#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pdz s LYS 2 N 0.00 1.10 0.00 -0.52 -2.85 -1.26 -5.18 119.74 111.04 3pdz s LYS 2 Ca 0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 3pdz s LYS 2 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3pdz s LYS 2 CO 0.00 -0.44 0.00 -0.35 0.10 0.00 0.00 175.35 174.66 3pdz n PRO 3 N -0.18 0.28 0.00 1.78 -0.04 -1.26 -4.31 135.00 131.27 3pdz n PRO 3 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3pdz n PRO 3 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 3pdz n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3pdz n GLY 4 N 0.00 2.87 3.63 0.55 0.00 -1.26 -5.01 105.19 105.97 3pdz n GLY 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3pdz n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3pdz s ASP 5 N -1.67 2.54 0.01 1.61 1.01 -1.26 -4.66 116.67 114.24 3pdz s ASP 5 Ca 0.00 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.19 3pdz s ASP 5 Cb 0.00 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 3pdz s ASP 5 CO 0.00 -3.30 0.08 -0.63 0.21 0.00 0.00 175.17 171.54 3pdz s ILE 6 N -2.64 4.72 0.12 0.77 1.09 -1.26 -1.15 121.20 122.85 3pdz s ILE 6 Ca 0.67 -0.46 -0.02 0.00 -1.10 0.00 0.00 60.65 59.74 3pdz s ILE 6 Cb -0.23 -3.18 -0.04 0.00 -1.06 0.00 0.00 42.46 37.96 3pdz s ILE 6 CO 0.60 0.31 0.06 0.72 -0.10 0.00 0.00 174.94 176.53 3pdz s PHE 7 N -1.23 0.76 0.02 3.97 -0.12 -0.48 -4.87 117.98 116.03 3pdz s PHE 7 Ca 0.24 -1.16 0.04 0.00 -0.05 0.00 0.00 56.93 56.00 3pdz s PHE 7 Cb -0.12 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.82 3pdz s PHE 7 CO 0.15 -0.51 -0.13 -1.83 -0.05 0.00 0.00 175.22 172.85 3pdz s GLU 8 N -4.02 0.97 -0.34 1.99 -1.05 -1.26 0.20 118.70 115.19 3pdz s GLU 8 Ca 0.20 -0.62 -0.12 0.00 -0.15 0.00 0.00 54.97 54.28 3pdz s GLU 8 Cb 0.07 -0.96 -0.01 0.00 -0.44 0.00 0.00 34.13 32.80 3pdz s GLU 8 CO -0.01 0.25 0.22 0.54 0.95 0.00 0.00 175.26 177.22 3pdz s VAL 9 N -0.61 5.06 -0.96 1.83 0.11 0.52 -4.91 120.40 121.44 3pdz s VAL 9 Ca 0.03 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.69 3pdz s VAL 9 Cb -0.07 -3.64 0.28 0.00 -1.53 0.00 0.00 36.38 31.43 3pdz s VAL 9 CO 0.00 -0.05 1.19 1.21 -3.33 0.00 0.00 175.10 174.13 3pdz n GLU 10 N 5.07 3.71 -2.49 1.54 0.00 -1.21 -0.02 120.64 127.25 3pdz n GLU 10 Ca -0.13 -4.57 -0.25 0.00 0.00 0.00 0.00 57.16 52.21 3pdz n GLU 10 Cb 0.49 -2.44 0.04 0.00 0.00 0.00 0.00 31.44 29.52 3pdz n GLU 10 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3pdz s LEU 11 N -2.41 3.23 -0.65 4.31 2.96 0.23 -4.85 118.68 121.50 3pdz s LEU 11 Ca 0.33 0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 54.56 3pdz s LEU 11 Cb 0.04 -3.30 0.13 0.00 0.50 0.00 0.00 46.19 43.56 3pdz s LEU 11 CO 0.03 -1.11 0.71 0.00 -1.32 0.00 0.00 176.35 174.66 3pdz s ALA 12 N -2.94 3.55 0.44 5.97 0.00 -1.26 0.18 121.76 127.71 3pdz s ALA 12 Ca 0.55 -2.50 0.16 0.00 0.00 0.00 0.00 51.96 50.17 3pdz s ALA 12 Cb -0.10 -3.53 1.04 0.00 0.00 0.00 0.00 23.12 20.53 3pdz s ALA 12 CO 0.43 -2.34 2.00 -0.22 0.00 0.00 0.00 175.76 175.63 3pdz h LYS 13 N 8.90 0.00 0.02 0.00 3.11 -1.58 0.12 116.57 127.13 3pdz h LYS 13 Ca -0.20 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.39 3pdz h LYS 13 Cb 1.08 