#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbz s GLN 2 N 0.00 4.15 -0.08 6.28 -0.21 -1.26 -4.98 119.66 123.56 1wbz s GLN 2 Ca 0.00 1.17 -0.00 0.00 0.02 0.00 0.00 55.36 56.55 1wbz s GLN 2 Cb 0.00 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 1wbz s GLN 2 CO 0.00 -0.10 -0.04 0.15 -2.12 0.00 0.00 175.29 173.17 1wbz s LYS 3 N -3.18 2.85 -0.17 2.91 1.02 -0.14 -4.96 119.74 118.08 1wbz s LYS 3 Ca 0.63 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.87 1wbz s LYS 3 Cb -0.10 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1wbz s LYS 3 CO 0.14 0.67 0.82 0.99 -0.92 0.00 0.00 175.35 177.05 1wbz s THR 4 N -0.81 4.89 0.38 2.17 2.01 -1.23 -2.87 115.64 120.19 1wbz s THR 4 Ca 0.12 1.61 -0.28 0.00 0.31 0.00 0.00 61.69 63.46 1wbz s THR 4 Cb -0.11 -4.13 -0.11 0.00 0.01 0.00 0.00 72.50 68.16 1wbz s THR 4 CO 0.02 0.04 1.45 -0.81 -0.69 0.00 0.00 174.62 174.62 1wbz n PRO 5 N 5.16 2.53 -3.95 4.92 -0.04 -1.26 -4.51 135.00 137.86 1wbz n PRO 5 Ca 0.04 0.89 -0.33 0.00 -0.04 0.00 0.00 63.50 64.06 1wbz n PRO 5 Cb 0.49 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.29 1wbz n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wbz s GLN 6 N -2.13 3.35 -0.02 0.54 -1.52 0.06 -4.95 119.66 114.99 1wbz s GLN 6 Ca 0.55 -0.37 0.02 0.00 -1.95 0.00 0.00 55.36 53.61 1wbz s GLN 6 Cb -0.48 -3.04 0.01 0.00 -0.22 0.00 0.00 33.01 29.27 1wbz s GLN 6 CO 0.63 0.67 -0.07 0.42 -0.25 0.00 0.00 175.29 176.68 1wbz s ILE 7 N -1.30 0.64 -0.06 1.08 1.01 -1.26 -1.56 121.20 119.74 1wbz s ILE 7 Ca 0.27 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1wbz s ILE 7 Cb -0.12 -0.58 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1wbz s ILE 7 CO 0.18 0.21 -0.13 -1.10 0.00 0.00 0.00 174.94 174.09 1wbz s GLN 8 N 0.25 1.67 -0.12 2.79 -0.21 -0.55 -4.99 119.66 118.51 1wbz s GLN 8 Ca -0.03 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 54.90 1wbz s GLN 8 Cb -0.08 -1.41 -0.00 0.00 1.00 0.00 0.00 33.01 32.52 1wbz s GLN 8 CO 0.00 0.10 -0.19 0.08 -2.12 0.00 0.00 175.29 173.16 1wbz s VAL 9 N 0.43 2.45 -0.19 1.09 1.01 -1.26 -1.00 120.40 122.93 1wbz s VAL 9 Ca -0.11 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 1wbz s VAL 9 Cb -0.14 -1.98 0.15 0.00 0.00 0.00 0.00 36.38 34.41 1wbz s VAL 9 CO 0.03 0.54 1.14 -0.72 0.00 0.00 0.00 175.10 176.10 1wbz s TYR 10 N 0.40 -0.21 0.30 5.22 1.13 -0.63 -4.50 117.35 119.06 1wbz s TYR 10 Ca -0.15 0.30 -0.12 0.00 -1.41 0.00 0.00 57.07 55.70 1wbz s TYR 10 Cb -0.17 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.10 1wbz s TYR 10 CO 0.07 -0.24 0.67 -1.54 -2.51 0.00 0.00 175.55 172.00 1wbz s SER 11 N -1.45 6.66 0.08 -0.18 1.04 -1.26 -0.28 113.70 118.30 1wbz s SER 11 Ca 0.05 1.09 -0.23 0.00 0.48 0.00 0.00 55.95 57.34 1wbz s SER 11 Cb -0.01 -2.30 -0.15 0.00 0.10 0.00 0.00 66.02 63.66 1wbz s SER 11 CO -0.04 -0.19 1.69 -0.09 0.98 0.00 0.00 173.24 175.59 1wbz h ARG 12 N 2.14 0.01 -6.23 4.02 2.43 -0.98 -3.44 114.38 112.34 1wbz h ARG 12 Ca -0.47 -0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.12 1wbz h ARG 12 Cb 1.18 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.62 1wbz h ARG 12 CO 0.66 0.07 -0.67 -1.01 -1.51 0.00 0.00 179.97 177.51 1wbz s HIS 13 N -5.96 2.63 -0.02 2.20 3.76 -1.26 -5.04 115.29 111.60 1wbz s HIS 13 Ca -0.13 -0.24 -0.39 0.00 -0.15 0.00 0.00 55.06 54.15 1wbz s HIS 13 Cb 0.06 -1.17 -0.18 0.00 1.11 0.00 0.00 32.58 32.39 