#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 h LYS 2 N 0.00 0.00 -7.07 2.12 2.10 -1.88 -2.63 116.57 109.21 1h95 h LYS 2 Ca 0.00 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.20 1h95 h LYS 2 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1h95 h LYS 2 CO 0.00 0.84 0.36 0.15 -2.00 0.00 0.00 179.45 178.79 1h95 s LYS 3 N -2.96 4.07 0.32 0.07 1.02 -1.26 -4.87 119.74 116.13 1h95 s LYS 3 Ca 0.01 1.20 0.07 0.00 0.02 0.00 0.00 55.97 57.27 1h95 s LYS 3 Cb 0.10 -2.15 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1h95 s LYS 3 CO 0.79 -0.18 -0.06 0.14 -0.92 0.00 0.00 175.35 175.13 1h95 s VAL 4 N -2.12 1.86 -0.06 3.17 -7.23 -1.26 -4.60 120.40 110.16 1h95 s VAL 4 Ca 0.64 -2.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1h95 s VAL 4 Cb -0.12 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1h95 s VAL 4 CO 0.16 -0.21 -0.06 0.40 -0.31 0.00 0.00 175.10 175.08 1h95 h ILE 5 N 2.12 0.00 -2.67 -0.62 5.03 -1.93 -3.49 117.51 115.96 1h95 h ILE 5 Ca -0.41 -0.47 0.05 0.00 -0.12 0.00 0.00 64.86 63.92 1h95 h ILE 5 Cb 1.24 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.91 1h95 h ILE 5 CO 0.70 0.00 0.34 0.00 -0.68 0.00 0.00 178.15 178.51 1h95 s ALA 6 N -2.85 -1.66 -0.02 1.87 0.00 -1.15 -5.03 121.76 112.92 1h95 s ALA 6 Ca -0.05 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.55 1h95 s ALA 6 Cb 0.01 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1h95 s ALA 6 CO 0.08 -0.78 -0.06 0.95 0.00 0.00 0.00 175.76 175.94 1h95 s THR 7 N -3.48 3.68 -0.61 0.00 -4.23 -1.26 0.13 115.64 109.87 1h95 s THR 7 Ca 0.04 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1h95 s THR 7 Cb -0.01 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1h95 s THR 7 CO -0.09 0.45 0.64 0.29 -0.54 0.00 0.00 174.62 175.36 1h95 n LYS 8 N 1.72 -1.58 -4.35 3.99 5.02 -1.19 -4.95 118.16 116.83 1h95 n LYS 8 Ca -0.16 1.64 -0.19 0.00 -2.02 0.00 0.00 58.31 57.58 1h95 n LYS 8 Cb 0.53 -5.54 -0.10 0.00 -0.02 0.00 0.00 35.03 29.89 1h95 n LYS 8 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h95 s VAL 9 N -2.85 1.77 0.34 -0.18 1.01 0.17 -4.93 120.40 115.73 1h95 s VAL 9 Ca 0.07 -2.17 0.04 0.00 0.00 0.00 0.00 61.98 59.92 1h95 s VAL 9 Cb -0.02 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1h95 s VAL 9 CO 0.72 -0.55 0.06 -0.76 0.00 0.00 0.00 175.10 174.58 1h95 s LEU 10 N -3.22 2.20 0.00 3.92 1.02 -1.26 -0.56 118.68 120.78 1h95 s LEU 10 Ca 0.22 -1.40 -0.01 0.00 0.02 0.00 0.00 54.13 52.96 1h95 s LEU 10 Cb -0.02 -0.39 0.00 0.00 0.02 0.00 0.00 46.19 45.80 1h95 s LEU 10 CO 0.07 -0.62 0.03 0.61 0.02 0.00 0.00 176.35 176.46 1h95 n GLY 11 N -0.72 1.19 3.27 -3.19 0.00 -1.25 -4.32 105.19 100.18 1h95 n GLY 11 Ca -0.03 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1h95 n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h95 s THR 12 N -2.50 2.56 0.16 2.61 2.01 0.17 -3.90 115.64 116.75 1h95 s THR 12 Ca 0.01 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1h95 s THR 12 Cb -0.00 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 