#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v81 s GLN 2 N 0.00 2.04 0.12 0.03 1.03 -1.26 0.72 119.66 122.34 1v81 s GLN 2 Ca 0.00 -1.04 -0.00 0.00 0.04 0.00 0.00 55.36 54.36 1v81 s GLN 2 Cb 0.00 -2.23 0.00 0.00 0.03 0.00 0.00 33.01 30.81 1v81 s GLN 2 CO 0.00 0.52 0.16 0.44 -2.54 0.00 0.00 175.29 173.87 1v81 n ILE 3 N 1.02 0.00 -4.02 3.63 -5.35 -1.19 0.18 119.36 113.63 1v81 n ILE 3 Ca -0.15 -0.63 -0.08 0.00 -0.27 0.00 0.00 62.75 61.62 1v81 n ILE 3 Cb 0.52 0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 38.71 1v81 n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1v81 s PHE 4 N -4.17 0.39 0.08 4.28 0.08 0.45 -2.78 117.98 116.32 1v81 s PHE 4 Ca 0.10 -0.87 0.05 0.00 0.12 0.00 0.00 56.93 56.33 1v81 s PHE 4 Cb -0.00 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 1v81 s PHE 4 CO 0.07 -0.39 -0.13 0.08 -0.10 0.00 0.00 175.22 174.76 1v81 s VAL 5 N -3.50 1.08 0.00 -0.44 1.01 -1.25 -1.38 120.40 115.92 1v81 s VAL 5 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1v81 s VAL 5 Cb 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1v81 s VAL 5 CO -0.09 -0.32 0.00 1.17 0.00 0.00 0.00 175.10 175.87 1v81 n LYS 6 N 1.06 2.51 0.00 2.72 3.00 0.42 -3.45 118.16 124.44 1v81 n LYS 6 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 1v81 n LYS 6 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 1v81 n LYS 6 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1v81 n THR 7 N -0.27 0.00 0.19 3.15 5.66 -1.26 -3.75 114.28 118.00 1v81 n THR 7 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1v81 n THR 7 Cb 0.00 0.00 0.68 0.00 -1.55 0.00 0.00 70.33 69.46 1v81 n THR 7 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1v81 h LEU 8 N 0.00 0.00 -0.91 1.09 3.38 -1.91 0.84 115.31 117.81 1v81 h LEU 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1v81 h LEU 8 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v81 h LEU 8 CO 0.00 0.00 -0.31 0.35 0.09 0.00 0.00 178.44 178.57 1v81 n THR 9 N -2.38 0.00 -3.24 0.22 -2.24 -1.26 -5.01 114.28 100.38 1v81 n THR 9 Ca -0.02 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 1v81 n THR 9 Cb 0.05 0.90 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 1v81 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v81 n GLY 10 N 1.36 -0.85 0.65 3.38 0.00 0.29 -5.03 105.19 104.99 1v81 n GLY 10 Ca 0.12 0.99 -0.05 0.00 0.00 0.00 0.00 46.02 47.08 1v81 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v81 n LYS 11 N -0.90 0.61 -3.78 1.61 5.02 -1.26 -4.94 118.16 114.52 1v81 n LYS 11 Ca -0.03 -0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 55.46 1v81 n LYS 11 Cb 0.57 0.42 -0.12 0.00 -0.02 0.00 0.00 35.03 35.88 1v81 n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v81 s THR 12 N -1.98 -0.01 -0.11 -0.18 2.01 -1.22 -3.99 115.64 110.16 1v81 s THR 12 Ca 0.05 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1v81 s THR 12 Cb 0.00 