#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fz3 s GLN 2 N 0.00 2.19 -0.08 6.28 -0.21 -1.26 -4.83 119.66 121.76 2fz3 s GLN 2 Ca 0.00 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.37 2fz3 s GLN 2 Cb 0.00 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.70 2fz3 s GLN 2 CO 0.00 0.50 -0.17 1.03 -2.12 0.00 0.00 175.29 174.53 2fz3 s ARG 3 N -2.38 2.23 0.26 2.91 0.52 0.51 -4.94 118.95 118.06 2fz3 s ARG 3 Ca 0.23 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.55 2fz3 s ARG 3 Cb -0.11 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 2fz3 s ARG 3 CO 0.15 0.09 0.95 -0.08 0.02 0.00 0.00 175.30 176.43 2fz3 s THR 4 N 0.52 4.07 0.30 0.02 -1.32 -1.26 -1.50 115.64 116.47 2fz3 s THR 4 Ca -0.16 2.01 -0.29 0.00 -1.21 0.00 0.00 61.69 62.04 2fz3 s THR 4 Cb -0.17 -4.25 -0.10 0.00 -1.51 0.00 0.00 72.50 66.47 2fz3 s THR 4 CO 0.06 0.42 1.34 -2.16 -2.21 0.00 0.00 174.62 172.07 2fz3 s PRO 5 N -1.36 4.33 0.25 7.08 0.04 -1.26 -4.37 135.00 139.71 2fz3 s PRO 5 Ca 0.43 2.23 -0.27 0.00 0.04 0.00 0.00 61.00 63.42 2fz3 s PRO 5 Cb -0.25 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 2fz3 s PRO 5 CO 0.31 -0.25 0.89 0.15 0.04 0.00 0.00 177.00 178.14 2fz3 s LYS 6 N -1.31 4.69 -0.08 4.56 1.02 0.91 -4.91 119.74 124.62 2fz3 s LYS 6 Ca 0.52 1.34 0.01 0.00 0.02 0.00 0.00 55.97 57.87 2fz3 s LYS 6 Cb -0.40 -3.12 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2fz3 s LYS 6 CO 0.49 0.46 -0.10 0.42 -0.92 0.00 0.00 175.35 175.70 2fz3 s ILE 7 N -1.31 1.06 -0.07 2.17 1.01 -1.26 -1.88 121.20 120.92 2fz3 s ILE 7 Ca 0.42 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2fz3 s ILE 7 Cb -0.23 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.24 2fz3 s ILE 7 CO 0.28 0.35 -0.16 -1.10 0.00 0.00 0.00 174.94 174.31 2fz3 s GLN 8 N 0.96 2.01 -0.13 2.79 -0.21 -0.68 -5.00 119.66 119.39 2fz3 s GLN 8 Ca -0.09 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 54.75 2fz3 s GLN 8 Cb -0.15 -1.63 -0.00 0.00 1.00 0.00 0.00 33.01 32.23 2fz3 s GLN 8 CO 0.00 0.10 -0.17 0.08 -2.12 0.00 0.00 175.29 173.18 2fz3 s VAL 9 N 0.49 2.60 0.06 1.09 1.01 -1.26 -0.68 120.40 123.71 2fz3 s VAL 9 Ca -0.14 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 2fz3 s VAL 9 Cb -0.16 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.24 2fz3 s VAL 9 CO 0.05 0.53 0.91 -0.72 0.00 0.00 0.00 175.10 175.87 2fz3 s TYR 10 N 0.58 -0.26 0.14 5.22 1.13 -0.73 -4.54 117.35 118.89 2fz3 s TYR 10 Ca -0.10 0.06 0.01 0.00 -1.41 0.00 0.00 57.07 55.62 2fz3 s TYR 10 Cb -0.16 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 2fz3 s TYR 10 CO 0.03 -0.66 0.30 -1.54 -2.51 0.00 0.00 175.55 171.17 2fz3 s SER 11 N -2.68 6.37 0.09 -0.18 1.04 -1.26 0.02 113.70 117.09 2fz3 s SER 11 Ca 0.08 0.28 -0.21 0.00 0.48 0.00 0.00 55.95 56.58 2fz3 s SER 11 Cb -0.01 -1.96 -0.11 0.00 0.10 0.00 0.00 66.02 64.04 2fz3 s SER 11 CO -0.05 0.06 1.64 -0.09 0.98 0.00 0.00 173.24 175.78 2fz3 h ARG 12 N 2.41 0.21 -6.29 4.02 2.43 -1.60 -3.45 114.38 112.11 2fz3 h ARG 12 Ca -0.47 -0.04 -0.58 0.00 -0.81 0.00 0.00 59.98 58.08 2fz3 h ARG 12 Cb 1.18 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.60 2fz3 h ARG 12 CO 0.71 0.29 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.80 2fz3 s HIS 13 N -5.63 2.84 -0.05 2.20 3.76 -1.26 -5.04 115.29 112.11 2fz3 s HIS 13 Ca -0.14 -0.15 -0.39 0.00 -0.15 0.00 0.00 55.06 54.24 2fz3 s HIS 13 Cb 0.07 -1.34 -0.17 0.00 1.11 0.00 0.00 32.58 32.25 2fz3 s HIS 13 CO 0.69 0.54 1.41 -2.30 -0.85 0.00 0.00 174.74 174.24 2fz3 n PRO 14 N -0.41 0.91 -2.11 8.40 -0.02 -1.26 -4.85 135.00 135.65 2fz3 n PRO 14 Ca -0.09 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2fz3 n PRO 14 Cb 0.56 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2fz3 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fz3 s ALA 15 N 1.31 3.63 -0.05 3.55 0.00 -1.26 -5.01 121.76 123.92 2fz3 s ALA 15 Ca 0.90 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 2fz3 s ALA 15 Cb -1.06 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 18.50 2fz3 s ALA 15 CO 0.55 -0.77 0.01 -1.21 0.00 0.00 0.00 175.76 174.34 2fz3 s GLU 16 N 1.62 0.41 0.03 0.00 2.02 -1.26 -5.12 118.70 116.40 2fz3 s GLU 16 Ca 0.67 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 2fz3 s GLU 16 Cb -0.37 -0.75 -0.08 0.00 0.10 0.00 0.00 34.13 33.03 2fz3 s GLU 16 CO 0.30 -0.25 1.91 -0.80 0.02 0.00 0.00 175.26 176.44 2fz3 s ASN 17 N 1.68 6.48 0.00 -0.19 0.01 -1.26 -1.50 114.94 120.16 2fz3 s ASN 17 Ca -0.00 2.61 0.00 0.00 -0.71 0.00 0.00 52.86 54.76 2fz3 s ASN 17 Cb -0.13 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.00 2fz3 s ASN 17 CO -0.03 -1.03 0.00 0.61 -1.51 0.00 0.00 177.10 175.14 2fz3 n GLY 18 N 4.46 0.75 3.51 0.66 0.00 -0.09 -4.99 105.19 109.50 2fz3 n GLY 18 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2fz3 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fz3 s LYS 19 N -0.68 3.74 0.59 1.61 2.20 -0.56 -4.99 119.74 121.64 2fz3 s LYS 19 Ca 0.00 -0.46 -0.19 0.00 -0.36 0.00 0.00 55.97 54.96 2fz3 s LYS 19 Cb 0.00 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2fz3 s LYS 19 CO 0.00 0.07 1.12 0.45 -0.36 0.00 0.00 175.35 176.63 2fz3 n SER 20 N 4.10 1.48 -1.31 1.43 2.88 -1.26 -4.14 113.62 116.79 2fz3 n SER 20 Ca -0.17 0.86 -0.02 0.00 -1.33 0.00 0.00 58.87 58.22 2fz3 n SER 20 Cb 0.52 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2fz3 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2fz3 n ASN 21 N -0.96 -0.38 -4.14 -3.46 2.85 0.56 -4.97 115.26 104.76 2fz3 n ASN 21 Ca 0.13 -1.28 -0.27 0.00 -0.11 0.00 0.00 54.58 53.05 2fz3 n ASN 21 Cb 0.46 0.63 -0.16 0.00 1.24 0.00 0.00 39.78 41.95 2fz3 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2fz3 s PHE 22 N -7.48 1.81 -0.22 1.20 0.40 -1.26 -1.47 117.98 110.95 2fz3 s PHE 22 Ca 0.03 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.67 2fz3 s PHE 22 Cb -0.01 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 2fz3 s PHE 22 CO 0.02 -0.20 0.29 -1.17 0.70 0.00 0.00 175.22 174.86 2fz3 s LEU 23 N 0.11 4.13 -0.05 -0.37 2.96 0.85 -1.36 118.68 124.95 2fz3 s LEU 23 Ca -0.06 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 2fz3 s LEU 23 Cb -0.13 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2fz3 s LEU 23 CO 0.03 -0.03 -0.10 0.20 -1.32 0.00 0.00 176.35 175.13 2fz3 s ASN 24 N 1.11 4.39 -0.18 3.68 0.01 0.10 -1.92 114.94 122.13 2fz3 s ASN 24 Ca 0.14 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2fz3 s ASN 24 Cb -0.14 -1.02 0.04 0.00 0.41 0.00 0.00 41.25 40.54 2fz3 s ASN 24 CO 0.07 0.34 -0.09 0.00 -1.51 0.00 0.00 177.10 175.91 2fz3 s TYR 26 N 1.47 3.21 -0.14 0.00 5.04 0.14 -0.75 117.35 126.32 2fz3 s TYR 26 Ca -0.00 -0.87 -0.05 0.00 -2.44 0.00 0.00 57.07 53.72 2fz3 s TYR 26 Cb -0.16 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.76 