#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pdz n LYS 2 N 0.00 0.00 0.00 0.54 5.02 -1.26 -5.15 118.16 117.32 3pdz n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3pdz n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3pdz n LYS 2 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3pdz n PRO 3 N -3.38 0.46 0.00 1.97 -0.02 -1.26 -4.37 135.00 128.40 3pdz n PRO 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3pdz n PRO 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3pdz n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3pdz n GLY 4 N 0.00 3.08 3.77 -1.23 0.00 -1.26 -5.01 105.19 104.54 3pdz n GLY 4 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.47 6.73 0.52 1.61 1.01 -1.26 -4.77 116.67 120.04 3pdz s ASP 5 Ca 0.00 2.27 -0.19 0.00 0.71 0.00 0.00 52.55 55.34 3pdz s ASP 5 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 3pdz s ASP 5 CO 0.00 -0.52 1.05 -0.63 0.21 0.00 0.00 175.17 175.28 3pdz s ILE 6 N -1.41 3.71 0.07 0.77 1.09 -1.26 -3.06 121.20 121.10 3pdz s ILE 6 Ca 0.54 1.01 -0.09 0.00 -1.10 0.00 0.00 60.65 61.01 3pdz s ILE 6 Cb -0.29 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 3pdz s ILE 6 CO 0.37 -0.28 0.19 0.72 -0.10 0.00 0.00 174.94 175.84 3pdz s PHE 7 N -2.05 0.12 0.02 3.97 -0.71 0.10 -4.86 117.98 114.57 3pdz s PHE 7 Ca 0.67 -0.48 0.06 0.00 -1.04 0.00 0.00 56.93 56.14 3pdz s PHE 7 Cb -0.17 -0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.57 3pdz s PHE 7 CO 0.24 -0.51 -0.18 -1.83 -1.34 0.00 0.00 175.22 171.61 3pdz s GLU 8 N -3.45 1.30 -0.34 1.99 1.03 -1.26 0.24 118.70 118.21 3pdz s GLU 8 Ca 0.02 -0.76 -0.12 0.00 0.03 0.00 0.00 54.97 54.14 3pdz s GLU 8 Cb 0.03 -1.33 -0.01 0.00 -0.80 0.00 0.00 34.13 32.02 3pdz s GLU 8 CO -0.09 0.35 0.22 0.54 -1.33 0.00 0.00 175.26 174.95 3pdz s VAL 9 N -0.63 5.05 -0.97 1.83 0.11 0.52 -4.92 120.40 121.39 3pdz s VAL 9 Ca 0.06 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3pdz s VAL 9 Cb -0.08 -3.61 0.28 0.00 -1.53 0.00 0.00 36.38 31.44 3pdz s VAL 9 CO 0.01 -0.01 1.17 1.21 -3.33 0.00 0.00 175.10 174.15 3pdz n GLU 10 N 5.07 3.66 -2.51 1.54 2.13 -1.22 -0.67 120.64 128.64 3pdz n GLU 10 Ca -0.13 -4.56 -0.25 0.00 0.66 0.00 0.00 57.16 52.88 3pdz n GLU 10 Cb 0.49 -2.45 0.03 0.00 0.27 0.00 0.00 31.44 29.79 3pdz n GLU 10 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3pdz s LEU 11 N -2.30 3.26 -0.75 4.31 2.96 0.88 -4.85 118.68 122.18 3pdz s LEU 11 Ca 0.32 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.56 3pdz s LEU 11 Cb 0.03 -3.32 0.15 0.00 0.50 0.00 0.00 46.19 43.55 3pdz s LEU 11 CO 0.02 -1.08 0.82 0.00 -1.32 0.00 0.00 176.35 174.79 3pdz s ALA 12 N -2.92 3.63 0.57 5.97 0.00 -1.26 0.16 121.76 127.91 3pdz s ALA 12 Ca 0.54 -2.74 0.26 0.00 0.00 0.00 0.00 51.96 50.02 3pdz s ALA 12 Cb -0.10 -3.65 1.56 0.00 0.00 0.00 0.00 23.12 20.93 3pdz s ALA 12 CO 0.43 -2.47 2.10 -0.22 0.00 0.00 0.00 175.76 175.60 3pdz h LYS 13 N 8.62 0.00 0.10 0.00 3.11 -1.64 -0.62 116.57 126.15 3pdz h LYS 13 Ca -0.05 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.57 