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1v81 s THR 12 CO 0.04 0.02 -0.14 0.27 -0.69 0.00 0.00 174.62 174.11 1v81 s ILE 13 N 0.46 1.47 -0.62 1.82 -5.25 -1.24 -4.88 121.20 112.96 1v81 s ILE 13 Ca -0.03 -0.61 -0.25 0.00 -0.99 0.00 0.00 60.65 58.77 1v81 s ILE 13 Cb -0.04 -1.36 0.04 0.00 2.95 0.00 0.00 42.46 44.05 1v81 s ILE 13 CO -0.02 0.44 1.07 -0.89 -1.79 0.00 0.00 174.94 173.74 1v81 s THR 14 N 1.11 4.16 0.45 8.37 2.01 -1.26 -3.74 115.64 126.75 1v81 s THR 14 Ca -0.04 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.34 1v81 s THR 14 Cb -0.14 -4.69 0.01 0.00 0.01 0.00 0.00 72.50 67.70 1v81 s THR 14 CO -0.03 -1.38 0.53 -0.76 -0.69 0.00 0.00 174.62 172.28 1v81 s LEU 15 N 4.54 3.41 -0.56 4.42 2.01 -1.12 -4.95 118.68 126.44 1v81 s LEU 15 Ca 0.32 -0.66 0.06 0.00 0.01 0.00 0.00 54.13 53.87 1v81 s LEU 15 Cb -0.11 -2.19 0.23 0.00 0.01 0.00 0.00 46.19 44.13 1v81 s LEU 15 CO 0.18 -0.84 0.61 -1.84 1.01 0.00 0.00 176.35 175.46 1v81 n GLU 16 N -1.81 1.69 -3.31 1.70 0.28 -1.25 -3.15 120.64 114.79 1v81 n GLU 16 Ca 0.07 -4.09 -0.22 0.00 -0.16 0.00 0.00 57.16 52.76 1v81 n GLU 16 Cb 0.61 -1.90 0.05 0.00 1.43 0.00 0.00 31.44 31.62 1v81 n GLU 16 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1v81 n VAL 17 N 1.35 0.00 -4.40 3.84 0.24 0.22 -4.65 118.33 114.93 1v81 n VAL 17 Ca 0.26 -2.06 -0.28 0.00 -2.04 0.00 0.00 64.34 60.21 1v81 n VAL 17 Cb 0.44 -0.34 -0.12 0.00 -1.47 0.00 0.00 33.84 32.35 1v81 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1v81 s GLU 18 N -4.56 1.49 0.00 7.34 2.02 -1.26 0.20 118.70 123.92 1v81 s GLU 18 Ca 0.52 -1.42 0.23 0.00 0.02 0.00 0.00 54.97 54.32 1v81 s GLU 18 Cb -0.04 -1.89 1.17 0.00 0.10 0.00 0.00 34.13 33.46 1v81 s GLU 18 CO 0.33 0.43 1.74 -0.35 0.02 0.00 0.00 175.26 177.43 1v81 n PRO 19 N 0.59 0.35 -0.11 0.39 -0.04 -1.26 -2.03 135.00 132.89 1v81 n PRO 19 Ca -0.15 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1v81 n PRO 19 Cb 0.54 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.61 1v81 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v81 n SER 20 N -1.27 2.52 -4.86 3.54 7.64 -1.26 -0.29 113.62 119.63 1v81 n SER 20 Ca 0.11 -1.80 -0.33 0.00 1.01 0.00 0.00 58.87 57.86 1v81 n SER 20 Cb 0.17 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 1v81 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1v81 s ASP 21 N -0.95 6.69 0.37 6.43 1.11 -0.86 -4.89 116.67 124.57 1v81 s ASP 21 Ca 0.18 0.97 -0.24 0.00 0.18 0.00 0.00 52.55 53.63 1v81 s ASP 21 Cb 0.10 -2.24 -0.10 0.00 1.07 0.00 0.00 42.92 41.75 1v81 s ASP 21 CO 0.14 0.00 0.98 0.28 1.18 0.00 0.00 175.17 177.76 1v81 s THR 22 N -1.67 4.06 0.24 -1.27 -1.32 -1.26 -2.02 115.64 112.39 1v81 s THR 22 Ca 0.43 1.58 -0.13 0.00 -1.21 0.00 0.00 61.69 62.36 1v81 s THR 22 Cb -0.13 -3.82 0.30 0.00 -1.51 0.00 0.00 72.50 67.35 1v81 s THR 22 CO 0.20 0.02 1.47 -0.38 -2.21 0.00 0.00 174.62 173.72 1v81 n ILE 23 N 0.13 -0.46 -0.09 5.08 2.08 -1.04 -0.57 