1wbz s HIS 13 CO 0.66 0.63 1.25 -2.30 -0.85 0.00 0.00 174.74 174.13 1wbz n PRO 14 N -0.77 0.52 -2.45 8.40 -0.02 -1.26 -4.86 135.00 134.55 1wbz n PRO 14 Ca -0.07 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 1wbz n PRO 14 Cb 0.59 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 1wbz n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wbz s PRO 15 N 0.61 4.61 -0.08 0.52 0.04 -1.26 -5.03 135.00 134.41 1wbz s PRO 15 Ca 0.90 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1wbz s PRO 15 Cb -1.15 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 30.22 1wbz s PRO 15 CO 0.55 0.15 0.02 -2.00 0.04 0.00 0.00 177.00 175.76 1wbz s GLU 16 N -1.23 0.44 0.12 4.56 2.12 -1.26 -5.11 118.70 118.35 1wbz s GLU 16 Ca 0.46 0.11 -0.34 0.00 0.36 0.00 0.00 54.97 55.56 1wbz s GLU 16 Cb -0.32 -1.01 -0.14 0.00 0.26 0.00 0.00 34.13 32.92 1wbz s GLU 16 CO 0.40 -0.35 1.60 0.09 -0.54 0.00 0.00 175.26 176.46 1wbz n ASN 17 N 5.18 3.04 0.00 -1.70 3.02 -1.26 -1.44 115.26 122.10 1wbz n ASN 17 Ca -0.06 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1wbz n ASN 17 Cb 0.50 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1wbz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbz n GLY 18 N 3.48 3.33 3.67 7.41 0.00 -0.39 -4.99 105.19 117.70 1wbz n GLY 18 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1wbz n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbz s LYS 19 N -0.69 4.10 0.33 1.61 -0.14 -0.52 -4.96 119.74 119.47 1wbz s LYS 19 Ca 0.00 -0.14 -0.26 0.00 -1.36 0.00 0.00 55.97 54.21 1wbz s LYS 19 Cb 0.00 -3.53 -0.14 0.00 -1.68 0.00 0.00 37.83 32.48 1wbz s LYS 19 CO 0.00 0.04 0.85 -2.30 -0.76 0.00 0.00 175.35 173.18 1wbz n PRO 20 N 4.31 1.01 -2.69 -1.68 -0.02 -1.26 -4.24 135.00 130.44 1wbz n PRO 20 Ca -0.13 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 61.64 1wbz n PRO 20 Cb 0.52 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1wbz n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1wbz n ASN 21 N 1.22 -0.98 -4.09 2.55 2.85 0.64 -4.98 115.26 112.47 1wbz n ASN 21 Ca 0.11 -1.95 -0.25 0.00 -0.11 0.00 0.00 54.58 52.39 1wbz n ASN 21 Cb 0.34 1.71 -0.16 0.00 1.24 0.00 0.00 39.78 42.91 1wbz n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wbz s ILE 22 N -2.58 1.25 -0.20 -1.44 1.01 -1.26 -1.74 121.20 116.24 1wbz s ILE 22 Ca 0.12 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 1wbz s ILE 22 Cb -0.02 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1wbz s ILE 22 CO 0.09 0.37 0.10 -0.22 0.00 0.00 0.00 174.94 175.28 1wbz s LEU 23 N 0.18 3.99 -0.11 2.97 2.96 0.06 -0.22 118.68 128.50 1wbz s LEU 23 Ca -0.06 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1wbz s LEU 23 Cb -0.12 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1wbz s LEU 23 CO 0.02 0.15 -0.01 0.20 -1.32 0.00 0.00 176.35 175.40 1wbz s ASN 24 N 0.51 5.13 -0.26 3.68 0.01 0.61 -0.82 114.94 123.81 1wbz s ASN 24 Ca 0.06 0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1wbz s ASN 24 Cb -0.12 -1.55 0.07 0.00 0.41 0.00 0.00 41.25 40.06 1wbz s ASN 24 CO 0.00 0.32 -0.03 0.00 -1.51 0.00 0.00 177.10 175.88 1wbz s TYR 26 N 1.29 3.20 -0.16 0.00 5.04 -0.17 -0.88 117.35 125.67 1wbz s TYR 26 Ca -0.02 -0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 54.13 1wbz s TYR 26 Cb -0.19 -2.41 -0.00 0.00 0.35 0.00 0.00 41.96 39.71 1wbz s TYR 26 CO -0.08 -0.44 -0.14 0.08 -1.34 0.00 