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.27 3pdz h LYS 13 CO 1.04 0.18 -1.34 -0.97 -2.81 0.00 0.00 179.45 175.56 3pdz h ASN 14 N 0.00 0.06 0.34 4.20 -1.24 0.89 -3.33 115.58 116.49 3pdz h ASN 14 Ca -0.00 -0.08 -0.26 0.00 0.71 0.00 0.00 56.30 56.66 3pdz h ASN 14 Cb 0.33 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.38 3pdz h ASN 14 CO 0.02 1.07 -1.12 0.44 -1.29 0.00 0.00 177.43 176.55 3pdz h ASP 15 N 0.01 0.63 -4.61 1.15 5.19 -1.72 -3.48 116.42 113.59 3pdz h ASP 15 Ca -0.14 -0.57 0.06 0.00 -0.62 0.00 0.00 57.03 55.76 3pdz h ASP 15 Cb 1.90 -0.20 -0.17 0.00 0.18 0.00 0.00 39.33 41.04 3pdz h ASP 15 CO 0.12 1.39 0.43 0.20 -3.12 0.00 0.00 179.24 178.26 3pdz s ASN 16 N -7.22 -0.44 0.20 6.45 -0.87 0.40 -5.09 114.94 108.37 3pdz s ASN 16 Ca -0.07 0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 3pdz s ASN 16 Cb 0.07 0.42 0.00 0.00 -0.02 0.00 0.00 41.25 41.72 3pdz s ASN 16 CO 0.89 -0.60 0.00 -1.20 -2.57 0.00 0.00 177.10 173.63 3pdz n SER 17 N 0.14 0.00 -3.68 -1.22 7.64 -1.26 -3.66 113.62 111.58 3pdz n SER 17 Ca -0.12 -0.28 -0.15 0.00 1.01 0.00 0.00 58.87 59.33 3pdz n SER 17 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 3pdz n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3pdz n LEU 18 N 0.00 0.00 -2.66 -3.43 4.32 -1.26 -3.10 117.00 110.87 3pdz n LEU 18 Ca 0.00 -1.65 -0.05 0.00 -0.02 0.00 0.00 56.01 54.29 3pdz n LEU 18 Cb 0.00 -0.06 0.12 0.00 -1.62 0.00 0.00 43.42 41.85 3pdz n LEU 18 CO 0.00 -0.48 0.56 0.61 -1.22 0.00 0.00 177.39 176.86 3pdz n GLY 19 N 1.05 1.47 3.48 -0.72 0.00 -1.26 -4.05 105.19 105.16 3pdz n GLY 19 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3pdz n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3pdz s ILE 20 N 0.16 3.29 -0.59 -0.61 2.07 -1.26 -1.96 121.20 122.31 3pdz s ILE 20 Ca 0.16 -0.62 -0.22 0.00 -1.41 0.00 0.00 60.65 58.56 3pdz s ILE 20 Cb 0.40 -2.34 0.06 0.00 0.13 0.00 0.00 42.46 40.70 3pdz s ILE 20 CO -0.10 0.57 0.89 -0.55 -1.91 0.00 0.00 174.94 173.84 3pdz s SER 21 N -0.39 6.25 0.16 4.50 0.15 -1.12 -4.90 113.70 118.34 3pdz s SER 21 Ca 0.05 -0.75 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 3pdz s SER 21 Cb -0.12 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 3pdz s SER 21 CO 0.02 -1.26 0.44 0.68 1.20 0.00 0.00 173.24 174.33 3pdz s VAL 22 N 3.74 5.07 0.36 4.45 -7.23 -1.26 -1.19 120.40 124.33 3pdz s VAL 22 Ca 0.24 0.26 -0.04 0.00 -1.81 0.00 0.00 61.98 60.63 3pdz s VAL 22 Cb -0.16 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.17 3pdz s VAL 22 CO 0.14 0.05 0.54 0.28 -0.31 0.00 0.00 175.10 175.79 3pdz s THR 23 N -1.67 0.00 0.00 5.32 -1.32 -1.21 -4.73 115.64 112.04 3pdz s THR 23 Ca 0.42 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 3pdz s THR 23 Cb -0.12 -2.