#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f56 s VAL 2 N 0.00 5.34 -0.01 0.00 1.01 -1.26 -1.29 120.40 124.19 1f56 s VAL 2 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.22 1f56 s VAL 2 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1f56 s VAL 2 CO 0.00 0.42 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 1f56 s TYR 3 N 0.51 2.01 -0.15 5.22 1.51 -0.41 -4.99 117.35 121.05 1f56 s TYR 3 Ca 0.07 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1f56 s TYR 3 Cb -0.12 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1f56 s TYR 3 CO -0.00 -0.01 0.09 -0.80 -1.11 0.00 0.00 175.55 173.71 1f56 s ASN 4 N -0.63 5.92 -0.15 2.29 -0.87 -1.26 -0.39 114.94 119.85 1f56 s ASN 4 Ca 0.09 0.23 -0.01 0.00 -1.57 0.00 0.00 52.86 51.60 1f56 s ASN 4 Cb -0.09 -1.95 -0.01 0.00 -0.02 0.00 0.00 41.25 39.18 1f56 s ASN 4 CO -0.00 0.27 -0.12 -0.63 -2.57 0.00 0.00 177.10 174.05 1f56 s ILE 5 N -0.21 3.07 -0.57 0.60 -1.09 0.54 -4.71 121.20 118.83 1f56 s ILE 5 Ca 0.09 -0.64 -0.27 0.00 -2.23 0.00 0.00 60.65 57.60 1f56 s ILE 5 Cb -0.12 -2.31 0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1f56 s ILE 5 CO 0.01 0.50 1.10 -0.83 -1.23 0.00 0.00 174.94 174.49 1f56 s GLY 6 N 0.65 1.24 -0.55 6.18 0.00 -0.44 -1.25 107.32 113.14 1f56 s GLY 6 Ca -0.06 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 43.49 1f56 s GLY 6 CO 0.03 2.33 0.67 0.86 0.00 0.00 0.00 173.10 176.99 1f56 s TRP 7 N 4.57 3.01 0.06 1.90 -0.00 -0.76 -1.74 118.94 125.98 1f56 s TRP 7 Ca 0.38 -0.76 -0.01 0.00 -0.00 0.00 0.00 56.10 55.71 1f56 s TRP 7 Cb -0.09 -3.80 0.01 0.00 -0.00 0.00 0.00 33.47 29.58 1f56 s TRP 7 CO 0.23 -1.18 0.10 0.45 -0.00 0.00 0.00 176.95 176.55 1f56 n SER 8 N 6.28 -0.28 -0.16 5.86 2.88 -1.26 -4.64 113.62 122.30 1f56 n SER 8 Ca -0.08 -1.27 0.10 0.00 -1.33 0.00 0.00 58.87 56.29 1f56 n SER 8 Cb 0.44 0.49 0.42 0.00 -0.75 0.00 0.00 64.21 64.81 1f56 n SER 8 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1f56 h PHE 9 N 1.15 0.64 -3.66 0.66 0.04 -1.91 -3.29 116.94 110.57 1f56 h PHE 9 Ca -0.05 0.02 -0.67 0.00 2.80 0.00 0.00 57.97 60.07 1f56 h PHE 9 Cb 0.19 -0.21 -0.22 0.00 2.20 0.00 0.00 35.95 37.91 1f56 h PHE 9 CO 0.00 0.30 -0.56 -0.80 -0.60 0.00 0.00 178.31 176.66 1f56 s ASN 10 N -6.13 5.56 -0.17 2.17 0.01 -1.26 -4.23 114.94 110.89 1f56 s ASN 10 Ca -0.09 -0.52 -0.23 0.00 -0.71 0.00 0.00 52.86 51.31 1f56 s ASN 10 Cb 0.20 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.83 1f56 s ASN 10 CO 0.77 -0.19 0.73 -0.69 -1.51 0.00 0.00 177.10 176.21 1f56 s VAL 11 N 1.62 4.96 0.00 1.60 1.01 -1.24 -4.80 120.40 123.55 1f56 s VAL 11 Ca 0.05 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.47 1f56 s VAL 11 Cb -0.17 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1f56 s VAL 11 CO 0.06 0.09 -0.01 0.20 0.00 0.00 0.00 175.10 175.44 1f56 s ASN 12 N 1.12 5.01 0.00 3.32 0.01 -0.71 -4.72 114.94 118.97 1f56 s ASN 12 Ca 0.34 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 