1h95 s THR 12 CO 0.00 0.53 0.50 -0.69 -0.69 0.00 0.00 174.62 174.27 1h95 s VAL 13 N 0.56 4.97 0.00 3.82 1.01 -0.46 -1.68 120.40 128.61 1h95 s VAL 13 Ca -0.11 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1h95 s VAL 13 Cb -0.16 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1h95 s VAL 13 CO 0.04 0.12 0.00 1.17 0.00 0.00 0.00 175.10 176.43 1h95 n LYS 14 N 0.41 0.00 -3.69 2.72 4.81 -1.26 -1.98 118.16 119.17 1h95 n LYS 14 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.27 1h95 n LYS 14 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 1h95 n LYS 14 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1h95 s TRP 15 N 0.00 -0.59 0.21 5.64 -0.11 -1.26 -3.72 118.94 119.10 1h95 s TRP 15 Ca 0.00 1.44 0.01 0.00 1.22 0.00 0.00 56.10 58.76 1h95 s TRP 15 Cb 0.00 0.21 -0.04 0.00 -1.50 0.00 0.00 33.47 32.14 1h95 s TRP 15 CO 0.00 -0.29 0.38 -0.06 -4.62 0.00 0.00 176.95 172.35 1h95 s PHE 16 N 0.24 3.48 -0.78 5.86 0.08 -1.26 -4.92 117.98 120.68 1h95 s PHE 16 Ca -0.00 0.24 -0.17 0.00 0.12 0.00 0.00 56.93 57.12 1h95 s PHE 16 Cb -0.04 -1.77 0.15 0.00 -0.57 0.00 0.00 43.02 40.79 1h95 s PHE 16 CO 0.01 0.40 0.85 1.21 -0.10 0.00 0.00 175.22 177.59 1h95 s ASN 17 N -3.37 6.53 0.24 1.36 2.47 -0.42 -4.92 114.94 116.84 1h95 s ASN 17 Ca 0.37 -2.09 0.09 0.00 0.42 0.00 0.00 52.86 51.65 1h95 s ASN 17 Cb -0.11 -2.30 0.26 0.00 -1.45 0.00 0.00 41.25 37.65 1h95 s ASN 17 CO 0.30 -0.90 1.55 -0.37 -3.72 0.00 0.00 177.10 173.96 1h95 h VAL 18 N 5.48 1.47 0.33 -5.21 -1.51 -1.95 0.35 116.25 115.21 1h95 h VAL 18 Ca -0.01 -2.26 -0.01 0.00 -1.23 0.00 0.00 66.70 63.18 1h95 h VAL 18 Cb 1.05 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 32.42 1h95 h VAL 18 CO 0.98 0.65 -0.25 -0.09 -1.23 0.00 0.00 177.57 177.63 1h95 h ARG 19 N 0.04 -0.54 -0.13 5.19 2.43 -1.96 -3.13 114.38 116.28 1h95 h ARG 19 Ca -0.01 0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 1h95 h ARG 19 Cb 1.19 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1h95 h ARG 19 CO 0.09 -0.36 -0.61 -0.91 -1.51 0.00 0.00 179.97 176.67 1h95 h ASN 20 N -0.56 0.51 -0.34 -3.80 4.21 -2.01 -3.48 115.58 110.11 1h95 h ASN 20 Ca -0.04 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.18 1h95 h ASN 20 Cb 0.46 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1h95 h ASN 20 CO 0.01 1.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.76 1h95 n GLY 21 N 0.34 0.56 3.10 2.83 0.00 -0.04 -5.06 105.19 106.92 1h95 n GLY 21 Ca -0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1h95 n GLY 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1h95 s TYR 22 N -1.45 1.18 -0.10 1.61 6.14 -0.30 -4.40 117.35 120.03 1h95 s TYR 22 Ca 0.00 -0.23 -0.32 0.00 0.64 0.00 0.00 57.07 57.16 1h95 s TYR 22 Cb 0.00 -0.75 0.12 0.00 0.42 0.00 0.00 41.96 41.75 1h95 s TYR 22 CO 0.00 -0.02 1.09 0.20 0.64 0.00 0.00 175.55 177.47 1h95 s GLY 23 N -0.37 -0.36 0.05 8.97 0.00 -1.22 -1.30 107.32 113.10 1h95 s GLY 23 Ca 0.05 1.27 -0.03 0.00 0.00 0.00 0.00 44.72 46.00 1h95 s GLY 23 CO -0.00 0.41 0.04 -0.11 0.00 0.00 0.00 