2fz3 s TYR 26 CO -0.08 -0.57 0.03 0.14 -1.34 0.00 0.00 175.55 173.72 2fz3 s VAL 27 N 1.55 4.50 0.21 3.14 -7.23 -0.58 -1.69 120.40 120.30 2fz3 s VAL 27 Ca 0.03 -0.16 -0.14 0.00 -1.81 0.00 0.00 61.98 59.90 2fz3 s VAL 27 Cb -0.18 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.81 2fz3 s VAL 27 CO 0.05 0.53 0.47 -0.94 -0.31 0.00 0.00 175.10 174.90 2fz3 s SER 28 N -0.20 -0.14 -0.55 4.85 1.04 -0.79 -0.61 113.70 117.30 2fz3 s SER 28 Ca 0.06 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2fz3 s SER 28 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2fz3 s SER 28 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2fz3 n GLY 29 N -0.33 0.77 3.75 7.32 0.00 -0.71 -0.06 105.19 115.92 2fz3 n GLY 29 Ca -0.07 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 2fz3 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fz3 s PHE 30 N -2.09 3.03 -0.28 1.61 -0.12 -1.21 -4.39 117.98 114.53 2fz3 s PHE 30 Ca 0.00 -0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 56.63 2fz3 s PHE 30 Cb 0.00 -1.46 0.08 0.00 -0.63 0.00 0.00 43.02 41.02 2fz3 s PHE 30 CO 0.00 0.52 0.73 -1.58 -0.05 0.00 0.00 175.22 174.84 2fz3 s HIS 31 N -1.75 -0.93 0.79 3.49 2.46 -0.56 -1.00 115.29 117.78 2fz3 s HIS 31 Ca 0.30 1.97 -0.13 0.00 0.47 0.00 0.00 55.06 57.67 2fz3 s HIS 31 Cb -0.10 0.50 0.20 0.00 -0.13 0.00 0.00 32.58 33.06 2fz3 s HIS 31 CO 0.22 -0.46 0.63 -0.35 -2.47 0.00 0.00 174.74 172.31 2fz3 n PRO 32 N 3.74 -2.69 0.17 2.88 -0.04 -1.26 -0.36 135.00 137.43 2fz3 n PRO 32 Ca -0.18 -1.02 0.08 0.00 -0.04 0.00 0.00 63.50 62.34 2fz3 n PRO 32 Cb 0.58 -1.04 0.09 0.00 -0.04 0.00 0.00 33.50 33.09 2fz3 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2fz3 h SER 33 N -2.30 0.00 -2.55 3.54 4.64 -1.99 -3.45 113.55 111.43 2fz3 h SER 33 Ca -0.25 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.54 2fz3 h SER 33 Cb 0.78 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.89 2fz3 h SER 33 CO 0.16 0.18 1.11 -1.81 -0.87 0.00 0.00 176.83 175.59 2fz3 s ASP 34 N -6.13 6.54 -0.11 4.97 1.11 -1.26 -4.98 116.67 116.81 2fz3 s ASP 34 Ca 0.04 2.54 -0.15 0.00 0.18 0.00 0.00 52.55 55.16 2fz3 s ASP 34 Cb 0.07 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.54 2fz3 s ASP 34 CO 0.72 -0.97 0.40 -0.51 1.18 0.00 0.00 175.17 175.99 2fz3 s ILE 35 N 3.46 0.01 -0.18 0.77 2.07 -1.26 -4.55 121.20 121.52 2fz3 s ILE 35 Ca 0.79 -0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.89 2fz3 s ILE 35 Cb -0.40 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 2fz3 s ILE 35 CO 0.35 -0.06 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.54 2fz3 s GLU 36 N -0.24 3.42 -0.07 3.50 2.12 0.25 -4.99 118.70 122.69 2fz3 s GLU 36 Ca -0.04 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.67 2fz3 s GLU 36 Cb -0.03 -2.87 0.02 0.00 0.26 0.00 0.00 34.13 31.51 2fz3 s GLU 36 CO 0.02 -0.00 -0.09 0.08 -0.54 0.00 0.00 175.26 174.73 2fz3 s VAL 37 N 0.95 0.91 -0.02 3.70 1.01 -1.26 -0.56 120.40 125.14 2fz3 s VAL 37 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2fz3 s VAL 37 Cb -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2fz3 s VAL 37 CO 0.00 0.32 -0.15 -1.81 0.00 0.00 0.00 175.10 173.46 2fz3 s ASP 38 N 0.96 1.78 -0.11 3.32 1.01 0.03 -4.98 116.67 118.67 2fz3 s ASP 38 Ca -0.10 -0.28 -0.13 0.00 0.71 0.00 0.00 52.55 52.76 2fz3 s ASP 38 Cb -0.15 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.50 