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 3pdz s THR 23 CO 0.22 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 3pdz n GLY 24 N -0.58 1.92 5.00 6.08 0.00 -1.26 -3.10 105.19 113.25 3pdz n GLY 24 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3pdz n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pdz n GLY 25 N 0.00 0.08 1.12 -0.02 0.00 -1.24 -2.27 105.19 102.85 3pdz n GLY 25 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3pdz n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3pdz n VAL 26 N 0.00 0.65 -1.09 1.61 0.24 -1.26 -4.06 118.33 114.42 3pdz n VAL 26 Ca 0.00 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 3pdz n VAL 26 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3pdz n VAL 26 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3pdz n ASN 27 N 0.65 7.02 0.18 -1.34 2.85 -1.25 -3.60 115.26 119.77 3pdz n ASN 27 Ca 0.06 -2.47 0.00 0.00 -0.11 0.00 0.00 54.58 52.06 3pdz n ASN 27 Cb 0.08 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.71 3pdz n ASN 27 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3pdz n THR 28 N 3.47 0.00 0.01 -0.44 -1.04 -1.26 -4.92 114.28 110.10 3pdz n THR 28 Ca 0.62 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.59 3pdz n THR 28 Cb 0.34 -0.18 0.19 0.00 -1.82 0.00 0.00 70.33 68.86 3pdz n THR 28 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3pdz h SER 29 N 0.00 0.50 -3.76 8.00 0.87 -1.92 -3.44 113.55 113.80 3pdz h SER 29 Ca 0.00 -0.18 -0.20 0.00 -1.23 0.00 0.00 61.79 60.18 3pdz h SER 29 Cb 0.00 -0.14 0.05 0.00 -0.44 0.00 0.00 62.40 61.88 3pdz h SER 29 CO 0.00 0.76 0.10 1.33 -0.53 0.00 0.00 176.83 178.49 3pdz n VAL 30 N -4.11 0.00 0.02 2.23 0.24 -1.24 -5.03 118.33 110.45 3pdz n VAL 30 Ca -0.01 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.34 61.56 3pdz n VAL 30 Cb 0.42 -1.38 -0.09 0.00 -1.47 0.00 0.00 33.84 31.32 3pdz n VAL 30 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3pdz h ARG 31 N 0.00 -0.09 0.00 7.34 2.47 -1.89 -3.46 114.38 118.74 3pdz h ARG 31 Ca -0.16 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3pdz h ARG 31 Cb 0.54 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3pdz h ARG 31 CO 0.15 0.38 0.00 0.72 0.56 0.00 0.00 179.97 181.79 3pdz n HIS 32 N -4.89 0.00 -1.90 3.04 8.25 -1.26 -4.92 115.22 113.54 3pdz n HIS 32 Ca -0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.35 3pdz n HIS 32 Cb 0.27 0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 3pdz n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3pdz n GLY 33 N 2.24 0.62 3.84 -1.41 0.00 -1.26 -3.94 105.19 105.28 3pdz n GLY 33 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3pdz n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pdz s GLY 34 N -0.42 2.41 0.34 -0.02 0.00 -1.26 -2.63 107.32 105.74 3pdz s GLY 34 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 44.72 44.64 3pdz s GLY 34 CO 0.00 0.25 0.67 -1.50 0.00 0.00 0.00 173.10 172.52 3pdz s ILE 35 N -1.80 4.87 -0.22 0.90 2.07 -1.24 -3.69 121.20 122.09 3pdz s ILE 35 Ca 0.49 0.45 -0.02 0.00 -1.41 0.00 0.00 60.65 60.15 3pdz s ILE 35 Cb -0.12 -3.71 0.07 0.00 0.13 0.00 0.00 42.46 38.83 3pdz s ILE 35 CO 0.19 -0.37 0.05 -0.31 -1.91 0.00 0.00 174.94 172.58 3pdz s TYR 36 N -2.18 1.14 0.56 3.50 1.51 -1.18 -2.38 117.35 118.32 3pdz s TYR 36 Ca 0.49 -1.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.32 3pdz s TYR 36 Cb -0.11 -1.