1f56 s ASN 12 Cb -0.16 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.22 1f56 s ASN 12 CO 0.12 0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.60 1f56 n GLY 13 N 1.39 0.63 0.10 0.66 0.00 -1.26 -1.33 105.19 105.38 1f56 n GLY 13 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1f56 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f56 n ALA 14 N 0.42 1.38 -1.10 4.61 0.00 -1.26 -4.85 120.51 119.71 1f56 n ALA 14 Ca 0.00 -0.92 -0.32 0.00 0.00 0.00 0.00 53.44 52.21 1f56 n ALA 14 Cb 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 19.45 18.99 1f56 n ALA 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f56 s ARG 15 N -2.55 1.86 -1.43 0.00 0.52 -1.26 -4.12 118.95 111.97 1f56 s ARG 15 Ca -0.12 1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 56.49 1f56 s ARG 15 Cb 0.07 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.71 1f56 s ARG 15 CO 0.79 -1.98 0.34 0.41 0.02 0.00 0.00 175.30 174.88 1f56 n GLY 16 N -0.40 -0.23 3.04 -3.53 0.00 -1.26 -4.98 105.19 97.83 1f56 n GLY 16 Ca 0.11 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1f56 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f56 s LYS 17 N -6.73 0.50 -0.47 1.61 1.02 -1.26 -5.11 119.74 109.31 1f56 s LYS 17 Ca 0.02 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 1f56 s LYS 17 Cb -0.01 -0.27 0.10 0.00 -0.52 0.00 0.00 37.83 37.14 1f56 s LYS 17 CO 0.91 0.05 0.35 0.45 -0.92 0.00 0.00 175.35 176.19 1f56 s SER 18 N -1.42 5.80 0.19 2.83 0.15 -1.26 -5.06 113.70 114.93 1f56 s SER 18 Ca -0.09 -1.71 -0.10 0.00 0.70 0.00 0.00 55.95 54.75 1f56 s SER 18 Cb -0.09 -2.05 -0.07 0.00 -1.71 0.00 0.00 66.02 62.10 1f56 s SER 18 CO 0.00 -0.67 0.52 -0.36 1.20 0.00 0.00 173.24 173.94 1f56 s PHE 19 N 1.45 3.48 0.09 3.44 0.40 -1.26 -5.06 117.98 120.51 1f56 s PHE 19 Ca 0.04 0.88 0.03 0.00 -0.60 0.00 0.00 56.93 57.28 1f56 s PHE 19 Cb -0.26 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 1f56 s PHE 19 CO 0.01 0.34 -0.09 1.03 0.70 0.00 0.00 175.22 177.21 1f56 s ARG 20 N -2.56 0.80 0.51 0.44 1.81 -1.26 -2.34 118.95 116.35 1f56 s ARG 20 Ca 0.44 -1.12 -0.23 0.00 -1.72 0.00 0.00 55.73 53.10 1f56 s ARG 20 Cb -0.12 -0.46 -0.07 0.00 -0.45 0.00 0.00 34.95 33.85 1f56 s ARG 20 CO 0.21 0.07 1.28 0.00 -0.68 0.00 0.00 175.30 176.17 1f56 n ALA 21 N 0.63 1.30 0.00 2.13 0.00 -1.26 -1.62 120.51 121.69 1f56 n ALA 21 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1f56 n ALA 21 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1f56 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f56 n GLY 22 N 0.84 3.32 3.75 0.00 0.00 -0.37 -4.96 105.19 107.78 1f56 n GLY 22 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1f56 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f56 s ASP 23 N -0.77 4.89 -0.19 1.61 1.01 -0.64 -4.58 116.67 117.99 1f56 s ASP 23 Ca 0.00 2.21 -0.01 0.00 0.71 0.00 0.00 52.55 55.46 1f56 s ASP 23 Cb 0.00 