#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 n LYS 2 N 0.00 0.00 -1.70 3.17 3.00 -1.26 -4.80 118.16 116.57 1h95 n LYS 2 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1h95 n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1h95 n LYS 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1h95 n LYS 3 N 0.00 -0.54 0.00 1.64 5.02 -1.26 -5.04 118.16 117.98 1h95 n LYS 3 Ca 0.00 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1h95 n LYS 3 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1h95 n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h95 n VAL 4 N 0.01 0.00 -0.00 -0.18 0.31 -1.25 -4.97 118.33 112.25 1h95 n VAL 4 Ca 0.00 0.11 -0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1h95 n VAL 4 Cb 0.01 -1.02 -0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1h95 n VAL 4 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1h95 h ILE 5 N 0.00 0.00 -3.26 2.52 5.03 -1.92 -3.50 117.51 116.39 1h95 h ILE 5 Ca 0.00 -0.04 -0.10 0.00 -0.12 0.00 0.00 64.86 64.60 1h95 h ILE 5 Cb 0.00 0.00 -0.18 0.00 -3.03 0.00 0.00 36.82 33.61 1h95 h ILE 5 CO 0.00 0.00 -0.26 0.00 -0.68 0.00 0.00 178.15 177.21 1h95 s ALA 6 N -2.99 -0.69 0.09 1.87 0.00 -1.25 -5.02 121.76 113.78 1h95 s ALA 6 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1h95 s ALA 6 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1h95 s ALA 6 CO 0.00 -0.38 -0.05 0.95 0.00 0.00 0.00 175.76 176.29 1h95 s THR 7 N -2.28 3.73 -0.84 0.00 -4.23 -1.26 -0.12 115.64 110.64 1h95 s THR 7 Ca -0.07 -1.07 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1h95 s THR 7 Cb -0.02 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 1h95 s THR 7 CO -0.02 0.15 0.71 0.29 -0.54 0.00 0.00 174.62 175.21 1h95 n LYS 8 N 0.73 -1.43 -5.04 3.99 5.02 -1.00 -4.96 118.16 115.47 1h95 n LYS 8 Ca -0.12 1.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.97 1h95 n LYS 8 Cb 0.52 -4.63 -0.15 0.00 -0.02 0.00 0.00 35.03 30.75 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 -3.09 2.07 0.06 -0.18 1.01 0.16 -4.89 120.40 115.53 1h95 s VAL 9 Ca 0.10 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1h95 s VAL 9 Cb -0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1h95 s VAL 9 CO 0.80 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 175.71 1h95 s LEU 10 N -0.99 4.03 0.03 3.92 2.01 -1.26 -1.15 118.68 125.27 1h95 s LEU 10 Ca 0.11 0.12 -0.28 0.00 0.01 0.00 0.00 54.13 54.08 1h95 s LEU 10 Cb -0.10 -2.64 0.10 0.00 0.01 0.00 0.00 46.19 43.56 1h95 s LEU 10 CO 0.01 0.18 1.20 -0.83 1.01 0.00 0.00 176.35 177.92 1h95 s GLY 11 N -2.35 -0.31 -0.08 -3.19 0.00 -1.07 -3.41 107.32 96.89 1h95 s GLY 11 Ca 0.31 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.48 1h95 s GLY 11 CO 0.23 0.74 -0.10 -1.59 0.00 0.00 0.00 173.10 172.38 1h95 s THR 12 N -2.56 3.37 -0.24 0.90 2.01 -0.37 -1.48 115.64 117.27 1h95 s THR 12 Ca 0.16 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 1h95 s THR 12 Cb 0.03 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1h95 s THR 12 CO -0.02 0.57 0.11 -0.69 -0.69 0.00 0.00 174.62 173.90 1h95 s VAL 13 N -0.43 4.78 -0.29 3.82 1.01 -0.29 -1.05 120.40 127.95 1h95 s VAL 13 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1h95 s VAL 13 Cb -0.12 -3.23 0.17 0.00 0.00 0.00 0.00 36.38 33.20 1h95 s VAL 13 CO 0.02 0.35 0.47 -0.75 0.00 0.00 0.00 175.10 175.18 1h95 s LYS 14 N 1.30 0.47 0.07 2.72 2.20 -1.26 -0.14 119.74 125.09 1h95 s LYS 14 Ca 0.06 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1h95 s LYS 14 Cb -0.15 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1h95 s LYS 14 CO 0.05 -1.05 0.00 0.91 -0.36 0.00 0.00 175.35 174.90 1h95 n TRP 15 N 5.35 -0.46 -3.78 4.03 5.03 -1.26 -4.96 117.44 121.38 1h95 n TRP 15 Ca 0.02 0.25 0.00 0.00 3.03 0.00 0.00 57.50 60.80 1h95 n TRP 15 Cb 0.51 -0.66 0.00 0.00 -1.03 0.00 0.00 31.31 30.13 1h95 n TRP 15 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1h95 n PHE 16 N -1.89 0.00 -3.16 -5.99 7.35 -1.26 -4.67 117.46 107.84 1h95 n PHE 16 Ca -0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1h95 n PHE 16 Cb 0.06 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.84 1h95 n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1h95 n ASN 17 N -2.01 2.85 0.25 -2.13 5.15 -0.40 -4.93 115.26 114.04 1h95 n ASN 17 Ca 0.00 -3.33 0.13 0.00 -0.60 0.00 0.00 54.58 50.78 1h95 n ASN 17 Cb 0.00 -0.61 0.65 0.00 -0.53 0.00 0.00 39.78 39.28 1h95 n ASN 17 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1h95 h VAL 18 N 2.45 0.48 -0.17 3.44 -1.51 -1.95 0.49 116.25 119.48 1h95 h VAL 18 Ca 0.13 -0.73 0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1h95 h VAL 18 Cb 0.70 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1h95 h VAL 18 CO 0.70 0.14 0.07 -0.09 -1.23 0.00 0.00 177.57 177.16 1h95 h ARG 19 N 0.00 0.16 0.06 5.19 2.43 -1.92 -3.28 114.38 117.01 1h95 h ARG 19 Ca -0.00 -0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 58.80 1h95 h ARG 19 Cb 0.49 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1h95 h ARG 19 CO 0.02 0.10 -2.09 0.09 -1.51 0.00 0.00 179.97 176.58 1h95 n ASN 20 N -5.03 1.70 0.00 -3.80 4.13 -1.22 -5.04 115.26 105.99 1h95 n ASN 20 Ca -0.03 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1h95 n ASN 20 Cb 0.06 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1h95 n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h95 n GLY 21 N 1.96 0.63 3.18 7.41 0.00 0.02 -5.15 105.19 113.23 1h95 n GLY 21 Ca -0.32 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1h95 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h95 s TYR 22 N -0.61 1.00 0.21 1.61 2.02 -0.36 -4.80 117.35 116.43 1h95 s TYR 22 Ca 0.00 -1.26 0.07 0.00 -0.37 0.00 0.00 57.07 55.50 1h95 s TYR 22 Cb 0.00 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 1h95 s TYR 22 CO 0.00 -0.53 -0.11 0.20 -1.57 0.00 0.00 175.55 173.54 1h95 s GLY 23 N -3.10 1.44 0.01 0.71 0.00 -0.68 -1.27 107.32 104.42 1h95 s GLY 23 Ca 0.29 -1.