#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v80 s GLN 2 N 0.00 1.83 0.37 3.17 -2.07 -1.25 -3.05 119.66 118.65 1v80 s GLN 2 Ca 0.00 -2.25 0.01 0.00 -1.82 0.00 0.00 55.36 51.30 1v80 s GLN 2 Cb 0.00 -3.33 -0.03 0.00 -1.09 0.00 0.00 33.01 28.56 1v80 s GLN 2 CO 0.00 -1.04 0.57 0.96 -1.32 0.00 0.00 175.29 174.46 1v80 s ILE 3 N 0.33 4.83 0.48 3.63 -4.36 0.11 -1.06 121.20 125.16 1v80 s ILE 3 Ca 0.14 -0.49 0.02 0.00 -0.26 0.00 0.00 60.65 60.06 1v80 s ILE 3 Cb -0.22 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.71 1v80 s ILE 3 CO -0.04 -0.50 0.05 -0.36 0.24 0.00 0.00 174.94 174.33 1v80 s PHE 4 N -2.36 1.82 -0.16 1.37 0.08 0.23 0.26 117.98 119.22 1v80 s PHE 4 Ca 0.42 -1.08 -0.24 0.00 0.12 0.00 0.00 56.93 56.15 1v80 s PHE 4 Cb -0.10 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.96 1v80 s PHE 4 CO 0.36 0.05 0.61 0.54 -0.10 0.00 0.00 175.22 176.68 1v80 s VAL 5 N -2.98 0.01 -0.25 -0.44 0.11 -0.88 0.21 120.40 116.17 1v80 s VAL 5 Ca 0.10 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1v80 s VAL 5 Cb 0.01 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1v80 s VAL 5 CO 0.06 -0.03 0.05 -0.54 -3.33 0.00 0.00 175.10 171.32 1v80 s LYS 6 N -0.31 3.52 0.50 1.54 1.02 0.49 -2.29 119.74 124.22 1v80 s LYS 6 Ca -0.05 -0.56 -0.00 0.00 0.02 0.00 0.00 55.97 55.38 1v80 s LYS 6 Cb -0.03 -3.27 0.10 0.00 -0.52 0.00 0.00 37.83 34.11 1v80 s LYS 6 CO 0.04 -0.23 0.69 0.25 -0.92 0.00 0.00 175.35 175.18 1v80 n THR 7 N 4.89 0.00 -0.33 2.17 -2.24 -1.24 0.17 114.28 117.71 1v80 n THR 7 Ca -0.16 -1.07 0.07 0.00 -2.27 0.00 0.00 64.05 60.62 1v80 n THR 7 Cb 0.51 -1.06 0.24 0.00 -2.10 0.00 0.00 70.33 67.91 1v80 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1v80 h LEU 8 N 0.00 0.74 -0.10 3.22 -0.00 -1.92 0.51 115.31 117.75 1v80 h LEU 8 Ca -0.23 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1v80 h LEU 8 Cb 0.84 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1v80 h LEU 8 CO 0.24 0.35 0.00 0.00 -0.00 0.00 0.00 178.44 179.03 1v80 h THR 9 N 0.80 0.00 0.00 0.22 1.03 -1.93 -3.47 112.91 109.57 1v80 h THR 9 Ca 0.49 -0.83 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 1v80 h THR 9 Cb 0.59 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 1v80 h THR 9 CO -0.31 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 175.81 1v80 n GLY 10 N 1.06 3.07 3.14 2.99 0.00 0.18 -5.00 105.19 110.63 1v80 n GLY 10 Ca 0.04 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.49 1v80 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1v80 n LYS 11 N -2.00 0.00 -2.62 1.61 3.00 -1.26 -4.13 118.16 112.76 1v80 n LYS 11 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1v80 n LYS 11 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 35.03 33.75 1v80 n LYS 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1v80 s THR 12 N 2.56 4.34 -0.24 3.15 2.01 -1.26 -3.61 115.64 122.59 1v80 s THR 12 Ca 0.88 1.45 -0.08 0.00 0.31 0.00 0.00 61.69 64.25 1v80 s THR 12 Cb -1.26 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 66.69 1v80 s THR 12 CO 0.69 -0.78 0.10 -0.63 -0.69 0.00 0.00 174.62 173.30 1v80 s ILE 13 N 4.10 4.67 0.30 1.82 1.09 -0.97 -4.91 121.20 127.31 1v80 s ILE 13 Ca 0.47 -0.05 -0.27 0.00 -1.10 0.00 0.00 60.65 59.69 1v80 s ILE 13 Cb -0.09 -3.18 -0.10 0.00 -1.06 0.00 0.00 42.46 38.03 1v80 s ILE 13 CO 0.25 0.34 0.95 -0.89 -0.10 0.00 0.00 174.94 175.49 1v80 s THR 14 N 1.38 4.15 -0.06 2.92 2.01 -1.26 -2.07 115.64 122.72 1v80 s THR 14 Ca 0.06 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.97 1v80 s THR 14 Cb -0.15 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1v80 s THR 14 CO 0.05 0.25 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.35 1v80 s LEU 15 N -1.80 1.65 -0.90 4.42 2.01 0.74 -4.95 118.68 119.85 1v80 s LEU 15 Ca 0.48 -0.28 0.00 0.00 0.01 0.00 0.00 54.13 54.33 1v80 s LEU 15 Cb -0.21 -0.79 0.29 0.00 0.01 0.00 0.00 46.19 45.49 1v80 s LEU 15 CO 0.26 0.04 1.23 -0.62 1.01 0.00 0.00 176.35 178.27 1v80 n GLU 16 N 3.74 3.82 -1.75 1.70 4.71 -1.26 0.06 120.64 131.66 1v80 n GLU 16 Ca -0.22 -4.62 -0.06 0.00 -0.01 0.00 0.00 57.16 52.25 1v80 n GLU 16 Cb 0.52 -2.41 0.01 0.00 -1.01 0.00 0.00 31.44 28.55 1v80 n GLU 16 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1v80 n VAL 17 N 1.00 0.00 -4.42 2.62 0.24 -1.17 -4.89 118.33 111.70 1v80 n VAL 17 Ca 0.29 -0.51 -0.22 0.00 -2.04 0.00 0.00 64.34 61.86 1v80 n VAL 17 Cb 0.36 -0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 31.96 1v80 n VAL 17 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1v80 s GLU 18 N -2.62 1.54 0.00 7.34 -1.05 -1.26 -2.90 118.70 119.76 1v80 s GLU 18 Ca 0.12 -1.70 0.23 0.00 -0.15 0.00 0.00 54.97 53.47 1v80 s GLU 18 Cb -0.01 -1.51 1.39 0.00 -0.44 0.00 0.00 34.13 33.56 1v80 s GLU 18 CO 0.08 0.27 1.77 -0.35 0.95 0.00 0.00 175.26 177.97 1v80 n PRO 19 N -0.53 0.75 0.00 -4.83 -0.04 -1.26 -1.92 135.00 127.17 1v80 n PRO 19 Ca -0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1v80 n PRO 19 Cb 0.60 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1v80 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v80 n SER 20 N -0.99 1.23 -2.19 3.54 7.64 -1.26 -1.52 113.62 120.07 1v80 n SER 20 Ca 0.17 -1.12 -0.02 0.00 1.01 0.00 0.00 58.87 58.92 1v80 n SER 20 Cb 0.08 0.37 0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1v80 n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1v80 n ASP 21 N -0.12 -0.12 -4.54 6.43 8.00 -0.81 -4.92 116.55 120.46 1v80 n ASP 21 Ca 0.04 -0.98 -0.25 0.00 0.71 0.00 0.00 54.79 54.31 1v80 n ASP 21 Cb 0.19 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 1v80 n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1v80 s THR 22 N -1.21 1.66 0.01 -3.53 2.01 -1.26 -3.50 115.64 109.83 1v80 s THR 22 Ca 0.06 -2.01 -0.23 0.00 0.31 0.00 0.00 61.69 59.81 1v80 s THR 22 Cb -0.00 -2.88 -0.17 0.00 0.01 0.00 0.00 72.50 69.46 1v80 s THR 22 CO 0.04 -0.02 1.34 0.40 -0.69 0.00 0.00 174.62 175.69 1v80 h