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.54 3pdz s TYR 36 CO 0.28 -0.67 1.00 1.33 -1.11 0.00 0.00 175.55 176.39 3pdz n VAL 37 N 5.02 3.40 -0.05 0.71 0.24 -1.19 -3.29 118.33 123.16 3pdz n VAL 37 Ca -0.08 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 3pdz n VAL 37 Cb 0.46 -1.20 -0.13 0.00 -1.47 0.00 0.00 33.84 31.50 3pdz n VAL 37 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3pdz h LYS 38 N 0.81 0.05 -1.92 7.34 3.11 -1.43 1.91 116.57 126.44 3pdz h LYS 38 Ca -0.48 -0.09 0.27 0.00 -2.81 0.00 0.00 60.65 57.54 3pdz h LYS 38 Cb 1.35 0.03 -0.09 0.00 -1.00 0.00 0.00 32.23 32.52 3pdz h LYS 38 CO 0.53 1.04 0.71 0.00 -2.81 0.00 0.00 179.45 178.92 3pdz s ALA 39 N -2.26 -2.02 -0.42 5.00 0.00 -1.10 -4.35 121.76 116.61 3pdz s ALA 39 Ca -0.18 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 3pdz s ALA 39 Cb -0.02 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.68 3pdz s ALA 39 CO 0.71 -1.07 0.44 0.14 0.00 0.00 0.00 175.76 175.99 3pdz s VAL 40 N -2.56 5.09 -0.32 0.00 -7.23 -1.26 -2.79 120.40 111.31 3pdz s VAL 40 Ca 0.17 -0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 59.70 3pdz s VAL 40 Cb 0.02 -4.04 0.01 0.00 0.56 0.00 0.00 36.38 32.92 3pdz s VAL 40 CO -0.01 -0.43 1.19 -0.63 -0.31 0.00 0.00 175.10 174.92 3pdz s ILE 41 N 2.14 4.31 -0.20 -0.62 1.09 -0.83 -4.90 121.20 122.19 3pdz s ILE 41 Ca 0.12 1.48 -0.01 0.00 -1.10 0.00 0.00 60.65 61.14 3pdz s ILE 41 Cb -0.17 -4.31 -0.01 0.00 -1.06 0.00 0.00 42.46 36.91 3pdz s ILE 41 CO 0.14 -0.52 1.23 -2.65 -0.10 0.00 0.00 174.94 173.04 3pdz n PRO 42 N 7.16 0.46 0.00 2.79 -0.02 -1.26 -3.04 135.00 141.09 3pdz n PRO 42 Ca 0.13 -0.69 0.00 0.00 -2.02 0.00 0.00 63.50 60.93 3pdz n PRO 42 Cb 0.47 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3pdz n PRO 42 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3pdz n GLN 43 N 4.72 0.00 -2.36 -0.52 7.27 -1.26 -5.05 117.38 120.17 3pdz n GLN 43 Ca 0.10 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.92 3pdz n GLN 43 Cb 0.03 -0.08 0.05 0.00 2.41 0.00 0.00 30.24 32.65 3pdz n GLN 43 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3pdz s GLY 44 N -3.46 1.70 0.25 1.69 0.00 -1.17 -4.94 107.32 101.39 3pdz s GLY 44 Ca 0.00 -0.98 0.15 0.00 0.00 0.00 0.00 44.72 43.89 3pdz s GLY 44 CO 0.00 -0.64 1.44 0.00 0.00 0.00 0.00 173.10 173.91 3pdz n ALA 45 N -2.70 0.94 0.11 3.20 0.00 -1.18 -2.44 120.51 118.44 3pdz n ALA 45 Ca 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3pdz n ALA 45 Cb 0.60 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 3pdz n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pdz h ALA 46 N 1.81 -0.35 -0.71 0.00 0.00 -1.82 -2.65 119.26 115.54 3pdz h ALA 46 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3pdz h ALA 46 Cb 0.13 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3pdz h ALA 46 CO 0.00 -0.40 0.43 1.05 0.00 0.00 0.00 179.25 180.33 3pdz h GLU 47 N -0.95 0.78 0.00 0.00 -0.00 -1.65 1.02 114.58 113.77 3pdz h GLU 47 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.28 3pdz h GLU 47 Cb 0.48 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 3pdz h GLU 47 CO 0.06 0.52 0.00 0.45 -0.00 0.00 0.00 179.01 180.04 3pdz n SER 48 N -4.71 0.00 -0.31 3.06 2.88 -1.14 -2.53 113.62 110.86 3pdz n SER 48 Ca 0.09 0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 58.61 3pdz n SER 48 Cb 0.14 -0.49 0.12 0.00 -0.75 0.00 0.00 64.21 63.23 3pdz n SER 48 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3pdz h ASP 49 N 0.00 0.90 -1.01 -3.46 5.19 -1.45 -3.47 116.42 113.12 3pdz h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3pdz h ASP 49 Cb 0.00 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.32 3pdz h ASP 49 CO 0.00 0.60 0.00 0.61 -3.12 0.00 0.00 179.24 177.33 3pdz n GLY 50 N -1.33 0.94 0.07 2.75 0.00 0.35 -5.00 105.19 102.96 3pdz n GLY 50 Ca 0.11 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3pdz n GLY 50 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3pdz h ARG 51 N 0.00 0.01 -7.32 1.61 2.47 -1.85 -3.46 114.38 105.83 3pdz h ARG 51 Ca 0.00 -0.01 -0.50 0.00 -1.26 0.00 0.00 59.98 58.21 3pdz h ARG 51 Cb 0.96 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 29.35 3pdz h ARG 51 CO 0.00 0.99 0.37 -1.50 0.56 0.00 0.00 179.97 180.39 3pdz s ILE 52 N -2.27 4.42 0.06 2.04 1.10 -1.26 -4.85 121.20 120.42 3pdz s ILE 52 Ca -0.19 0.67 -0.08 0.00 -0.51 0.00 0.00 60.65 60.54 3pdz s ILE 52 Cb -0.03 -3.76 -0.00 0.00 0.15 0.00 0.00 42.46 38.82 3pdz s ILE 52 CO 0.69 -0.97 0.17 -1.00 -2.11 0.00 0.00 174.94 171.72 3pdz s HIS 53 N -3.16 0.13 0.08 3.50 3.76 -1.26 -4.93 115.29 113.41 3pdz s HIS 53 Ca 0.55 -0.45 -0.36 0.00 -0.15 0.00 0.00 55.06 54.65 3pdz s HIS 53 Cb -0.11 -0.07 -0.18 0.00 1.11 0.00 0.00 32.58 33.33 3pdz s HIS 53 CO 0.52 -0.46 1.05 1.63 -0.85 0.00 0.00 174.74 176.64 3pdz n LYS 54 N 0.42 0.46 -2.43 1.40 5.02 -1.26 -0.79 118.16 120.98 3pdz n LYS 54 Ca -0.17 0.16 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 3pdz n LYS 54 Cb 0.60 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3pdz n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pdz n GLY 55 N 1.87 -0.48 3.71 0.72 0.00 0.65 -4.80 105.19 106.85 3pdz n GLY 55 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3pdz n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3pdz s ASP 56 N -2.03 6.65 -0.86 1.61 1.01 0.03 -4.36 116.67 118.73 3pdz s ASP 56 Ca 0.00 2.50 -0.25 0.00 0.71 0.00 0.00 52.55 55.51 3pdz s ASP 56 Cb 0.00 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.39 3pdz s ASP 56 CO 0.00 -0.79 1.33 -0.13 0.21 0.00 0.00 175.17 175.79 3pdz s ARG 57 N 1.49 3.37 -0.39 8.23 0.52 -1.15 -3.17 118.95 127.85 3pdz s ARG 57 Ca 0.69 -0.68 -0.25 0.00 -0.52 0.00 0.00 55.73 54.97 3pdz s ARG 57 Cb -0.41 -4.71 0.02 0.00 0.52 0.00 0.00 34.95 30.37 3pdz s ARG 57 CO 0.31 -2.15 0.86 0.14 0.02 0.00 0.00 175.30 174.48 3pdz s VAL 58 N 5.26 4.63 -0.50 3.52 -7.23 -1.00 0.81 120.40 125.88 3pdz s VAL 58 Ca 0.39 0.96 0.13 0.00 -1.81 0.00 0.00 61.98 61.65 3pdz s VAL 58 Cb -0.05 -4.30 -0.16 0.00 0.56 0.00 0.00 36.38 32.43 3pdz s VAL 58 CO 0.03 -0.56 0.51 0.18 -0.31 0.00 0.00 175.10 174.96 3pdz n LEU 59 N 6.70 0.50 -3.73 1.32 7.99 -1.04 -3.70 117.00 125.03 3pdz n LEU 59 Ca 0.05 -0.40 -0.14 0.00 -0.01 0.00 0.00 56.01 55.52 3pdz n LEU 59 Cb 0.48 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.71 3pdz n LEU 59 CO 0.57 0.13 0.07 0.00 -1.51 0.00 0.00 177.39 176.65 3pdz s ALA 60 N -2.41 -0.90 -0.30 -1.18 0.00 -0.13 0.15 121.76 116.99 3pdz s ALA 60 Ca 0.03 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 3pdz s ALA 60 Cb 0.10 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.27 3pdz s ALA 60 CO 0.56 -0.26 0.13 0.08 0.00 0.00 0.00 175.76 176.27 3pdz s