173.10 173.44 1h95 s PHE 24 N -2.70 0.36 0.05 1.90 -0.12 -1.26 -0.98 117.98 115.22 1h95 s PHE 24 Ca 0.08 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 56.20 1h95 s PHE 24 Cb -0.01 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1h95 s PHE 24 CO -0.06 -0.39 -0.02 0.42 -0.05 0.00 0.00 175.22 175.12 1h95 s ILE 25 N -3.37 3.94 -0.79 -4.49 -1.09 0.10 -4.75 121.20 110.75 1h95 s ILE 25 Ca 0.02 -0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 57.40 1h95 s ILE 25 Cb 0.04 -2.81 0.13 0.00 -1.58 0.00 0.00 42.46 38.24 1h95 s ILE 25 CO -0.08 0.25 0.92 0.21 -1.23 0.00 0.00 174.94 175.00 1h95 s ASN 26 N -1.91 6.48 0.10 3.58 3.84 -0.68 -1.57 114.94 124.79 1h95 s ASN 26 Ca 0.22 -1.89 -0.30 0.00 0.21 0.00 0.00 52.86 51.10 1h95 s ASN 26 Cb -0.11 -2.34 -0.06 0.00 -0.55 0.00 0.00 41.25 38.19 1h95 s ASN 26 CO 0.14 -1.02 1.03 -0.60 -2.79 0.00 0.00 177.10 173.85 1h95 s ARG 27 N 2.33 4.62 -0.10 0.43 3.00 -0.93 -0.66 118.95 127.63 1h95 s ARG 27 Ca 0.23 1.55 -0.04 0.00 -1.00 0.00 0.00 55.73 56.46 1h95 s ARG 27 Cb -0.13 -3.36 -0.14 0.00 0.00 0.00 0.00 34.95 31.32 1h95 s ARG 27 CO -0.03 0.08 3.14 0.27 0.00 0.00 0.00 175.30 178.76 1h95 n ASN 28 N 3.01 5.56 -0.01 -2.12 0.23 -1.26 -2.13 115.26 118.54 1h95 n ASN 28 Ca 0.04 -2.64 -0.00 0.00 -0.53 0.00 0.00 54.58 51.45 1h95 n ASN 28 Cb 0.48 -1.32 -0.00 0.00 -2.08 0.00 0.00 39.78 36.86 1h95 n ASN 28 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1h95 h ASP 29 N 2.63 0.00 -0.11 0.53 5.19 -1.93 -3.45 116.42 119.27 1h95 h ASP 29 Ca 0.21 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.44 1h95 h ASP 29 Cb 1.26 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.51 1h95 h ASP 29 CO 0.35 0.09 -0.67 1.07 -3.12 0.00 0.00 179.24 176.96 1h95 n THR 30 N -2.47 0.33 -3.01 0.35 5.66 -1.26 -4.96 114.28 108.92 1h95 n THR 30 Ca -0.00 -1.25 -0.08 0.00 -3.05 0.00 0.00 64.05 59.67 1h95 n THR 30 Cb 0.01 0.96 0.01 0.00 -1.55 0.00 0.00 70.33 69.75 1h95 n THR 30 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1h95 n LYS 31 N -0.47 -1.94 -3.91 1.09 4.01 -1.23 -5.03 118.16 110.68 1h95 n LYS 31 Ca -0.09 1.80 -0.35 0.00 -0.51 0.00 0.00 58.31 59.16 1h95 n LYS 31 Cb 0.88 -5.33 -0.10 0.00 -0.51 0.00 0.00 35.03 29.96 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1h95 s GLU 32 N -2.84 3.98 -0.19 1.97 2.02 -0.91 -4.94 118.70 117.79 1h95 s GLU 32 Ca 0.16 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 54.54 1h95 s GLU 32 Cb -0.04 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 1h95 s GLU 32 CO 0.78 0.20 0.94 0.16 0.02 0.00 0.00 175.26 177.36 1h95 s ASP 33 N 0.58 7.04 -0.34 -0.19 -4.77 -1.26 -2.19 116.67 115.55 1h95 s ASP 33 Ca 0.04 1.29 -0.04 0.00 -3.30 0.00 0.00 52.55 50.54 1h95 s ASP 33 Cb -0.13 -2.50 0.06 0.00 -1.09 0.00 0.00 42.92 39.26 1h95 s ASP 33 CO 0.01 -0.52 0.08 -0.69 0.70 0.00 0.00 175.17 174.75 1h95 s VAL 34 N 2.60 3.40 0.27 2.11 1.01 -0.61 -3.65 120.40 125.53 1h95 s VAL 34 Ca 0.42 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1h95 s VAL 34 Cb -0.16 