ILE 23 N 1.94 1.34 -0.16 1.82 1.08 -1.74 -2.56 117.51 119.24 1v80 h ILE 23 Ca -0.42 -1.11 0.05 0.00 -0.39 0.00 0.00 64.86 62.98 1v80 h ILE 23 Cb 1.24 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 1v80 h ILE 23 CO 0.75 0.31 0.28 1.05 -0.69 0.00 0.00 178.15 179.85 1v80 h GLU 24 N -0.24 0.00 0.07 2.37 4.11 -1.80 0.65 114.58 119.73 1v80 h GLU 24 Ca 0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.20 1v80 h GLU 24 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1v80 h GLU 24 CO 0.01 0.00 -1.11 -0.91 0.07 0.00 0.00 179.01 177.07 1v80 h ASN 25 N 0.00 0.23 0.15 3.06 2.35 -1.85 -2.51 115.58 117.01 1v80 h ASN 25 Ca 0.08 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1v80 h ASN 25 Cb 0.64 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1v80 h ASN 25 CO -0.00 1.18 -0.07 0.58 -1.65 0.00 0.00 177.43 177.47 1v80 h VAL 26 N 0.04 0.89 -0.68 2.81 2.07 0.57 -3.12 116.25 118.84 1v80 h VAL 26 Ca -0.07 -1.17 0.11 0.00 0.82 0.00 0.00 66.70 66.39 1v80 h VAL 26 Cb 1.86 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 33.05 1v80 h VAL 26 CO 0.17 0.23 0.27 0.11 0.02 0.00 0.00 177.57 178.37 1v80 h LYS 27 N -0.85 0.43 -0.99 1.57 1.57 -1.05 0.45 116.57 117.69 1v80 h LYS 27 Ca -0.02 -0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.00 1v80 h LYS 27 Cb 0.53 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 1v80 h LYS 27 CO 0.03 0.28 0.68 0.00 -0.57 0.00 0.00 179.45 179.88 1v80 h ALA 28 N 1.48 2.61 0.00 3.86 0.00 -1.48 1.48 119.26 127.21 1v80 h ALA 28 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 1v80 h ALA 28 Cb 0.48 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1v80 h ALA 28 CO -0.35 -0.93 -0.86 0.87 0.00 0.00 0.00 179.25 177.98 1v80 h LYS 29 N 0.19 0.02 0.00 0.00 1.57 -0.06 -3.00 116.57 115.29 1v80 h LYS 29 Ca 0.51 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.19 1v80 h LYS 29 Cb 1.66 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.97 1v80 h LYS 29 CO -0.12 0.87 -0.31 0.82 -0.57 0.00 0.00 179.45 180.14 1v80 h ILE 30 N 0.01 0.77 -0.00 1.86 1.08 0.28 0.35 117.51 121.86 1v80 h ILE 30 Ca -0.01 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1v80 h ILE 30 Cb 1.52 1.84 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1v80 h ILE 30 CO 0.11 0.31 0.00 1.56 -0.69 0.00 0.00 178.15 179.44 1v80 h GLN 31 N 0.00 0.00 0.00 2.37 7.50 -0.66 -1.56 115.11 122.76 1v80 h GLN 31 Ca -0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 1v80 h GLN 31 Cb 0.81 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.33 1v80 h GLN 31 CO 0.04 0.02 -0.36 0.22 -1.50 0.00 0.00 178.83 177.25 1v80 h ASP 32 N -0.02 0.00 -0.81 1.46 1.82 -1.61 1.01 116.42 118.27 1v80 h ASP 32 Ca 0.00 -0.50 0.15 0.00 -0.39 0.00 0.00 57.03 56.29 1v80 h ASP 32 Cb 0.02 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 39.88 1v80 h ASP 32 CO -0.00 0.96 -0.23 0.29 -1.61 0.00 0.00 179.24 178.65 1v80 n LYS 33 N -4.61 -0.10 -0.04 0.28 4.76 0.12 -0.73 