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 1h95 s GLY 23 CO 0.05 -1.73 0.01 -0.11 0.00 0.00 0.00 173.10 171.32 1h95 s PHE 24 N -3.09 0.14 0.05 1.90 -0.12 -1.26 -0.79 117.98 114.81 1h95 s PHE 24 Ca 0.23 -0.28 0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1h95 s PHE 24 Cb 0.01 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1h95 s PHE 24 CO 0.07 -0.14 -0.01 0.42 -0.05 0.00 0.00 175.22 175.51 1h95 s ILE 25 N -0.95 4.01 -0.66 -4.49 1.01 0.67 -4.71 121.20 116.08 1h95 s ILE 25 Ca -0.10 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 1h95 s ILE 25 Cb -0.06 -2.85 0.17 0.00 0.01 0.00 0.00 42.46 39.72 1h95 s ILE 25 CO -0.00 0.22 0.59 0.21 0.00 0.00 0.00 174.94 175.96 1h95 s ASN 26 N -1.99 6.30 0.09 3.58 3.84 -0.22 -2.10 114.94 124.45 1h95 s ASN 26 Ca 0.23 -2.26 -0.31 0.00 0.21 0.00 0.00 52.86 50.73 1h95 s ASN 26 Cb -0.12 -2.16 -0.08 0.00 -0.55 0.00 0.00 41.25 38.35 1h95 s ASN 26 CO 0.15 -0.69 1.41 -0.60 -2.79 0.00 0.00 177.10 174.58 1h95 s ARG 27 N 0.85 4.30 -0.48 0.43 3.00 -0.92 -1.23 118.95 124.91 1h95 s ARG 27 Ca 0.11 2.08 -0.28 0.00 -1.00 0.00 0.00 55.73 56.63 1h95 s ARG 27 Cb -0.21 -3.32 0.01 0.00 0.00 0.00 0.00 34.95 31.43 1h95 s ARG 27 CO -0.03 -0.48 1.48 0.54 0.00 0.00 0.00 175.30 176.81 1h95 s ASN 28 N 1.32 6.13 0.00 -2.12 2.20 -1.22 -2.43 114.94 118.81 1h95 s ASN 28 Ca 0.65 0.60 0.00 0.00 -0.94 0.00 0.00 52.86 53.17 1h95 s ASN 28 Cb -0.36 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.35 1h95 s ASN 28 CO 0.30 -1.65 0.00 -0.67 -2.94 0.00 0.00 177.10 172.14 1h95 n ASP 29 N 9.57 0.00 -2.78 3.54 -0.08 -1.26 -4.94 116.55 120.60 1h95 n ASP 29 Ca 0.16 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.41 1h95 n ASP 29 Cb 0.49 0.11 0.04 0.00 2.34 0.00 0.00 41.12 44.10 1h95 n ASP 29 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1h95 n THR 30 N -1.28 1.19 -3.31 5.18 5.66 -1.26 -4.99 114.28 115.47 1h95 n THR 30 Ca 0.00 -2.97 -0.15 0.00 -3.05 0.00 0.00 64.05 57.88 1h95 n THR 30 Cb 0.00 1.09 0.01 0.00 -1.55 0.00 0.00 70.33 69.88 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 -0.43 -1.68 -4.01 1.09 4.01 -1.25 -4.97 118.16 110.91 1h95 n LYS 31 Ca 0.08 1.38 -0.35 0.00 -0.51 0.00 0.00 58.31 58.91 1h95 n LYS 31 Cb 0.81 -4.14 -0.09 0.00 -0.51 0.00 0.00 35.03 31.10 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 -3.43 3.74 -0.36 1.97 0.41 -1.02 -4.93 118.70 115.08 1h95 s GLU 32 Ca 0.11 -0.30 -0.19 0.00 -0.41 0.00 0.00 54.97 54.18 1h95 s GLU 32 Cb -0.02 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1h95 s GLU 32 CO 0.82 0.45 0.55 0.34 -0.49 0.00 0.00 175.26 176.93 1h95 s ASP 33 N -0.12 6.34 -0.27 -0.19 2.15 -1.26 -2.16 116.67 121.16 1h95 s ASP 33 Ca 0.08 -0.03 -0.02 0.00 0.43 0.00 0.00 52.55 53.00 1h95 s ASP 33 Cb -0.12 -2.29 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1h95 s ASP 33 CO 0.01 -0.54 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.76 1h95 s VAL 34 N 2.50 3.07 0.23 1.11 1.01 -0.89 -3.62 120.40 123.81 1h95 s VAL 34 Ca 0.20 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1h95 s VAL 34 Cb -0.15 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 