#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 s LYS 2 N 0.00 1.18 -0.16 2.12 2.20 -1.26 -5.08 119.74 118.73 1h95 s LYS 2 Ca 0.00 -1.17 -0.14 0.00 -0.36 0.00 0.00 55.97 54.29 1h95 s LYS 2 Cb 0.00 -1.46 -0.05 0.00 -1.51 0.00 0.00 37.83 34.81 1h95 s LYS 2 CO 0.00 0.34 -0.28 1.63 -0.36 0.00 0.00 175.35 176.69 1h95 n LYS 3 N 1.11 0.50 -2.30 4.03 5.02 -1.26 -5.01 118.16 120.25 1h95 n LYS 3 Ca -0.19 0.35 -0.34 0.00 -2.02 0.00 0.00 58.31 56.10 1h95 n LYS 3 Cb 0.53 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 1h95 n LYS 3 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1h95 s VAL 4 N -2.63 3.54 0.00 -0.18 -7.23 -1.25 -4.41 120.40 108.23 1h95 s VAL 4 Ca -0.23 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1h95 s VAL 4 Cb 0.03 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.62 1h95 s VAL 4 CO 0.34 -0.26 0.00 -0.38 -0.31 0.00 0.00 175.10 174.49 1h95 n ILE 5 N -1.37 0.00 -3.88 -0.62 -0.00 -0.42 -4.88 119.36 108.19 1h95 n ILE 5 Ca 0.10 0.36 -0.08 0.00 -0.00 0.00 0.00 62.75 63.13 1h95 n ILE 5 Cb 0.52 -1.29 -0.02 0.00 -0.00 0.00 0.00 39.64 38.85 1h95 n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h95 s ALA 6 N -3.51 -0.88 0.19 -1.39 0.00 -0.96 -5.00 121.76 110.20 1h95 s ALA 6 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.48 1h95 s ALA 6 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1h95 s ALA 6 CO 0.00 -0.99 0.10 0.95 0.00 0.00 0.00 175.76 175.83 1h95 s THR 7 N -3.61 4.22 -1.16 0.00 -4.23 -1.26 -0.02 115.64 109.58 1h95 s THR 7 Ca 0.15 -1.27 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1h95 s THR 7 Cb -0.05 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 1h95 s THR 7 CO 0.09 -0.17 0.80 0.29 -0.54 0.00 0.00 174.62 175.09 1h95 n LYS 8 N -0.46 -2.51 -4.16 3.99 5.02 -1.14 -4.92 118.16 113.97 1h95 n LYS 8 Ca -0.08 0.61 -0.33 0.00 -2.02 0.00 0.00 58.31 56.49 1h95 n LYS 8 Cb 0.56 -4.88 -0.08 0.00 -0.02 0.00 0.00 35.03 30.61 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 -3.50 4.55 0.08 -0.18 1.01 0.16 -4.89 120.40 117.62 1h95 s VAL 9 Ca 0.34 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1h95 s VAL 9 Cb -0.09 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1h95 s VAL 9 CO 0.82 0.37 0.08 -0.76 0.00 0.00 0.00 175.10 175.61 1h95 s LEU 10 N -1.64 3.81 0.00 3.92 2.01 -1.26 -0.74 118.68 124.77 1h95 s LEU 10 Ca 0.21 -0.01 -0.22 0.00 0.01 0.00 0.00 54.13 54.13 1h95 s LEU 10 Cb -0.12 -2.49 0.08 0.00 0.01 0.00 0.00 46.19 43.67 1h95 s LEU 10 CO 0.12 0.17 1.03 0.61 1.01 0.00 0.00 176.35 179.30 1h95 n GLY 11 N 0.46 0.59 3.37 -3.19 0.00 -0.63 -4.32 105.19 101.47 1h95 n GLY 11 Ca -0.09 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.06 2.81 -0.03 2.61 2.01 -0.99 -1.35 115.64 118.64 1h95 s THR 12 Ca 0.23 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1h95 s THR 12 Cb -0.03 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1h95 s THR 12 CO 0.05 0.55 -0.05 0.54 -0.69 0.00 0.00 174.62 175.03 1h95 s VAL 13 N -0.04 3.80 0.00 3.82 