119.36 124.48 1v81 n ILE 23 Ca 0.04 2.20 -0.04 0.00 0.56 0.00 0.00 62.75 65.51 1v81 n ILE 23 Cb 0.51 -2.96 -0.03 0.00 -0.75 0.00 0.00 39.64 36.40 1v81 n ILE 23 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1v81 h GLU 24 N 0.00 -0.06 -0.88 0.38 4.39 -1.85 2.19 114.58 118.74 1v81 h GLU 24 Ca 0.38 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.17 1v81 h GLU 24 Cb 0.61 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.16 1v81 h GLU 24 CO -0.95 -0.04 -0.56 -0.97 -1.16 0.00 0.00 179.01 175.32 1v81 h ASN 25 N -0.06 -2.03 -0.92 1.42 -0.00 -1.21 2.31 115.58 115.09 1v81 h ASN 25 Ca 0.04 0.31 0.09 0.00 -0.00 0.00 0.00 56.30 56.74 1v81 h ASN 25 Cb 0.16 0.90 -0.07 0.00 -0.00 0.00 0.00 38.32 39.31 1v81 h ASN 25 CO -0.25 -0.27 0.59 0.58 -0.00 0.00 0.00 177.43 178.08 1v81 h VAL 26 N -0.08 0.99 0.00 2.57 2.07 -0.43 1.02 116.25 122.39 1v81 h VAL 26 Ca 0.16 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1v81 h VAL 26 Cb 0.46 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1v81 h VAL 26 CO -0.88 0.17 0.00 1.17 0.02 0.00 0.00 177.57 178.06 1v81 n LYS 27 N -4.53 0.73 -0.10 1.57 4.81 0.73 -3.16 118.16 118.21 1v81 n LYS 27 Ca 0.16 0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.38 1v81 n LYS 27 Cb 0.29 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 1v81 n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v81 n ALA 28 N -1.11 1.14 0.02 3.14 0.00 0.68 -3.90 120.51 120.48 1v81 n ALA 28 Ca 0.19 -0.89 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1v81 n ALA 28 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 1v81 n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1v81 h LYS 29 N -0.41 -0.10 -0.46 0.00 1.57 -0.77 -0.41 116.57 115.99 1v81 h LYS 29 Ca -0.54 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.29 1v81 h LYS 29 Cb 1.76 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 34.03 1v81 h LYS 29 CO -0.16 -0.07 -0.32 -0.84 -0.57 0.00 0.00 179.45 177.49 1v81 h ILE 30 N -0.11 0.00 -1.35 1.86 3.07 -1.80 2.29 117.51 121.47 1v81 h ILE 30 Ca -0.00 0.00 0.39 0.00 1.55 0.00 0.00 64.86 66.80 1v81 h ILE 30 Cb 0.10 0.00 -0.05 0.00 -0.27 0.00 0.00 36.82 36.60 1v81 h ILE 30 CO -0.03 0.00 1.19 1.56 -1.05 0.00 0.00 178.15 179.82 1v81 h GLN 31 N -0.06 0.00 0.00 0.16 1.08 -1.64 0.66 115.11 115.31 1v81 h GLN 31 Ca 0.08 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.03 1v81 h GLN 31 Cb 0.25 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1v81 h GLN 31 CO -0.47 0.00 -1.34 -0.25 -0.95 0.00 0.00 178.83 175.83 1v81 n ASP 32 N -3.64 1.87 -0.28 1.46 8.00 0.63 0.11 116.55 124.69 1v81 n ASP 32 Ca 0.30 0.41 -0.10 0.00 0.71 0.00 0.00 54.79 56.11 1v81 n ASP 32 Cb 1.60 -0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 41.67 1v81 n ASP 32 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1v81 h LYS 33 N -0.99 -0.17 0.10 -1.24 1.79 0.85 -2.32 116.57 114.59 1v81 h LYS 33 Ca -0.37 