2fz3 s ASP 38 CO 0.00 0.18 0.29 -0.76 0.21 0.00 0.00 175.17 175.09 2fz3 s LEU 39 N -0.29 4.33 -0.06 1.23 1.43 -1.26 0.27 118.68 124.33 2fz3 s LEU 39 Ca 0.05 0.62 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 2fz3 s LEU 39 Cb -0.06 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 2fz3 s LEU 39 CO -0.00 0.22 -0.21 -0.76 0.23 0.00 0.00 176.35 175.83 2fz3 s LEU 40 N -0.25 2.34 -0.24 1.79 1.43 0.27 -0.40 118.68 123.62 2fz3 s LEU 40 Ca 0.18 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2fz3 s LEU 40 Cb -0.14 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2fz3 s LEU 40 CO 0.06 0.26 0.01 -0.75 0.23 0.00 0.00 176.35 176.17 2fz3 s LYS 41 N -0.26 3.46 -1.66 1.70 2.20 0.75 -2.14 119.74 123.79 2fz3 s LYS 41 Ca 0.00 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 54.86 2fz3 s LYS 41 Cb -0.13 -3.17 0.13 0.00 -1.51 0.00 0.00 37.83 33.15 2fz3 s LYS 41 CO 0.03 -0.22 0.75 0.09 -0.36 0.00 0.00 175.35 175.64 2fz3 n ASN 42 N 4.85 -3.00 0.00 1.43 3.02 0.73 -1.13 115.26 121.17 2fz3 n ASN 42 Ca -0.17 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 2fz3 n ASN 42 Cb 0.51 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 2fz3 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fz3 n GLY 43 N -1.50 1.71 3.64 7.41 0.00 -1.26 -5.04 105.19 110.15 2fz3 n GLY 43 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2fz3 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fz3 s GLU 44 N -0.54 3.30 0.15 1.61 2.02 -0.28 -5.00 118.70 119.96 2fz3 s GLU 44 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 54.97 54.26 2fz3 s GLU 44 Cb 0.00 -2.89 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 2fz3 s GLU 44 CO 0.00 0.54 1.73 0.50 0.02 0.00 0.00 175.26 178.05 2fz3 s ARG 45 N -0.43 4.15 0.21 1.61 3.52 -1.26 -0.18 118.95 126.58 2fz3 s ARG 45 Ca 0.08 2.53 -0.30 0.00 -0.13 0.00 0.00 55.73 57.91 2fz3 s ARG 45 Cb -0.12 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.82 2fz3 s ARG 45 CO 0.02 -0.76 1.01 0.42 -0.81 0.00 0.00 175.30 175.17 2fz3 s ILE 46 N 2.00 3.99 -0.06 4.11 1.01 0.46 -4.87 121.20 127.85 2fz3 s ILE 46 Ca 0.76 1.87 -0.08 0.00 0.00 0.00 0.00 60.65 63.21 2fz3 s ILE 46 Cb -0.46 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 2fz3 s ILE 46 CO 0.34 0.39 0.34 -0.33 0.00 0.00 0.00 174.94 175.68 2fz3 h GLU 47 N 4.53 -0.26 -1.91 2.79 5.08 -1.94 -3.40 114.58 119.47 2fz3 h GLU 47 Ca -0.45 0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.57 2fz3 h GLU 47 Cb 1.21 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.39 2fz3 h GLU 47 CO 0.69 -0.18 0.17 1.63 -1.00 0.00 0.00 179.01 180.33 2fz3 n LYS 48 N -4.64 2.10 -2.80 2.33 5.02 -1.26 -4.93 118.16 113.98 2fz3 n LYS 48 Ca -0.03 -1.71 -0.41 0.00 -2.02 0.00 0.00 58.31 54.14 2fz3 n LYS 48 Cb 0.11 -1.94 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 2fz3 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2fz3 s VAL 49 N -1.28 4.76 0.34 -0.18 1.01 -1.26 -4.86 120.40 118.94 2fz3 s VAL 49 Ca 0.52 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.50 2fz3 s VAL 49 Cb 0.32 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2fz3 s VAL 49 CO -0.11 0.25 0.23 -1.61 0.00 0.00 0.00 175.10 173.86 2fz3 s GLU 50 N 0.52 2.59 0.04 2.72 2.02 -0.37 -4.94 118.70 121.29 2fz3 s GLU 50 Ca 0.47 -1.39 -0.08 0.00 0.02 0.00 0.00 54.97 53.99 2fz3 s GLU 50 Cb -0.21 -2.36 