#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 3.19 0.06 0.03 -2.07 -1.26 -3.41 119.66 116.21 1v81 s GLN 2 Ca 0.00 -0.05 0.01 0.00 -1.82 0.00 0.00 55.36 53.50 1v81 s GLN 2 Cb 0.00 -4.17 0.01 0.00 -1.09 0.00 0.00 33.01 27.76 1v81 s GLN 2 CO 0.00 -2.12 0.07 0.44 -1.32 0.00 0.00 175.29 172.36 1v81 n ILE 3 N 6.52 0.00 -4.05 3.63 -5.35 -1.17 0.19 119.36 119.13 1v81 n ILE 3 Ca 0.06 -0.23 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 1v81 n ILE 3 Cb 0.49 -0.71 -0.11 0.00 -1.74 0.00 0.00 39.64 37.58 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 0.17 0.47 0.00 4.28 0.08 0.62 -2.72 117.98 120.88 1v81 s PHE 4 Ca 0.05 -0.79 0.05 0.00 0.12 0.00 0.00 56.93 56.36 1v81 s PHE 4 Cb -0.00 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 1v81 s PHE 4 CO 0.03 -0.26 -0.14 0.08 -0.10 0.00 0.00 175.22 174.84 1v81 s VAL 5 N -2.70 1.13 0.00 -0.44 1.01 -1.13 -2.06 120.40 116.21 1v81 s VAL 5 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1v81 s VAL 5 Cb -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1v81 s VAL 5 CO -0.05 0.24 0.00 1.17 0.00 0.00 0.00 175.10 176.46 1v81 n LYS 6 N 2.51 3.29 0.00 2.72 4.81 0.14 -2.95 118.16 128.68 1v81 n LYS 6 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1v81 n LYS 6 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1v81 n LYS 6 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1v81 n THR 7 N 0.00 0.00 0.28 3.15 5.66 -1.26 -3.97 114.28 118.13 1v81 n THR 7 Ca 0.00 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 1v81 n THR 7 Cb 0.00 0.00 0.82 0.00 -1.55 0.00 0.00 70.33 69.60 1v81 n THR 7 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1v81 h LEU 8 N 0.00 0.00 -1.66 1.09 5.85 -1.82 1.46 115.31 120.23 1v81 h LEU 8 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1v81 h LEU 8 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1v81 h LEU 8 CO 0.00 0.00 0.00 1.07 -0.34 0.00 0.00 178.44 179.17 1v81 n THR 9 N -2.69 0.21 -3.45 1.05 5.66 -1.26 -4.99 114.28 108.81 1v81 n THR 9 Ca -0.02 -0.49 -0.28 0.00 -3.05 0.00 0.00 64.05 60.21 1v81 n THR 9 Cb 0.21 0.85 0.02 0.00 -1.55 0.00 0.00 70.33 69.87 1v81 n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1v81 n GLY 10 N 1.31 -0.56 0.97 1.09 0.00 0.50 -5.00 105.19 103.50 1v81 n GLY 10 Ca 0.17 0.98 -0.07 0.00 0.00 0.00 0.00 46.02 47.10 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 -0.98 0.83 -3.72 1.61 5.02 -1.26 -4.92 118.16 114.75 1v81 n LYS 11 Ca -0.11 -1.