3pdz h LYS 13 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 3pdz h LYS 13 CO 0.99 0.00 -1.09 -0.91 -2.81 0.00 0.00 179.45 175.63 3pdz h ASN 14 N 0.00 0.34 -0.69 4.20 2.35 -0.48 -3.35 115.58 117.94 3pdz h ASN 14 Ca 0.09 -0.87 0.03 0.00 -0.55 0.00 0.00 56.30 55.01 3pdz h ASN 14 Cb 0.46 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 3pdz h ASN 14 CO -0.00 1.48 0.44 -0.78 -1.65 0.00 0.00 177.43 176.92 3pdz h ASP 15 N -0.45 0.72 -4.92 5.81 1.82 -1.69 -3.46 116.42 114.26 3pdz h ASP 15 Ca -0.23 -0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.52 3pdz h ASP 15 Cb 1.61 -0.16 -0.12 0.00 0.68 0.00 0.00 39.33 41.35 3pdz h ASP 15 CO 0.06 0.50 0.44 0.21 -1.61 0.00 0.00 179.24 178.83 3pdz s ASN 16 N -5.75 -0.33 0.49 2.28 2.47 -0.30 -5.10 114.94 108.70 3pdz s ASN 16 Ca -0.13 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 52.99 3pdz s ASN 16 Cb 0.15 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.42 3pdz s ASN 16 CO 0.77 -0.80 0.00 -1.20 -3.72 0.00 0.00 177.10 172.15 3pdz n SER 17 N -0.34 0.00 -3.01 -4.21 7.64 -1.26 -3.87 113.62 108.56 3pdz n SER 17 Ca -0.09 -0.69 -0.08 0.00 1.01 0.00 0.00 58.87 59.02 3pdz n SER 17 Cb 0.62 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.64 -3.43 7.99 -1.26 -2.59 117.00 115.07 3pdz n LEU 18 Ca 0.00 -0.85 -0.03 0.00 -0.01 0.00 0.00 56.01 55.12 3pdz n LEU 18 Cb 0.00 -0.19 0.12 0.00 -0.11 0.00 0.00 43.42 43.24 3pdz n LEU 18 CO 0.00 -0.62 0.59 0.61 -1.51 0.00 0.00 177.39 176.46 3pdz n GLY 19 N 2.33 1.72 3.53 -0.72 0.00 -1.26 -3.80 105.19 106.99 3pdz n GLY 19 Ca 0.06 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 0.14 3.32 -0.52 -0.61 2.07 -1.26 -0.93 121.20 123.40 3pdz s ILE 20 Ca 0.12 -0.71 -0.18 0.00 -1.41 0.00 0.00 60.65 58.47 3pdz s ILE 20 Cb 0.42 -2.35 0.08 0.00 0.13 0.00 0.00 42.46 40.73 3pdz s ILE 20 CO -0.11 0.53 0.58 -0.55 -1.91 0.00 0.00 174.94 173.48 3pdz s SER 21 N -0.95 6.19 0.28 4.50 0.15 -1.06 -4.88 113.70 117.92 3pdz s SER 21 Ca 0.13 -1.23 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 3pdz s SER 21 Cb -0.11 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 3pdz s SER 21 CO 0.03 -0.89 0.52 0.68 1.20 0.00 0.00 173.24 174.77 3pdz s VAL 22 N 2.33 5.07 0.31 4.45 -7.23 -1.26 -1.27 120.40 122.80 3pdz s VAL 22 Ca 0.11 -0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 3pdz s VAL 22 Cb -0.23 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 32.97 3pdz s VAL 22 CO 0.08 -0.33 0.44 0.41 -0.31 0.00 0.00 175.10 175.40 3pdz n THR 23 N -1.00 0.00 0.00 5.32 -1.04 -1.21 -4.73 114.28 111.62 3pdz n THR 23 Ca -0.03 -1.51 0.00 0.00 -2.04 0.00 0.00 64.05 60.47 3pdz n THR 23 Cb 0.54 0.95 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 3pdz n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3pdz n GLY 24 N -0.50 2.91 5.00 3.41 0.00 -1.26 -3.23 105.19 111.52 3pdz n GLY 24 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.63 2.03 -0.02 0.00 -1.22 -2.21 105.19 104.40 3pdz n GLY 25 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 