1h95 s VAL 34 CO 0.14 0.07 0.72 0.72 0.00 0.00 0.00 175.10 176.75 1h95 s PHE 35 N 1.32 3.61 0.01 5.22 -0.71 -0.92 -0.24 117.98 126.27 1h95 s PHE 35 Ca -0.01 1.36 0.01 0.00 -1.04 0.00 0.00 56.93 57.24 1h95 s PHE 35 Cb -0.18 -2.60 -0.01 0.00 -1.21 0.00 0.00 43.02 39.02 1h95 s PHE 35 CO -0.02 0.31 -0.04 0.54 -1.34 0.00 0.00 175.22 174.66 1h95 s VAL 36 N -1.58 0.30 -0.08 -2.49 0.11 0.03 -2.70 120.40 113.98 1h95 s VAL 36 Ca 0.44 -0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1h95 s VAL 36 Cb -0.16 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1h95 s VAL 36 CO 0.20 -0.07 0.19 -2.28 -3.33 0.00 0.00 175.10 169.82 1h95 s HIS 37 N -0.45 3.61 0.35 1.54 2.46 -1.26 -1.68 115.29 119.86 1h95 s HIS 37 Ca -0.03 0.59 0.06 0.00 0.47 0.00 0.00 55.06 56.15 1h95 s HIS 37 Cb -0.04 -1.99 0.74 0.00 -0.13 0.00 0.00 32.58 31.17 1h95 s HIS 37 CO -0.00 0.71 1.92 1.96 -2.47 0.00 0.00 174.74 176.86 1h95 h GLN 38 N 4.74 0.75 0.00 2.88 4.20 -1.95 -0.94 115.11 124.78 1h95 h GLN 38 Ca -0.53 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1h95 h GLN 38 Cb 1.22 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1h95 h GLN 38 CO 0.60 0.49 0.00 0.00 -0.67 0.00 0.00 178.83 179.26 1h95 h THR 39 N 0.77 0.00 0.00 -0.54 1.03 -1.98 -2.75 112.91 109.43 1h95 h THR 39 Ca 0.37 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 66.46 1h95 h THR 39 Cb 0.40 1.14 -0.00 0.00 -1.07 0.00 0.00 68.15 68.62 1h95 h THR 39 CO -0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 175.52 175.09 1h95 h ALA 40 N 2.07 0.86 -2.45 0.00 0.00 -1.56 -3.45 119.26 114.73 1h95 h ALA 40 Ca 0.00 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.28 1h95 h ALA 40 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1h95 h ALA 40 CO 0.00 0.18 0.19 0.42 0.00 0.00 0.00 179.25 180.04 1h95 s ILE 41 N -3.16 4.47 0.39 0.00 1.01 -1.04 -1.71 121.20 121.16 1h95 s ILE 41 Ca 0.05 1.41 -0.24 0.00 0.00 0.00 0.00 60.65 61.87 1h95 s ILE 41 Cb 0.06 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 1h95 s ILE 41 CO 0.71 0.11 0.77 2.29 0.00 0.00 0.00 174.94 178.81 1h95 n LYS 42 N 0.46 0.90 -3.83 2.79 -0.00 -0.07 -4.89 118.16 113.52 1h95 n LYS 42 Ca 0.00 0.32 -0.08 0.00 -0.00 0.00 0.00 58.31 58.55 1h95 n LYS 42 Cb 0.51 -1.71 -0.03 0.00 -0.00 0.00 0.00 35.03 33.80 1h95 n LYS 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1h95 s LYS 43 N -1.70 1.62 0.00 -1.58 -2.85 -1.26 -4.99 119.74 108.97 1h95 s LYS 43 Ca 0.63 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1h95 s LYS 43 Cb -0.62 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 35.71 1h95 s LYS 43 CO 0.58 -0.71 0.00 0.09 0.10 0.00 0.00 175.35 175.40 1h95 n ASN 44 N -0.41 0.00 -4.60 0.03 5.03 -1.26 -4.86 115.26 109.19 1h95 n ASN 44 Ca -0.06 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.96 1h95 n ASN 44 Cb 0.61 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.35 1h95 n ASN 44 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1h95 s ASN 45 N 0.00 6.35 0.74 6.41 0.01 -1.26 -5.01 114.94 