0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 57.96 1v81 h LYS 33 Cb 1.33 0.04 0.02 0.00 -1.58 0.00 0.00 32.23 32.04 1v81 h LYS 33 CO -0.22 -0.11 -0.66 1.05 -1.08 0.00 0.00 179.45 178.43 1v81 h GLU 34 N -0.18 0.26 0.00 3.15 9.09 -1.20 -3.49 114.58 122.21 1v81 h GLU 34 Ca 0.15 -0.42 0.00 0.00 0.05 0.00 0.00 59.36 59.14 1v81 h GLU 34 Cb 0.52 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 1v81 h GLU 34 CO -0.78 1.19 0.00 0.41 0.05 0.00 0.00 179.01 179.88 1v81 n GLY 35 N 1.59 0.64 2.98 1.06 0.00 -0.33 -5.09 105.19 106.04 1v81 n GLY 35 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1v81 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1v81 s ILE 36 N -0.83 0.46 0.29 -0.61 2.07 0.29 -4.97 121.20 117.89 1v81 s ILE 36 Ca 0.00 -0.36 -0.29 0.00 -1.41 0.00 0.00 60.65 58.59 1v81 s ILE 36 Cb 0.00 -0.41 -0.09 0.00 0.13 0.00 0.00 42.46 42.08 1v81 s ILE 36 CO 0.00 0.06 1.08 -2.16 -1.91 0.00 0.00 174.94 172.01 1v81 s PRO 37 N -0.33 4.62 0.00 3.50 0.04 -1.26 -4.16 135.00 137.40 1v81 s PRO 37 Ca 0.01 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.02 1v81 s PRO 37 Cb -0.03 -3.14 1.12 0.00 0.04 0.00 0.00 34.50 32.48 1v81 s PRO 37 CO -0.00 0.21 1.74 -0.35 0.04 0.00 0.00 177.00 178.64 1v81 n PRO 38 N 1.11 0.28 0.00 0.56 -0.04 -1.26 -2.59 135.00 133.05 1v81 n PRO 38 Ca -0.01 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1v81 n PRO 38 Cb 0.45 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.94 1v81 n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1v81 n ASP 39 N -1.32 0.00 -0.05 3.54 9.92 -1.26 -2.35 116.55 125.04 1v81 n ASP 39 Ca 0.10 -0.20 -0.04 0.00 -0.53 0.00 0.00 54.79 54.12 1v81 n ASP 39 Cb 0.19 -0.19 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1v81 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v81 n GLN 40 N -1.19 2.00 -3.94 -1.24 3.00 -1.07 -4.84 117.38 110.10 1v81 n GLN 40 Ca 0.11 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.99 1v81 n GLN 40 Cb 0.13 -1.28 -0.10 0.00 0.00 0.00 0.00 30.24 28.99 1v81 n GLN 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1v81 s GLN 41 N -2.33 0.53 0.22 -1.09 1.03 -0.99 -2.38 119.66 114.65 1v81 s GLN 41 Ca -0.05 -0.71 0.05 0.00 0.04 0.00 0.00 55.36 54.69 1v81 s GLN 41 Cb 0.04 0.21 -0.05 0.00 0.03 0.00 0.00 33.01 33.23 1v81 s GLN 41 CO 0.45 -0.12 -0.06 1.03 -2.54 0.00 0.00 175.29 174.04 1v81 s ARG 42 N -2.33 1.33 0.14 9.60 0.52 -1.26 -4.45 118.95 122.51 1v81 s ARG 42 Ca -0.07 -1.64 -0.02 0.00 -0.52 0.00 0.00 55.73 53.47 1v81 s ARG 42 Cb -0.03 -0.85 -0.05 0.00 0.52 0.00 0.00 34.95 34.55 1v81 s ARG 42 CO -0.03 0.02 0.34 -0.51 0.02 0.00 0.00 175.30 175.14 1v81 s LEU 43 N -3.31 4.28 0.10 2.53 2.01 -1.26 -3.37 118.68 119.66 1v81 s LEU 43 Ca 0.25 0.43 0.05 0.00 0.01 0.00 0.00 54.13 54.87 1v81 s LEU 43 Cb 0.03 -3.