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.04 1v81 n LYS 11 Cb 0.64 0.55 -0.14 0.00 -0.02 0.00 0.00 35.03 36.05 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 -1.99 -0.13 -0.09 -0.18 2.01 -1.23 -3.84 115.64 110.18 1v81 s THR 12 Ca 0.06 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1v81 s THR 12 Cb 0.00 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1v81 s THR 12 CO 0.04 0.09 -0.12 0.27 -0.69 0.00 0.00 174.62 174.21 1v81 s ILE 13 N 1.59 1.26 -0.14 1.82 -5.25 -1.15 -4.89 121.20 114.43 1v81 s ILE 13 Ca -0.05 -0.50 -0.28 0.00 -0.99 0.00 0.00 60.65 58.82 1v81 s ILE 13 Cb -0.11 -1.17 -0.01 0.00 2.95 0.00 0.00 42.46 44.11 1v81 s ILE 13 CO -0.07 0.39 0.96 -0.89 -1.79 0.00 0.00 174.94 173.55 1v81 s THR 14 N 1.04 4.80 0.32 8.37 2.01 -1.26 -2.85 115.64 128.07 1v81 s THR 14 Ca -0.07 1.93 0.08 0.00 0.31 0.00 0.00 61.69 63.94 1v81 s THR 14 Cb -0.15 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.04 1v81 s THR 14 CO -0.01 -0.01 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.07 1v81 s LEU 15 N 2.20 2.62 -0.69 4.42 2.01 -1.10 -4.98 118.68 123.16 1v81 s LEU 15 Ca 0.45 -1.20 0.05 0.00 0.01 0.00 0.00 54.13 53.44 1v81 s LEU 15 Cb -0.17 -0.85 0.25 0.00 0.01 0.00 0.00 46.19 45.43 1v81 s LEU 15 CO 0.15 -0.26 0.83 -0.62 1.01 0.00 0.00 176.35 177.45 1v81 n GLU 16 N -0.71 2.75 -0.26 1.70 -0.58 -1.26 -3.02 120.64 119.26 1v81 n GLU 16 Ca -0.05 -4.66 0.00 0.00 -0.42 0.00 0.00 57.16 52.03 1v81 n GLU 16 Cb 0.63 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 1v81 n GLU 16 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1v81 n VAL 17 N 0.93 0.00 -4.05 2.62 0.24 -1.22 -5.04 118.33 111.81 1v81 n VAL 17 Ca 0.29 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.49 1v81 n VAL 17 Cb 0.40 -1.59 -0.11 0.00 -1.47 0.00 0.00 33.84 31.07 1v81 n VAL 17 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1v81 s GLU 18 N -1.21 0.51 0.34 7.34 2.12 -1.26 -4.76 118.70 121.77 1v81 s GLU 18 Ca 0.00 -0.88 0.26 0.00 0.36 0.00 0.00 54.97 54.71 1v81 s GLU 18 Cb 0.00 -0.03 0.89 0.00 0.26 0.00 0.00 34.13 35.25 1v81 s GLU 18 CO 0.00 -0.03 1.77 -1.00 -0.54 0.00 0.00 175.26 175.46 1v81 h PRO 19 N 4.05 0.00 -0.50 4.30 0.13 -1.95 -2.62 132.00 135.40 1v81 h PRO 19 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1v81 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1v81 h PRO 19 CO 0.49 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.71 1v81 n SER 20 N -2.58 3.38 -4.87 1.44 2.88 -1.26 -0.74 113.62 111.88 1v81 n SER 20 Ca 0.03 -1.98 -0.33 0.00 -1.33 0.00 0.00 58.87 55.27 1v81 n SER 20 Cb 0.36 -0.34 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1v81 n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1v81 s ASP 21 N -1.04 6.65 0.37 -3.46 1.11 -0.99 -4.94 116.67 114.38 1v81 s ASP 21 Ca 0.35 0.91 -0.24 0.00 0.18 0.00 0.00 52.55 53.75 1v81 s ASP 21 Cb 0.19 -2.22 -0.10 0.00 1.07 0.00 0.00 42.92 41.85 1v81 s ASP 21 CO 0.25 -0.01 0.97 0.28 1.18 0.00 0.00 175.17 177.84 1v81 s THR 22 N -1.70 4.13 0.57 -1.27 -1.32 -1.26 -2.38 115.64 112.41 1v81 s THR 22 Ca 0.44 1.62 0.34 0.00 -1.21 0.00 0.00 61.69 62.88 1v81 s THR 22 Cb -0.12 -3.83 0.50 0.00 -1.51 0.00 0.00 72.50 67.54 1v81 s THR 22 CO 0.21 -0.00 1.67 0.40 -2.21 0.00 0.00 174.62 174.69 1v81 