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1f56 s ASP 23 CO 0.00 -1.79 -0.13 -0.69 0.21 0.00 0.00 175.17 172.77 1f56 s VAL 24 N -2.01 2.66 -0.03 -1.27 1.01 -0.41 -0.65 120.40 119.69 1f56 s VAL 24 Ca 0.72 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1f56 s VAL 24 Cb -0.26 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1f56 s VAL 24 CO 0.39 0.49 0.39 -0.76 0.00 0.00 0.00 175.10 175.61 1f56 s LEU 25 N 1.32 4.44 -0.29 3.92 1.43 -0.46 -1.28 118.68 127.75 1f56 s LEU 25 Ca 0.04 0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1f56 s LEU 25 Cb -0.14 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.58 1f56 s LEU 25 CO -0.08 0.28 -0.01 -0.69 0.23 0.00 0.00 176.35 176.09 1f56 s VAL 26 N -0.80 2.96 -0.10 -1.59 1.01 0.47 -0.70 120.40 121.65 1f56 s VAL 26 Ca 0.23 -1.34 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 1f56 s VAL 26 Cb -0.16 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1f56 s VAL 26 CO 0.12 -0.07 0.68 -0.36 0.00 0.00 0.00 175.10 175.47 1f56 s PHE 27 N 1.26 3.53 -0.14 5.22 0.40 -0.16 -0.34 117.98 127.75 1f56 s PHE 27 Ca -0.05 1.17 0.02 0.00 -0.60 0.00 0.00 56.93 57.47 1f56 s PHE 27 Cb -0.19 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.54 1f56 s PHE 27 CO -0.02 0.03 -0.19 0.15 0.70 0.00 0.00 175.22 175.89 1f56 s LYS 28 N 1.05 3.11 0.24 0.44 1.02 -0.38 -2.04 119.74 123.17 1f56 s LYS 28 Ca 0.35 -0.81 -0.18 0.00 0.02 0.00 0.00 55.97 55.35 1f56 s LYS 28 Cb -0.17 -2.51 0.07 0.00 -0.52 0.00 0.00 37.83 34.70 1f56 s LYS 28 CO 0.16 0.02 0.88 2.48 -0.92 0.00 0.00 175.35 177.97 1f56 n TYR 29 N 4.02 -1.65 -3.13 3.18 4.11 -0.64 -1.82 117.16 121.23 1f56 n TYR 29 Ca -0.20 -1.38 -0.40 0.00 -0.00 0.00 0.00 57.90 55.93 1f56 n TYR 29 Cb 0.52 0.68 -0.06 0.00 -0.00 0.00 0.00 39.34 40.47 1f56 n TYR 29 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1f56 s ILE 30 N -2.12 5.01 0.17 -3.48 1.01 -1.26 -4.49 121.20 116.05 1f56 s ILE 30 Ca 0.19 1.14 -0.33 0.00 0.00 0.00 0.00 60.65 61.65 1f56 s ILE 30 Cb -0.03 -3.93 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 1f56 s ILE 30 CO 0.07 0.08 1.16 1.17 0.00 0.00 0.00 174.94 177.42 1f56 n LYS 31 N 5.29 1.15 0.00 2.79 4.81 -1.26 -1.13 118.16 129.81 1f56 n LYS 31 Ca -0.01 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1f56 n LYS 31 Cb 0.49 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1f56 n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f56 n GLY 32 N 2.00 2.73 0.09 3.14 0.00 -1.26 -4.86 105.19 107.03 1f56 n GLY 32 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1f56 n GLY 32 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f56 n GLN 33 N -2.00 0.62 -3.97 1.61 1.13 -0.28 -5.00 117.38 109.49 1f56 n GLN 33 Ca 0.00 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 1f56 n GLN 33 Cb 0.00 -1.78 -0.01 0.00 0.11 0.00 0.00 30.24 28.56 1f56 n GLN 33 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1f56 s HIS 34 N -3.16 0.65 0.24 1.08 3.76 -1.26 -5.03 115.29 111.57 1f56 s HIS 34 Ca -0.03 -1.07 -0.10 0.00 -0.15 0.00 0.00 55.06 53.71 1f56 s HIS 34 Cb 0.09 0.31 -0.01 0.00 1.11 0.00 0.00 32.58 34.09 1f56 s HIS 34 CO 0.81 -1.32 0.40 0.54 -0.85 0.00 0.00 174.74 174.32 1f56 s ASN 35 N -3.16 -0.04 -0.14 1.40 2.20 -1.26 -4.88 114.94 109.05 1f56 s ASN 35 Ca 0.24 -1.03 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 1f56 s ASN 35 Cb -0.02 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.79 1f56 s ASN 35 CO 0.16 -1.07 -0.15 -0.69 -2.94 0.00 0.00 177.10 172.40 1f56 s VAL 36 N -4.05 1.64 -0.16 3.54 1.01 0.35 -4.24 120.40 118.49 1f56 s VAL 36 Ca 0.26 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1f56 s VAL 36 Cb 0.01 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1f56 s VAL 36 CO 0.10 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.77 1f56 s VAL 37 N 1.32 2.06 -0.22 2.92 1.01 0.44 -0.33 120.40 127.60 1f56 s VAL 37 Ca 0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1f56 s VAL 37 Cb -0.13 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1f56 s VAL 37 CO -0.08 0.54 1.07 0.00 0.00 0.00 0.00 175.10 176.63 1f56 s ALA 38 N 1.07 3.68 0.20 5.51 0.00 -0.80 -1.64 121.76 129.79 1f56 s ALA 38 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1f56 s ALA 38 Cb -0.14 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 1f56 s ALA 38 CO -0.08 -1.07 0.02 1.33 0.00 0.00 0.00 175.76 175.96 1f56 n VAL 39 N 5.33 0.00 -3.87 0.00 0.24 -0.76 -4.26 118.33 115.02 1f56 n VAL 39 Ca 0.12 -1.01 -0.25 0.00 -2.04 0.00 0.00 64.34 61.16 1f56 n VAL 39 Cb 0.46 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1f56 n VAL 39 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1f56 s ASN 40 N -2.15 4.68 0.27 -1.34 2.20 -1.26 -4.16 114.94 113.19 1f56 s ASN 40 Ca 0.02 -1.09 -0.00 0.00 -0.94 0.00 0.00 52.86 50.85 1f56 s ASN 40 Cb 0.00 -0.03 0.59 0.00 -2.00 0.00 0.00 41.25 39.81 1f56 s ASN 40 CO 0.02 -0.86 1.71 1.23 -2.94 0.00 0.00 177.10 176.25 1f56 h GLY 41 N 0.98 1.33 0.92 0.45 0.00 -1.98 0.16 103.07 104.92 1f56 h GLY 41 Ca -0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1f56 h GLY 41 CO 0.60 -0.18 0.12 -0.09 0.00 0.00 0.00 176.54 176.99 1f56 h ARG 42 N 0.42 0.38 -0.84 4.80 2.43 -1.95 -1.98 114.38 117.64 1f56 h ARG 42 Ca 0.49 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 1f56 h ARG 42 Cb 0.84 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1f56 h ARG 42 CO -0.48 0.39 0.44 0.78 -1.51 0.00 0.00 179.97 179.60 1f56 h GLY 43 N 0.28 1.26 0.97 2.80 0.00 -1.26 -2.42 103.07 104.70 1f56 h GLY 43 Ca 0.09 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1f56 h GLY 43 CO -0.01 0.56 0.21 -1.82 0.00 0.00 0.00 176.54 175.48 1f56 h TYR 44 N 1.17 0.73 0.00 5.60 3.20 -0.83 0.18 116.97 127.03 1f56 h TYR 44 Ca 0.29 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1f56 h TYR 44 Cb 0.05 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1f56 h TYR 44 CO 0.01 