VAL 61 N -1.05 0.04 -1.06 0.00 1.01 -0.94 -1.28 120.40 117.13 3pdz s VAL 61 Ca -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3pdz s VAL 61 Cb -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3pdz s VAL 61 CO 0.04 -0.74 0.00 0.59 0.00 0.00 0.00 175.10 174.99 3pdz n ASN 62 N 5.15 -4.99 0.00 3.32 5.03 0.44 -1.81 115.26 122.39 3pdz n ASN 62 Ca -0.05 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.65 3pdz n ASN 62 Cb 0.42 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.81 3pdz n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3pdz n GLY 63 N -0.70 0.93 3.46 7.41 0.00 -1.26 -5.07 105.19 109.95 3pdz n GLY 63 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3pdz n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pdz s VAL 64 N -2.00 4.87 0.17 1.61 0.11 -0.75 -5.02 120.40 119.39 3pdz s VAL 64 Ca 0.00 -0.38 -0.33 0.00 -2.93 0.00 0.00 61.98 58.34 3pdz s VAL 64 Cb 0.00 -4.28 -0.13 0.00 -1.53 0.00 0.00 36.38 30.44 3pdz s VAL 64 CO 0.00 -0.76 1.60 -1.20 -3.33 0.00 0.00 175.10 171.41 3pdz n SER 65 N 6.19 3.28 0.09 3.54 7.64 -1.26 -2.21 113.62 130.90 3pdz n SER 65 Ca -0.06 1.08 0.09 0.00 1.01 0.00 0.00 58.87 60.99 3pdz n SER 65 Cb 0.46 -1.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.19 3pdz n SER 65 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3pdz h LEU 66 N 6.05 0.00 -8.19 -3.43 7.12 0.11 -3.46 115.31 113.51 3pdz h LEU 66 Ca -0.45 0.00 -0.52 0.00 0.13 0.00 0.00 57.88 57.04 3pdz h LEU 66 Cb 1.24 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.32 3pdz h LEU 66 CO 0.90 0.14 1.67 -0.62 -0.13 0.00 0.00 178.44 180.40 3pdz n GLU 67 N -2.75 0.34 0.00 1.25 1.02 -1.26 -3.04 120.64 116.20 3pdz n GLU 67 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3pdz n GLU 67 Cb 0.62 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3pdz n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3pdz n GLY 68 N 6.46 0.69 3.57 0.62 0.00 -1.25 -4.99 105.19 110.29 3pdz n GLY 68 Ca 0.56 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 3pdz n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pdz s ALA 69 N -1.12 -2.01 0.36 4.61 0.00 -1.08 -5.01 121.76 117.51 3pdz s ALA 69 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3pdz s ALA 69 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3pdz s ALA 69 CO 0.00 -0.65 0.06 0.25 0.00 0.00 0.00 175.76 175.42 3pdz n THR 70 N -0.15 0.00 0.47 0.00 -2.24 -1.26 -4.15 114.28 106.94 3pdz n THR 70 Ca -0.02 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 3pdz n THR 70 Cb 0.59 -1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 67.42 3pdz n THR 70 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3pdz h HIS 71 N -0.35 -1.10 -0.84 4.78 2.76 -1.63 -1.84 115.15 116.93 3pdz h HIS 71 Ca -0.02 -0.03 0.17 0.00 -2.20 0.00 0.00 60.37 58.30 3pdz h HIS 71 Cb 0.07 0.36 -0.06 0.00 1.55 0.00 0.00 27.41 29.33 3pdz h HIS 71 CO 0.00 -0.68 0.55 -0.22 -1.30 0.00 0.00 177.93 176.28 3pdz h LYS 72 N -1.22 0.42 0.46 5.26 3.64 -1.95 0.47 116.57 123.65 3pdz h LYS 72 Ca -0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 3pdz h LYS 72 Cb 0.91 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3pdz h LYS 72 CO 0.20 0.28 -0.25 1.96 -2.27 0.00 