0.11 -0.60 -0.75 120.40 126.74 1h95 s VAL 13 Ca -0.04 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1h95 s VAL 13 Cb -0.14 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1h95 s VAL 13 CO 0.04 0.49 0.00 1.17 -3.33 0.00 0.00 175.10 173.47 1h95 n LYS 14 N 1.85 0.00 -4.55 1.54 4.81 -1.26 -1.19 118.16 119.36 1h95 n LYS 14 Ca -0.17 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.94 1h95 n LYS 14 Cb 0.53 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.44 1h95 n LYS 14 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1h95 s TRP 15 N 0.00 2.90 0.04 5.64 0.51 -1.26 -4.41 118.94 122.36 1h95 s TRP 15 Ca 0.00 -0.56 -0.00 0.00 -2.12 0.00 0.00 56.10 53.42 1h95 s TRP 15 Cb 0.00 -1.91 -0.03 0.00 -0.81 0.00 0.00 33.47 30.72 1h95 s TRP 15 CO 0.00 -0.19 -0.03 -0.59 -0.51 0.00 0.00 176.95 175.63 1h95 s PHE 16 N 0.48 0.43 -0.59 -1.98 -0.71 -1.26 -4.70 117.98 109.65 1h95 s PHE 16 Ca -0.07 -0.80 -0.24 0.00 -1.04 0.00 0.00 56.93 54.78 1h95 s PHE 16 Cb -0.15 -0.31 0.05 0.00 -1.21 0.00 0.00 43.02 41.40 1h95 s PHE 16 CO 0.04 -0.28 0.96 1.21 -1.34 0.00 0.00 175.22 175.82 1h95 s ASN 17 N -2.23 6.29 0.23 1.98 2.47 -0.23 -4.91 114.94 118.54 1h95 s ASN 17 Ca -0.04 -0.51 0.01 0.00 0.42 0.00 0.00 52.86 52.74 1h95 s ASN 17 Cb -0.01 -2.44 0.25 0.00 -1.45 0.00 0.00 41.25 37.61 1h95 s ASN 17 CO -0.05 -1.31 1.59 0.58 -3.72 0.00 0.00 177.10 174.19 1h95 h VAL 18 N 6.01 1.32 -0.38 -5.21 2.07 -1.95 0.16 116.25 118.27 1h95 h VAL 18 Ca -0.27 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 1h95 h VAL 18 Cb 1.07 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1h95 h VAL 18 CO 1.12 0.51 0.17 -0.09 0.02 0.00 0.00 177.57 179.31 1h95 h ARG 19 N 0.35 0.55 0.16 1.57 9.65 -1.96 -2.63 114.38 122.07 1h95 h ARG 19 Ca 0.02 -0.09 -0.28 0.00 -1.10 0.00 0.00 59.98 58.53 1h95 h ARG 19 Cb 0.96 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.46 1h95 h ARG 19 CO 0.08 0.50 -1.36 -0.97 2.80 0.00 0.00 179.97 181.02 1h95 h ASN 20 N 0.47 0.53 -0.53 -3.80 -0.73 -2.01 -3.49 115.58 106.03 1h95 h ASN 20 Ca 0.13 -0.91 0.00 0.00 1.87 0.00 0.00 56.30 57.39 1h95 h ASN 20 Cb 0.14 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1h95 h ASN 20 CO -0.01 1.62 0.00 0.61 -0.37 0.00 0.00 177.43 179.28 1h95 n GLY 21 N 1.75 0.64 3.08 1.57 0.00 -0.12 -4.49 105.19 107.62 1h95 n GLY 21 Ca -0.21 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.72 0.71 -5.00 1.61 5.04 -0.24 -2.39 117.35 115.36 1h95 s TYR 22 Ca 0.00 -0.57 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1h95 s TYR 22 Cb 0.00 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 41.89 1h95 s TYR 22 CO 0.00 -0.09 0.00 0.41 -1.34 0.00 0.00 175.55 174.53 1h95 n GLY 23 N 1.21 0.73 3.14 8.97 0.00 -1.18 -1.07 105.19 116.98 1h95 n GLY 23 Ca -0.21 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 1h95 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h95 s PHE 24 N -3.20 0.13 0.30 1.61 -0.12 -1.26 -2.17 117.98 113.27 1h95 s PHE 24 Ca 0.00 -0.37 0.08 0.00 -0.05 0.00 0.00 56.93 56.59 1h95 s PHE 24 Cb 0.00 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1h95 s PHE 24 CO 0.00 -0.37 0.14 0.42 -0.05 0.00 0.00 175.22 175.36 1h95 s ILE 25 N -2.40 3.61 -0.51 -4.49 -1.09 -0.81 -4.72 121.20 110.79 1h95 s ILE 25 Ca -0.07 -1.62 -0.14 0.00 -2.23 0.00 0.00 60.65 56.60 1h95 s ILE 25 Cb -0.02 -3.09 0.12 0.00 -1.58 0.00 0.00 42.46 37.89 1h95 s ILE 25 CO -0.03 -0.28 0.44 0.21 -1.23 0.00 0.00 174.94 174.05 1h95 s ASN 26 N -3.83 6.02 0.09 3.58 3.04 0.07 -2.13 114.94 121.78 1h95 s ASN 26 Ca 0.35 -1.78 -0.32 0.00 0.04 0.00 0.00 52.86 51.15 1h95 s ASN 26 Cb -0.06 -2.14 -0.11 0.00 -1.54 0.00 0.00 41.25 37.40 1h95 s ASN 26 CO 0.23 -0.78 1.80 -1.14 -3.04 0.00 0.00 177.10 174.17 1h95 n ARG 27 N 5.13 2.55 -0.12 0.43 0.63 -0.44 -2.35 116.66 122.48 1h95 n ARG 27 Ca -0.12 0.93 -0.05 0.00 -0.92 0.00 0.00 57.85 57.69 1h95 n ARG 27 Cb 0.41 -2.79 0.03 0.00 0.45 0.00 0.00 32.46 30.56 1h95 n ARG 27 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 1h95 h ASN 28 N 8.24 0.02 -0.15 6.15 7.08 -1.90 -1.76 115.58 133.25 1h95 h ASN 28 Ca -0.47 0.07 -0.04 0.00 -3.08 0.00 0.00 56.30 52.78 1h95 h ASN 28 Cb 1.24 0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 37.56 1h95 h ASN 28 CO 0.94 0.05 -0.06 -0.78 -2.08 0.00 0.00 177.43 175.49 1h95 h ASP 29 N 0.21 0.32 0.00 6.14 3.58 -1.93 -3.36 116.42 121.39 1h95 h ASP 29 Ca 0.19 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.18 1h95 h ASP 29 Cb 0.23 -0.09 -0.14 0.00 1.72 0.00 0.00 39.33 41.05 1h95 h ASP 29 CO -0.25 0.65 -0.65 1.07 -2.88 0.00 0.00 179.24 177.17 1h95 n THR 30 N -4.65 0.23 -3.39 2.25 5.66 -1.25 -5.01 114.28 108.11 1h95 n THR 30 Ca -0.06 -0.66 -0.17 0.00 -3.05 0.00 0.00 64.05 60.12 1h95 n THR 30 Cb 0.29 0.59 0.09 0.00 -1.55 0.00 0.00 70.33 69.74 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 0.02 -6.46 -4.07 1.09 4.01 -0.68 -4.97 118.16 107.10 1h95 n LYS 31 Ca 0.04 0.82 -0.25 0.00 -0.51 0.00 0.00 58.31 58.41 1h95 n LYS 31 Cb 0.85 -5.77 -0.05 0.00 -0.51 0.00 0.00 35.03 29.56 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 -5.34 2.99 -0.26 1.97 0.41 -1.09 -4.81 118.70 112.58 1h95 s GLU 32 Ca 0.01 -0.88 -0.24 0.00 -0.41 0.00 0.00 54.97 53.46 1h95 s GLU 32 Cb -0.01 -2.67 -0.01 0.00 -1.78 0.00 0.00 34.13 29.66 1h95 s GLU 32 CO 0.71 0.47 0.79 -0.51 -0.49 0.00 0.00 175.26 176.22 1h95 s ASP 33 N -3.32 6.76 -0.42 -0.19 1.01 -1.26 -1.33 116.67 117.91 1h95 s ASP 33 Ca 0.32 0.91 -0.07 0.00 0.71 0.00 0.00 52.55 54.41 1h95 s ASP 33 Cb -0.10 -2.41 0.09 0.00 1.01 0.00 0.00 42.92 41.51 1h95 s ASP 33 CO 0.25 -0.51 0.25 -0.69 0.21 0.00 0.00 175.17 174.67 1h95 s VAL 34 N 2.81 3.94 0.01 -1.27 1.01 -0.91 -4.00 120.40 122.00 1h95 s VAL 34 Ca 0.33 -1.61 -0.27 0.00 0.00 0.00 0.00 61.98 60.43 1h95 s VAL 34 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1h95 s VAL 34 CO 0.09 -0.57 0.86 -0.36 0.00 0.00 0.00 175.10 175.12 1h95 s PHE 35 N 1.34 3.68 -0.04 5.22 0.08 -0.46 -1.93 117.98 125.87 1h95 s PHE 35 Ca 0.04 