h ILE 23 N 2.33 0.23 0.44 5.08 1.08 -1.50 0.10 117.51 125.28 1v81 h ILE 23 Ca -0.48 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.97 1v81 h ILE 23 Cb 1.19 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1v81 h ILE 23 CO 0.63 0.00 -0.21 -0.08 -0.69 0.00 0.00 178.15 177.80 1v81 h GLU 24 N 0.00 -0.58 -0.94 2.37 4.81 -1.83 0.57 114.58 118.98 1v81 h GLU 24 Ca 0.52 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 60.01 1v81 h GLU 24 Cb 2.39 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 31.83 1v81 h GLU 24 CO -0.01 -0.38 0.62 -0.97 -0.73 0.00 0.00 179.01 177.54 1v81 h ASN 25 N -0.80 0.40 -0.08 1.04 -0.00 -1.25 2.32 115.58 117.20 1v81 h ASN 25 Ca -0.06 0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.25 1v81 h ASN 25 Cb 0.46 -0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1v81 h ASN 25 CO 0.10 0.14 -0.10 0.58 -0.00 0.00 0.00 177.43 178.15 1v81 h VAL 26 N 0.39 1.38 0.00 2.57 2.07 -0.97 0.26 116.25 121.94 1v81 h VAL 26 Ca 0.50 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1v81 h VAL 26 Cb 1.29 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1v81 h VAL 26 CO -0.19 0.36 0.00 2.29 0.02 0.00 0.00 177.57 180.05 1v81 n LYS 27 N -4.66 0.48 -0.07 1.57 2.85 0.20 -3.07 118.16 115.46 1v81 n LYS 27 Ca -0.07 0.02 -0.21 0.00 -1.05 0.00 0.00 58.31 57.00 1v81 n LYS 27 Cb 0.33 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.08 1v81 n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1v81 n ALA 28 N -1.23 1.09 -0.10 0.58 0.00 0.75 -3.78 120.51 117.81 1v81 n ALA 28 Ca 0.14 -0.80 0.26 0.00 0.00 0.00 0.00 53.44 53.05 1v81 n ALA 28 Cb 0.20 -0.39 0.63 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.20 0.00 0.20 0.00 1.57 -0.41 1.43 116.57 119.17 1v81 h LYS 29 Ca -0.50 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 1v81 h LYS 29 Cb 1.86 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.19 1v81 h LYS 29 CO -0.06 0.00 -1.43 -0.84 -0.57 0.00 0.00 179.45 176.55 1v81 h ILE 30 N 0.00 1.20 -0.11 1.86 3.07 -1.71 -2.18 117.51 119.64 1v81 h ILE 30 Ca 0.38 -2.58 0.03 0.00 1.55 0.00 0.00 64.86 64.24 1v81 h ILE 30 Cb 2.05 2.96 -0.00 0.00 -0.27 0.00 0.00 36.82 41.55 1v81 h ILE 30 CO -0.00 0.79 0.13 1.56 -1.05 0.00 0.00 178.15 179.58 1v81 h GLN 31 N -0.01 0.00 0.00 0.16 1.08 0.18 0.93 115.11 117.45 1v81 h GLN 31 Ca -0.27 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.66 1v81 h GLN 31 Cb 2.01 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.39 1v81 h GLN 31 CO 0.20 0.00 -1.75 -3.47 -0.95 0.00 0.00 178.83 172.87 1v81 n ASP 32 N -3.84 0.75 0.25 1.46 2.03 -0.39 -0.56 116.55 116.26 1v81 n ASP 32 Ca -0.00 0.35 0.07 0.00 0.52 0.00 0.00 54.79 55.74 1v81 n ASP 32 Cb 0.23 0.13 0.61 0.00 -0.72 0.00 0.00 41.12 41.37 1v81 n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1v81 h LYS 33 N 0.00 0.00 0.00 -0.67 1.79 -0.16 -3.38 116.57 114.15 1v81 h LYS 33 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1v81 h LYS 33 Cb 1.