0.00 179.45 179.37 3pdz h GLN 73 N 0.43 -0.63 -0.49 1.90 4.20 -1.85 -0.85 115.11 117.82 3pdz h GLN 73 Ca 0.42 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.14 3pdz h GLN 73 Cb 0.99 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3pdz h GLN 73 CO -0.15 -0.42 0.16 0.00 -0.67 0.00 0.00 178.83 177.75 3pdz h ALA 74 N -0.12 0.64 -1.00 3.87 0.00 -0.41 -1.85 119.26 120.39 3pdz h ALA 74 Ca -0.06 -0.18 0.33 0.00 0.00 0.00 0.00 54.91 55.01 3pdz h ALA 74 Cb 0.52 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 17.96 3pdz h ALA 74 CO 0.08 0.29 0.56 -0.24 0.00 0.00 0.00 179.25 179.95 3pdz h VAL 75 N 0.66 0.27 -0.27 0.00 3.04 0.20 1.40 116.25 121.55 3pdz h VAL 75 Ca 0.16 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.69 3pdz h VAL 75 Cb 0.26 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 3pdz h VAL 75 CO -0.01 0.05 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.21 3pdz h GLU 76 N 0.29 0.52 0.38 4.17 4.39 -0.34 -1.53 114.58 122.46 3pdz h GLU 76 Ca 0.75 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 3pdz h GLU 76 Cb 1.73 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 3pdz h GLU 76 CO -0.62 0.73 -0.18 1.79 -1.16 0.00 0.00 179.01 179.56 3pdz h THR 77 N 0.27 0.62 -0.56 1.13 1.35 0.20 1.59 112.91 117.52 3pdz h THR 77 Ca 0.07 -0.35 0.09 0.00 -0.55 0.00 0.00 66.41 65.68 3pdz h THR 77 Cb 0.54 0.79 -0.07 0.00 -1.73 0.00 0.00 68.15 67.68 3pdz h THR 77 CO 0.03 0.07 0.16 -0.07 -0.25 0.00 0.00 175.52 175.45 3pdz h LEU 78 N -0.71 0.10 0.58 3.87 3.38 -0.21 -2.86 115.31 119.45 3pdz h LEU 78 Ca -0.05 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3pdz h LEU 78 Cb 0.50 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3pdz h LEU 78 CO 0.09 0.07 -0.28 -0.09 0.09 0.00 0.00 178.44 178.32 3pdz h ARG 79 N 0.31 -0.75 -3.91 1.13 9.65 -1.19 -3.33 114.38 116.29 3pdz h ARG 79 Ca 0.28 0.05 -0.29 0.00 -1.10 0.00 0.00 59.98 58.92 3pdz h ARG 79 Cb 0.38 0.17 0.03 0.00 -1.39 0.00 0.00 29.97 29.15 3pdz h ARG 79 CO -0.33 -0.49 1.89 0.09 2.80 0.00 0.00 179.97 183.93 3pdz n ASN 80 N -5.29 2.52 0.00 -3.80 3.02 0.54 -4.41 115.26 107.84 3pdz n ASN 80 Ca -0.10 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 3pdz n ASN 80 Cb 0.31 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 3pdz n ASN 80 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3pdz n THR 81 N 4.96 0.00 0.00 3.41 -2.24 -1.23 -4.79 114.28 114.38 3pdz n THR 81 Ca 0.29 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 3pdz n THR 81 Cb 0.14 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 3pdz n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pdz n GLY 82 N 2.01 1.39 0.00 3.38 0.00 -1.26 -4.89 105.19 105.81 3pdz n GLY 82 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3pdz n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pdz n GLN 83 N 0.00 0.00 -4.21 1.61 10.64 -1.26 -3.84 117.38 120.32 3pdz n GLN 83 Ca 0.00 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.93 3pdz n GLN 83 Cb 0.00 -0.78 -0.06 0.00 -0.86 0.00 0.00 30.24 28.54 3pdz n GLN 83 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3pdz s VAL 84 N -0.60 3.88 -1.11 -0.39 1.01 -1.26 0.12 120.40 122.05 3pdz s VAL 84 