122.18 1h95 s ASN 45 Ca 0.00 0.74 -0.11 0.00 -0.71 0.00 0.00 52.86 52.78 1h95 s ASN 45 Cb 0.00 -2.54 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1h95 s ASN 45 CO 0.00 -1.43 1.10 -2.16 -1.51 0.00 0.00 177.10 173.10 1h95 s PRO 46 N 4.93 2.57 -0.45 -0.60 0.04 -1.26 -5.03 135.00 135.20 1h95 s PRO 46 Ca 0.59 0.51 0.04 0.00 0.04 0.00 0.00 61.00 62.17 1h95 s PRO 46 Cb -0.13 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.55 1h95 s PRO 46 CO 0.32 -1.25 0.19 0.50 0.04 0.00 0.00 177.00 176.81 1h95 s ARG 47 N -5.30 1.71 -1.21 4.56 3.52 -1.26 -5.05 118.95 115.91 1h95 s ARG 47 Ca 0.59 -2.28 -0.08 0.00 -0.13 0.00 0.00 55.73 53.83 1h95 s ARG 47 Cb -0.12 -3.13 0.21 0.00 -1.56 0.00 0.00 34.95 30.35 1h95 s ARG 47 CO 0.52 -1.06 1.73 1.63 -0.81 0.00 0.00 175.30 177.32 1h95 n LYS 48 N 3.56 3.89 -1.81 5.12 5.02 -1.26 -4.93 118.16 127.75 1h95 n LYS 48 Ca 0.05 -3.87 -0.04 0.00 -2.02 0.00 0.00 58.31 52.43 1h95 n LYS 48 Cb 0.36 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 1h95 n LYS 48 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1h95 n TYR 49 N 3.10 -1.57 0.00 2.13 4.01 -1.26 -5.11 117.16 118.46 1h95 n TYR 49 Ca 0.35 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1h95 n TYR 49 Cb 0.35 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1h95 n TYR 49 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1h95 n LEU 50 N 0.00 0.85 -4.79 7.72 4.77 -1.26 -4.96 117.00 119.33 1h95 n LEU 50 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1h95 n LEU 50 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1h95 n LEU 50 CO 0.06 0.00 0.20 -0.13 -1.33 0.00 0.00 177.39 176.19 1h95 s ARG 51 N 0.00 4.17 0.00 3.23 0.52 -1.26 -5.07 118.95 120.54 1h95 s ARG 51 Ca 0.00 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1h95 s ARG 51 Cb 0.00 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1h95 s ARG 51 CO 0.00 0.48 0.00 0.45 0.02 0.00 0.00 175.30 176.25 1h95 n SER 52 N 2.45 0.68 -4.64 0.23 2.88 -1.26 -5.19 113.62 108.77 1h95 n SER 52 Ca -0.10 -0.94 -0.28 0.00 -1.33 0.00 0.00 58.87 56.23 1h95 n SER 52 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1h95 n SER 52 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1h95 s VAL 53 N -1.58 2.04 0.32 2.46 -7.23 -1.26 -5.07 120.40 110.09 1h95 s VAL 53 Ca 0.00 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1h95 s VAL 53 Cb 0.00 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1h95 s VAL 53 CO 0.00 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1h95 n GLY 54 N -1.01 -1.56 3.56 2.32 0.00 -1.26 -4.91 105.19 102.33 1h95 n GLY 54 Ca -0.04 0.38 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 1h95 n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h95 s ASP 55 N -2.00 5.49 0.00 1.61 -4.77 -1.26 -1.93 116.67 113.81 1h95 s ASP 55 Ca 0.00 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 48.45 1h95 s ASP 55 Cb 0.00 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 1h95 s ASP 55 CO 0.00 -2.42 0.00 0.61 0.70 0.00 0.00 175.17 174.06 