0.00 175.55 173.63 1wbz s VAL 27 N 1.65 2.74 0.33 3.14 1.01 -0.24 -1.48 120.40 127.54 1wbz s VAL 27 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1wbz s VAL 27 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wbz s VAL 27 CO 0.08 0.51 0.13 0.42 0.00 0.00 0.00 175.10 176.24 1wbz s THR 28 N 0.82 0.52 -1.78 3.92 -4.23 -0.60 -0.83 115.64 113.46 1wbz s THR 28 Ca -0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1wbz s THR 28 Cb -0.15 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1wbz s THR 28 CO -0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1wbz n GLN 29 N -0.66 -1.48 -4.12 3.99 1.13 -1.01 -0.76 117.38 114.47 1wbz n GLN 29 Ca -0.01 1.01 -0.30 0.00 -1.94 0.00 0.00 57.00 55.76 1wbz n GLN 29 Cb 0.65 -5.50 -0.08 0.00 0.11 0.00 0.00 30.24 25.42 1wbz n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1wbz s PHE 30 N -2.89 3.00 -0.28 1.08 -0.71 -1.20 -3.49 117.98 113.50 1wbz s PHE 30 Ca 0.00 -0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.69 1wbz s PHE 30 Cb 0.00 -1.54 0.09 0.00 -1.21 0.00 0.00 43.02 40.35 1wbz s PHE 30 CO 0.00 0.48 0.74 -1.58 -1.34 0.00 0.00 175.22 173.52 1wbz s HIS 31 N -1.32 -0.94 1.00 3.49 2.46 -1.14 -0.73 115.29 118.11 1wbz s HIS 31 Ca 0.26 1.95 -0.14 0.00 0.47 0.00 0.00 55.06 57.60 1wbz s HIS 31 Cb -0.12 0.53 0.19 0.00 -0.13 0.00 0.00 32.58 33.05 1wbz s HIS 31 CO 0.19 -0.46 1.13 -1.25 -2.47 0.00 0.00 174.74 171.87 1wbz s PRO 32 N 1.34 0.45 0.47 2.88 0.04 -1.26 -0.97 135.00 137.95 1wbz s PRO 32 Ca -0.08 0.27 0.25 0.00 0.04 0.00 0.00 61.00 61.48 1wbz s PRO 32 Cb -0.05 -1.76 1.10 0.00 0.04 0.00 0.00 34.50 33.83 1wbz s PRO 32 CO -0.15 -2.66 1.91 -1.00 0.04 0.00 0.00 177.00 175.13 1wbz h PRO 33 N -1.84 0.00 -6.49 0.56 0.13 -1.98 -3.43 132.00 118.95 1wbz h PRO 33 Ca -0.51 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.09 1wbz h PRO 33 Cb 1.32 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.49 1wbz h PRO 33 CO 0.55 0.20 1.14 -1.58 -0.23 0.00 0.00 178.00 178.08 1wbz s HIS 34 N -3.84 1.98 -0.02 1.56 2.46 -1.26 -4.97 115.29 111.20 1wbz s HIS 34 Ca -0.01 -0.12 -0.16 0.00 0.47 0.00 0.00 55.06 55.24 1wbz s HIS 34 Cb 0.11 -4.21 0.03 0.00 -0.13 0.00 0.00 32.58 28.39 1wbz s HIS 34 CO 0.62 -5.06 0.34 -1.50 -2.47 0.00 0.00 174.74 166.68 1wbz s ILE 35 N 3.04 0.05 -0.13 0.89 2.07 -1.26 -4.73 121.20 121.14 1wbz s ILE 35 Ca 0.83 -0.42 0.03 0.00 -1.41 0.00 0.00 60.65 59.67 1wbz s ILE 35 Cb -0.46 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.50 1wbz s ILE 35 CO 0.38 -0.23 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.35 1wbz s GLU 36 N -1.29 2.87 -0.09 3.50 2.02 -0.64 -5.01 118.70 120.06 1wbz s GLU 36 Ca -0.13 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1wbz s GLU 36 Cb -0.05 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.89 1wbz s GLU 36 CO 0.05 0.01 -0.12 0.42 0.02 0.00 0.00 175.26 175.64 1wbz s ILE 37 N 0.77 1.19 0.01 -1.63 1.01 -1.26 -0.85 121.20 120.44 1wbz s ILE 37 Ca -0.09 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1wbz s ILE 37 Cb -0.16 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1wbz s ILE 37 CO -0.00 0.38 -0.23 -1.10 0.00 0.00 0.00 174.94 173.99 1wbz s GLN 38 N 1.05 1.70 -0.01 2.79 -0.21 0.10 -4.99 119.66 120.08 1wbz s GLN 38 Ca -0.07 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.41 1wbz s GLN 38 Cb -0.15 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1wbz