0.37 -1.23 1.61 0.24 -1.26 -3.84 118.33 114.22 3pdz n VAL 26 Ca 0.00 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.34 61.66 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 0.59 -2.14 0.00 0.00 176.83 175.28 3pdz n ASN 27 N 1.45 7.96 0.18 -1.34 3.02 -1.25 -3.68 115.26 121.60 3pdz n ASN 27 Ca 0.07 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 3pdz n ASN 27 Cb 0.25 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 3pdz n ASN 27 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3pdz n THR 28 N 3.36 0.00 0.03 3.41 -1.04 -1.26 -4.92 114.28 113.86 3pdz n THR 28 Ca 0.71 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.63 3pdz n THR 28 Cb 0.38 -0.18 0.06 0.00 -1.82 0.00 0.00 70.33 68.77 3pdz n THR 28 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3pdz h SER 29 N 0.00 0.51 -3.26 8.00 0.02 -1.93 -3.46 113.55 113.44 3pdz h SER 29 Ca 0.00 -0.29 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 3pdz h SER 29 Cb 0.00 -0.15 0.05 0.00 0.14 0.00 0.00 62.40 62.45 3pdz h SER 29 CO 0.00 1.00 0.12 1.33 -1.14 0.00 0.00 176.83 178.14 3pdz n VAL 30 N -3.91 0.00 -0.35 2.27 0.24 -1.24 -4.97 118.33 110.37 3pdz n VAL 30 Ca -0.03 -0.47 0.03 0.00 -2.04 0.00 0.00 64.34 61.83 3pdz n VAL 30 Cb 0.63 -1.57 0.20 0.00 -1.47 0.00 0.00 33.84 31.63 3pdz n VAL 30 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3pdz h ARG 31 N 0.00 1.10 0.00 7.34 2.43 -1.88 -3.44 114.38 119.93 3pdz h ARG 31 Ca -0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3pdz h ARG 31 Cb 0.46 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3pdz h ARG 31 CO 0.13 0.73 0.00 -2.39 -1.51 0.00 0.00 179.97 176.92 3pdz n HIS 32 N -4.51 0.00 -1.33 2.20 1.44 -1.26 -4.97 115.22 106.79 3pdz n HIS 32 Ca 0.15 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.86 3pdz n HIS 32 Cb 0.20 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.31 3pdz n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3pdz n GLY 33 N -0.50 0.28 3.92 -1.39 0.00 -1.26 -3.87 105.19 102.37 3pdz n GLY 33 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.02 2.02 0.22 -0.02 0.00 -1.25 -2.42 107.32 105.85 3pdz s GLY 34 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 3pdz s GLY 34 CO 0.00 -0.71 0.44 -1.50 0.00 0.00 0.00 173.10 171.33 3pdz s ILE 35 N -1.71 5.15 -0.22 0.90 2.07 -1.25 -3.41 121.20 122.74 3pdz s ILE 35 Ca 0.38 -0.20 -0.03 0.00 -1.41 0.00 0.00 60.65 59.39 3pdz s ILE 35 Cb -0.12 -3.72 0.07 0.00 0.13 0.00 0.00 42.46 38.82 3pdz s ILE 35 CO 0.27 -0.20 0.07 -0.31 -1.91 0.00 0.00 174.94 172.86 3pdz s TYR 36 N -1.91 0.85 0.56 3.50 1.51 -1.20 -2.56 117.35 118.09 3pdz s TYR 36 Ca 0.40 -0.86 -0.20 0.00 -1.01 0.00 0.00 57.07 55.41 3pdz s TYR 36 Cb -0.11 -1.03 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 3pdz s TYR 36 CO 0.29 -0.65 1.01 1.33 -1.11 0.00 0.00 175.55 176.42 3pdz n VAL 37 N 5.10 3.43 -0.06 0.71 0.24 -1.19 -3.34 118.33 123.21 3pdz n VAL 37 Ca -0.07 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.58 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 