1h95 n GLY 56 N 6.78 1.32 3.84 2.12 0.00 0.80 -4.95 105.19 115.09 1h95 n GLY 56 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.36 3.40 0.04 1.61 -1.05 -0.81 -4.83 118.70 116.69 1h95 s GLU 57 Ca 0.00 0.92 -0.01 0.00 -0.15 0.00 0.00 54.97 55.73 1h95 s GLU 57 Cb 0.00 -2.05 -0.04 0.00 -0.44 0.00 0.00 34.13 31.60 1h95 s GLU 57 CO 0.00 -0.73 0.18 0.99 0.95 0.00 0.00 175.26 176.65 1h95 s THR 58 N -2.94 5.28 0.06 1.83 2.01 -1.26 -1.14 115.64 119.48 1h95 s THR 58 Ca 0.58 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1h95 s THR 58 Cb -0.13 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1h95 s THR 58 CO 0.48 0.21 -0.05 0.68 -0.69 0.00 0.00 174.62 175.26 1h95 s VAL 59 N -1.42 0.38 -0.06 3.82 -7.23 -0.55 -4.46 120.40 110.87 1h95 s VAL 59 Ca 0.31 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 58.78 1h95 s VAL 59 Cb -0.13 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 1h95 s VAL 59 CO 0.24 -0.84 0.11 -1.61 -0.31 0.00 0.00 175.10 172.69 1h95 s GLU 60 N -3.35 3.28 0.24 4.82 2.02 0.52 -2.60 118.70 123.63 1h95 s GLU 60 Ca 0.04 -0.30 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 1h95 s GLU 60 Cb 0.03 -3.03 0.04 0.00 0.10 0.00 0.00 34.13 31.27 1h95 s GLU 60 CO -0.06 0.71 0.54 1.97 0.02 0.00 0.00 175.26 178.44 1h95 n PHE 61 N 1.60 -1.77 -4.35 1.61 -1.74 -0.30 -2.30 117.46 110.20 1h95 n PHE 61 Ca -0.16 -1.15 -0.30 0.00 -0.56 0.00 0.00 57.45 55.27 1h95 n PHE 61 Cb 0.54 0.57 -0.11 0.00 1.52 0.00 0.00 39.48 42.01 1h95 n PHE 61 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1h95 s ASP 62 N -2.39 4.25 -0.94 5.98 1.01 -1.24 0.36 116.67 123.71 1h95 s ASP 62 Ca 0.11 -0.38 -0.11 0.00 0.71 0.00 0.00 52.55 52.88 1h95 s ASP 62 Cb -0.03 -0.79 0.24 0.00 1.01 0.00 0.00 42.92 43.35 1h95 s ASP 62 CO 0.07 0.21 0.90 -0.69 0.21 0.00 0.00 175.17 175.87 1h95 s VAL 63 N -1.12 5.66 -0.42 -1.27 1.01 0.83 -4.04 120.40 121.05 1h95 s VAL 63 Ca 0.19 -2.95 0.02 0.00 0.00 0.00 0.00 61.98 59.24 1h95 s VAL 63 Cb -0.11 -4.46 0.15 0.00 0.00 0.00 0.00 36.38 31.97 1h95 s VAL 63 CO 0.11 -1.09 0.29 0.68 0.00 0.00 0.00 175.10 175.08 1h95 s VAL 64 N -0.51 0.71 0.00 2.92 -7.23 0.25 -2.61 120.40 113.92 1h95 s VAL 64 Ca 0.24 -2.44 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 1h95 s VAL 64 Cb -0.10 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1h95 s VAL 64 CO -0.09 -1.06 0.00 1.21 -0.31 0.00 0.00 175.10 174.85 1h95 n GLU 65 N 3.33 0.00 0.00 4.82 2.13 -1.26 -4.10 120.64 125.56 1h95 n GLU 65 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1h95 n GLU 65 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1h95 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1h95 n GLY 66 N 0.64 3.15 0.19 8.31 0.00 -0.23 -4.88 105.19 112.37 1h95 n GLY 66 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1h95 n GLY 66 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1h95 h GLU 67 N 0.00 -0.37 0.00 1.61 4.11 -2.01 -3.38 114.58 114.54 1h95 h GLU 67 Ca 0.00 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 1h95 h GLU 