0.60 -0.40 0.00 -1.64 0.00 0.00 178.16 176.73 1f56 h ALA 45 N 1.06 1.16 -0.24 1.82 0.00 -1.11 -3.11 119.26 118.84 1f56 h ALA 45 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1f56 h ALA 45 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f56 h ALA 45 CO -0.02 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 1f56 n SER 46 N -3.80 2.65 -3.73 0.00 3.41 -0.93 -4.99 113.62 106.24 1f56 n SER 46 Ca -0.01 -2.02 -0.23 0.00 -0.26 0.00 0.00 58.87 56.35 1f56 n SER 46 Cb 0.47 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1f56 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f56 s SER 48 N -4.19 0.01 -0.06 0.00 0.15 0.39 -4.95 113.70 105.05 1f56 s SER 48 Ca 0.09 0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.56 1f56 s SER 48 Cb -0.03 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1f56 s SER 48 CO 0.83 -0.04 0.63 0.00 1.20 0.00 0.00 173.24 175.86 1f56 s ALA 49 N 0.35 3.39 0.99 5.45 0.00 -1.26 -3.96 121.76 126.72 1f56 s ALA 49 Ca -0.03 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 1f56 s ALA 49 Cb -0.04 -2.85 0.18 0.00 0.00 0.00 0.00 23.12 20.41 1f56 s ALA 49 CO -0.01 -0.03 1.09 -1.25 0.00 0.00 0.00 175.76 175.56 1f56 s PRO 50 N 0.56 0.53 0.14 0.00 0.04 -1.26 -4.92 135.00 130.09 1f56 s PRO 50 Ca 0.34 0.57 -0.34 0.00 0.04 0.00 0.00 61.00 61.61 1f56 s PRO 50 Cb -0.17 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1f56 s PRO 50 CO 0.16 -2.67 1.61 -2.13 0.04 0.00 0.00 177.00 174.01 1f56 n ARG 51 N -4.14 2.18 -2.59 4.56 0.63 -1.26 -2.84 116.66 113.20 1f56 n ARG 51 Ca 0.05 0.79 -0.20 0.00 -0.92 0.00 0.00 57.85 57.57 1f56 n ARG 51 Cb 0.57 -2.57 0.01 0.00 0.45 0.00 0.00 32.46 30.92 1f56 n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1f56 n GLY 52 N 3.53 -0.44 3.77 5.14 0.00 -1.26 -4.98 105.19 110.94 1f56 n GLY 52 Ca 0.17 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1f56 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f56 s ALA 53 N -3.04 3.15 0.17 4.61 0.00 -1.13 -4.96 121.76 120.56 1f56 s ALA 53 Ca 0.11 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 1f56 s ALA 53 Cb -0.05 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1f56 s ALA 53 CO 0.13 -0.77 1.34 1.03 0.00 0.00 0.00 175.76 177.49 1f56 s ARG 54 N -2.38 4.36 0.01 0.00 0.52 -1.26 -4.90 118.95 115.30 1f56 s ARG 54 Ca 0.59 2.07 0.07 0.00 -0.52 0.00 0.00 55.73 57.94 1f56 s ARG 54 Cb -0.35 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1f56 s ARG 54 CO 0.44 -0.33 -0.22 0.99 0.02 0.00 0.00 175.30 176.20 1f56 s THR 55 N 0.49 1.77 -0.07 0.02 2.01 -1.26 -1.91 115.64 116.69 1f56 s THR 55 Ca 0.60 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1f56 s THR 55 Cb -0.37 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1f56 s THR 55 CO 0.35 0.37 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.18 1f56 s TYR 56 N -0.66 1.77 0.00 4.92 1.51 0.55 -4.99 117.35 120.46 1f56 s TYR 56 Ca 0.09 