s GLN 38 CO -0.01 0.46 -0.02 -1.64 -2.12 0.00 0.00 175.29 171.96 1wbz s MET 39 N -0.88 2.75 -0.02 2.91 -1.94 -1.26 -0.28 119.30 120.58 1wbz s MET 39 Ca 0.09 -0.61 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 1wbz s MET 39 Cb -0.09 -2.64 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1wbz s MET 39 CO 0.01 0.63 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.99 1wbz s LEU 40 N -1.41 1.95 -0.18 -0.03 1.43 0.08 -0.55 118.68 119.98 1wbz s LEU 40 Ca 0.18 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1wbz s LEU 40 Cb -0.11 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 1wbz s LEU 40 CO 0.08 0.16 -0.10 -0.75 0.23 0.00 0.00 176.35 175.97 1wbz s LYS 41 N -0.15 3.33 -1.56 1.70 2.20 -0.17 -1.36 119.74 123.74 1wbz s LYS 41 Ca 0.01 -0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 54.79 1wbz s LYS 41 Cb -0.08 -2.80 0.13 0.00 -1.51 0.00 0.00 37.83 33.57 1wbz s LYS 41 CO 0.00 -0.03 0.74 0.09 -0.36 0.00 0.00 175.35 175.79 1wbz n ASN 42 N 4.25 -3.60 0.00 1.43 3.02 0.33 -0.65 115.26 120.04 1wbz n ASN 42 Ca -0.19 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1wbz n ASN 42 Cb 0.51 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 1wbz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbz n GLY 43 N -1.36 0.83 3.41 7.41 0.00 -1.26 -5.04 105.19 109.18 1wbz n GLY 43 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1wbz n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wbz s LYS 44 N -0.28 3.09 0.06 1.61 2.20 0.17 -5.05 119.74 121.55 1wbz s LYS 44 Ca 0.00 -0.69 -0.37 0.00 -0.36 0.00 0.00 55.97 54.55 1wbz s LYS 44 Cb 0.00 -2.55 -0.17 0.00 -1.51 0.00 0.00 37.83 33.61 1wbz s LYS 44 CO 0.00 0.35 1.38 1.17 -0.36 0.00 0.00 175.35 177.90 1wbz n LYS 45 N 3.11 1.19 -3.01 4.03 4.81 -1.26 -0.99 118.16 126.03 1wbz n LYS 45 Ca -0.18 0.43 -0.40 0.00 -0.87 0.00 0.00 58.31 57.29 1wbz n LYS 45 Cb 0.53 -2.08 -0.05 0.00 0.02 0.00 0.00 35.03 33.44 1wbz n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1wbz s ILE 46 N 0.76 4.82 -0.05 3.15 1.01 0.29 -4.82 121.20 126.36 1wbz s ILE 46 Ca 0.85 1.56 -0.20 0.00 0.00 0.00 0.00 60.65 62.86 1wbz s ILE 46 Cb -0.95 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 37.28 1wbz s ILE 46 CO 0.48 0.34 0.86 1.55 0.00 0.00 0.00 174.94 178.17 1wbz h PRO 47 N 5.91 -0.26 -4.50 2.79 0.13 -1.93 -3.40 132.00 130.74 1wbz h PRO 47 Ca -0.43 0.02 -0.74 0.00 -0.87 0.00 0.00 66.00 63.98 1wbz h PRO 47 Cb 1.20 0.06 -0.21 0.00 0.13 0.00 0.00 31.00 32.18 1wbz h PRO 47 CO 0.72 0.13 0.65 -1.59 -0.23 0.00 0.00 178.00 177.68 1wbz s LYS 48 N -3.47 3.72 -0.21 0.86 0.00 -1.26 -4.96 119.74 114.42 1wbz s LYS 48 Ca -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 55.97 53.62 1wbz s LYS 48 Cb 0.01 -4.76 0.01 0.00 0.00 0.00 0.00 37.83 33.08 1wbz s LYS 48 CO 0.45 -1.58 -0.11 0.08 0.00 0.00 0.00 175.35 174.19 1wbz s VAL 49 N 1.43 2.78 0.21 1.79 1.01 -1.26 -4.56 120.40 121.80 1wbz s VAL 49 Ca 0.29 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1wbz s VAL 49 Cb -0.07 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1wbz s VAL 49 CO -0.08 0.44 0.47 -1.61 0.00 0.00 0.00 175.10 174.31 1wbz s GLU 50 N 1.38 3.65 -0.04 2.72 2.02 0.18 -4.90 118.70 123.71 1wbz s GLU 50 Ca 0.05 -0.02 0.06 0.00 0.02 0.00 0.00 54.97 55.08 1wbz s GLU 50 Cb -0.14 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1wbz s GLU 50 