67 Cb 0.00 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1h95 h GLU 67 CO 0.00 -0.04 -0.69 1.63 0.07 0.00 0.00 179.01 179.99 1h95 n LYS 68 N -5.09 0.48 0.00 1.06 5.02 -1.26 -5.09 118.16 113.28 1h95 n LYS 68 Ca -0.09 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1h95 n LYS 68 Cb 0.26 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1h95 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h95 n GLY 69 N 1.57 0.29 3.21 0.72 0.00 -1.26 -5.16 105.19 104.55 1h95 n GLY 69 Ca -0.11 0.43 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 1h95 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h95 s ALA 70 N -1.00 1.37 0.34 4.61 0.00 -1.24 -1.07 121.76 124.77 1h95 s ALA 70 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1h95 s ALA 70 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1h95 s ALA 70 CO 0.00 0.23 0.11 -0.85 0.00 0.00 0.00 175.76 175.25 1h95 n GLU 71 N 1.24 0.66 -3.97 0.00 0.28 -1.26 -2.17 120.64 115.43 1h95 n GLU 71 Ca -0.21 -2.87 -0.09 0.00 -0.16 0.00 0.00 57.16 53.83 1h95 n GLU 71 Cb 0.54 1.51 -0.10 0.00 1.43 0.00 0.00 31.44 34.82 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 -2.91 0.07 -0.02 -1.84 0.00 -1.10 -0.58 121.76 115.39 1h95 s ALA 72 Ca 0.16 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1h95 s ALA 72 Cb 0.01 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1h95 s ALA 72 CO 0.11 -0.28 0.07 0.00 0.00 0.00 0.00 175.76 175.67 1h95 s ALA 73 N -2.44 -0.17 -1.11 0.00 0.00 -1.26 -4.82 121.76 111.96 1h95 s ALA 73 Ca -0.07 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1h95 s ALA 73 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1h95 s ALA 73 CO -0.04 -0.10 0.84 0.09 0.00 0.00 0.00 175.76 176.55 1h95 n ASN 74 N 2.46 -5.66 -4.70 0.00 3.02 -1.24 -3.59 115.26 105.55 1h95 n ASN 74 Ca -0.16 -0.91 -0.38 0.00 -0.03 0.00 0.00 54.58 53.10 1h95 n ASN 74 Cb 0.58 -4.02 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.44 5.17 0.36 2.41 1.01 -0.70 -4.69 120.40 120.52 1h95 s VAL 75 Ca 0.46 0.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.27 1h95 s VAL 75 Cb -0.13 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1h95 s VAL 75 CO 0.82 0.28 0.63 1.07 0.00 0.00 0.00 175.10 177.90 1h95 n THR 76 N 4.00 0.00 -3.17 3.92 5.66 -0.97 -0.89 114.28 122.82 1h95 n THR 76 Ca -0.07 -1.29 -0.34 0.00 -3.05 0.00 0.00 64.05 59.31 1h95 n THR 76 Cb 0.51 1.00 -0.06 0.00 -1.55 0.00 0.00 70.33 70.23 1h95 n THR 76 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1h95 s GLY 77 N -3.03 2.42 0.53 1.09 0.00 -1.26 -0.35 107.32 106.72 1h95 s GLY 77 Ca 0.21 0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.75 1h95 s GLY 77 CO 0.15 0.28 1.20 -4.14 0.00 0.00 0.00 173.10 170.60 1h95 s PRO 78 N -2.58 3.33 0.00 2.90 0.02 -1.26 -4.78 135.00 132.64 1h95 s PRO 78 Ca 0.49 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1h95 s PRO 78 Cb -0.13 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1h95 s PRO 78 CO 0.19 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.35