118.16 117.84 1v80 n LYS 33 Ca -0.12 1.25 -0.19 0.00 -2.87 0.00 0.00 58.31 56.38 1v80 n LYS 33 Cb 0.38 -1.87 -0.13 0.00 -1.84 0.00 0.00 35.03 31.56 1v80 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1v80 n GLU 34 N -5.29 0.72 -0.15 1.97 -0.58 -0.59 -5.00 120.64 111.72 1v80 n GLU 34 Ca 0.12 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1v80 n GLU 34 Cb 0.39 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1v80 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1v80 n GLY 35 N 2.03 1.11 3.77 0.62 0.00 0.31 -5.06 105.19 107.97 1v80 n GLY 35 Ca -0.35 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1v80 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v80 s ILE 36 N -2.00 4.49 0.47 -0.61 1.09 0.81 -4.92 121.20 120.53 1v80 s ILE 36 Ca 0.00 -0.79 -0.21 0.00 -1.10 0.00 0.00 60.65 58.55 1v80 s ILE 36 Cb 0.00 -3.17 -0.09 0.00 -1.06 0.00 0.00 42.46 38.15 1v80 s ILE 36 CO 0.00 0.12 1.04 -2.16 -0.10 0.00 0.00 174.94 173.84 1v80 s PRO 37 N -2.40 3.86 0.00 2.79 0.04 -1.26 -4.14 135.00 133.88 1v80 s PRO 37 Ca 0.29 1.39 0.22 0.00 0.04 0.00 0.00 61.00 62.93 1v80 s PRO 37 Cb -0.12 -2.16 1.29 0.00 0.04 0.00 0.00 34.50 33.55 1v80 s PRO 37 CO 0.22 -0.39 1.69 -0.35 0.04 0.00 0.00 177.00 178.21 1v80 n PRO 38 N -0.83 0.75 0.18 0.56 -0.04 -1.26 -2.90 135.00 131.47 1v80 n PRO 38 Ca 0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1v80 n PRO 38 Cb 0.52 -1.45 0.34 0.00 -0.04 0.00 0.00 33.50 32.87 1v80 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1v80 h ASP 39 N 0.00 0.00 -0.64 3.54 1.82 -2.04 -3.09 116.42 116.02 1v80 h ASP 39 Ca 0.00 -0.00 -0.44 0.00 -0.39 0.00 0.00 57.03 56.20 1v80 h ASP 39 Cb 0.00 -0.00 -0.42 0.00 0.68 0.00 0.00 39.33 39.59 1v80 h ASP 39 CO 0.00 0.40 -0.93 0.00 -1.61 0.00 0.00 179.24 177.10 1v80 n GLN 40 N -4.07 2.92 -4.61 0.28 6.02 -1.14 -4.97 117.38 111.81 1v80 n GLN 40 Ca -0.02 -3.93 -0.31 0.00 -0.01 0.00 0.00 57.00 52.73 1v80 n GLN 40 Cb 0.42 -2.03 -0.12 0.00 1.02 0.00 0.00 30.24 29.53 1v80 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1v80 s GLN 41 N -3.67 2.22 -0.30 -1.09 -0.21 -1.17 -3.77 119.66 111.68 1v80 s GLN 41 Ca 0.42 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1v80 s GLN 41 Cb 0.38 -2.28 0.19 0.00 1.00 0.00 0.00 33.01 32.29 1v80 s GLN 41 CO 0.01 0.56 0.59 0.50 -2.12 0.00 0.00 175.29 174.83 1v80 s ARG 42 N -1.42 0.56 -0.02 2.91 3.52 -1.19 -5.00 118.95 118.30 1v80 s ARG 42 Ca 0.15 0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 56.35 1v80 s ARG 42 Cb -0.11 0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1v80 s ARG 42 CO 0.06 -0.71 1.00 -1.17 -0.81 0.00 0.00 175.30 173.67 1v80 s LEU 43 N 2.84 4.34 -0.11 -0.88 2.96 -1.26 -2.94 118.68 123.62 1v80 s LEU 43 Ca 0.18 1.65 -0.01 0.00 -0.22 0.00 0.00 54.13 55.73 1v80 s LEU 43 Cb -0.14 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.01 1v80 s LEU 43 CO -0.22 -0.31 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.80 1v80 s ILE 