CO -0.07 0.35 -0.23 -1.64 0.02 0.00 0.00 175.26 173.69 1wbz s MET 51 N -3.05 2.18 0.88 1.61 -1.94 -1.26 -0.64 119.30 117.09 1wbz s MET 51 Ca 0.43 -0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 53.47 1wbz s MET 51 Cb -0.11 -1.94 0.12 0.00 2.01 0.00 0.00 34.83 34.91 1wbz s MET 51 CO 0.26 0.40 1.11 -1.54 -0.01 0.00 0.00 175.02 175.24 1wbz s SER 52 N -0.27 3.41 0.65 3.03 1.04 0.62 -4.99 113.70 117.19 1wbz s SER 52 Ca 0.01 1.87 -0.17 0.00 0.48 0.00 0.00 55.95 58.14 1wbz s SER 52 Cb -0.12 -2.45 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wbz s SER 52 CO 0.02 -2.74 1.20 -1.81 0.98 0.00 0.00 173.24 170.89 1wbz s ASP 53 N -3.05 4.78 0.32 7.02 -0.00 -1.26 -4.73 116.67 119.74 1wbz s ASP 53 Ca 0.64 2.36 -0.14 0.00 -0.00 0.00 0.00 52.55 55.41 1wbz s ASP 53 Cb -0.20 -2.59 -0.09 0.00 -0.00 0.00 0.00 42.92 40.04 1wbz s ASP 53 CO 0.58 -1.87 0.72 -0.32 -0.00 0.00 0.00 175.17 174.28 1wbz s MET 54 N -3.62 3.97 0.15 8.23 1.75 -1.26 -4.81 119.30 123.71 1wbz s MET 54 Ca 0.76 0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 55.80 1wbz s MET 54 Cb -0.29 -2.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.88 1wbz s MET 54 CO 0.39 0.16 0.07 -1.12 -0.65 0.00 0.00 175.02 173.87 1wbz s SER 55 N -2.33 0.39 0.08 1.11 0.01 -1.14 -5.03 113.70 106.80 1wbz s SER 55 Ca 0.53 -1.25 0.02 0.00 1.31 0.00 0.00 55.95 56.56 1wbz s SER 55 Cb -0.10 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 1wbz s SER 55 CO 0.18 -0.74 -0.07 0.72 0.41 0.00 0.00 173.24 173.74 1wbz s PHE 56 N -4.02 0.85 0.47 2.43 -0.12 -1.26 -1.53 117.98 114.79 1wbz s PHE 56 Ca 0.28 -0.77 0.08 0.00 -0.05 0.00 0.00 56.93 56.47 1wbz s PHE 56 Cb 0.07 -0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.00 1wbz s PHE 56 CO 0.05 -0.11 0.57 -1.12 -0.05 0.00 0.00 175.22 174.55 1wbz s SER 57 N -2.58 5.30 0.62 1.98 0.01 -0.22 -4.96 113.70 113.85 1wbz s SER 57 Ca 0.05 -0.67 0.39 0.00 1.31 0.00 0.00 55.95 57.04 1wbz s SER 57 Cb 0.00 -0.31 2.01 0.00 0.21 0.00 0.00 66.02 67.93 1wbz s SER 57 CO -0.03 -0.91 2.23 0.50 0.41 0.00 0.00 173.24 175.44 1wbz h LYS 58 N 0.61 0.00 -0.16 12.44 1.63 -2.03 0.42 116.57 129.49 1wbz h LYS 58 Ca -0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1wbz h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1wbz h LYS 58 CO 0.48 0.01 0.00 -0.40 -3.45 0.00 0.00 179.45 176.09 1wbz n ASP 59 N -3.19 1.12 0.00 4.20 5.75 -1.26 -4.93 116.55 118.25 1wbz n ASP 59 Ca -0.02 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1wbz n ASP 59 Cb 0.15 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1wbz n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1wbz n TRP 60 N 0.03 0.00 -2.12 2.11 7.02 0.15 -5.03 117.44 119.61 1wbz n TRP 60 Ca 0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.21 1wbz n TRP 60 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1wbz n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1wbz s SER 61 N -3.22 6.05 0.36 -0.99 0.01 -1.26 -4.66 113.70 109.99 1wbz s SER 61 Ca 0.00 2.48 -0.05 0.00 1.31 0.00 0.00 55.95 59.69 1wbz s SER 61 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1wbz s SER 61 CO 0.00 -1.01 0.65 -0.36 0.41 0.00 0.00 173.24 172.93 1wbz s PHE 62 N -1.42 3.50 0.04 2.43 0.40 0.09 -1.06 117.98 121.96 1wbz s PHE 62 Ca 0.63 0.72 -0.09 0.00 -0.60 0.00 0.00 56.93 57.59 1wbz s PHE 62 Cb -0.33 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.01 