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.29 3pdz s VAL 84 Cb 0.00 -3.04 0.25 0.00 0.00 0.00 0.00 36.38 33.59 3pdz s VAL 84 CO 0.00 -0.28 1.15 -0.69 0.00 0.00 0.00 175.10 175.28 3pdz s VAL 85 N -2.08 5.79 -0.96 2.92 1.01 0.48 -4.53 120.40 123.03 3pdz s VAL 85 Ca 0.31 -3.20 -0.08 0.00 0.00 0.00 0.00 61.98 59.01 3pdz s VAL 85 Cb -0.08 -4.66 0.24 0.00 0.00 0.00 0.00 36.38 31.89 3pdz s VAL 85 CO 0.21 -1.26 0.91 -2.28 0.00 0.00 0.00 175.10 172.68 3pdz s HIS 86 N -0.60 4.01 -0.30 5.22 5.04 -1.24 0.75 115.29 128.18 3pdz s HIS 86 Ca 0.32 -2.60 -0.12 0.00 -1.54 0.00 0.00 55.06 51.13 3pdz s HIS 86 Cb -0.09 -3.66 -0.04 0.00 0.04 0.00 0.00 32.58 28.83 3pdz s HIS 86 CO -0.07 -0.91 0.21 -0.51 -2.34 0.00 0.00 174.74 171.13 3pdz s LEU 87 N -0.85 4.20 -0.60 8.88 1.43 0.97 -0.42 118.68 132.29 3pdz s LEU 87 Ca 0.26 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 3pdz s LEU 87 Cb -0.10 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.07 3pdz s LEU 87 CO -0.09 -0.12 0.79 -0.76 0.23 0.00 0.00 176.35 176.40 3pdz s LEU 88 N 1.75 4.95 0.00 1.79 1.02 -0.41 0.19 118.68 127.98 3pdz s LEU 88 Ca 0.07 -1.16 0.00 0.00 0.02 0.00 0.00 54.13 53.05 3pdz s LEU 88 Cb -0.16 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.66 3pdz s LEU 88 CO 0.11 -1.19 0.00 0.18 0.02 0.00 0.00 176.35 175.47 3pdz n LEU 89 N 6.80 0.00 -3.92 1.79 4.77 0.54 -0.96 117.00 126.02 3pdz n LEU 89 Ca -0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.81 3pdz n LEU 89 Cb 0.44 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 3pdz n LEU 89 CO 0.60 0.00 -0.34 -0.70 -1.33 0.00 0.00 177.39 175.62 3pdz s GLU 90 N 2.46 0.19 -0.36 3.23 2.12 0.24 -1.38 118.70 125.20 3pdz s GLU 90 Ca 0.00 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 3pdz s GLU 90 Cb 0.00 0.07 -0.08 0.00 0.26 0.00 0.00 34.13 34.38 3pdz s GLU 90 CO 0.00 -0.03 2.29 1.17 -0.54 0.00 0.00 175.26 178.15 3pdz n LYS 91 N 2.29 1.41 -1.18 4.30 3.00 -0.30 -2.92 118.16 124.77 3pdz n LYS 91 Ca -0.18 0.30 -0.29 0.00 -0.00 0.00 0.00 58.31 58.14 3pdz n LYS 91 Cb 0.57 -3.03 0.16 0.00 0.00 0.00 0.00 35.03 32.73 3pdz n LYS 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3pdz s GLY 92 N 9.19 1.59 0.18 3.14 0.00 -1.26 -4.46 107.32 115.70 3pdz s GLY 92 Ca 1.04 -0.19 -0.21 0.00 0.00 0.00 0.00 44.72 45.36 3pdz s GLY 92 CO 0.37 0.35 0.70 1.62 0.00 0.00 0.00 173.10 176.14 3pdz s GLN 93 N -4.94 4.30 0.41 2.90 0.74 -1.26 -4.96 119.66 116.84 3pdz s GLN 93 Ca 0.64 0.89 -0.19 0.00 0.05 0.00 0.00 55.36 56.76 3pdz s GLN 93 Cb -0.18 -3.03 -0.10 0.00 1.10 0.00 0.00 33.01 30.80 3pdz s GLN 93 CO 0.57 0.48 0.89 -1.12 -0.55 0.00 0.00 175.29 175.56 3pdz s SER 94 N -1.45 6.85 0.15 6.67 0.01 -1.26 -4.98 113.70 119.68 3pdz s SER 94 Ca 0.39 1.55 -0.23 0.00 1.31 0.00 0.00 55.95 58.97 3pdz s SER 94 Cb -0.18 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.59 3pdz s SER 94 CO 0.22 -0.34 1.63 -0.65 0.41 0.00 0.00 173.24 174.50 3pdz h PRO 95 N 1.87 -0.25 -0.02 12.44 0.11 -1.99 -3.55 132.00 140.61 3pdz h PRO 95 Ca -0.48 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3pdz h PRO 95 Cb 1.18 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3pdz h PRO 95 CO 0.62 -0.16 0.00 2.41 -0.21 0.00 0.00 178.00 180.66