44 N 1.26 0.93 -0.08 6.68 1.01 0.49 -3.39 121.20 128.10 1v80 s ILE 44 Ca 0.51 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 1v80 s ILE 44 Cb -0.21 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1v80 s ILE 44 CO 0.26 0.33 -0.00 0.12 0.00 0.00 0.00 174.94 175.64 1v80 s PHE 45 N 1.74 3.15 -1.37 3.97 5.36 -0.85 0.19 117.98 130.18 1v80 s PHE 45 Ca 0.05 0.18 -0.09 0.00 -0.96 0.00 0.00 56.93 56.11 1v80 s PHE 45 Cb -0.13 -1.78 0.01 0.00 -0.34 0.00 0.00 43.02 40.78 1v80 s PHE 45 CO -0.08 0.46 0.17 0.00 -1.46 0.00 0.00 175.22 174.31 1v80 n ALA 46 N 2.12 -2.10 -4.04 11.12 0.00 -1.26 0.11 120.51 126.47 1v80 n ALA 46 Ca -0.18 -0.44 -0.28 0.00 0.00 0.00 0.00 53.44 52.54 1v80 n ALA 46 Cb 0.54 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1v80 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v80 n GLY 47 N -2.38 -0.24 3.01 0.00 0.00 -1.26 -4.96 105.19 99.36 1v80 n GLY 47 Ca -0.26 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1v80 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v80 s LYS 48 N -6.77 0.37 0.11 1.61 0.00 0.31 -5.14 119.74 110.23 1v80 s LYS 48 Ca 0.03 -0.64 -0.30 0.00 0.00 0.00 0.00 55.97 55.07 1v80 s LYS 48 Cb -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 37.83 37.89 1v80 s LYS 48 CO 0.92 -0.07 1.01 -1.14 0.00 0.00 0.00 175.35 176.08 1v80 s GLN 49 N -1.69 4.64 0.30 1.78 0.74 -1.26 -2.00 119.66 122.17 1v80 s GLN 49 Ca -0.14 1.54 0.06 0.00 0.05 0.00 0.00 55.36 56.88 1v80 s GLN 49 Cb -0.08 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 1v80 s GLN 49 CO -0.01 0.12 0.35 -0.51 -0.55 0.00 0.00 175.29 174.68 1v80 s LEU 50 N 0.10 3.94 0.05 3.68 1.02 -1.22 -4.92 118.68 121.33 1v80 s LEU 50 Ca 0.49 -0.21 0.03 0.00 0.02 0.00 0.00 54.13 54.45 1v80 s LEU 50 Cb -0.25 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.36 1v80 s LEU 50 CO 0.31 -0.26 -0.09 -1.61 0.02 0.00 0.00 176.35 174.73 1v80 s GLU 51 N -4.02 0.57 0.00 1.70 2.02 -1.26 -4.97 118.70 112.74 1v80 s GLU 51 Ca 0.39 -0.79 0.26 0.00 0.02 0.00 0.00 54.97 54.85 1v80 s GLU 51 Cb -0.08 -0.37 1.10 0.00 0.10 0.00 0.00 34.13 34.87 1v80 s GLU 51 CO 0.28 0.07 1.82 -0.40 0.02 0.00 0.00 175.26 177.06 1v80 n ASP 52 N 1.43 0.00 0.06 -0.19 5.75 -1.26 -2.65 116.55 119.69 1v80 n ASP 52 Ca -0.22 0.50 0.09 0.00 -0.01 0.00 0.00 54.79 55.14 1v80 n ASP 52 Cb 0.55 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.08 1v80 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1v80 n GLY 53 N 1.15 -1.31 0.00 6.12 0.00 -1.26 -4.55 105.19 105.34 1v80 n GLY 53 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1v80 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v80 n ARG 54 N -2.63 0.20 -3.96 1.61 5.12 -1.09 -5.05 116.66 110.86 1v80 n ARG 54 Ca -0.03 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.80 1v80 n ARG 54 Cb 0.62 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.84 1v80 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1v80 s THR 55 N -0.73 0.11 