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.61 1v81 h LYS 33 CO 0.07 0.05 -0.00 -0.85 -1.08 0.00 0.00 179.45 177.64 1v81 n GLU 34 N -4.46 0.00 0.00 3.15 0.00 -0.75 -5.08 120.64 113.50 1v81 n GLU 34 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1v81 n GLU 34 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 31.44 31.55 1v81 n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1v81 n GLY 35 N 3.49 0.11 3.29 -1.84 0.00 0.27 -5.08 105.19 105.44 1v81 n GLY 35 Ca -0.00 0.00 -0.29 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 -0.21 1.92 0.29 -0.61 2.07 -1.00 -5.03 121.20 118.64 1v81 s ILE 36 Ca 0.00 -1.20 -0.29 0.00 -1.41 0.00 0.00 60.65 57.75 1v81 s ILE 36 Cb 0.00 -1.63 -0.09 0.00 0.13 0.00 0.00 42.46 40.87 1v81 s ILE 36 CO 0.00 0.38 1.08 -2.16 -1.91 0.00 0.00 174.94 172.33 1v81 s PRO 37 N -0.98 4.59 0.49 3.50 0.04 -1.26 -4.28 135.00 137.10 1v81 s PRO 37 Ca 0.10 1.73 0.28 0.00 0.04 0.00 0.00 61.00 63.16 1v81 s PRO 37 Cb -0.09 -3.10 0.87 0.00 0.04 0.00 0.00 34.50 32.22 1v81 s PRO 37 CO 0.01 0.18 1.80 -1.00 0.04 0.00 0.00 177.00 178.04 1v81 h PRO 38 N 3.64 0.00 -1.00 0.56 0.13 -1.87 -3.17 132.00 130.30 1v81 h PRO 38 Ca -0.47 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.95 1v81 h PRO 38 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1v81 h PRO 38 CO 0.66 0.00 1.00 -0.44 -0.23 0.00 0.00 178.00 179.00 1v81 h ASP 39 N 0.00 0.00 0.00 1.44 5.19 -1.98 -2.17 116.42 118.91 1v81 h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1v81 h ASP 39 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1v81 h ASP 39 CO 0.00 0.00 -0.48 0.00 -3.12 0.00 0.00 179.24 175.64 1v81 n GLN 40 N -3.54 0.28 -2.04 3.56 3.00 -1.20 -4.96 117.38 112.47 1v81 n GLN 40 Ca 0.22 0.17 -0.40 0.00 -0.01 0.00 0.00 57.00 56.98 1v81 n GLN 40 Cb 1.32 -1.06 -0.01 0.00 0.00 0.00 0.00 30.24 30.49 1v81 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1v81 s GLN 41 N -1.95 4.15 -0.02 -1.09 -1.52 -0.81 -5.03 119.66 113.39 1v81 s GLN 41 Ca -0.14 2.24 0.02 0.00 -1.95 0.00 0.00 55.36 55.54 1v81 s GLN 41 Cb 0.02 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.89 1v81 s GLN 41 CO 0.21 -0.37 -0.08 -0.98 -0.25 0.00 0.00 175.29 173.81 1v81 s ARG 42 N -2.03 0.83 0.18 2.91 1.70 -1.26 -4.66 118.95 116.62 1v81 s ARG 42 Ca 0.53 -0.28 -0.08 0.00 -0.47 0.00 0.00 55.73 55.43 1v81 s ARG 42 Cb -0.40 -0.79 -0.06 0.00 -0.57 0.00 0.00 34.95 33.12 1v81 s ARG 42 CO 0.53 0.12 0.47 -0.51 -1.08 0.00 0.00 175.30 174.83 1v81 s LEU 43 N 0.10 4.22 0.03 -1.89 2.01 -1.26 -4.16 118.68 117.73 1v81 s LEU 43 Ca -0.01 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.91 1v81 s LEU 43 Cb -0.07 -3.49 -0.02 0.00 0.01 0.00 0.00 46.19 42.62 1v81 s LEU 43 CO 0.00 -0.01 -0.05 -0.63 1.01 0.00 0.00 176.35 176.68 1v81 s ILE 44 N -1.72 0.28 -0.22 -0.59 -1.09 -0.75 -3.08 121.20 114.02 1v81 s ILE 44 Ca 0.44 -1.12 -0.08 0.00 -2.23 0.00 0.00 60.65 57.66 1v81 s ILE 44 Cb -0.12 -0.58 0.10 0.00 -1.58 0.00 0.00 42.46 40.28 1v81 s ILE 44 CO 0.22 -0.54 0.49 0.12 -1.23 0.00 0.00 174.94 174.00 1v81 s PHE 45 N -1.83 -0.93 -1.55 3.97 5.36 -1.06 -0.43 117.98 121.52 1v81 s PHE 45 Ca -0.10 1.