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.68 1h95 s PHE 35 Cb -0.23 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1h95 s PHE 35 CO 0.00 0.12 -0.13 0.08 -0.10 0.00 0.00 175.22 175.18 1h95 s VAL 36 N 0.54 1.13 0.45 -0.44 1.01 -0.92 -2.32 120.40 119.85 1h95 s VAL 36 Ca 0.44 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1h95 s VAL 36 Cb -0.20 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1h95 s VAL 36 CO 0.25 0.34 0.06 -1.00 0.00 0.00 0.00 175.10 174.74 1h95 s HIS 37 N 0.12 1.89 0.57 5.22 0.09 -1.26 -3.09 115.29 118.84 1h95 s HIS 37 Ca -0.04 -1.07 0.39 0.00 -0.00 0.00 0.00 55.06 54.34 1h95 s HIS 37 Cb -0.10 -1.41 2.10 0.00 -0.00 0.00 0.00 32.58 33.16 1h95 s HIS 37 CO 0.01 0.01 2.28 -0.56 -0.00 0.00 0.00 174.74 176.48 1h95 h GLN 38 N 1.62 0.00 0.00 1.40 3.07 -1.70 -1.26 115.11 118.25 1h95 h GLN 38 Ca -0.40 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.26 1h95 h GLN 38 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.84 1h95 h GLN 38 CO 0.67 0.01 -0.36 0.00 0.09 0.00 0.00 178.83 179.25 1h95 h THR 39 N 0.00 0.86 0.00 1.86 1.03 -1.93 -3.23 112.91 111.50 1h95 h THR 39 Ca -0.00 -1.46 -0.05 0.00 -0.01 0.00 0.00 66.41 64.89 1h95 h THR 39 Cb 0.09 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.05 1h95 h THR 39 CO 0.00 0.35 -0.81 0.00 -0.01 0.00 0.00 175.52 175.05 1h95 h ALA 40 N 1.64 0.67 -1.58 0.00 0.00 -1.51 -3.44 119.26 115.04 1h95 h ALA 40 Ca -0.00 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.08 1h95 h ALA 40 Cb 0.87 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1h95 h ALA 40 CO 0.05 0.30 0.90 0.42 0.00 0.00 0.00 179.25 180.92 1h95 s ILE 41 N -3.17 4.03 0.06 0.00 1.01 -1.20 -1.51 121.20 120.43 1h95 s ILE 41 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1h95 s ILE 41 Cb 0.08 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1h95 s ILE 41 CO 0.76 -1.42 0.00 0.29 0.00 0.00 0.00 174.94 174.57 1h95 n LYS 42 N 8.43 -0.55 -3.64 2.79 5.02 -1.08 -4.93 118.16 124.20 1h95 n LYS 42 Ca 0.05 0.36 -0.09 0.00 -2.02 0.00 0.00 58.31 56.62 1h95 n LYS 42 Cb 0.49 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.73 1h95 n LYS 42 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1h95 s LYS 43 N -0.48 0.31 0.92 1.97 2.47 -1.26 -4.78 119.74 118.89 1h95 s LYS 43 Ca 0.00 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.40 1h95 s LYS 43 Cb 0.00 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 1h95 s LYS 43 CO 0.00 -0.27 0.00 -1.71 0.16 0.00 0.00 175.35 173.53 1h95 n ASN 44 N 5.39 0.00 -4.67 1.43 2.85 -1.26 -4.70 115.26 114.29 1h95 n ASN 44 Ca -0.08 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.97 1h95 n ASN 44 Cb 0.49 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.49 1h95 n ASN 44 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1h95 s ASN 45 N -4.00 6.81 0.90 1.20 2.47 -1.26 -5.01 114.94 116.04 1h95 s ASN 45 Ca 0.00 2.05 -0.13 0.00 0.42 0.00 0.00 52.86 55.20 1h95 s ASN 45 Cb 0.00 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.39 