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 2fz3 s GLU 50 CO 0.27 0.11 0.16 -3.38 0.02 0.00 0.00 175.26 172.43 2fz3 s HIS 51 N -2.35 0.12 0.89 1.61 -3.43 -1.26 -0.69 115.29 110.18 2fz3 s HIS 51 Ca 0.40 -0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 54.16 2fz3 s HIS 51 Cb -0.05 -0.08 0.13 0.00 -1.43 0.00 0.00 32.58 31.16 2fz3 s HIS 51 CO 0.25 -0.41 1.09 -1.54 -2.00 0.00 0.00 174.74 172.13 2fz3 s SER 52 N -2.15 3.50 0.32 7.38 1.04 0.17 -4.99 113.70 118.97 2fz3 s SER 52 Ca -0.04 1.46 -0.27 0.00 0.48 0.00 0.00 55.95 57.58 2fz3 s SER 52 Cb -0.01 -2.15 -0.09 0.00 0.10 0.00 0.00 66.02 63.87 2fz3 s SER 52 CO -0.05 -2.62 1.06 -1.81 0.98 0.00 0.00 173.24 170.80 2fz3 s ASP 53 N -3.45 7.14 0.08 7.02 1.01 -1.26 -4.76 116.67 122.45 2fz3 s ASP 53 Ca 0.63 2.13 -0.32 0.00 0.71 0.00 0.00 52.55 55.70 2fz3 s ASP 53 Cb -0.18 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.03 2fz3 s ASP 53 CO 0.57 -0.22 1.82 -0.11 0.21 0.00 0.00 175.17 177.43 2fz3 n LEU 54 N 0.76 3.77 -4.25 1.23 7.94 -1.26 -4.93 117.00 120.27 2fz3 n LEU 54 Ca 0.01 0.99 -0.17 0.00 -1.11 0.00 0.00 56.01 55.73 2fz3 n LEU 54 Cb 0.47 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.85 2fz3 n LEU 54 CO 0.50 0.05 -0.11 -0.55 -1.11 0.00 0.00 177.39 176.17 2fz3 s SER 55 N 2.88 1.30 0.09 1.96 0.15 -1.24 -5.07 113.70 113.77 2fz3 s SER 55 Ca 0.84 -1.66 -0.05 0.00 0.70 0.00 0.00 55.95 55.79 2fz3 s SER 55 Cb -0.56 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2fz3 s SER 55 CO 0.41 -1.04 0.10 0.72 1.20 0.00 0.00 173.24 174.63 2fz3 s PHE 56 N -3.56 0.40 0.72 3.44 -0.71 -1.26 -1.89 117.98 115.12 2fz3 s PHE 56 Ca 0.40 -0.86 -0.02 0.00 -1.04 0.00 0.00 56.93 55.40 2fz3 s PHE 56 Cb 0.03 -0.23 0.12 0.00 -1.21 0.00 0.00 43.02 41.72 2fz3 s PHE 56 CO 0.24 -0.50 1.00 -1.12 -1.34 0.00 0.00 175.22 173.50 2fz3 s SER 57 N -2.92 4.39 0.53 1.98 0.01 0.27 -4.94 113.70 113.02 2fz3 s SER 57 Ca 0.09 -0.21 0.20 0.00 1.31 0.00 0.00 55.95 57.34 2fz3 s SER 57 Cb 0.06 -0.21 1.37 0.00 0.21 0.00 0.00 66.02 67.44 2fz3 s SER 57 CO -0.08 -1.83 2.11 0.11 0.41 0.00 0.00 173.24 173.96 2fz3 h LYS 58 N -0.55 0.00 -0.17 12.44 1.57 -2.03 0.83 116.57 128.66 2fz3 h LYS 58 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2fz3 h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2fz3 h LYS 58 CO 0.43 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.91 2fz3 n ASP 59 N -4.40 1.05 0.00 0.86 5.68 -1.26 -4.91 116.55 113.57 2fz3 n ASP 59 Ca 0.01 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2fz3 n ASP 59 Cb 0.25 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2fz3 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2fz3 n TRP 60 N 0.02 0.00 -2.57 2.11 7.02 0.29 -5.02 117.44 119.28 2fz3 n TRP 60 Ca 0.10 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 2fz3 n TRP 60 Cb 0.19 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.03 2fz3 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2fz3 s SER 61 N -3.36 6.94 0.48 -0.99 1.04 -1.26 -4.70 113.70 111.85 2fz3 s SER 61 Ca 0.00 2.05 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 2fz3 s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2fz3 s SER 61 CO 0.00 -0.37 0.84 -0.36 0.98 0.00 0.00 173.24 174.33 2fz3 s PHE 62 N -1.57 3.53 0.00 5.02 0.08 -0.17 -0.57 117.98 124.31 2fz3 s PHE 62 Ca 0.54 1.05 -0.04 0.00 0.12 0.00 0.00 56.93 58.61 2fz3 s PHE 62 Cb -0.23 