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1v81 s PHE 45 Cb -0.07 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 1v81 s PHE 45 CO -0.02 -0.52 0.00 0.00 -1.46 0.00 0.00 175.22 173.23 1v81 n ALA 46 N 5.24 -0.28 -0.49 11.12 0.00 -1.26 -0.97 120.51 133.87 1v81 n ALA 46 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1v81 n ALA 46 Cb 0.50 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.09 1.98 3.83 0.00 0.00 -1.26 -5.00 105.19 103.65 1v81 n GLY 47 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.01 4.18 -0.79 1.61 -2.85 -0.15 -4.97 119.74 116.76 1v81 s LYS 48 Ca 0.00 1.05 -0.26 0.00 -1.00 0.00 0.00 55.97 55.76 1v81 s LYS 48 Cb 0.00 -2.21 0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1v81 s LYS 48 CO 0.00 -0.03 1.35 -1.14 0.10 0.00 0.00 175.35 175.64 1v81 s GLN 49 N -3.23 3.22 -0.27 1.78 0.74 -1.26 -2.57 119.66 118.07 1v81 s GLN 49 Ca 0.61 -0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.38 1v81 s GLN 49 Cb -0.09 -4.42 -0.03 0.00 1.10 0.00 0.00 33.01 29.57 1v81 s GLN 49 CO 0.15 -2.21 1.84 -0.51 -0.55 0.00 0.00 175.29 174.01 1v81 s LEU 50 N 5.85 3.60 0.13 3.68 1.43 -1.18 -4.96 118.68 127.23 1v81 s LEU 50 Ca 0.39 1.52 0.08 0.00 -1.03 0.00 0.00 54.13 55.10 1v81 s LEU 50 Cb -0.07 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1v81 s LEU 50 CO 0.10 -1.64 -0.20 -0.70 0.23 0.00 0.00 176.35 174.15 1v81 s GLU 51 N 5.54 1.20 0.63 1.70 2.56 -1.26 -4.55 118.70 124.52 1v81 s GLU 51 Ca 0.82 -1.28 0.39 0.00 0.00 0.00 0.00 54.97 54.90 1v81 s GLU 51 Cb -0.26 -1.37 2.10 0.00 2.00 0.00 0.00 34.13 36.60 1v81 s GLU 51 CO 0.33 0.30 2.18 0.38 -0.56 0.00 0.00 175.26 177.90 1v81 h ASP 52 N 3.69 0.00 -0.80 -1.70 3.04 -1.93 -2.85 116.42 115.88 1v81 h ASP 52 Ca -0.44 0.00 0.18 0.00 -3.24 0.00 0.00 57.03 53.53 1v81 h ASP 52 Cb 1.19 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.33 1v81 h ASP 52 CO 0.45 0.00 -0.12 0.61 -2.04 0.00 0.00 179.24 178.13 1v81 n GLY 53 N -1.14 -1.25 1.44 7.15 0.00 -1.26 -4.30 105.19 105.84 1v81 n GLY 53 Ca -0.03 0.83 -0.12 0.00 0.00 0.00 0.00 46.02 46.70 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 -5.24 1.23 -0.71 1.61 5.12 -1.07 -5.03 116.66 112.58 1v81 n ARG 54 Ca 0.15 -1.47 0.00 0.00 -1.93 0.00 0.00 57.85 54.60 1v81 n ARG 54 Cb 0.47 0.54 0.00 0.00 -1.16 0.00 0.00 32.46 32.31 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 -0.46 0.00 0.10 0.55 -2.24 -1.26 -1.69 114.28 109.28 1v81 n THR 55 Ca -0.06 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 