0.00 -7.80 1.32 3.38 -1.49 -1.45 115.31 115.99 1u3o h LEU 23 Ca -0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 1u3o h LEU 23 Cb 1.22 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 1u3o h LEU 23 CO 0.76 0.27 -0.52 0.00 0.09 0.00 0.00 178.44 179.04 1u3o s GLN 24 N -3.09 0.49 0.50 1.13 -2.07 -1.25 -4.74 119.66 110.62 1u3o s GLN 24 Ca 0.04 -0.50 -0.22 0.00 -1.82 0.00 0.00 55.36 52.86 1u3o s GLN 24 Cb 0.07 0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1u3o s GLN 24 CO 0.72 -0.12 1.20 -0.51 -1.32 0.00 0.00 175.29 175.27 1u3o s ASP 25 N -1.55 5.87 0.03 12.60 1.11 -1.26 -4.13 116.67 129.34 1u3o s ASP 25 Ca -0.13 2.39 -0.08 0.00 0.18 0.00 0.00 52.55 54.91 1u3o s ASP 25 Cb -0.07 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.32 1u3o s ASP 25 CO 0.00 -1.13 0.15 0.12 1.18 0.00 0.00 175.17 175.49 1u3o s PHE 26 N -1.52 0.11 -0.03 4.23 5.36 0.92 -4.90 117.98 122.14 1u3o s PHE 26 Ca 0.67 -0.34 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 1u3o s PHE 26 Cb -0.31 -0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.29 1u3o s PHE 26 CO 0.36 -0.39 -0.16 -1.54 -1.46 0.00 0.00 175.22 172.03 1u3o s SER 27 N -2.01 1.97 0.79 6.13 1.04 -1.26 0.12 113.70 120.48 1u3o s SER 27 Ca -0.06 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1u3o s SER 27 Cb -0.02 -0.40 0.12 0.00 0.10 0.00 0.00 66.02 65.81 1u3o s SER 27 CO -0.03 0.17 0.26 0.00 0.98 0.00 0.00 173.24 174.61 1u3o n ALA 28 N 2.95 -1.60 0.00 5.32 0.00 -1.12 -4.82 120.51 121.25 1u3o n ALA 28 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1u3o n ALA 28 Cb 0.54 -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 -3.27 0.00 -2.22 0.00 0.00 -1.26 -4.92 120.51 108.85 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 0.18 0.00 0.03 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 1.48 0.00 0.00 5.04 -1.26 -5.00 115.29 115.55 1u3o s HIS 30 Ca 0.00 -0.79 0.00 0.00 -1.54 0.00 0.00 55.06 52.73 1u3o s HIS 30 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 32.58 30.56 1u3o s HIS 30 CO 0.00 -0.84 0.64 0.43 -2.34 0.00 0.00 174.74 172.63 1u3o n SER 31 N -2.02 0.00 -2.22 9.88 7.64 -1.26 -2.02 113.62 123.62 1u3o n SER 31 Ca 0.07 0.64 -0.24 0.00 1.01 0.00 0.00 58.87 60.35 1u3o n SER 31 Cb 0.63 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1u3o n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1u3o n SER 32 N -1.52 6.74 -4.94 6.43 3.41 -1.26 -4.94 113.62 117.54 1u3o n SER 32 Ca 0.00 -3.27 -0.27 0.00 -0.26 0.00 0.00 58.87 55.07 1u3o n SER 32 Cb 0.00 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 62.82 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 -2.25 3.45 0.16 4.33 2.02 -0.86 -2.56 118.70 122.99 1u3o s GLU 33 Ca 0.47 -0.