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 2fz3 s PHE 62 CO 0.29 -0.29 0.06 1.52 -0.10 0.00 0.00 175.22 176.70 2fz3 s TYR 63 N -2.66 0.11 -0.07 0.36 -0.85 -0.79 -1.74 117.35 111.71 2fz3 s TYR 63 Ca 0.51 -0.23 -0.08 0.00 -0.52 0.00 0.00 57.07 56.75 2fz3 s TYR 63 Cb -0.10 -0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.16 2fz3 s TYR 63 CO 0.40 -0.20 0.22 -0.51 -1.52 0.00 0.00 175.55 173.93 2fz3 s LEU 64 N -1.16 1.17 -0.21 -3.49 1.43 0.22 -3.73 118.68 112.91 2fz3 s LEU 64 Ca -0.13 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2fz3 s LEU 64 Cb -0.07 0.80 -0.03 0.00 0.03 0.00 0.00 46.19 46.91 2fz3 s LEU 64 CO 0.00 -0.14 0.05 -0.22 0.23 0.00 0.00 176.35 176.27 2fz3 s LEU 65 N -0.17 3.55 -0.10 1.79 2.96 -1.26 -1.53 118.68 123.92 2fz3 s LEU 65 Ca -0.03 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2fz3 s LEU 65 Cb -0.03 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2fz3 s LEU 65 CO 0.01 0.08 0.01 -0.31 -1.32 0.00 0.00 176.35 174.81 2fz3 s TYR 66 N 0.94 3.18 -0.03 5.38 1.51 0.07 -0.66 117.35 127.75 2fz3 s TYR 66 Ca 0.03 0.17 -0.21 0.00 -1.01 0.00 0.00 57.07 56.05 2fz3 s TYR 66 Cb -0.14 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2fz3 s TYR 66 CO 0.03 0.43 0.46 1.52 -1.11 0.00 0.00 175.55 176.88 2fz3 s TYR 67 N -0.74 -0.38 0.01 2.71 1.13 0.13 -0.20 117.35 120.01 2fz3 s TYR 67 Ca 0.12 0.62 -0.15 0.00 -1.41 0.00 0.00 57.07 56.24 2fz3 s TYR 67 Cb -0.12 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 40.99 2fz3 s TYR 67 CO 0.02 -0.48 0.33 -0.08 -2.51 0.00 0.00 175.55 172.83 2fz3 s THR 68 N -1.28 0.07 0.30 -3.49 -1.32 -0.81 -1.24 115.64 107.87 2fz3 s THR 68 Ca -0.13 -0.54 -0.29 0.00 -1.21 0.00 0.00 61.69 59.53 2fz3 s THR 68 Cb -0.03 -0.78 -0.10 0.00 -1.51 0.00 0.00 72.50 70.08 2fz3 s THR 68 CO 0.07 -0.30 1.12 -1.83 -2.21 0.00 0.00 174.62 171.47 2fz3 s GLU 69 N -1.90 4.54 0.07 7.08 -1.05 -1.26 -0.11 118.70 126.08 2fz3 s GLU 69 Ca -0.09 1.84 -0.15 0.00 -0.15 0.00 0.00 54.97 56.42 2fz3 s GLU 69 Cb -0.03 -3.11 0.02 0.00 -0.44 0.00 0.00 34.13 30.58 2fz3 s GLU 69 CO 0.01 0.11 0.34 -0.59 0.95 0.00 0.00 175.26 176.08 2fz3 s PHE 70 N -1.21 -0.14 -0.31 4.83 -0.71 -0.54 -4.83 117.98 115.07 2fz3 s PHE 70 Ca 0.46 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.29 2fz3 s PHE 70 Cb -0.32 0.15 0.07 0.00 -1.21 0.00 0.00 43.02 41.71 2fz3 s PHE 70 CO 0.41 -0.58 -0.00 0.99 -1.34 0.00 0.00 175.22 174.70 2fz3 s THR 71 N -3.06 2.62 0.44 -4.49 2.01 -1.26 -0.32 115.64 111.58 2fz3 s THR 71 Ca -0.01 -1.72 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 2fz3 s THR 71 Cb 0.01 -2.63 -0.08 0.00 0.01 0.00 0.00 72.50 69.81 2fz3 s THR 71 CO -0.07 -0.24 1.28 -2.84 -0.69 0.00 0.00 174.62 172.06 2fz3 s PRO 72 N 1.13 3.78 0.39 4.92 0.02 -1.26 -4.81 135.00 139.17 2fz3 s PRO 72 Ca -0.02 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.11 2fz3 s PRO 72 Cb -0.20 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.72 2fz3 s PRO 72 CO -0.04 -0.62 0.12 0.25 -0.33 0.00 0.00 177.00 176.38 2fz3 n THR 73 N -0.21 0.00 -0.15 0.99 -2.24 -1.26 -0.91 114.28 110.50 2fz3 n THR 73 Ca 0.06 -2.22 -0.10 0.00 -2.27 0.00 0.00 64.05 59.51 2fz3 n THR 73 Cb 0.45 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.43 2fz3 n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2fz3 h GLU 74 N 0.00 0.80 0.00 -0.78 4.81 -1.96 -3.36 114.58 114.08 2fz3 h GLU 74 Ca -0.31 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2fz3 h GLU 74 Cb 1.