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 1h95 s VAL 34 CO 0.10 -0.23 1.05 0.12 0.00 0.00 0.00 175.10 176.14 1h95 s PHE 35 N 1.31 3.70 -0.09 5.22 5.36 -0.05 -0.72 117.98 132.71 1h95 s PHE 35 Ca -0.02 1.77 0.01 0.00 -0.96 0.00 0.00 56.93 57.73 1h95 s PHE 35 Cb -0.20 -3.19 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 1h95 s PHE 35 CO 0.00 -0.24 -0.11 0.08 -1.46 0.00 0.00 175.22 173.49 1h95 s VAL 36 N -1.17 1.16 0.35 3.12 1.01 -0.15 -1.31 120.40 123.40 1h95 s VAL 36 Ca 0.43 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1h95 s VAL 36 Cb -0.30 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1h95 s VAL 36 CO 0.38 0.37 0.14 -1.38 0.00 0.00 0.00 175.10 174.62 1h95 s HIS 37 N 1.04 2.69 0.33 5.22 -3.43 -1.26 -3.36 115.29 116.51 1h95 s HIS 37 Ca -0.07 -0.40 0.01 0.00 -0.80 0.00 0.00 55.06 53.80 1h95 s HIS 37 Cb -0.15 -1.67 0.58 0.00 -1.43 0.00 0.00 32.58 29.92 1h95 s HIS 37 CO -0.01 0.32 1.99 1.96 -2.00 0.00 0.00 174.74 177.00 1h95 h GLN 38 N 1.54 0.91 0.00 -0.38 1.08 -1.98 -1.72 115.11 114.56 1h95 h GLN 38 Ca -0.43 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1h95 h GLN 38 Cb 1.25 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1h95 h GLN 38 CO 0.64 0.60 0.00 2.41 -0.95 0.00 0.00 178.83 181.53 1h95 n THR 39 N -4.44 0.83 0.17 -0.54 -1.04 -1.26 -2.68 114.28 105.32 1h95 n THR 39 Ca 0.08 0.23 0.05 0.00 -2.04 0.00 0.00 64.05 62.37 1h95 n THR 39 Cb 0.06 -1.17 0.23 0.00 -1.82 0.00 0.00 70.33 67.64 1h95 n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h95 h ALA 40 N 2.26 0.86 -2.29 2.41 0.00 -1.63 -3.45 119.26 117.44 1h95 h ALA 40 Ca 0.00 -0.37 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 1h95 h ALA 40 Cb 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1h95 h ALA 40 CO 0.00 0.51 0.56 0.42 0.00 0.00 0.00 179.25 180.74 1h95 s ILE 41 N -3.35 4.73 0.00 0.00 1.01 -1.09 -2.37 121.20 120.12 1h95 s ILE 41 Ca 0.02 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.66 1h95 s ILE 41 Cb 0.09 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1h95 s ILE 41 CO 0.70 0.02 0.25 0.29 0.00 0.00 0.00 174.94 176.20 1h95 n LYS 42 N 4.88 0.00 -3.29 2.79 5.02 0.18 -4.80 118.16 122.94 1h95 n LYS 42 Ca 0.09 0.25 -0.38 0.00 -2.02 0.00 0.00 58.31 56.25 1h95 n LYS 42 Cb 0.49 -0.92 -0.06 0.00 -0.02 0.00 0.00 35.03 34.52 1h95 n LYS 42 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1h95 s LYS 43 N -1.00 4.31 0.03 1.97 -2.85 -1.26 -5.05 119.74 115.88 1h95 s LYS 43 Ca 0.00 0.46 -0.19 0.00 -1.00 0.00 0.00 55.97 55.24 1h95 s LYS 43 Cb 0.00 -3.47 -0.06 0.00 -2.06 0.00 0.00 37.83 32.24 1h95 s LYS 43 CO 0.00 0.07 0.54 1.21 0.10 0.00 0.00 175.35 177.27 1h95 s ASN 44 N 0.77 6.97 0.23 0.03 2.47 -1.26 -4.92 114.94 119.23 1h95 s ASN 44 Ca 0.26 1.15 0.08 0.00 0.42 0.00 0.00 52.86 54.77 1h95 s ASN 44 Cb -0.15 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1h95 s ASN 44 CO 0.10 0.23 0.09 0.54 -3.72 0.00 0.00 177.10 174.34 1h95 s ASN 45 N -0.78 5.09 0.85 -4.21 2.20 -1.26 -5.14 114.94 111.69 1h95 s ASN 45 Ca 0.28 -0.38 -0.01 0.00 -0.94 0.00 0.00 52.86 51.81 1h95 s ASN 45 Cb -0.18 -1.17 0.02 0.00 -2.00 0.00 0.00 41.25 37.92 1h95 s ASN 45 CO 0.17 0.01 0.11 -0.81 -2.94 0.00 0.00 177.10 173.64 1h95 n PRO 46 N -0.79 0.05 -4.30 3.55 -0.04 -1.26 -5.09 135.00 127.13 1h95 n PRO 46 Ca -0.08 -0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 62.84 1h95 n PRO 46 Cb 0.57 -0.11 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 1h95 n PRO 46 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1h95 s ARG 47 N -3.10 3.45 -0.04 0.54 6.06 -1.26 -5.12 118.95 119.48 1h95 s ARG 47 Ca 0.07 -0.43 0.05 0.00 -2.50 0.00 0.00 55.73 52.92 1h95 s ARG 47 Cb -0.00 -2.93 -0.01 0.00 0.06 0.00 0.00 34.95 32.07 1h95 s ARG 47 CO 0.05 0.44 -0.21 0.21 -2.50 0.00 0.00 175.30 173.29 1h95 s LYS 48 N -0.16 2.03 -0.99 5.12 2.20 -1.26 -5.05 119.74 121.64 1h95 s LYS 48 Ca 0.05 -0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1h95 s LYS 48 Cb -0.13 -1.79 0.28 0.00 -1.51 0.00 0.00 37.83 34.69 1h95 s LYS 48 CO 0.02 0.34 2.03 0.66 -0.36 0.00 0.00 175.35 178.04 1h95 n TYR 49 N 2.95 2.71 -4.05 4.03 4.02 -1.26 -4.97 117.16 120.59 1h95 n TYR 49 Ca -0.17 -2.49 -0.31 0.00 -0.01 0.00 0.00 57.90 54.92 1h95 n TYR 49 Cb 0.53 -1.30 -0.06 0.00 -0.02 0.00 0.00 39.34 38.48 1h95 n TYR 49 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1h95 s LEU 50 N -3.81 3.81 -1.09 7.72 2.96 -1.26 -5.05 118.68 121.97 1h95 s LEU 50 Ca 0.46 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1h95 s LEU 50 Cb 0.26 -2.47 0.27 0.00 0.50 0.00 0.00 46.19 44.76 1h95 s LEU 50 CO -0.20 0.18 1.08 -1.14 -1.32 0.00 0.00 176.35 174.95 1h95 n ARG 51 N 0.52 3.44 0.00 1.98 0.63 -1.26 -4.85 116.66 117.12 1h95 n ARG 51 Ca -0.09 -4.47 0.00 0.00 -0.92 0.00 0.00 57.85 52.38 1h95 n ARG 51 Cb 0.52 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.90 1h95 n ARG 51 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1h95 n SER 52 N 2.59 0.00 0.00 6.15 3.41 -1.26 -5.11 113.62 119.40 1h95 n SER 52 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1h95 n SER 52 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1h95 n SER 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1h95 n VAL 53 N -0.59 0.00 0.00 -3.33 0.24 -1.26 -5.09 118.33 108.30 1h95 n VAL 53 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1h95 n VAL 53 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1h95 n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h95 n GLY 54 N 4.80 0.87 3.61 7.63 0.00 -1.26 -4.92 105.19 115.92 1h95 n GLY 54 Ca 0.00 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1h95 n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h95 s ASP 55 N -4.00 6.19 0.00 1.61 2.15 -1.24 -3.15 116.67 118.23 1h95 s ASP 55 Ca 0.00 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1h95 s ASP 55 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1h95 s ASP 55 CO 0.00 -1.48 0.00 0.61 -0.17 0.00 0.00 175.17 174.13 1h95 n GLY 56 N 5.08 1.59 3.81 2.66 0.00 -0.84 -5.02 105.19 112.47 1h95 n GLY 56 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1h95 