0.07 -2.14 0.00 0.00 176.83 174.76 3pdz h LYS 38 N 0.80 0.02 -1.96 7.34 2.10 -1.47 2.23 116.57 125.62 3pdz h LYS 38 Ca -0.48 -0.04 0.26 0.00 -2.00 0.00 0.00 60.65 58.40 3pdz h LYS 38 Cb 1.35 0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 32.61 3pdz h LYS 38 CO 0.53 1.02 0.71 0.00 -2.00 0.00 0.00 179.45 179.71 3pdz s ALA 39 N -2.24 -2.02 -0.39 0.07 0.00 -1.12 -4.33 121.76 111.73 3pdz s ALA 39 Ca -0.19 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3pdz s ALA 39 Cb -0.02 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.69 3pdz s ALA 39 CO 0.70 -1.07 0.41 0.14 0.00 0.00 0.00 175.76 175.93 3pdz s VAL 40 N -2.52 5.12 -0.24 0.00 -7.23 -1.26 -2.57 120.40 111.70 3pdz s VAL 40 Ca 0.17 -0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 59.85 3pdz s VAL 40 Cb 0.01 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 33.00 3pdz s VAL 40 CO -0.00 -0.30 1.13 -0.63 -0.31 0.00 0.00 175.10 174.99 3pdz s ILE 41 N 2.08 4.48 -0.33 -0.62 1.09 -0.11 -4.88 121.20 122.92 3pdz s ILE 41 Ca 0.12 1.77 -0.08 0.00 -1.10 0.00 0.00 60.65 61.35 3pdz s ILE 41 Cb -0.17 -4.23 -0.08 0.00 -1.06 0.00 0.00 42.46 36.92 3pdz s ILE 41 CO 0.13 -0.26 1.48 -0.81 -0.10 0.00 0.00 174.94 175.38 3pdz n PRO 42 N 6.61 0.72 0.00 2.79 -0.04 -1.26 -3.10 135.00 140.71 3pdz n PRO 42 Ca 0.13 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 3pdz n PRO 42 Cb 0.46 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3pdz n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3pdz n GLN 43 N 5.40 0.00 -2.43 0.54 6.02 -1.26 -5.06 117.38 120.59 3pdz n GLN 43 Ca 0.24 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.98 3pdz n GLN 43 Cb 0.13 -0.06 0.04 0.00 1.02 0.00 0.00 30.24 31.38 3pdz n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3pdz s GLY 44 N -2.80 1.67 0.18 1.08 0.00 -1.18 -4.94 107.32 101.33 3pdz s GLY 44 Ca 0.00 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 43.90 3pdz s GLY 44 CO 0.00 -0.61 1.26 0.00 0.00 0.00 0.00 173.10 173.75 3pdz n ALA 45 N -2.61 0.87 0.16 3.20 0.00 -1.07 -2.38 120.51 118.69 3pdz n ALA 45 Ca 0.06 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 3pdz n ALA 45 Cb 0.59 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 1.70 -0.48 -0.73 0.00 0.00 -1.80 -2.62 119.26 115.33 3pdz h ALA 46 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3pdz h ALA 46 Cb 0.19 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3pdz h ALA 46 CO 0.00 -0.48 0.44 1.05 0.00 0.00 0.00 179.25 180.26 3pdz h GLU 47 N -1.07 0.80 0.00 0.00 -0.00 -1.64 0.97 114.58 113.64 3pdz h GLU 47 Ca -0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 3pdz h GLU 47 Cb 0.45 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.02 3pdz h GLU 47 CO 0.08 0.53 0.00 0.43 -0.00 0.00 0.00 179.01 180.05 3pdz n SER 48 N -4.69 0.00 -0.32 3.06 7.64 -1.12 -2.57 113.62 115.62 3pdz n SER 48 Ca 0.09 0.95 -0.01 0.00 1.01 0.00 0.00 58.87 60.92 3pdz n SER 48 Cb 0.14 -0.45 0.12 0.00 -1.01 0.00 0.00 64.21 63.01 3pdz n SER 48 