0.03 0.55 -4.23 -1.26 -4.25 115.64 105.85 1v80 s THR 55 Ca 0.00 -1.42 -0.27 0.00 -1.18 0.00 0.00 61.69 58.82 1v80 s THR 55 Cb 0.00 -1.69 -0.17 0.00 1.34 0.00 0.00 72.50 71.99 1v80 s THR 55 CO 0.00 -0.48 1.33 -0.07 -0.54 0.00 0.00 174.62 174.86 1v80 h LEU 56 N 2.69 -0.51 -2.10 4.79 3.38 -1.74 0.65 115.31 122.47 1v80 h LEU 56 Ca -0.33 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1v80 h LEU 56 Cb 1.21 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1v80 h LEU 56 CO 0.53 -0.20 0.07 -1.28 0.09 0.00 0.00 178.44 177.65 1v80 h SER 57 N -0.85 0.00 0.26 -0.43 0.87 -1.39 0.66 113.55 112.67 1v80 h SER 57 Ca -0.06 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.16 1v80 h SER 57 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1v80 h SER 57 CO 0.10 0.00 -1.90 0.47 -0.53 0.00 0.00 176.83 174.97 1v80 n ASP 58 N -2.65 1.62 -0.47 6.23 8.00 -0.84 -3.85 116.55 124.59 1v80 n ASP 58 Ca -0.02 0.28 0.03 0.00 0.71 0.00 0.00 54.79 55.79 1v80 n ASP 58 Cb 0.12 -0.53 0.09 0.00 -0.02 0.00 0.00 41.12 40.78 1v80 n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1v80 n TYR 59 N -3.30 0.32 -0.92 1.24 4.01 0.22 -4.82 117.16 113.90 1v80 n TYR 59 Ca -0.26 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1v80 n TYR 59 Cb 1.05 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 1v80 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1v80 n ASN 60 N 0.09 -2.99 -4.74 7.72 5.15 -0.30 -4.94 115.26 115.24 1v80 n ASN 60 Ca 0.07 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.63 1v80 n ASN 60 Cb 0.24 -1.67 -0.02 0.00 -0.53 0.00 0.00 39.78 37.79 1v80 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1v80 s ILE 61 N -1.87 2.71 0.00 -1.44 1.01 0.20 -4.95 121.20 116.86 1v80 s ILE 61 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1v80 s ILE 61 Cb 0.00 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1v80 s ILE 61 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 174.94 175.03 1v80 n GLN 62 N 2.44 0.00 -2.51 2.79 10.64 -1.26 -3.90 117.38 125.57 1v80 n GLN 62 Ca 0.07 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.83 1v80 n GLN 62 Cb 0.40 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.75 1v80 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1v80 s LYS 63 N 1.18 4.58 -0.47 2.61 -2.85 -1.26 -3.26 119.74 120.27 1v80 s LYS 63 Ca 0.00 1.71 -0.03 0.00 -1.00 0.00 0.00 55.97 56.66 1v80 s LYS 63 Cb 0.00 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 1v80 s LYS 63 CO 0.00 0.04 0.34 0.39 0.10 0.00 0.00 175.35 176.23 1v80 n GLU 64 N 2.54 -2.38 -3.37 1.78 1.02 -0.23 -4.92 120.64 115.07 1v80 n GLU 64 Ca 0.03 0.29 -0.44 0.00 -0.02 0.00 0.00 57.16 57.02 1v80 n GLU 64 Cb 0.46 -3.72 -0.08 0.00 -0.02 0.00 0.00 31.44 28.09 1v80 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1v80 s SER 65 N -3.05 6.15 -0.33 1.62 0.01 -1.20 -4.82 113.70 112.08 1v80 s SER 65 Ca 0.17 -1.25 -0.25 0.00 1.31 0.00 0.00 55.95 55.94 1v80 s SER 65 Cb -0.07 