1v81 n THR 55 Cb 0.26 -0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 67.54 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 0.68 0.34 3.22 3.38 -1.56 -3.23 115.31 118.13 1v81 h LEU 56 Ca 0.00 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 1v81 h LEU 56 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1v81 h LEU 56 CO 0.00 1.70 -0.24 0.77 0.09 0.00 0.00 178.44 180.76 1v81 h SER 57 N 0.12 -0.62 -0.26 -0.43 4.64 -1.14 1.35 113.55 117.21 1v81 h SER 57 Ca -0.29 0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1v81 h SER 57 Cb 2.11 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 64.39 1v81 h SER 57 CO 0.22 -0.37 0.36 0.44 -0.87 0.00 0.00 176.83 176.60 1v81 h ASP 58 N -0.58 0.00 -0.36 4.97 5.19 -1.79 1.56 116.42 125.42 1v81 h ASP 58 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1v81 h ASP 58 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1v81 h ASP 58 CO 0.01 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.91 1v81 n TYR 59 N -3.53 0.46 -1.76 4.55 4.02 -0.13 -4.91 117.16 115.86 1v81 n TYR 59 Ca 0.04 -0.23 -0.19 0.00 -0.01 0.00 0.00 57.90 57.51 1v81 n TYR 59 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 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 1.31 -5.38 -4.56 7.72 3.02 0.53 -4.87 115.26 113.03 1v81 n ASN 60 Ca 0.19 0.36 -0.40 0.00 -0.03 0.00 0.00 54.58 54.70 1v81 n ASN 60 Cb 0.56 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 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 -2.78 3.90 0.40 2.41 1.01 0.44 -4.96 121.20 121.62 1v81 s ILE 61 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1v81 s ILE 61 Cb 0.00 -4.98 0.09 0.00 0.01 0.00 0.00 42.46 37.58 1v81 s ILE 61 CO 0.00 -1.85 0.53 0.00 0.00 0.00 0.00 174.94 173.61 1v81 n GLN 62 N 8.82 -0.58 -1.51 2.79 6.02 -1.26 -4.40 117.38 127.25 1v81 n GLN 62 Ca 0.36 -0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 56.22 1v81 n GLN 62 Cb 0.50 -0.55 0.07 0.00 1.02 0.00 0.00 30.24 31.28 1v81 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1v81 s LYS 63 N -4.16 2.56 -1.48 -1.09 -2.85 -1.26 -3.54 119.74 107.92 1v81 s LYS 63 Ca 0.30 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.17 1v81 s LYS 63 Cb -0.01 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 1v81 s LYS 63 CO 0.21 -1.35 0.00 0.39 0.10 0.00 0.00 175.35 174.70 1v81 n GLU 64 N -3.29 -1.20 -1.38 1.78 1.02 0.50 -4.87 120.64 113.20 1v81 n GLU 64 Ca 0.08 0.88 -0.22 0.00 -0.02 0.00 0.00 57.16 57.88 1v81 n GLU 64 Cb 0.54 -5.18 0.15 0.00 -0.02 0.00 0.00 31.44 26.94 1v81 n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1v81 n SER 65 N -0.85 0.02 -3.48 1.62 7.64 -1.23 -4.71 113.62 112.63 1v81 n SER 65 Ca -0.18 -1.34 -0.09 0.00 1.01 0.00 0.00 58.87 58.27 1v81 n SER 65 Cb 0.60 -0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1v81 