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.03 1v81 s LEU 43 CO 0.07 0.05 -0.12 -0.63 1.01 0.00 0.00 176.35 176.74 1v81 s ILE 44 N -1.70 1.09 -0.30 -0.59 -1.09 -0.17 -2.86 121.20 115.59 1v81 s ILE 44 Ca 0.38 -1.65 -0.11 0.00 -2.23 0.00 0.00 60.65 57.04 1v81 s ILE 44 Cb -0.12 -1.40 0.13 0.00 -1.58 0.00 0.00 42.46 39.49 1v81 s ILE 44 CO 0.27 -0.49 0.73 0.12 -1.23 0.00 0.00 174.94 174.34 1v81 s PHE 45 N -2.26 -1.18 0.00 3.97 5.36 -1.15 -0.25 117.98 122.47 1v81 s PHE 45 Ca 0.06 2.06 0.00 0.00 -0.96 0.00 0.00 56.93 58.10 1v81 s PHE 45 Cb -0.04 0.71 0.00 0.00 -0.34 0.00 0.00 43.02 43.35 1v81 s PHE 45 CO 0.01 -0.59 0.00 0.00 -1.46 0.00 0.00 175.22 173.19 1v81 n ALA 46 N 5.26 0.00 -0.65 11.12 0.00 -1.26 -2.32 120.51 132.66 1v81 n ALA 46 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1v81 n ALA 46 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1v81 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v81 n GLY 47 N -2.09 0.61 3.64 0.00 0.00 -1.26 -5.06 105.19 101.02 1v81 n GLY 47 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1v81 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v81 s LYS 48 N -1.13 2.21 -0.28 1.61 -2.85 -0.98 -5.09 119.74 113.24 1v81 s LYS 48 Ca 0.00 -1.52 -0.29 0.00 -1.00 0.00 0.00 55.97 53.16 1v81 s LYS 48 Cb 0.00 -2.09 0.01 0.00 -2.06 0.00 0.00 37.83 33.69 1v81 s LYS 48 CO 0.00 0.30 1.14 -1.14 0.10 0.00 0.00 175.35 175.75 1v81 s GLN 49 N -3.69 4.10 -0.31 1.78 0.74 -1.26 -2.94 119.66 118.08 1v81 s GLN 49 Ca 0.33 1.25 -0.27 0.00 0.05 0.00 0.00 55.36 56.71 1v81 s GLN 49 Cb -0.05 -3.75 0.01 0.00 1.10 0.00 0.00 33.01 30.32 1v81 s GLN 49 CO 0.20 -0.86 0.97 -0.51 -0.55 0.00 0.00 175.29 174.53 1v81 s LEU 50 N 3.69 4.00 0.30 3.68 1.02 -1.13 -4.99 118.68 125.25 1v81 s LEU 50 Ca 0.49 0.94 0.06 0.00 0.02 0.00 0.00 54.13 55.63 1v81 s LEU 50 Cb -0.15 -3.38 -0.06 0.00 0.02 0.00 0.00 46.19 42.62 1v81 s LEU 50 CO 0.15 -0.77 -0.02 -0.70 0.02 0.00 0.00 176.35 175.02 1v81 s GLU 51 N 3.37 1.62 0.00 1.70 2.56 -1.26 -4.64 118.70 122.05 1v81 s GLU 51 Ca 0.41 -1.85 0.12 0.00 0.00 0.00 0.00 54.97 53.64 1v81 s GLU 51 Cb -0.13 -1.15 0.57 0.00 2.00 0.00 0.00 34.13 35.42 1v81 s GLU 51 CO 0.14 -0.02 1.30 -3.47 -0.56 0.00 0.00 175.26 172.65 1v81 n ASP 52 N -0.65 0.00 -0.03 -1.70 -0.08 -1.26 -3.88 116.55 108.95 1v81 n ASP 52 Ca -0.05 0.21 -0.01 0.00 -1.51 0.00 0.00 54.79 53.43 1v81 n ASP 52 Cb 0.64 -0.34 -0.01 0.00 2.34 0.00 0.00 41.12 43.76 1v81 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1v81 n GLY 53 N -0.29 -2.15 0.00 0.27 0.00 -1.26 -4.53 105.19 97.23 1v81 n GLY 53 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1v81 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v81 n ARG 54 N -2.92 3.90 -4.11 1.61 5.12 -1.25 -5.02 116.66 114.00 1v81 n ARG 54 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 1v81 n ARG 54 Cb 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.30 1v81 n ARG 54 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1v81 n THR 55 N 0.00 0.00 -0.17 0.55 -2.24 -1.26 -2.48 114.28 108.68 1v81 n THR 55 Ca 0.00 -2.28 -0.05 0.00 -2.27 0.00 0.00 64.05 59.45 1v81 n THR 55 Cb 0.00 0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 1v81 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1v81 h LEU 56 N 0.00 0.42 -0.02 3.22 3.38 -1.51 0.14 115.31 120.94 1v81 h LEU 56 Ca -0.38 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1v81 h LEU 56 Cb 1.30 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1v81 h LEU 56 CO 0.60 0.29 -0.17 0.77 0.09 0.00 0.00 178.44 180.03 1v81 h SER 57 N 0.55 -0.49 -0.07 -0.43 4.64 -0.81 2.02 113.55 118.96 1v81 h SER 57 Ca 0.22 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.63 1v81 h SER 57 Cb 0.09 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1v81 h SER 57 CO -0.13 -0.23 0.07 0.44 -0.87 0.00 0.00 176.83 176.11 1v81 h ASP 58 N -0.26 0.00 -0.10 4.97 3.32 -1.68 0.50 116.42 123.17 1v81 h ASP 58 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1v81 h ASP 58 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1v81 h ASP 58 CO -0.17 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.13 1v81 n TYR 59 N -3.98 0.10 -1.08 4.55 4.02 0.30 -4.90 117.16 116.17 1v81 n TYR 59 Ca -0.01 -0.05 -0.03 0.00 -0.01 0.00 0.00 57.90 57.80 1v81 n TYR 59 Cb 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.48 1v81 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1v81 n ASN 60 N 0.79 -4.49 -4.57 7.72 3.02 0.21 -4.90 115.26 113.03 1v81 n ASN 60 Ca 0.17 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.39 1v81 n ASN 60 Cb 0.47 -2.23 -0.02 0.00 -0.61 0.00 0.00 39.78 37.39 1v81 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1v81 s ILE 61 N -1.71 3.93 0.01 2.41 1.01 0.63 -4.92 121.20 122.55 1v81 s ILE 61 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 60.65 59.49 1v81 s ILE 61 Cb 0.00 -5.00 0.00 0.00 0.01 0.00 0.00 42.46 37.47 1v81 s ILE 61 CO 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 174.94 173.11 1v81 n GLN 62 N 8.67 0.07 -0.70 2.79 1.13 -1.26 -4.16 117.38 123.92 1v81 n GLN 62 Ca 0.40 -0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 55.15 1v81 n GLN 62 Cb 0.49 -0.01 0.21 0.00 0.11 0.00 0.00 30.24 31.04 1v81 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1v81 s LYS 63 N -2.95 -0.06 -1.35 -1.09 2.20 -1.26 -3.55 119.74 111.69 1v81 s LYS 63 Ca 0.00 1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 56.47 1v81 s LYS 63 Cb -0.00 -1.64 0.02 0.00 -1.51 0.00 0.00 37.83 34.69 1v81 s LYS 63 CO 0.00 -3.20 0.43 0.39 -0.36 0.00 0.00 175.35 172.62 1v81 n GLU 64 N -4.57 -1.20 -2.41 4.03 1.02 0.46 -4.93 120.64 113.04 1v81 n GLU 64 Ca 0.06 0.20 -0.21 0.00 -0.02 0.00 0.00 57.16 57.19 1v81 n GLU 64 Cb 0.54 -3.47 0.11 0.00 -0.02 0.00 0.00 31.44 28.59 1v81 n GLU 64 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1v81 n SER 65 N -2.62 1.27 -3.35 1.62 3.41 -1.23 -4.83 113.62 107.88 1v81 n SER 65 Ca -0.22 