n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h95 s GLU 57 N 0.00 3.33 -0.02 1.61 -1.05 -1.19 -4.74 118.70 116.64 1h95 s GLU 57 Ca 0.00 1.16 0.02 0.00 -0.15 0.00 0.00 54.97 56.00 1h95 s GLU 57 Cb 0.00 -2.04 -0.03 0.00 -0.44 0.00 0.00 34.13 31.62 1h95 s GLU 57 CO 0.00 -0.80 -0.04 0.95 0.95 0.00 0.00 175.26 176.32 1h95 s THR 58 N -2.52 3.84 -0.03 1.83 -4.23 -1.26 -1.36 115.64 111.91 1h95 s THR 58 Ca 0.63 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 60.40 1h95 s THR 58 Cb -0.15 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1h95 s THR 58 CO 0.38 0.44 0.23 0.54 -0.54 0.00 0.00 174.62 175.67 1h95 s VAL 59 N -0.98 0.05 0.09 2.29 0.11 -1.25 -5.02 120.40 115.68 1h95 s VAL 59 Ca 0.17 -0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 1h95 s VAL 59 Cb -0.11 -0.47 -0.06 0.00 -1.53 0.00 0.00 36.38 34.21 1h95 s VAL 59 CO 0.07 -0.22 0.45 -1.61 -3.33 0.00 0.00 175.10 170.45 1h95 s GLU 60 N -0.89 3.85 0.28 1.54 2.02 -1.26 -3.89 118.70 120.35 1h95 s GLU 60 Ca -0.10 0.30 -0.19 0.00 0.02 0.00 0.00 54.97 55.00 1h95 s GLU 60 Cb -0.05 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.19 1h95 s GLU 60 CO 0.02 0.55 0.68 -0.59 0.02 0.00 0.00 175.26 175.94 1h95 s PHE 61 N -1.38 -0.06 0.00 1.61 -0.12 0.28 -4.31 117.98 114.01 1h95 s PHE 61 Ca 0.33 -0.40 -0.12 0.00 -0.05 0.00 0.00 56.93 56.69 1h95 s PHE 61 Cb -0.15 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1h95 s PHE 61 CO 0.18 -1.22 0.36 -0.51 -0.05 0.00 0.00 175.22 173.97 1h95 s ASP 62 N -2.95 6.69 -0.48 1.98 1.01 -0.75 0.43 116.67 122.58 1h95 s ASP 62 Ca 0.14 0.82 -0.18 0.00 0.71 0.00 0.00 52.55 54.03 1h95 s ASP 62 Cb -0.05 -2.19 0.05 0.00 1.01 0.00 0.00 42.92 41.74 1h95 s ASP 62 CO 0.08 0.29 0.56 -0.69 0.21 0.00 0.00 175.17 175.62 1h95 s VAL 63 N -1.17 4.97 -0.03 -1.27 1.01 0.12 -3.29 120.40 120.73 1h95 s VAL 63 Ca 0.25 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1h95 s VAL 63 Cb -0.15 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1h95 s VAL 63 CO 0.13 -0.69 -0.17 0.68 0.00 0.00 0.00 175.10 175.05 1h95 s VAL 64 N 2.39 1.36 0.36 2.92 -7.23 -0.36 -2.94 120.40 116.89 1h95 s VAL 64 Ca 0.13 -0.70 0.09 0.00 -1.81 0.00 0.00 61.98 59.69 1h95 s VAL 64 Cb -0.19 -1.16 -0.07 0.00 0.56 0.00 0.00 36.38 35.51 1h95 s VAL 64 CO 0.12 0.39 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.54 1h95 s GLU 65 N -0.08 1.83 0.00 4.82 2.12 -1.26 -0.02 118.70 126.11 1h95 s GLU 65 Ca -0.01 -1.97 0.00 0.00 0.36 0.00 0.00 54.97 53.35 1h95 s GLU 65 Cb -0.10 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.67 1h95 s GLU 65 CO 0.01 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1h95 n GLY 66 N -0.82 -0.16 0.00 -1.50 0.00 -0.99 -4.82 105.19 96.90 1h95 n GLY 66 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1h95 n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1h95 n GLU 67 N -1.87 2.90 0.22 1.61 0.28 -1.26 -4.43 120.64 118.08 1h95 n GLU 67 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.15 1h95 n GLU 67 Cb 0.00 0.00 