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1f56 s TYR 56 Cb -0.09 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 1f56 s TYR 56 CO 0.01 -0.28 0.56 0.43 -1.11 0.00 0.00 175.55 175.16 1f56 n SER 57 N 3.56 0.68 0.18 2.29 7.64 -1.26 -0.49 113.62 126.22 1f56 n SER 57 Ca -0.21 -1.29 0.05 0.00 1.01 0.00 0.00 58.87 58.43 1f56 n SER 57 Cb 0.52 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.06 1f56 n SER 57 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1f56 h SER 58 N 0.00 0.00 0.00 6.43 4.64 -1.96 -3.39 113.55 119.27 1f56 h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f56 h SER 58 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1f56 h SER 58 CO 0.00 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1f56 n GLY 59 N 0.11 0.04 2.45 -0.77 0.00 -1.26 -4.32 105.19 101.45 1f56 n GLY 59 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1f56 n GLY 59 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1f56 n GLN 60 N -2.00 0.95 -3.00 1.61 7.27 -1.21 -1.62 117.38 119.40 1f56 n GLN 60 Ca 0.00 -2.65 -0.41 0.00 0.07 0.00 0.00 57.00 54.01 1f56 n GLN 60 Cb 0.00 -1.37 -0.05 0.00 2.41 0.00 0.00 30.24 31.23 1f56 n GLN 60 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1f56 s ASP 61 N -1.80 6.74 -0.26 1.69 1.01 -0.87 -4.85 116.67 118.34 1f56 s ASP 61 Ca 0.32 0.91 -0.16 0.00 0.71 0.00 0.00 52.55 54.33 1f56 s ASP 61 Cb 0.30 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1f56 s ASP 61 CO -0.08 -0.42 0.41 -0.13 0.21 0.00 0.00 175.17 175.15 1f56 s ARG 62 N 2.53 4.06 -0.12 8.23 0.52 -1.26 -0.98 118.95 131.93 1f56 s ARG 62 Ca 0.31 0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1f56 s ARG 62 Cb -0.16 -3.63 0.02 0.00 0.52 0.00 0.00 34.95 31.70 1f56 s ARG 62 CO 0.09 -0.25 -0.13 0.42 0.02 0.00 0.00 175.30 175.45 1f56 s ILE 63 N 1.98 1.38 0.20 1.52 1.01 0.12 -4.96 121.20 122.46 1f56 s ILE 63 Ca 0.17 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 1f56 s ILE 63 Cb -0.16 -1.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.93 1f56 s ILE 63 CO 0.09 0.42 0.89 -0.54 0.00 0.00 0.00 174.94 175.80 1f56 s LYS 64 N 1.26 4.75 0.33 2.79 1.02 -1.26 -1.36 119.74 127.28 1f56 s LYS 64 Ca -0.01 1.38 -0.17 0.00 0.02 0.00 0.00 55.97 57.18 1f56 s LYS 64 Cb -0.14 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 33.79 1f56 s LYS 64 CO -0.05 0.51 0.79 -0.51 -0.92 0.00 0.00 175.35 175.17 1f56 s LEU 65 N -1.06 4.08 0.26 3.17 1.43 0.17 -4.94 118.68 121.79 1f56 s LEU 65 Ca 0.40 1.41 0.09 0.00 -1.03 0.00 0.00 54.13 55.00 1f56 s LEU 65 Cb -0.25 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1f56 s LEU 65 CO 0.30 -0.21 -0.01 0.42 0.23 0.00 0.00 176.35 177.08 1f56 s THR 66 N -1.96 3.44 0.27 5.49 -4.23 -1.26 -1.23 115.64 116.16 1f56 s THR 66 Ca 0.54 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 1f56 s THR 66 Cb -0.11 -2.83 -0.12 0.00 1.34 0.00 0.00 72.50 70.79 1f56 s THR 66 CO 0.17 -0.35 1.60 -1.14 -0.54 0.00 0.00 174.62 