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.24 1v81 n SER 65 Cb 0.63 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 1v81 n SER 65 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1v81 s THR 66 N -2.77 -0.59 0.25 6.66 2.01 -1.21 -0.41 115.64 119.58 1v81 s THR 66 Ca 0.60 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 1v81 s THR 66 Cb -0.03 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1v81 s THR 66 CO 0.40 -0.16 0.47 -0.76 -0.69 0.00 0.00 174.62 173.88 1v81 s LEU 67 N 2.53 4.14 -0.22 4.42 2.01 -0.48 -4.82 118.68 126.26 1v81 s LEU 67 Ca 0.12 0.54 -0.06 0.00 0.01 0.00 0.00 54.13 54.75 1v81 s LEU 67 Cb -0.15 -3.34 -0.02 0.00 0.01 0.00 0.00 46.19 42.69 1v81 s LEU 67 CO -0.18 -0.13 0.02 -1.00 1.01 0.00 0.00 176.35 176.08 1v81 s HIS 68 N -1.99 3.05 0.31 0.29 3.76 0.65 0.16 115.29 121.53 1v81 s HIS 68 Ca 0.41 -0.47 -0.27 0.00 -0.15 0.00 0.00 55.06 54.58 1v81 s HIS 68 Cb -0.11 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 31.35 1v81 s HIS 68 CO 0.30 -0.29 0.95 -0.51 -0.85 0.00 0.00 174.74 174.33 1v81 s LEU 69 N 1.22 4.38 0.33 0.89 1.43 -1.25 -1.00 118.68 124.68 1v81 s LEU 69 Ca 0.04 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1v81 s LEU 69 Cb -0.15 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1v81 s LEU 69 CO 0.02 -0.05 0.51 0.68 0.23 0.00 0.00 176.35 177.73 1v81 s VAL 70 N -1.55 4.93 -1.41 -1.59 -7.23 -1.22 -4.57 120.40 107.76 1v81 s VAL 70 Ca 0.49 -0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 59.90 1v81 s VAL 70 Cb -0.20 -3.78 -0.07 0.00 0.56 0.00 0.00 36.38 32.90 1v81 s VAL 70 CO 0.25 -0.44 2.62 0.18 -0.31 0.00 0.00 175.10 177.40 1v81 n LEU 71 N -1.71 7.42 0.00 1.32 4.32 -1.26 -4.78 117.00 122.32 1v81 n LEU 71 Ca -0.05 -3.94 0.04 0.00 -0.02 0.00 0.00 56.01 52.05 1v81 n LEU 71 Cb 0.57 -1.45 -0.01 0.00 -1.62 0.00 0.00 43.42 40.90 1v81 n LEU 71 CO 0.47 1.49 -0.06 0.54 -1.22 0.00 0.00 177.39 178.61 1v81 n ARG 72 N 4.28 -0.65 -0.05 3.23 1.74 -1.26 -4.75 116.66 119.20 1v81 n ARG 72 Ca 0.66 0.43 -0.07 0.00 -0.77 0.00 0.00 57.85 58.10 1v81 n ARG 72 Cb 0.24 -0.80 0.06 0.00 -1.02 0.00 0.00 32.46 30.95 1v81 n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1v81 n LEU 73 N 0.00 0.00 -4.16 0.55 4.32 -1.00 -4.88 117.00 111.83 1v81 n LEU 73 Ca 0.00 -0.19 -0.36 0.00 -0.02 0.00 0.00 56.01 55.45 1v81 n LEU 73 Cb 0.15 -0.22 0.05 0.00 -1.62 0.00 0.00 43.42 41.79 1v81 n LEU 73 CO 0.00 -1.79 -0.86 -2.11 -1.22 0.00 0.00 177.39 171.41 1v81 n ARG 74 N -2.78 -0.03 0.00 3.23 0.00 -1.26 -4.76 116.66 111.06 1v81 n ARG 74 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1v81 n ARG 74 Cb 0.13 -1.25 0.00 0.00 -0.00 0.00 0.00 32.46 31.34 1v81 n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1v81 n GLY 75 N 2.79 -0.05 0.00 2.89 0.00 -1.26 -5.17 105.19 104.39 1v81 n GLY 75 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1v81 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93