1h95 s ASN 45 CO 0.00 -0.81 1.16 -2.16 -3.72 0.00 0.00 177.10 171.57 1h95 s PRO 46 N 3.30 1.24 -0.42 0.43 0.04 -1.26 -5.05 135.00 133.29 1h95 s PRO 46 Ca 0.65 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.90 1h95 s PRO 46 Cb -0.30 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.55 1h95 s PRO 46 CO 0.24 -2.11 0.38 0.50 0.04 0.00 0.00 177.00 176.05 1h95 s ARG 47 N -5.41 0.88 2.92 4.56 6.06 -1.26 -5.11 118.95 121.58 1h95 s ARG 47 Ca 0.64 -1.87 0.00 0.00 -2.50 0.00 0.00 55.73 52.00 1h95 s ARG 47 Cb -0.13 -1.21 0.00 0.00 0.06 0.00 0.00 34.95 33.67 1h95 s ARG 47 CO 0.52 -1.36 0.00 1.63 -2.50 0.00 0.00 175.30 173.59 1h95 n LYS 48 N 3.01 0.00 -4.24 5.12 5.02 -1.26 -4.88 118.16 120.93 1h95 n LYS 48 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 1h95 n LYS 48 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.39 1h95 n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1h95 s TYR 49 N 0.00 2.73 -0.53 2.13 2.02 -1.26 -5.09 117.35 117.35 1h95 s TYR 49 Ca 0.00 -0.17 -0.23 0.00 -0.37 0.00 0.00 57.07 56.30 1h95 s TYR 49 Cb 0.00 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1h95 s TYR 49 CO 0.00 0.46 0.86 -1.17 -1.57 0.00 0.00 175.55 174.13 1h95 s LEU 50 N -2.46 4.30 -0.17 -1.29 2.96 -1.26 -4.93 118.68 115.82 1h95 s LEU 50 Ca 0.23 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.55 1h95 s LEU 50 Cb -0.10 -2.76 -0.06 0.00 0.50 0.00 0.00 46.19 43.77 1h95 s LEU 50 CO 0.15 -1.13 -0.24 0.54 -1.32 0.00 0.00 176.35 174.35 1h95 n ARG 51 N 7.13 0.50 -4.61 1.98 1.74 -1.26 -4.99 116.66 117.16 1h95 n ARG 51 Ca 0.00 0.37 -0.30 0.00 -0.77 0.00 0.00 57.85 57.15 1h95 n ARG 51 Cb 0.47 -1.57 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 1h95 n ARG 51 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h95 s SER 52 N -6.03 3.61 0.22 0.55 0.15 -1.26 -5.14 113.70 105.80 1h95 s SER 52 Ca -0.24 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 55.99 1h95 s SER 52 Cb 0.04 -0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 1h95 s SER 52 CO 0.36 0.23 -0.22 0.68 1.20 0.00 0.00 173.24 175.49 1h95 s VAL 53 N -0.96 2.30 -0.00 4.45 -7.23 -1.26 -5.15 120.40 112.54 1h95 s VAL 53 Ca 0.15 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1h95 s VAL 53 Cb -0.10 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 1h95 s VAL 53 CO 0.06 -0.26 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.72 1h95 s GLY 54 N -2.98 0.17 0.30 2.32 0.00 -1.26 -5.14 107.32 100.73 1h95 s GLY 54 Ca 0.23 -0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 1h95 s GLY 54 CO 0.11 -0.14 1.16 0.51 0.00 0.00 0.00 173.10 174.74 1h95 s ASP 55 N -0.11 7.11 0.00 1.64 -4.77 -1.26 -3.49 116.67 115.79 1h95 s ASP 55 Ca 0.01 2.39 0.00 0.00 -3.30 0.00 0.00 52.55 51.65 1h95 s ASP 55 Cb -0.02 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 1h95 s ASP 55 CO -0.00 -0.27 0.00 0.61 0.70 0.00 0.00 175.17 176.21 1h95 n GLY 56 N 1.06 0.58 3.83 2.12 0.00 -0.33 -5.01 105.19 107.45 1h95 n GLY 56 Ca -0.01 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1h95 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h95 s GLU 57 N -0.39 3.99 -0.03 1.61 2.02 -1.19 -4.75 118.70 119.97 1h95 s GLU 57 Ca 0.00 1.01 -0.08 0.00 0.02 0.00 0.00 54.97 55.92 1h95 s GLU 57 Cb 0.00 -2.14 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 1h95 s GLU 57 CO 0.00 -0.23 0.26 0.95 0.02 0.00 0.00 175.26 176.25 1h95 s THR 58 N -2.50 5.31 0.04 3.63 -4.23 -1.26 -1.55 115.64 115.07 1h95 s THR 58 Ca 0.60 0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 1h95 s THR 58 Cb -0.10 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1h95 s THR 58 CO 0.27 0.46 0.21 0.54 -0.54 0.00 0.00 174.62 175.56 1h95 s VAL 59 N -1.20 0.10 -0.00 2.29 0.11 -0.45 -4.96 120.40 116.29 1h95 s VAL 59 Ca 0.24 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1h95 s VAL 59 Cb -0.13 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1h95 s VAL 59 CO 0.13 -0.46 0.08 -1.83 -3.33 0.00 0.00 175.10 169.68 1h95 s GLU 60 N -2.44 3.05 0.29 1.54 -1.05 -1.26 -1.60 118.70 117.23 1h95 s GLU 60 Ca -0.06 -0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 54.11 1h95 s GLU 60 Cb -0.02 -2.85 0.02 0.00 -0.44 0.00 0.00 34.13 30.84 1h95 s GLU 60 CO -0.03 0.65 0.64 -0.59 0.95 0.00 0.00 175.26 176.87 1h95 s PHE 61 N -1.19 0.15 0.23 4.83 -0.12 0.08 -2.69 117.98 119.27 1h95 s PHE 61 Ca 0.23 -0.60 -0.03 0.00 -0.05 0.00 0.00 56.93 56.48 1h95 s PHE 61 Cb -0.12 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 1h95 s PHE 61 CO 0.14 -1.21 0.46 -0.51 -0.05 0.00 0.00 175.22 174.04 1h95 s ASP 62 N -3.01 6.42 -0.50 1.98 1.01 -0.91 0.38 116.67 122.05 1h95 s ASP 62 Ca 0.17 0.55 -0.05 0.00 0.71 0.00 0.00 52.55 53.93 1h95 s ASP 62 Cb -0.04 -2.07 0.13 0.00 1.01 0.00 0.00 42.92 41.95 1h95 s ASP 62 CO 0.10 -0.09 0.32 -0.69 0.21 0.00 0.00 175.17 175.02 1h95 s VAL 63 N -1.93 3.71 -0.21 -1.27 1.01 0.97 -4.01 120.40 118.66 1h95 s VAL 63 Ca 0.41 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 60.13 1h95 s VAL 63 Cb -0.11 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1h95 s VAL 63 CO 0.29 -0.78 -0.06 0.68 0.00 0.00 0.00 175.10 175.23 1h95 s VAL 64 N 0.82 1.45 -0.23 2.92 -7.23 -0.63 -1.30 120.40 116.20 1h95 s VAL 64 Ca 0.10 -1.05 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 1h95 s VAL 64 Cb -0.22 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1h95 s VAL 64 CO -0.03 -0.01 0.36 -0.70 -0.31 0.00 0.00 175.10 174.41 1h95 s GLU 65 N 1.45 4.11 0.00 4.82 2.12 -1.26 -0.39 118.70 129.55 1h95 s GLU 65 Ca -0.04 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1h95 s GLU 65 Cb -0.18 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1h95 s GLU 65 CO -0.07 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1h95 n GLY 66 N 4.19 0.00 0.00 -1.50 0.00 -1.26 -3.87 105.19 102.75 1h95 n GLY 66 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1h95 n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h95 n GLU 67 N -2.64 2.13 0.08 1.61 1.02 -1.26 -4.99 120.64 116.59 1h95 n GLU 67 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1h95 n GLU 67 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.74 1h95 n GLU 67 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h95 h LYS 68 N 0.00 0.13 -4.37 3.49 1.57 -2.01 -3.46 116.57 111.92 1h95 h LYS 68 Ca 0.00 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.41 1h95 h LYS 68 Cb 0.00 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.23 1h95 h LYS 68 CO 0.00 1.04 -0.60 0.20 -0.57 0.00 0.00 179.45 179.52 1h95 s GLY 69 N -4.64 0.96 0.31 3.86 0.00 -1.26 -5.16 107.32 101.40 1h95 s GLY 69 Ca -0.01 -1.42 -0.10 0.00 0.00 0.00 0.00 44.72 43.19 1h95 s GLY 69 CO 0.84 -1.29 0.65 0.00 0.00 0.00 0.00 173.10 173.30 1h95 s ALA 70 N -4.05 3.46 0.00 3.20 0.00 -1.26 -4.51 121.76 118.61 1h95 s ALA 70 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1h95 s ALA 70 Cb 0.07 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1h95 s ALA 70 CO 0.03 0.28 0.00 -0.85 0.00 0.00 0.00 175.76 175.21 1h95 n GLU 71 N -0.66 2.01 -3.83 0.00 0.28 0.47 -1.36 120.64 117.55 1h95 n GLU 71 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.91 1h95 n GLU 71 Cb 0.53 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.32 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 -0.38 0.11 -1.84 0.00 -0.98 -1.60 121.76 115.07 1h95 s ALA 72 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 1h95 s ALA 72 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1h95 s ALA 72 CO 0.00 -0.41 0.15 0.00 0.00 0.00 0.00 175.76 175.50 1h95 s ALA 73 N -2.92 0.17 -1.45 0.00 0.00 -1.26 -4.73 121.76 111.58 1h95 s ALA 73 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1h95 s ALA 73 Cb 0.01 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.79 1h95 s ALA 73 CO -0.06 -0.52 1.08 0.09 0.00 0.00 0.00 175.76 176.35 1h95 n ASN 74 N -0.08 -5.47 -4.60 0.00 3.02 -1.19 -2.15 115.26 104.79 1h95 n ASN 74 Ca -0.11 -0.67 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 1h95 n ASN 74 Cb 0.63 -4.43 -0.02 0.00 -0.61 0.00 0.00 39.78 35.34 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 -3.31 3.96 0.00 2.41 1.01 -0.57 -4.63 120.40 119.26 1h95 s VAL 75 Ca 0.61 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1h95 s VAL 75 Cb -0.29 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1h95 s VAL 75 CO 0.78 -0.85 0.00 0.41 0.00 0.00 0.00 175.10 175.44 1h95 n THR 76 N 7.02 0.00 0.00 3.92 -1.04 -1.10 -2.62 114.28 120.46 1h95 n THR 76 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1h95 n THR 76 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 3.51 3.05 3.80 3.41 0.00 -1.26 -4.60 105.19 113.09 1h95 n GLY 77 Ca 0.00 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.72 3.10 0.00 1.61 0.04 -1.26 -5.07 135.00 130.70 1h95 s PRO 78 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1h95 s PRO 78 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1h95 s PRO 78 CO 0.00 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.47