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3pdz h ASP 49 N 0.00 0.91 -0.98 6.43 1.82 -1.45 -3.47 116.42 119.68 3pdz h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3pdz h ASP 49 Cb 0.00 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.82 3pdz h ASP 49 CO 0.00 0.61 0.00 0.61 -1.61 0.00 0.00 179.24 178.85 3pdz n GLY 50 N -1.33 0.95 0.07 -0.78 0.00 0.33 -5.00 105.19 99.43 3pdz n GLY 50 Ca 0.12 -0.65 -0.13 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 -0.00 -7.36 1.61 2.47 -1.85 -3.46 114.38 105.79 3pdz h ARG 51 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 3pdz h ARG 51 Cb 0.97 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.35 3pdz h ARG 51 CO 0.00 0.93 0.37 -1.50 0.56 0.00 0.00 179.97 180.33 3pdz s ILE 52 N -2.23 4.11 0.08 2.04 1.10 -1.26 -4.85 121.20 120.19 3pdz s ILE 52 Ca -0.18 0.59 -0.10 0.00 -0.51 0.00 0.00 60.65 60.45 3pdz s ILE 52 Cb -0.03 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 38.92 3pdz s ILE 52 CO 0.65 -0.85 0.21 -1.00 -2.11 0.00 0.00 174.94 171.84 3pdz s HIS 53 N -3.21 0.09 0.10 3.50 3.76 -1.26 -4.93 115.29 113.34 3pdz s HIS 53 Ca 0.56 -0.46 -0.35 0.00 -0.15 0.00 0.00 55.06 54.65 3pdz s HIS 53 Cb -0.11 -0.02 -0.18 0.00 1.11 0.00 0.00 32.58 33.38 3pdz s HIS 53 CO 0.52 -0.53 1.01 1.63 -0.85 0.00 0.00 174.74 176.51 3pdz n LYS 54 N 0.11 0.43 -2.39 1.40 5.02 -1.26 -0.77 118.16 120.70 3pdz n LYS 54 Ca -0.16 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3pdz n LYS 54 Cb 0.62 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.84 -0.41 3.72 0.72 0.00 0.75 -4.80 105.19 107.01 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 -2.02 6.66 -0.87 1.61 1.11 0.05 -4.36 116.67 118.86 3pdz s ASP 56 Ca 0.00 2.53 -0.25 0.00 0.18 0.00 0.00 52.55 55.01 3pdz s ASP 56 Cb 0.00 -2.59 0.05 0.00 1.07 0.00 0.00 42.92 41.44 3pdz s ASP 56 CO 0.00 -0.76 1.33 -0.60 1.18 0.00 0.00 175.17 176.32 3pdz s ARG 57 N 1.04 3.39 -0.40 8.23 3.52 -0.97 -3.19 118.95 130.57 3pdz s ARG 57 Ca 0.68 -0.74 -0.26 0.00 -0.13 0.00 0.00 55.73 55.28 3pdz s ARG 57 Cb -0.41 -4.76 0.02 0.00 -1.56 0.00 0.00 34.95 28.24 3pdz s ARG 57 CO 0.32 -2.14 0.93 0.14 -0.81 0.00 0.00 175.30 173.73 3pdz s VAL 58 N 5.17 4.54 -0.44 7.11 -7.23 -1.06 0.92 120.40 129.41 3pdz s VAL 58 Ca 0.39 1.02 0.13 0.00 -1.81 0.00 0.00 61.98 61.72 3pdz s VAL 58 Cb -0.05 -4.37 -0.17 0.00 0.56 0.00 0.00 36.38 32.36 3pdz s VAL 58 CO 0.02 -0.65 0.48 0.18 -0.31 0.00 0.00 175.10 174.82 3pdz n LEU 59 N 6.93 0.43 -3.71 1.32 4.77 -1.15 -3.74 117.00 121.85 3pdz n LEU 59 Ca 0.07 -0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 55.57 3pdz n LEU 59 Cb 0.48 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 3pdz n LEU 59 CO 0.60 0.11 0.11 0.00 -1.33 0.00 0.00 177.39 176.88 3pdz s ALA 60 N -2.48 -1.00 -0.27 -1.18 0.00 -0.66 0.17 121.76 116.34 3pdz s ALA 60 Ca 0.02 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 3pdz s ALA 60 Cb 0.10 -0.08 0.09 0.00 0.00 0.00 0.00 23.12 23.23 3pdz s ALA 60 CO 0.56 -0.27 0.12 0.08 0.00 0.00 0.00 175.76 176.25 3pdz s VAL 61 N -1.02 