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.77 1u3o s GLU 33 Cb 0.34 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1u3o s GLU 33 CO -0.10 0.52 0.37 -0.48 0.02 0.00 0.00 175.26 175.60 1u3o s LEU 34 N -3.14 0.63 -0.05 1.80 0.05 -1.26 -4.69 118.68 112.03 1u3o s LEU 34 Ca 0.35 -0.65 -0.21 0.00 0.05 0.00 0.00 54.13 53.67 1u3o s LEU 34 Cb -0.11 1.58 -0.04 0.00 -2.05 0.00 0.00 46.19 45.57 1u3o s LEU 34 CO 0.28 -0.93 0.62 -0.94 -0.55 0.00 0.00 176.35 174.83 1u3o s SER 35 N -2.91 6.92 0.23 1.48 1.04 -1.26 -2.79 113.70 116.42 1u3o s SER 35 Ca 0.11 1.11 0.03 0.00 0.48 0.00 0.00 55.95 57.68 1u3o s SER 35 Cb 0.02 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1u3o s SER 35 CO -0.03 -0.01 0.01 0.27 0.98 0.00 0.00 173.24 174.46 1u3o s ILE 36 N 0.39 0.95 0.06 -1.02 -5.25 0.33 -4.94 121.20 111.71 1u3o s ILE 36 Ca 0.33 -2.02 0.05 0.00 -0.99 0.00 0.00 60.65 58.02 1u3o s ILE 36 Cb -0.17 -2.37 -0.03 0.00 2.95 0.00 0.00 42.46 42.84 1u3o s ILE 36 CO 0.16 -0.29 -0.14 -1.10 -1.79 0.00 0.00 174.94 171.78 1u3o s GLN 37 N -3.89 0.85 0.01 0.37 -0.21 -1.26 -0.06 119.66 115.48 1u3o s GLN 37 Ca 0.29 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.49 1u3o s GLN 37 Cb 0.06 -0.86 -0.08 0.00 1.00 0.00 0.00 33.01 33.13 1u3o s GLN 37 CO 0.09 0.20 1.88 0.54 -2.12 0.00 0.00 175.29 175.88 1u3o s VAL 38 N -1.13 3.16 0.00 1.09 0.11 -1.26 -2.82 120.40 119.56 1u3o s VAL 38 Ca -0.01 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1u3o s VAL 38 Cb -0.09 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1u3o s VAL 38 CO 0.02 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1u3o n GLY 39 N 4.43 1.52 3.83 6.54 0.00 -0.55 -4.93 105.19 116.02 1u3o n GLY 39 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 1.86 -0.09 1.61 -2.07 -1.13 -4.86 119.66 114.94 1u3o s GLN 40 Ca 0.00 0.40 0.04 0.00 -1.82 0.00 0.00 55.36 53.98 1u3o s GLN 40 Cb 0.00 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 30.01 1u3o s GLN 40 CO 0.00 -1.72 -0.22 0.99 -1.32 0.00 0.00 175.29 173.01 1u3o s THR 41 N -3.30 1.92 -0.07 3.63 2.01 -1.26 -2.70 115.64 115.87 1u3o s THR 41 Ca 0.62 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 1u3o s THR 41 Cb -0.13 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1u3o s THR 41 CO 0.53 0.53 0.27 -0.69 -0.69 0.00 0.00 174.62 174.57 1u3o s VAL 42 N 0.33 0.03 -0.11 3.82 1.01 0.56 -4.98 120.40 121.06 1u3o s VAL 42 Ca -0.17 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1u3o s VAL 42 Cb -0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1u3o s VAL 42 CO 0.08 -0.12 1.09 -1.83 0.00 0.00 0.00 175.10 174.31 1u3o s GLU 43 N -0.44 4.37 0.47 2.72 -1.05 0.23 -0.95 118.70 124.05 1u3o s GLU 43 Ca -0.05 1.49 -0.22 0.00 -0.15 0.00 0.00 54.97 56.04 1u3o s GLU 43 Cb -0.04 -3.58 -0.07 0.00 -0.44 0.00 0.00 34.13 30.00 1u3o s GLU 43 CO 0.02 -0.43 1.11 -0.48 0.95 0.00 0.00 175.26 176.43 1u3o s LEU 44 N 2.34 3.94 -0.09 1.83 0.05 0.43 0.12 118.68 127.30 1u3o s LEU 44 Ca 0.50 2.15 -0.16 0.00 0.05 0.00 0.00 54.13 56.67 1u3o s LEU 44 Cb -0.20 -4.38 -0.13 0.00 -2.05 0.00 0.00 46.19 39.43 1u3o s LEU 44 CO 0.17 -0.89 0.55 -0.07 -0.55 0.00 0.00 176.35 175.56 1u3o h LEU 45 N 1.82 -0.08 0.00 1.48 3.38 -1.82 -2.54 115.31 