n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1v81 s THR 66 N -3.12 -0.60 0.16 0.44 2.01 -1.23 -0.28 115.64 113.02 1v81 s THR 66 Ca 0.55 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.61 1v81 s THR 66 Cb -0.02 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1v81 s THR 66 CO 0.39 -0.04 0.30 -0.76 -0.69 0.00 0.00 174.62 173.82 1v81 s LEU 67 N 2.55 4.32 -0.29 4.42 2.01 -0.87 -4.79 118.68 126.03 1v81 s LEU 67 Ca 0.07 0.21 -0.10 0.00 0.01 0.00 0.00 54.13 54.32 1v81 s LEU 67 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 46.19 43.08 1v81 s LEU 67 CO -0.14 0.03 0.15 -1.00 1.01 0.00 0.00 176.35 176.40 1v81 s HIS 68 N -1.77 3.17 0.00 0.29 3.76 0.43 0.27 115.29 121.43 1v81 s HIS 68 Ca 0.35 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 1v81 s HIS 68 Cb -0.11 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.24 1v81 s HIS 68 CO 0.29 -0.34 0.00 1.28 -0.85 0.00 0.00 174.74 175.12 1v81 n LEU 69 N 5.00 0.00 -4.05 0.89 4.77 -1.25 -1.81 117.00 120.55 1v81 n LEU 69 Ca -0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1v81 n LEU 69 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1v81 n LEU 69 CO 0.33 -0.14 -0.06 0.68 -1.33 0.00 0.00 177.39 176.87 1v81 s VAL 70 N 0.32 0.04 -0.49 4.08 -7.23 -1.26 -4.64 120.40 111.23 1v81 s VAL 70 Ca 0.00 -1.59 -0.46 0.00 -1.81 0.00 0.00 61.98 58.12 1v81 s VAL 70 Cb 0.00 -2.09 -0.20 0.00 0.56 0.00 0.00 36.38 34.65 1v81 s VAL 70 CO 0.00 -0.19 1.69 0.00 -0.31 0.00 0.00 175.10 176.29 1v81 n LEU 71 N -0.25 1.21 -4.50 1.32 -0.00 -1.26 -4.32 117.00 109.21 1v81 n LEU 71 Ca -0.04 1.11 -0.29 0.00 -0.00 0.00 0.00 56.01 56.79 1v81 n LEU 71 Cb 0.63 -0.90 0.24 0.00 -0.00 0.00 0.00 43.42 43.39 1v81 n LEU 71 CO 0.27 -0.81 0.48 -2.11 -0.00 0.00 0.00 177.39 175.22 1v81 n ARG 72 N 4.61 -2.07 0.00 1.47 1.85 -1.26 -4.93 116.66 116.33 1v81 n ARG 72 Ca 0.34 -0.57 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 1v81 n ARG 72 Cb -0.04 -2.18 0.00 0.00 -1.05 0.00 0.00 32.46 29.18 1v81 n ARG 72 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1v81 n LEU 73 N -4.67 0.00 -4.75 2.89 7.94 -1.26 -4.99 117.00 112.16 1v81 n LEU 73 Ca 0.05 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.55 1v81 n LEU 73 Cb 0.54 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.44 1v81 n LEU 73 CO 0.55 -0.03 0.46 -0.13 -1.11 0.00 0.00 177.39 177.13 1v81 s ARG 74 N 0.00 4.49 0.00 1.96 3.00 -1.26 -4.94 118.95 122.20 1v81 s ARG 74 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 55.73 56.78 1v81 s ARG 74 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 34.95 31.61 1v81 s ARG 74 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 175.30 176.05 1v81 n GLY 75 N 2.26 1.51 0.69 -3.53 0.00 -1.26 -5.22 105.19 99.64 1v81 n GLY 75 Ca -0.03 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1v81 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93