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2fz3 h GLU 74 CO 0.49 0.88 -1.23 1.63 -0.73 0.00 0.00 179.01 180.05 2fz3 n LYS 75 N -4.36 1.28 -2.15 1.92 5.02 -1.26 -4.96 118.16 113.65 2fz3 n LYS 75 Ca -0.00 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 2fz3 n LYS 75 Cb 0.33 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 2fz3 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fz3 s ASP 76 N -3.04 6.79 -0.17 4.39 1.01 -1.26 -5.01 116.67 119.39 2fz3 s ASP 76 Ca -0.01 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.41 2fz3 s ASP 76 Cb 0.09 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 2fz3 s ASP 76 CO 0.55 -0.74 0.07 -1.83 0.21 0.00 0.00 175.17 173.42 2fz3 s GLU 77 N 2.23 3.84 0.18 8.23 -1.05 -1.26 -4.72 118.70 126.15 2fz3 s GLU 77 Ca 0.66 -0.31 0.10 0.00 -0.15 0.00 0.00 54.97 55.27 2fz3 s GLU 77 Cb -0.34 -3.19 -0.04 0.00 -0.44 0.00 0.00 34.13 30.12 2fz3 s GLU 77 CO 0.28 0.38 -0.16 0.71 0.95 0.00 0.00 175.26 177.42 2fz3 s TYR 78 N 0.08 2.48 0.20 4.83 2.02 -1.26 -0.19 117.35 125.51 2fz3 s TYR 78 Ca 0.06 -0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 2fz3 s TYR 78 Cb -0.12 -1.23 0.05 0.00 -0.40 0.00 0.00 41.96 40.26 2fz3 s TYR 78 CO 0.00 0.50 0.64 0.00 -1.57 0.00 0.00 175.55 175.12 2fz3 s ALA 79 N -1.64 -1.44 -0.12 3.71 0.00 -0.91 -0.29 121.76 121.07 2fz3 s ALA 79 Ca 0.22 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2fz3 s ALA 79 Cb -0.09 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2fz3 s ALA 79 CO 0.12 -0.87 -0.21 0.00 0.00 0.00 0.00 175.76 174.81 2fz3 s ARG 81 N 0.56 3.79 -0.11 0.00 3.52 0.14 -1.31 118.95 125.54 2fz3 s ARG 81 Ca -0.12 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2fz3 s ARG 81 Cb -0.17 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2fz3 s ARG 81 CO 0.04 -0.11 -0.20 0.08 -0.81 0.00 0.00 175.30 174.30 2fz3 s VAL 82 N 1.44 1.83 -0.06 7.11 1.01 0.13 -0.79 120.40 131.06 2fz3 s VAL 82 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2fz3 s VAL 82 Cb -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2fz3 s VAL 82 CO 0.05 0.51 -0.25 0.21 0.00 0.00 0.00 175.10 175.62 2fz3 s ASN 83 N 0.72 3.02 0.08 3.32 3.04 0.27 -0.37 114.94 125.02 2fz3 s ASN 83 Ca -0.11 -0.51 -0.09 0.00 0.04 0.00 0.00 52.86 52.20 2fz3 s ASN 83 Cb -0.16 -0.88 -0.00 0.00 -1.54 0.00 0.00 41.25 38.67 2fz3 s ASN 83 CO 0.02 0.23 0.19 -2.28 -3.04 0.00 0.00 177.10 172.22 2fz3 s HIS 84 N -0.11 0.13 0.55 0.43 5.65 -1.26 -0.58 115.29 120.10 2fz3 s HIS 84 Ca -0.05 -0.51 0.22 0.00 0.25 0.00 0.00 55.06 54.97 2fz3 s HIS 84 Cb -0.14 -0.06 1.49 0.00 -1.18 0.00 0.00 32.58 32.70 2fz3 s HIS 84 CO 0.04 -0.51 2.17 -0.24 -0.65 0.00 0.00 174.74 175.55 2fz3 h VAL 85 N 2.93 0.78 0.00 0.89 3.04 -1.95 -0.41 116.25 121.52 2fz3 h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2fz3 h VAL 85 Cb 1.20 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2fz3 h VAL 85 CO 0.54 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.45 2fz3 n THR 86 N -4.24 0.53 -4.29 3.17 -2.24 -1.26 -4.74 114.28 101.22 2fz3 n THR 86 Ca -0.02 0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 2fz3 n THR 86 Cb 0.15 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.49 2fz3 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2fz3 s LEU 87 N -3.00 3.30 0.44 3.22 1.43 -0.17 -4.99 