0.02 -0.90 0.00 1.01 -0.97 -1.76 120.40 116.79 3pdz s VAL 61 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3pdz s VAL 61 Cb -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3pdz s VAL 61 CO 0.05 -0.65 0.00 0.59 0.00 0.00 0.00 175.10 175.08 3pdz n ASN 62 N 5.22 -5.08 0.00 3.32 5.03 0.16 -1.66 115.26 122.25 3pdz n ASN 62 Ca -0.06 0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.60 3pdz n ASN 62 Cb 0.43 -3.32 0.00 0.00 -1.02 0.00 0.00 39.78 35.87 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 -0.54 0.99 3.43 7.41 0.00 -1.26 -5.07 105.19 110.15 3pdz n GLY 63 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 4.82 0.21 1.61 0.11 -0.66 -5.02 120.40 119.46 3pdz s VAL 64 Ca 0.00 -0.58 -0.32 0.00 -2.93 0.00 0.00 61.98 58.14 3pdz s VAL 64 Cb 0.00 -4.37 -0.13 0.00 -1.53 0.00 0.00 36.38 30.35 3pdz s VAL 64 CO 0.00 -0.92 1.52 -0.24 -3.33 0.00 0.00 175.10 172.13 3pdz n SER 65 N 6.31 3.09 0.13 3.54 2.88 -1.26 -2.30 113.62 126.01 3pdz n SER 65 Ca -0.07 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 3pdz n SER 65 Cb 0.45 -1.45 0.03 0.00 -0.75 0.00 0.00 64.21 62.49 3pdz n SER 65 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3pdz h LEU 66 N 5.21 0.00 -8.09 2.46 7.12 0.15 -3.46 115.31 118.71 3pdz h LEU 66 Ca -0.45 0.00 -0.42 0.00 0.13 0.00 0.00 57.88 57.14 3pdz h LEU 66 Cb 1.26 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.30 3pdz h LEU 66 CO 0.83 0.03 1.72 1.21 -0.13 0.00 0.00 178.44 182.11 3pdz n GLU 67 N -2.79 0.14 0.00 1.25 2.13 -1.26 -2.79 120.64 117.32 3pdz n GLU 67 Ca 0.00 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3pdz n GLU 67 Cb 0.56 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.58 3pdz n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pdz n GLY 68 N 6.15 0.78 3.57 8.31 0.00 -1.23 -5.02 105.19 117.75 3pdz n GLY 68 Ca 0.62 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.56 -2.00 0.50 4.61 0.00 -1.02 -5.01 121.76 117.27 3pdz s ALA 69 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3pdz s ALA 69 Cb 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3pdz s ALA 69 CO 0.00 -0.60 0.40 0.25 0.00 0.00 0.00 175.76 175.81 3pdz n THR 70 N -0.08 0.00 0.46 0.00 -2.24 -1.26 -4.03 114.28 107.13 3pdz n THR 70 Ca -0.02 -0.65 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 3pdz n THR 70 Cb 0.59 -1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.43 -1.10 -0.79 4.78 2.76 -1.60 -2.32 115.15 116.45 3pdz h HIS 71 Ca -0.13 -0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.21 3pdz h HIS 71 Cb 0.50 0.36 -0.04 0.00 1.55 0.00 0.00 27.41 29.78 3pdz h HIS 71 CO 0.00 -0.68 0.55 -0.22 -1.30 0.00 0.00 177.93 176.27 3pdz h LYS 72 N -1.24 0.16 0.37 5.26 3.64 -1.95 0.18 116.57 122.99 3pdz h LYS 72 Ca -0.12 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3pdz h LYS 72 Cb 0.91 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3pdz h LYS 72 CO 0.20 0.11 -0.20 0.37 -2.27 0.00 0.00 179.45 177.66 3pdz h GLN 73 N 0.17 -0.51 -0.37 1.90 4.15 -1.84 -0.52 115.11 118.10 3pdz