1wbz s PHE 62 CO 0.41 0.01 0.18 1.52 0.70 0.00 0.00 175.22 178.04 1wbz s TYR 63 N -2.32 0.07 -0.08 0.36 -0.85 -0.58 -2.41 117.35 111.53 1wbz s TYR 63 Ca 0.46 -0.29 -0.29 0.00 -0.52 0.00 0.00 57.07 56.43 1wbz s TYR 63 Cb -0.10 -0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.26 1wbz s TYR 63 CO 0.34 -0.41 0.65 -1.50 -1.52 0.00 0.00 175.55 173.11 1wbz s ILE 64 N -2.49 0.00 -0.26 -3.49 2.07 -0.01 -2.88 121.20 114.15 1wbz s ILE 64 Ca -0.06 -0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 1wbz s ILE 64 Cb -0.01 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.63 1wbz s ILE 64 CO -0.04 -0.02 -0.03 -0.22 -1.91 0.00 0.00 174.94 172.72 1wbz s LEU 65 N -0.97 3.32 0.07 8.50 2.96 -1.26 -1.08 118.68 130.22 1wbz s LEU 65 Ca -0.10 -0.84 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 1wbz s LEU 65 Cb -0.01 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.91 1wbz s LEU 65 CO 0.08 -0.14 0.42 0.00 -1.32 0.00 0.00 176.35 175.39 1wbz s ALA 66 N 1.36 3.70 0.06 5.97 0.00 -0.06 -0.27 121.76 132.51 1wbz s ALA 66 Ca 0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1wbz s ALA 66 Cb -0.17 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.64 1wbz s ALA 66 CO -0.03 0.53 0.28 -3.38 0.00 0.00 0.00 175.76 173.16 1wbz s HIS 67 N -1.33 -0.05 -0.08 0.00 -3.43 0.19 0.54 115.29 111.13 1wbz s HIS 67 Ca 0.31 -0.15 -0.20 0.00 -0.80 0.00 0.00 55.06 54.22 1wbz s HIS 67 Cb -0.15 0.07 0.04 0.00 -1.43 0.00 0.00 32.58 31.11 1wbz s HIS 67 CO 0.17 -0.52 0.46 -0.08 -2.00 0.00 0.00 174.74 172.78 1wbz s THR 68 N -2.85 0.02 0.24 -5.38 -1.32 0.00 -0.65 115.64 105.71 1wbz s THR 68 Ca -0.03 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 59.96 1wbz s THR 68 Cb 0.00 -0.73 -0.09 0.00 -1.51 0.00 0.00 72.50 70.17 1wbz s THR 68 CO -0.05 -0.10 1.31 -1.61 -2.21 0.00 0.00 174.62 171.95 1wbz s GLU 69 N -0.74 4.39 0.01 7.08 2.02 -1.26 -0.76 118.70 129.43 1wbz s GLU 69 Ca -0.08 2.10 -0.18 0.00 0.02 0.00 0.00 54.97 56.82 1wbz s GLU 69 Cb -0.03 -3.16 0.04 0.00 0.10 0.00 0.00 34.13 31.07 1wbz s GLU 69 CO 0.04 -0.22 0.41 -0.59 0.02 0.00 0.00 175.26 174.92 1wbz s PHE 70 N -0.26 -0.28 -0.33 1.61 -0.71 -0.71 -4.87 117.98 112.43 1wbz s PHE 70 Ca 0.54 0.34 -0.00 0.00 -1.04 0.00 0.00 56.93 56.77 1wbz s PHE 70 Cb -0.37 0.19 0.08 0.00 -1.21 0.00 0.00 43.02 41.71 1wbz s PHE 70 CO 0.42 -0.51 0.05 0.99 -1.34 0.00 0.00 175.22 174.83 1wbz s THR 71 N -1.92 2.85 0.73 -4.49 2.01 -1.26 -0.26 115.64 113.29 1wbz s THR 71 Ca -0.09 -1.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.00 1wbz s THR 71 Cb -0.02 -2.80 0.04 0.00 0.01 0.00 0.00 72.50 69.73 1wbz s THR 71 CO 0.01 -0.33 1.25 -2.16 -0.69 0.00 0.00 174.62 172.71 1wbz s PRO 72 N 1.15 2.07 0.06 4.92 0.04 -1.26 -4.78 135.00 137.20 1wbz s PRO 72 Ca 0.01 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1wbz s PRO 72 Cb -0.20 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1wbz s PRO 72 CO -0.04 -1.93 -0.04 0.99 0.04 0.00 0.00 177.00 176.02 1wbz s THR 73 N -1.76 0.36 0.37 1.26 2.01 -1.26 -1.26 115.64 115.37 1wbz s THR 73 Ca 0.78 -1.72 0.07 0.00 0.31 0.00 0.00 61.69 61.13 1wbz s THR 73 Cb -0.33 -1.40 0.29 0.00 0.01 0.00 0.00 72.50 71.07 1wbz s THR 73 CO 0.45 -0.89 1.97 -0.33 -0.69 0.00 0.00 174.62 175.13 1wbz h GLU 74 N 3.31 0.68 0.00 4.92 3.07 -1.97 -3.32 114.58 121.27 1wbz h GLU 74 Ca -0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1wbz