118.68 118.92 2fz3 s LEU 87 Ca 0.10 -0.13 0.25 0.00 -1.03 0.00 0.00 54.13 53.32 2fz3 s LEU 87 Cb 0.14 -1.81 0.55 0.00 0.03 0.00 0.00 46.19 45.10 2fz3 s LEU 87 CO 0.39 0.14 1.69 0.77 0.23 0.00 0.00 176.35 179.57 2fz3 h SER 88 N 6.90 0.00 -4.20 2.29 4.64 -1.85 -3.43 113.55 117.90 2fz3 h SER 88 Ca -0.33 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.83 2fz3 h SER 88 Cb 1.19 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.03 2fz3 h SER 88 CO 0.63 0.00 -0.46 -1.58 -0.87 0.00 0.00 176.83 174.55 2fz3 s GLN 89 N -3.28 0.34 0.26 4.77 2.00 -1.26 -5.14 119.66 117.35 2fz3 s GLN 89 Ca 0.06 0.07 -0.29 0.00 -2.00 0.00 0.00 55.36 53.20 2fz3 s GLN 89 Cb 0.06 0.15 -0.14 0.00 0.80 0.00 0.00 33.01 33.88 2fz3 s GLN 89 CO 0.64 -0.06 1.09 -2.30 -0.50 0.00 0.00 175.29 174.16 2fz3 n PRO 90 N 2.45 1.41 -3.69 1.67 -0.02 -1.26 -4.95 135.00 130.60 2fz3 n PRO 90 Ca -0.16 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 2fz3 n PRO 90 Cb 0.58 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 2fz3 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2fz3 s LYS 91 N -1.21 4.17 -0.24 -0.52 2.20 0.50 -4.89 119.74 119.76 2fz3 s LYS 91 Ca 0.62 -0.19 -0.08 0.00 -0.36 0.00 0.00 55.97 55.96 2fz3 s LYS 91 Cb -0.72 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2fz3 s LYS 91 CO 0.57 0.24 0.10 0.42 -0.36 0.00 0.00 175.35 176.33 2fz3 s ILE 92 N 0.52 4.79 -0.21 5.43 -1.09 -1.26 -0.70 121.20 128.69 2fz3 s ILE 92 Ca 0.09 -0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2fz3 s ILE 92 Cb -0.12 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.55 2fz3 s ILE 92 CO 0.00 0.36 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.25 2fz3 s VAL 93 N 1.22 2.58 0.35 2.92 1.01 -0.42 -4.97 120.40 123.08 2fz3 s VAL 93 Ca 0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 2fz3 s VAL 93 Cb -0.14 -2.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 2fz3 s VAL 93 CO 0.04 0.42 0.96 -0.54 0.00 0.00 0.00 175.10 175.99 2fz3 s LYS 94 N 1.34 4.47 -0.14 2.72 1.02 -1.26 -0.50 119.74 127.38 2fz3 s LYS 94 Ca 0.04 1.32 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 2fz3 s LYS 94 Cb -0.14 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2fz3 s LYS 94 CO -0.08 0.17 1.35 -0.46 -0.92 0.00 0.00 175.35 175.40 2fz3 s TRP 95 N -1.72 2.65 -0.23 3.18 -0.00 0.60 -4.87 118.94 118.55 2fz3 s TRP 95 Ca 0.53 0.83 -0.03 0.00 -0.00 0.00 0.00 56.10 57.43 2fz3 s TRP 95 Cb -0.17 -3.60 0.01 0.00 -0.00 0.00 0.00 33.47 29.71 2fz3 s TRP 95 CO 0.22 -2.18 -0.06 0.34 -0.00 0.00 0.00 176.95 175.27 2fz3 s ASP 96 N 2.28 4.17 0.00 5.86 -1.08 -1.26 -4.75 116.67 121.89 2fz3 s ASP 96 Ca 0.59 -0.59 0.13 0.00 -0.52 0.00 0.00 52.55 52.15 2fz3 s ASP 96 Cb -0.24 -1.69 0.56 0.00 -1.46 0.00 0.00 42.92 40.10 2fz3 s ASP 96 CO 0.18 -0.06 1.39 -2.11 0.52 0.00 0.00 175.17 175.09 2fz3 n ARG 97 N 4.74 0.04 -0.33 4.34 1.85 -1.26 -1.13 116.66 124.91 2fz3 n ARG 97 Ca -0.18 0.26 0.09 0.00 -1.00 0.00 0.00 57.85 57.02 2fz3 n ARG 97 Cb 0.49 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.67 2fz3 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2fz3 n ASP 98 N -1.45 3.32 0.00 2.89 8.00 -1.26 -4.88 116.55 123.17 2fz3 n ASP 98 Ca 0.04 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2fz3 n ASP 98 Cb 0.14 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2fz3 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04