h GLN 73 Ca 0.39 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.80 3pdz h GLN 73 Cb 1.27 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 3pdz h GLN 73 CO -0.07 -0.34 0.07 0.00 -1.93 0.00 0.00 178.83 176.57 3pdz h ALA 74 N 0.10 0.48 -0.99 3.38 0.00 -0.62 -2.00 119.26 119.61 3pdz h ALA 74 Ca -0.05 -0.20 0.33 0.00 0.00 0.00 0.00 54.91 54.99 3pdz h ALA 74 Cb 0.42 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 3pdz h ALA 74 CO 0.07 0.17 0.52 -0.24 0.00 0.00 0.00 179.25 179.77 3pdz h VAL 75 N 0.44 0.25 -0.27 0.00 3.04 -0.47 1.73 116.25 120.97 3pdz h VAL 75 Ca 0.11 -0.09 -0.06 0.00 -1.01 0.00 0.00 66.70 65.65 3pdz h VAL 75 Cb 0.33 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 3pdz h VAL 75 CO 0.00 0.05 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.22 3pdz h GLU 76 N 0.26 0.52 0.31 4.17 4.39 -0.40 -1.40 114.58 122.43 3pdz h GLU 76 Ca 0.73 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 3pdz h GLU 76 Cb 1.69 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 3pdz h GLU 76 CO -0.64 0.73 -0.15 1.79 -1.16 0.00 0.00 179.01 179.58 3pdz h THR 77 N 0.27 0.72 -0.41 1.13 1.35 0.28 1.68 112.91 117.93 3pdz h THR 77 Ca 0.07 -0.38 0.08 0.00 -0.55 0.00 0.00 66.41 65.63 3pdz h THR 77 Cb 0.53 0.93 -0.07 0.00 -1.73 0.00 0.00 68.15 67.81 3pdz h THR 77 CO 0.03 0.08 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.30 3pdz h LEU 78 N -0.62 -0.17 0.54 3.87 3.38 0.63 -2.99 115.31 119.95 3pdz h LEU 78 Ca -0.04 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3pdz h LEU 78 Cb 0.45 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.37 3pdz h LEU 78 CO 0.07 -0.05 -0.26 -0.09 0.09 0.00 0.00 178.44 178.20 3pdz h ARG 79 N 0.11 -0.70 -3.85 1.13 2.43 -1.20 -3.34 114.38 108.96 3pdz h ARG 79 Ca 0.20 0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 59.16 3pdz h ARG 79 Cb 0.29 0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3pdz h ARG 79 CO -0.34 -0.47 1.86 0.09 -1.51 0.00 0.00 179.97 179.61 3pdz n ASN 80 N -5.07 2.51 -0.01 -3.80 3.02 0.57 -4.37 115.26 108.11 3pdz n ASN 80 Ca -0.09 -2.23 -0.01 0.00 -0.03 0.00 0.00 54.58 52.22 3pdz n ASN 80 Cb 0.29 -0.82 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 4.85 0.18 0.00 3.41 -2.24 -1.23 -4.76 114.28 114.49 3pdz n THR 81 Ca 0.27 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.51 3pdz n THR 81 Cb 0.12 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 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 1.60 1.39 0.00 3.38 0.00 -1.26 -4.89 105.19 105.41 3pdz n GLY 82 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.20 1.61 10.64 -1.26 -4.01 117.38 120.15 3pdz n GLN 83 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 3pdz n GLN 83 Cb 0.00 -0.73 -0.06 0.00 -0.86 0.00 0.00 30.24 28.59 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 -0.53 3.86 -1.08 -0.39 1.01 -1.26 0.09 120.40 122.11 3pdz s VAL 84 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 3pdz s VAL 84 Cb 0.00 -3.09 0.24 0.00 0.00 0.00 0.00 36.38 33.53 3pdz s VAL 84 