117.55 1u3o h LEU 45 Ca -0.49 -0.42 -0.29 0.00 0.09 0.00 0.00 57.88 56.77 1u3o h LEU 45 Cb 1.24 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1u3o h LEU 45 CO 0.59 0.58 -0.27 -1.84 0.09 0.00 0.00 178.44 177.60 1u3o n GLU 46 N -4.79 0.31 -4.20 1.13 0.28 -1.26 -4.39 120.64 107.71 1u3o n GLU 46 Ca -0.06 -1.95 -0.25 0.00 -0.16 0.00 0.00 57.16 54.74 1u3o n GLU 46 Cb 0.24 1.52 -0.08 0.00 1.43 0.00 0.00 31.44 34.55 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 -2.81 2.19 -0.48 3.44 1.81 -1.26 -4.32 118.95 117.52 1u3o s ARG 47 Ca 0.22 -1.86 -0.06 0.00 -1.72 0.00 0.00 55.73 52.31 1u3o s ARG 47 Cb 0.01 -1.94 -0.06 0.00 -0.45 0.00 0.00 34.95 32.51 1u3o s ARG 47 CO 0.15 -0.08 1.62 -2.30 -0.68 0.00 0.00 175.30 174.01 1u3o n PRO 48 N -1.18 1.08 -0.05 3.54 -0.02 -1.26 -4.39 135.00 132.72 1u3o n PRO 48 Ca -0.02 -1.08 -0.19 0.00 -2.02 0.00 0.00 63.50 60.19 1u3o n PRO 48 Cb 0.65 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 1u3o n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1u3o h SER 49 N 7.35 0.15 0.37 2.55 0.87 -1.95 -3.38 113.55 119.52 1u3o h SER 49 Ca 0.28 -0.79 -0.32 0.00 -1.23 0.00 0.00 61.79 59.73 1u3o h SER 49 Cb 0.17 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1u3o h SER 49 CO 1.35 1.38 -1.39 1.05 -0.53 0.00 0.00 176.83 178.69 1u3o h GLU 50 N -0.74 0.46 -4.22 2.24 4.11 -2.02 -3.45 114.58 110.96 1u3o h GLU 50 Ca -0.22 -0.78 -0.35 0.00 0.07 0.00 0.00 59.36 58.08 1u3o h GLU 50 Cb 1.38 0.29 -0.30 0.00 0.50 0.00 0.00 28.75 30.62 1u3o h GLU 50 CO -0.04 1.37 -0.76 -0.98 0.07 0.00 0.00 179.01 178.67 1u3o s ARG 51 N -2.65 0.51 -0.44 1.06 1.70 -1.26 -5.12 118.95 112.75 1u3o s ARG 51 Ca -0.07 -0.15 -0.17 0.00 -0.47 0.00 0.00 55.73 54.86 1u3o s ARG 51 Cb 0.05 -0.52 0.03 0.00 -0.57 0.00 0.00 34.95 33.94 1u3o s ARG 51 CO 0.93 0.06 0.44 -1.25 -1.08 0.00 0.00 175.30 174.40 1u3o s PRO 52 N 0.18 3.07 0.00 3.89 0.04 -1.26 -4.13 135.00 136.79 1u3o s PRO 52 Ca -0.02 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.15 1u3o s PRO 52 Cb -0.06 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1u3o s PRO 52 CO -0.00 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1u3o n GLY 53 N 5.13 0.72 3.86 0.56 0.00 -1.26 -5.08 105.19 109.13 1u3o n GLY 53 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 2.98 0.07 1.61 1.48 -1.26 0.22 118.94 123.63 1u3o s TRP 54 Ca 0.00 -0.25 -0.24 0.00 -1.06 0.00 0.00 56.10 54.56 1u3o s TRP 54 Cb 0.00 -1.73 0.06 0.00 -1.16 0.00 0.00 33.47 30.64 1u3o s TRP 54 CO 0.00 0.24 0.57 0.00 -4.06 0.00 0.00 176.95 173.70 1u3o s LEU 56 N -2.10 3.15 -0.05 0.00 1.02 -1.26 -1.38 118.68 118.07 1u3o s LEU 56 Ca -0.04 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.45 1u3o s LEU 56 Cb -0.00 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.54 1u3o s LEU 56 CO -0.03 0.02 0.02 0.68 0.02 0.00 0.00 176.35 177.05 1u3o s VAL 57 N -2.25 0.17 0.05 -1.59 -7.23 -0.76 -3.70 120.40 105.09 1u3o s VAL 57 Ca 0.31 0.22 0.08 0.00 -1.81 0.00 0.00 