h GLU 74 Cb 1.16 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1wbz h GLU 74 CO 0.62 0.45 -0.68 0.25 -1.40 0.00 0.00 179.01 178.25 1wbz n THR 75 N -4.48 0.00 -2.36 1.13 -2.24 -1.26 -5.00 114.28 100.07 1wbz n THR 75 Ca 0.10 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1wbz n THR 75 Cb 0.23 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1wbz n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wbz s ASP 76 N -2.05 7.08 -0.04 3.42 1.01 -1.25 -5.01 116.67 119.82 1wbz s ASP 76 Ca 0.01 2.27 0.01 0.00 0.71 0.00 0.00 52.55 55.55 1wbz s ASP 76 Cb 0.05 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1wbz s ASP 76 CO 0.28 -0.36 -0.05 0.42 0.21 0.00 0.00 175.17 175.67 1wbz s THR 77 N -0.25 3.81 0.19 -1.27 -4.23 -1.26 -4.79 115.64 107.84 1wbz s THR 77 Ca 0.52 -0.54 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 1wbz s THR 77 Cb -0.33 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1wbz s THR 77 CO 0.38 0.52 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.45 1wbz s TYR 78 N -0.90 2.14 0.24 3.99 1.51 -1.26 -0.51 117.35 122.56 1wbz s TYR 78 Ca 0.15 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.63 1wbz s TYR 78 Cb -0.11 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1wbz s TYR 78 CO 0.04 0.46 0.60 0.00 -1.11 0.00 0.00 175.55 175.55 1wbz s ALA 79 N -1.86 -0.97 -0.05 3.71 0.00 -0.46 -1.33 121.76 120.79 1wbz s ALA 79 Ca 0.20 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1wbz s ALA 79 Cb -0.07 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1wbz s ALA 79 CO 0.09 -0.91 -0.12 0.00 0.00 0.00 0.00 175.76 174.83 1wbz s ARG 81 N 0.53 2.40 -0.08 0.00 3.52 0.62 -0.23 118.95 125.71 1wbz s ARG 81 Ca -0.11 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1wbz s ARG 81 Cb -0.14 -1.89 0.02 0.00 -1.56 0.00 0.00 34.95 31.37 1wbz s ARG 81 CO 0.03 0.14 -0.12 0.08 -0.81 0.00 0.00 175.30 174.62 1wbz s VAL 82 N 0.40 1.19 -0.15 7.11 1.01 -0.01 -0.72 120.40 129.22 1wbz s VAL 82 Ca -0.15 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1wbz s VAL 82 Cb -0.16 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1wbz s VAL 82 CO 0.06 0.37 -0.16 -0.75 0.00 0.00 0.00 175.10 174.63 1wbz s LYS 83 N 0.89 3.22 -0.17 2.72 2.20 -0.03 -0.98 119.74 127.59 1wbz s LYS 83 Ca -0.10 -0.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.57 1wbz s LYS 83 Cb -0.15 -2.59 0.05 0.00 -1.51 0.00 0.00 37.83 33.62 1wbz s LYS 83 CO 0.01 0.05 0.50 -1.58 -0.36 0.00 0.00 175.35 173.97 1wbz s HIS 84 N 0.72 -0.53 -0.56 4.03 2.46 -1.26 -1.62 115.29 118.52 1wbz s HIS 84 Ca -0.07 1.25 0.09 0.00 0.47 0.00 0.00 55.06 56.80 1wbz s HIS 84 Cb -0.16 0.20 0.48 0.00 -0.13 0.00 0.00 32.58 32.97 1wbz s HIS 84 CO 0.01 -0.30 1.23 -0.25 -2.47 0.00 0.00 174.74 172.97 1wbz n ASP 85 N 2.56 0.23 0.06 9.88 8.00 -1.26 -1.91 116.55 134.10 1wbz n ASP 85 Ca -0.14 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.05 1wbz n ASP 85 Cb 0.56 -0.59 0.48 0.00 -0.02 0.00 0.00 41.12 41.56 1wbz n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wbz n SER 86 N -1.79 0.43 -4.29 -2.24 3.41 -1.26 -4.76 113.62 103.11 1wbz n SER 86 Ca -0.01 0.55 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 1wbz n SER 86 Cb 0.07 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.20 1wbz n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1wbz s MET 87 N -3.08 2.23 0.30 4.33 -1.94 -0.81 -4.90 119.30 115.44 1wbz s MET 87 Ca 0.11 -0.91 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1wbz s MET 87 Cb 0.14 -2.05 0.45 0.00 2.01 0.00 0.00 34.83 35.38 1wbz s MET 87 CO 0.52 0.49 1.96 0.00 -0.01 0.00 0.00 175.02 177.98 1wbz h ALA 88 N 5.71 1.42 -2.19 3.03 0.00 -1.85 -3.45 119.26 121.93 1wbz h ALA 88 Ca -0.39 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.07 1wbz h ALA 88 Cb 1.14 -0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 1wbz h ALA 88 CO 0.47 0.53 -0.70 -1.21 0.00 0.00 0.00 179.25 178.34 1wbz s GLU 89 N -5.92 1.29 0.44 0.00 2.02 -1.26 -5.12 118.70 110.15 1wbz s GLU 89 Ca -0.12 -1.61 -0.26 0.00 0.02 0.00 0.00 54.97 53.01 1wbz s GLU 89 Cb 0.18 -0.84 -0.09 0.00 0.10 0.00 0.00 34.13 33.48 1wbz s GLU 89 CO 0.79 0.05 1.42 -2.14 0.02 0.00 0.00 175.26 175.40 1wbz s PRO 90 N -3.75 3.78 -0.22 0.39 0.02 -1.26 -4.86 135.00 129.10 1wbz s PRO 90 Ca 0.24 2.40 -0.09 0.00 0.02 0.00 0.00 61.00 63.56 1wbz s PRO 90 Cb 0.03 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 1wbz s PRO 90 CO 0.06 -0.74 0.11 0.21 -0.33 0.00 0.00 177.00 176.32 1wbz s LYS 91 N -2.38 4.00 -0.16 5.54 2.20 -0.16 -4.90 119.74 123.89 1wbz s LYS 91 Ca 0.59 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 1wbz s LYS 91 Cb -0.43 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1wbz s LYS 91 CO 0.56 0.12 -0.03 0.99 -0.36 0.00 0.00 175.35 176.63 1wbz s THR 92 N 0.85 3.98 -0.16 3.43 2.01 -1.26 -0.83 115.64 123.66 1wbz s THR 92 Ca 0.06 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1wbz s THR 92 Cb -0.13 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1wbz s THR 92 CO 0.03 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1wbz s VAL 93 N 0.37 1.61 0.26 3.82 1.01 0.68 -4.96 120.40 123.20 1wbz s VAL 93 Ca -0.03 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1wbz s VAL 93 Cb -0.14 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1wbz s VAL 93 CO 0.03 0.41 0.90 -0.31 0.00 0.00 0.00 175.10 176.12 1wbz s TYR 94 N 1.46 3.83 0.06 5.22 1.51 -1.26 -0.75 117.35 127.42 1wbz s TYR 94 Ca 0.04 1.78 -0.31 0.00 -1.01 0.00 0.00 57.07 57.57 1wbz s TYR 94 Cb -0.13 -2.90 -0.07 0.00 -0.11 0.00 0.00 41.96 38.75 1wbz s TYR 94 CO -0.10 0.36 1.49 -0.46 -1.11 0.00 0.00 175.55 175.72 1wbz s TRP 95 N -1.38 2.84 -0.28 2.71 -0.00 -0.44 -4.85 118.94 117.54 1wbz s TRP 95 Ca 0.44 0.69 -0.03 0.00 -0.00 0.00 0.00 56.10 57.19 1wbz s TRP 95 Cb -0.22 -3.78 0.03 0.00 -0.00 0.00 0.00 33.47 29.50 1wbz s TRP 95 CO 0.27 -2.94 0.00 0.34 -0.00 0.00 0.00 176.95 174.62 1wbz s ASP 96 N 1.78 4.76 0.62 5.86 -1.08 -1.26 -4.79 116.67 122.56 1wbz s ASP 96 Ca 0.68 -0.98 0.41 0.00 -0.52 0.00 0.00 52.55 52.14 1wbz s ASP 96 Cb -0.36 -1.75 2.17 0.00 -1.46 0.00 0.00 42.92 41.52 1wbz s ASP 96 CO 0.30 -0.20 2.26 0.08 0.52 0.00 0.00 175.17 178.13 1wbz h ARG 97 N 8.08 0.00 -0.09 4.34 0.11 -1.94 0.66 114.38 125.54 1wbz h ARG 97 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1wbz h ARG 97 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1wbz h ARG 97 CO 0.57 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.39 1wbz n ASP 98 N -3.03 0.67 0.00 0.08 8.00 -1.26 -4.84 116.55 116.18 1wbz n ASP 98 Ca -0.02 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1wbz n ASP 98 Cb 0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1wbz n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04