0.47 0.00 1.43 0.00 0.00 31.44 33.34 1h95 n GLU 67 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1h95 h LYS 68 N 0.00 0.00 -3.45 3.44 1.57 -2.01 -3.42 116.57 112.69 1h95 h LYS 68 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1h95 h LYS 68 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 1h95 h LYS 68 CO 0.00 0.00 -0.60 0.20 -0.57 0.00 0.00 179.45 178.48 1h95 s GLY 69 N -4.06 -0.07 0.68 3.86 0.00 -1.26 -5.10 107.32 101.36 1h95 s GLY 69 Ca 0.04 0.33 -0.10 0.00 0.00 0.00 0.00 44.72 44.99 1h95 s GLY 69 CO 0.57 0.33 1.06 0.00 0.00 0.00 0.00 173.10 175.05 1h95 s ALA 70 N 0.16 2.98 0.00 3.20 0.00 -1.24 -4.70 121.76 122.16 1h95 s ALA 70 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1h95 s ALA 70 Cb -0.02 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1h95 s ALA 70 CO -0.00 -1.05 0.00 -0.85 0.00 0.00 0.00 175.76 173.86 1h95 n GLU 71 N -2.91 2.33 -3.90 0.00 0.28 0.97 -0.87 120.64 116.54 1h95 n GLU 71 Ca 0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.97 1h95 n GLU 71 Cb 0.57 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.35 1h95 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1h95 s ALA 72 N -2.00 -0.17 0.14 -1.84 0.00 -0.43 -1.23 121.76 116.24 1h95 s ALA 72 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 1h95 s ALA 72 Cb 0.00 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1h95 s ALA 72 CO 0.00 -0.37 0.39 0.00 0.00 0.00 0.00 175.76 175.78 1h95 s ALA 73 N -2.85 -0.72 -1.25 0.00 0.00 -1.21 -4.81 121.76 110.93 1h95 s ALA 73 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1h95 s ALA 73 Cb 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 1h95 s ALA 73 CO -0.06 -0.67 0.81 0.09 0.00 0.00 0.00 175.76 175.94 1h95 n ASN 74 N -0.23 -1.93 -4.48 0.00 3.02 -1.22 -1.81 115.26 108.60 1h95 n ASN 74 Ca -0.13 -0.76 -0.43 0.00 -0.03 0.00 0.00 54.58 53.23 1h95 n ASN 74 Cb 0.63 -4.45 -0.07 0.00 -0.61 0.00 0.00 39.78 35.27 1h95 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h95 s VAL 75 N -3.54 4.98 0.00 2.41 1.01 -1.00 -4.62 120.40 119.63 1h95 s VAL 75 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1h95 s VAL 75 Cb -0.01 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1h95 s VAL 75 CO 0.78 -0.58 0.00 0.41 0.00 0.00 0.00 175.10 175.71 1h95 n THR 76 N 5.57 0.00 -1.26 3.92 -1.04 -1.26 -0.64 114.28 119.57 1h95 n THR 76 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1h95 n THR 76 Cb 0.47 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1h95 n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h95 n GLY 77 N 2.64 -2.53 3.81 3.41 0.00 -1.26 -4.19 105.19 107.07 1h95 n GLY 77 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1h95 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h95 s PRO 78 N -1.02 2.89 0.00 1.61 0.04 -1.26 -4.92 135.00 132.35 1h95 s PRO 78 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1h95 s PRO 78 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1h95 s PRO 78 CO 0.00 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.31