CO 0.00 -0.35 1.12 -0.69 0.00 0.00 0.00 175.10 175.17 3pdz s VAL 85 N -2.25 5.71 -1.04 2.92 1.01 0.42 -4.51 120.40 122.67 3pdz s VAL 85 Ca 0.32 -3.05 -0.09 0.00 0.00 0.00 0.00 61.98 59.16 3pdz s VAL 85 Cb -0.07 -4.65 0.26 0.00 0.00 0.00 0.00 36.38 31.92 3pdz s VAL 85 CO 0.22 -1.25 1.01 -2.28 0.00 0.00 0.00 175.10 172.80 3pdz s HIS 86 N -0.34 4.14 -0.28 5.22 5.04 -1.25 -0.08 115.29 127.74 3pdz s HIS 86 Ca 0.31 -2.59 -0.11 0.00 -1.54 0.00 0.00 55.06 51.13 3pdz s HIS 86 Cb -0.08 -3.78 -0.05 0.00 0.04 0.00 0.00 32.58 28.71 3pdz s HIS 86 CO -0.07 -0.94 0.18 -0.51 -2.34 0.00 0.00 174.74 171.06 3pdz s LEU 87 N -0.99 3.97 -0.55 8.88 1.43 0.15 -0.67 118.68 130.92 3pdz s LEU 87 Ca 0.28 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 3pdz s LEU 87 Cb -0.10 -2.10 0.10 0.00 0.03 0.00 0.00 46.19 44.12 3pdz s LEU 87 CO -0.08 -0.04 0.58 -0.76 0.23 0.00 0.00 176.35 176.28 3pdz s LEU 88 N 1.71 5.62 0.00 1.79 2.01 -0.72 0.19 118.68 129.29 3pdz s LEU 88 Ca 0.07 -1.46 0.00 0.00 0.01 0.00 0.00 54.13 52.75 3pdz s LEU 88 Cb -0.16 -2.28 0.00 0.00 0.01 0.00 0.00 46.19 43.77 3pdz s LEU 88 CO 0.10 -0.94 0.00 0.18 1.01 0.00 0.00 176.35 176.70 3pdz n LEU 89 N 5.80 0.00 -3.69 1.79 4.77 0.64 -1.65 117.00 124.67 3pdz n LEU 89 Ca -0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 3pdz n LEU 89 Cb 0.42 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.33 3pdz n LEU 89 CO 0.55 -0.11 -0.34 -0.70 -1.33 0.00 0.00 177.39 175.46 3pdz s GLU 90 N 1.09 -0.01 -0.74 3.23 2.12 0.26 -0.72 118.70 123.93 3pdz s GLU 90 Ca 0.00 0.34 -0.31 0.00 0.36 0.00 0.00 54.97 55.36 3pdz s GLU 90 Cb 0.00 -0.53 -0.16 0.00 0.26 0.00 0.00 34.13 33.70 3pdz s GLU 90 CO 0.00 -0.31 2.52 1.17 -0.54 0.00 0.00 175.26 178.10 3pdz n LYS 91 N 5.18 0.42 -1.86 4.30 3.00 -1.17 -2.28 118.16 125.75 3pdz n LYS 91 Ca -0.06 0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 57.87 3pdz n LYS 91 Cb 0.50 -2.16 -0.01 0.00 0.00 0.00 0.00 35.03 33.36 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 9.50 2.53 0.04 3.14 0.00 -1.26 -4.31 107.32 116.94 3pdz s GLY 92 Ca 1.21 1.50 -0.24 0.00 0.00 0.00 0.00 44.72 47.19 3pdz s GLY 92 CO 0.44 2.34 0.74 1.20 0.00 0.00 0.00 173.10 177.82 3pdz s GLN 93 N -1.16 4.47 0.61 2.90 1.11 -1.26 -4.96 119.66 121.38 3pdz s GLN 93 Ca 0.57 1.02 -0.02 0.00 0.01 0.00 0.00 55.36 56.95 3pdz s GLN 93 Cb -0.45 -3.36 0.04 0.00 -1.01 0.00 0.00 33.01 28.23 3pdz s GLN 93 CO 0.53 0.28 0.87 -1.12 0.01 0.00 0.00 175.29 175.86 3pdz s SER 94 N -0.04 5.10 0.16 5.90 0.01 -1.26 -5.01 113.70 118.56 3pdz s SER 94 Ca 0.38 0.17 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 3pdz s SER 94 Cb -0.20 -0.97 0.08 0.00 0.21 0.00 0.00 66.02 65.14 3pdz s SER 94 CO 0.22 -1.32 1.68 -0.65 0.41 0.00 0.00 173.24 173.58 3pdz h PRO 95 N -0.19 0.01 -0.03 12.44 0.11 -2.04 -3.56 132.00 138.75 3pdz h PRO 95 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3pdz h PRO 95 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3pdz h PRO 95 CO 0.55 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.60