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1v80 s SER 65 CO 0.21 -0.65 0.86 -0.89 0.41 0.00 0.00 173.24 173.18 1v80 s THR 66 N 1.73 4.69 0.00 1.44 2.01 -1.25 0.75 115.64 125.01 1v80 s THR 66 Ca 0.05 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.28 1v80 s THR 66 Cb -0.23 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.04 1v80 s THR 66 CO 0.07 -0.38 0.00 0.18 -0.69 0.00 0.00 174.62 173.81 1v80 n LEU 67 N 6.47 0.00 -3.97 4.42 4.32 0.55 -4.48 117.00 124.30 1v80 n LEU 67 Ca 0.06 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.85 1v80 n LEU 67 Cb 0.48 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.12 1v80 n LEU 67 CO 0.54 -0.29 -0.43 -1.00 -1.22 0.00 0.00 177.39 174.99 1v80 s HIS 68 N 1.31 0.86 -0.35 -1.77 3.76 0.52 0.19 115.29 119.80 1v80 s HIS 68 Ca 0.00 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1v80 s HIS 68 Cb 0.00 -0.64 0.08 0.00 1.11 0.00 0.00 32.58 33.14 1v80 s HIS 68 CO 0.00 -0.11 0.09 -1.17 -0.85 0.00 0.00 174.74 172.70 1v80 s LEU 69 N 0.31 4.61 0.16 0.89 2.96 0.46 -0.38 118.68 127.68 1v80 s LEU 69 Ca -0.05 -1.74 0.05 0.00 -0.22 0.00 0.00 54.13 52.18 1v80 s LEU 69 Cb -0.09 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1v80 s LEU 69 CO 0.00 -0.40 0.13 0.68 -1.32 0.00 0.00 176.35 175.44 1v80 s VAL 70 N 1.15 4.46 0.13 1.68 -7.23 -1.15 -3.00 120.40 116.42 1v80 s VAL 70 Ca 0.03 -1.07 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1v80 s VAL 70 Cb -0.21 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 1v80 s VAL 70 CO -0.04 -0.09 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.28 1v80 s LEU 71 N -3.04 2.38 0.00 1.32 2.96 -1.26 -3.15 118.68 117.89 1v80 s LEU 71 Ca 0.31 -0.78 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1v80 s LEU 71 Cb -0.10 -0.69 0.05 0.00 0.50 0.00 0.00 46.19 45.94 1v80 s LEU 71 CO 0.23 -0.07 0.41 -1.14 -1.32 0.00 0.00 176.35 174.46 1v80 n ARG 72 N 0.63 0.84 -1.94 1.98 0.63 -1.25 -5.06 116.66 112.49 1v80 n ARG 72 Ca -0.16 -2.03 -0.16 0.00 -0.92 0.00 0.00 57.85 54.58 1v80 n ARG 72 Cb 0.56 -0.01 0.08 0.00 0.45 0.00 0.00 32.46 33.55 1v80 n ARG 72 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1v80 n LEU 73 N 0.00 0.00 -4.31 6.15 -0.00 -1.26 -4.92 117.00 112.67 1v80 n LEU 73 Ca 0.06 -1.43 -0.57 0.00 -0.00 0.00 0.00 56.01 54.07 1v80 n LEU 73 Cb 0.38 -0.45 -0.11 0.00 -0.00 0.00 0.00 43.42 43.24 1v80 n LEU 73 CO 0.24 -0.84 1.78 -2.11 -0.00 0.00 0.00 177.39 176.46 1v80 n ARG 74 N -2.28 0.21 -0.36 1.47 1.85 -1.26 -4.78 116.66 111.51 1v80 n ARG 74 Ca 0.11 0.05 -0.09 0.00 -1.00 0.00 0.00 57.85 56.93 1v80 n ARG 74 Cb 0.40 -1.69 -0.06 0.00 -1.05 0.00 0.00 32.46 30.06 1v80 n ARG 74 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1v80 h GLY 75 N 9.93 -0.59 -1.53 2.89 0.00 -1.93 -3.54 103.07 108.29 1v80 h GLY 75 Ca -0.13 0.70 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1v80 h GLY 75 CO 1.10 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 178.20