174.36 1f56 n ARG 67 N -0.81 2.65 0.00 3.99 0.63 -1.26 -4.42 116.66 117.44 1f56 n ARG 67 Ca -0.07 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1f56 n ARG 67 Cb 0.59 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1f56 n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1f56 n GLY 68 N 2.44 -1.04 3.72 5.14 0.00 -0.16 -4.92 105.19 110.36 1f56 n GLY 68 Ca 0.10 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1f56 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f56 s GLN 69 N 0.00 4.36 -0.21 1.61 -1.52 -1.26 -1.20 119.66 121.45 1f56 s GLN 69 Ca 0.00 2.00 0.01 0.00 -1.95 0.00 0.00 55.36 55.43 1f56 s GLN 69 Cb 0.00 -3.25 0.04 0.00 -0.22 0.00 0.00 33.01 29.58 1f56 s GLN 69 CO 0.00 -0.35 -0.11 -0.80 -0.25 0.00 0.00 175.29 173.78 1f56 s ASN 70 N 0.88 3.62 -0.09 5.90 0.01 0.22 -4.97 114.94 120.52 1f56 s ASN 70 Ca 0.61 -0.99 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1f56 s ASN 70 Cb -0.35 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 1f56 s ASN 70 CO 0.32 -0.14 -0.00 -0.31 -1.51 0.00 0.00 177.10 175.46 1f56 s TYR 71 N 1.32 3.15 0.01 2.20 2.02 -1.26 0.07 117.35 124.85 1f56 s TYR 71 Ca -0.02 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 1f56 s TYR 71 Cb -0.17 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1f56 s TYR 71 CO -0.08 0.46 -0.02 -0.06 -1.57 0.00 0.00 175.55 174.28 1f56 s PHE 72 N -0.86 0.13 0.13 2.71 0.40 -0.40 -1.82 117.98 118.28 1f56 s PHE 72 Ca 0.13 -0.16 -0.06 0.00 -0.60 0.00 0.00 56.93 56.24 1f56 s PHE 72 Cb -0.11 -0.09 -0.02 0.00 0.51 0.00 0.00 43.02 43.31 1f56 s PHE 72 CO 0.02 -0.05 0.19 0.96 0.70 0.00 0.00 175.22 177.04 1f56 s ILE 73 N -0.43 0.10 -0.19 0.64 -4.36 -0.65 -0.74 121.20 115.57 1f56 s ILE 73 Ca -0.04 -1.50 -0.09 0.00 -0.26 0.00 0.00 60.65 58.76 1f56 s ILE 73 Cb -0.03 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 1f56 s ILE 73 CO -0.00 -0.45 0.11 0.00 0.24 0.00 0.00 174.94 174.83 1f56 n SER 75 N 3.44 1.89 -4.76 0.00 3.41 -1.26 -3.21 113.62 113.13 1f56 n SER 75 Ca -0.16 -1.68 -0.37 0.00 -0.26 0.00 0.00 58.87 56.40 1f56 n SER 75 Cb 0.52 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1f56 n SER 75 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1f56 s PHE 76 N -1.87 2.54 -0.44 7.33 0.40 -1.26 -4.81 117.98 119.87 1f56 s PHE 76 Ca 0.35 1.46 -0.43 0.00 -0.60 0.00 0.00 56.93 57.71 1f56 s PHE 76 Cb 0.20 -3.58 -0.18 0.00 0.51 0.00 0.00 43.02 39.97 1f56 s PHE 76 CO 0.30 -2.22 1.89 -2.30 0.70 0.00 0.00 175.22 173.59 1f56 n PRO 77 N -0.92 0.35 -0.49 0.24 -0.02 -1.26 -0.77 135.00 132.14 1f56 n PRO 77 Ca 0.10 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1f56 n PRO 77 Cb 0.47 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1f56 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f56 n GLY 78 N 5.57 1.50 0.17 -1.23 0.00 -1.26 -4.91 105.19 105.04 1f56 n GLY 78 Ca 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1f56 n GLY 