61.98 60.78 1u3o s VAL 57 Cb -0.07 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 1u3o s VAL 57 CO 0.19 0.21 -0.23 -0.60 -0.31 0.00 0.00 175.10 174.36 1u3o s ARG 58 N 1.88 1.55 -0.12 4.82 3.52 0.33 0.22 118.95 131.15 1u3o s ARG 58 Ca 0.03 -1.02 -0.00 0.00 -0.13 0.00 0.00 55.73 54.60 1u3o s ARG 58 Cb -0.12 -1.70 -0.02 0.00 -1.56 0.00 0.00 34.95 31.54 1u3o s ARG 58 CO -0.04 0.44 -0.11 -0.08 -0.81 0.00 0.00 175.30 174.70 1u3o s THR 59 N -0.81 3.29 -0.01 4.11 -1.32 0.13 -0.60 115.64 120.43 1u3o s THR 59 Ca 0.09 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1u3o s THR 59 Cb -0.09 -2.38 -0.01 0.00 -1.51 0.00 0.00 72.50 68.51 1u3o s THR 59 CO 0.02 0.53 0.02 1.07 -2.21 0.00 0.00 174.62 174.05 1u3o n THR 60 N 3.27 0.00 0.12 5.08 5.66 -1.26 -1.72 114.28 125.43 1u3o n THR 60 Ca -0.18 -0.23 0.04 0.00 -3.05 0.00 0.00 64.05 60.64 1u3o n THR 60 Cb 0.53 0.72 0.21 0.00 -1.55 0.00 0.00 70.33 70.23 1u3o n THR 60 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1u3o n GLU 61 N -1.29 2.88 -3.50 1.09 0.28 -1.26 -4.56 120.64 114.29 1u3o n GLU 61 Ca -0.00 -1.63 -0.27 0.00 -0.16 0.00 0.00 57.16 55.10 1u3o n GLU 61 Cb 0.01 -1.81 -0.13 0.00 1.43 0.00 0.00 31.44 30.94 1u3o n GLU 61 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1u3o s ARG 62 N -1.86 0.29 -0.10 3.44 3.52 -1.26 -5.12 118.95 117.87 1u3o s ARG 62 Ca 0.28 -0.66 -0.28 0.00 -0.13 0.00 0.00 55.73 54.95 1u3o s ARG 62 Cb 0.21 -1.11 -0.02 0.00 -1.56 0.00 0.00 34.95 32.47 1u3o s ARG 62 CO 0.10 -1.07 0.92 -1.12 -0.81 0.00 0.00 175.30 173.32 1u3o s SER 63 N 1.90 7.16 0.40 -2.12 0.01 -1.26 -1.79 113.70 117.99 1u3o s SER 63 Ca 0.11 1.42 -0.23 0.00 1.31 0.00 0.00 55.95 58.57 1u3o s SER 63 Cb -0.17 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.44 1u3o s SER 63 CO -0.28 -0.37 0.96 -2.16 0.41 0.00 0.00 173.24 171.80 1u3o s PRO 64 N 1.74 4.31 1.14 12.44 0.04 -1.26 -5.15 135.00 148.27 1u3o s PRO 64 Ca 0.45 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 1u3o s PRO 64 Cb -0.18 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.13 1u3o s PRO 64 CO 0.18 0.04 0.15 -0.35 0.04 0.00 0.00 177.00 177.06 1u3o n PRO 65 N -0.29 -1.84 -3.97 0.56 -0.04 -0.74 -5.01 135.00 123.66 1u3o n PRO 65 Ca 0.06 -0.52 -0.08 0.00 -0.04 0.00 0.00 63.50 62.92 1u3o n PRO 65 Cb 0.53 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 1u3o n PRO 65 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1u3o s GLN 66 N -3.59 0.72 0.04 0.54 0.74 -0.70 -4.92 119.66 112.48 1u3o s GLN 66 Ca 0.58 -1.08 0.03 0.00 0.05 0.00 0.00 55.36 54.94 1u3o s GLN 66 Cb -0.13 0.27 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 1u3o s GLN 66 CO 0.65 -0.19 -0.09 -1.83 -0.55 0.00 0.00 175.29 173.29 1u3o s GLU 67 N -3.84 0.58 0.24 1.67 -1.05 -1.26 0.22 118.70 115.26 1u3o s GLU 67 Ca 0.06 -0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 1u3o s GLU 67 Cb 0.06 -0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 33.28 1u3o s GLU 67 CO -0.10 0.09 0.21 0.20 0.95 0.00 0.00 175.26 176.61 1u3o s GLY 68 N -1.30 1.51 -0.07 -3.83 0.00 0.60 -3.80 107.32 100.43 1u3o s GLY 68 Ca -0.06 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 42.95 1u3o s GLY 68 CO 0.01 -1.31 0.17 1.08 0.00 0.00 0.00 173.10 173.05 1u3o s LEU 69 N -3.19 0.73 0.33 0.66 1.02 -1.25 -1.82 118.68 115.15 1u3o s LEU 69 Ca 0.37 0.36 -0.18 0.00 0.02 0.00 0.00 54.13 54.70 1u3o s LEU 69 Cb 0.05 0.48 0.04 0.00 0.02 0.00 0.00 46.19 46.78 1u3o s LEU 69 CO 0.15 -0.14 0.78 0.68 0.02 0.00 0.00 176.35 177.84 1u3o s VAL 70 N 1.05 0.00 0.35 -1.59 -7.23 -0.48 -4.87 120.40 107.64 1u3o s VAL 70 Ca -0.08 -0.97 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 1u3o s VAL 70 Cb -0.10 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 1u3o s VAL 70 CO -0.06 0.00 0.66 -2.16 -0.31 0.00 0.00 175.10 173.23 1u3o s PRO 71 N -2.96 3.70 0.57 4.82 0.04 -1.26 -0.11 135.00 139.80 1u3o s PRO 71 Ca 0.14 0.23 0.36 0.00 0.04 0.00 0.00 61.00 61.77 1u3o s PRO 71 Cb -0.05 -2.52 1.44 0.00 0.04 0.00 0.00 34.50 33.41 1u3o s PRO 71 CO 0.09 0.09 1.66 1.03 0.04 0.00 0.00 177.00 179.91 1u3o h SER 72 N 1.44 0.00 -0.24 6.66 0.87 0.25 0.56 113.55 123.09 1u3o h SER 72 Ca -0.47 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.14 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 0.65 0.00 0.17 0.28 -0.53 0.00 0.00 176.83 177.40 1u3o h SER 73 N 0.00 0.07 -0.35 6.23 0.02 -1.93 -0.83 113.55 116.76 1u3o h SER 73 Ca 0.56 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1u3o h SER 73 Cb 2.52 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 65.05 1u3o h SER 73 CO -0.01 0.05 0.00 0.35 -1.14 0.00 0.00 176.83 176.08 1u3o n THR 74 N -4.48 0.74 -3.98 -2.27 -2.24 0.19 -4.34 114.28 97.90 1u3o n THR 74 Ca 0.02 -0.87 -0.16 0.00 -2.27 0.00 0.00 64.05 60.77 1u3o n THR 74 Cb 0.26 0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.06 1.53 0.01 3.22 1.02 -0.32 -1.53 118.68 121.56 1u3o s LEU 75 Ca 0.27 -0.04 -0.33 0.00 0.02 0.00 0.00 54.13 54.06 1u3o s LEU 75 Cb 0.15 -0.20 -0.11 0.00 0.02 0.00 0.00 46.19 46.05 1u3o s LEU 75 CO 0.20 -0.04 1.86 0.00 0.02 0.00 0.00 176.35 178.40 1u3o n ILE 77 N 4.98 0.00 -3.05 0.00 -0.00 -1.26 -4.69 119.36 115.33 1u3o n ILE 77 Ca 0.20 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 63.03 1u3o n ILE 77 Cb 0.34 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.64 39.68 1u3o n ILE 77 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1u3o n SER 78 N -1.92 -5.53 -2.83 7.28 3.41 -1.26 -5.00 113.62 107.76 1u3o n SER 78 Ca 0.00 0.56 -0.06 0.00 -0.26 0.00 0.00 58.87 59.12 1u3o n SER 78 Cb 0.25 -1.59 0.01 0.00 -0.26 0.00 0.00 64.21 62.62 1u3o n SER 78 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u3o n HIS 79 N -2.46 -3.21 0.07 7.33 8.25 -1.26 -5.23 115.22 118.72 1u3o n HIS 79 Ca 0.00 1.28 0.01 0.00 -0.26 0.00 0.00 57.72 58.75 1u3o n HIS 79 Cb 0.24 -3.97 0.04 0.00 1.12 0.00 0.00 29.99 27.41 1u3o n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41