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1f56 h HIS 79 N 0.00 0.61 -0.67 1.61 3.86 -1.22 -0.90 115.15 118.44 1f56 h HIS 79 Ca 0.00 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 1f56 h HIS 79 Cb 0.00 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1f56 h HIS 79 CO 0.00 0.86 0.21 0.00 0.86 0.00 0.00 177.93 179.86 1f56 h GLY 81 N 0.97 0.30 -0.61 0.00 0.00 -1.88 -1.87 103.07 99.99 1f56 h GLY 81 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1f56 h GLY 81 CO -0.01 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1f56 n GLY 82 N -1.21 -0.17 0.00 4.60 0.00 -0.35 -4.87 105.19 103.20 1f56 n GLY 82 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1f56 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f56 n GLY 83 N 0.69 1.51 3.57 -0.02 0.00 -0.70 -4.81 105.19 105.43 1f56 n GLY 83 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1f56 n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f56 s MET 84 N -0.20 3.98 -0.17 1.61 1.00 -0.69 -4.75 119.30 120.07 1f56 s MET 84 Ca 0.00 -2.01 -0.28 0.00 0.00 0.00 0.00 55.69 53.40 1f56 s MET 84 Cb 0.00 -5.48 0.09 0.00 0.00 0.00 0.00 34.83 29.44 1f56 s MET 84 CO 0.00 -2.21 0.81 -1.59 0.00 0.00 0.00 175.02 172.04 1f56 s LYS 85 N 4.01 0.81 -0.12 2.03 -2.85 -1.26 -2.19 119.74 120.17 1f56 s LYS 85 Ca 0.52 0.48 -0.10 0.00 -1.00 0.00 0.00 55.97 55.88 1f56 s LYS 85 Cb 0.03 0.39 0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1f56 s LYS 85 CO 0.06 -0.20 0.31 0.96 0.10 0.00 0.00 175.35 176.59 1f56 s ILE 86 N -0.53 -0.01 -0.32 3.79 -4.36 0.08 -5.00 121.20 114.86 1f56 s ILE 86 Ca -0.04 0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 60.33 1f56 s ILE 86 Cb -0.02 -0.45 0.04 0.00 1.25 0.00 0.00 42.46 43.27 1f56 s ILE 86 CO 0.03 0.01 0.06 0.00 0.24 0.00 0.00 174.94 175.29 1f56 s ALA 87 N 0.47 2.96 -0.14 2.27 0.00 -1.26 -1.27 121.76 124.80 1f56 s ALA 87 Ca -0.03 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.25 1f56 s ALA 87 Cb -0.04 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1f56 s ALA 87 CO -0.02 -1.22 -0.13 0.42 0.00 0.00 0.00 175.76 174.81 1f56 s ILE 88 N 1.38 3.01 -0.40 0.00 1.01 0.11 -4.93 121.20 121.38 1f56 s ILE 88 Ca -0.02 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 1f56 s ILE 88 Cb -0.19 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1f56 s ILE 88 CO 0.01 0.52 0.28 0.21 0.00 0.00 0.00 174.94 175.96 1f56 s ASN 89 N 0.44 6.06 -0.18 3.58 2.47 -1.26 0.70 114.94 126.74 1f56 s ASN 89 Ca -0.10 -0.86 -0.17 0.00 0.42 0.00 0.00 52.86 52.15 1f56 s ASN 89 Cb -0.16 -2.14 -0.04 0.00 -1.45 0.00 0.00 41.25 37.46 1f56 s ASN 89 CO 0.05 -0.42 0.46 0.00 -3.72 0.00 0.00 177.10 173.47 1f56 s ALA 90 N 1.67 3.54 -2.43 1.71 0.00 -0.34 -4.55 121.76 121.37 1f56 s ALA 90 Ca 0.05 -0.41 0.29 0.00 0.00 0.00 0.00 51.96 51.88 1f56 s ALA 90 Cb -0.19 -2.70 1.18 0.00 0.00 0.00 0.00 23.12 21.41 1f56 s ALA 90 CO 0.10 -0.29 1.82 1.63 0.00 0.00 0.00 175.76 179.01