#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 0.80 0.00 -0.52 -0.14 -1.26 -5.18 119.74 113.44 3pdz s LYS 2 Ca 0.00 0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.92 3pdz s LYS 2 Cb 0.00 0.37 0.00 0.00 -1.68 0.00 0.00 37.83 36.52 3pdz s LYS 2 CO 0.00 -0.20 0.00 -0.35 -0.76 0.00 0.00 175.35 174.04 3pdz n PRO 3 N 1.69 -0.42 0.00 -1.68 -0.04 -1.26 -4.35 135.00 128.94 3pdz n PRO 3 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3pdz n PRO 3 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 2.27 2.74 3.73 0.55 0.00 -1.26 -5.00 105.19 108.21 3pdz n GLY 4 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.18 4.59 0.01 1.61 1.01 -1.26 -4.76 116.67 115.69 3pdz s ASP 5 Ca 0.00 2.49 -0.00 0.00 0.71 0.00 0.00 52.55 55.75 3pdz s ASP 5 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3pdz s ASP 5 CO 0.00 -2.00 0.09 -0.63 0.21 0.00 0.00 175.17 172.83 3pdz s ILE 6 N -1.63 4.73 0.03 0.77 1.09 -1.26 -1.30 121.20 123.63 3pdz s ILE 6 Ca 0.79 -0.45 -0.01 0.00 -1.10 0.00 0.00 60.65 59.88 3pdz s ILE 6 Cb -0.33 -3.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.86 3pdz s ILE 6 CO 0.40 0.32 -0.02 0.72 -0.10 0.00 0.00 174.94 176.26 3pdz s PHE 7 N -1.23 0.30 0.02 3.97 -0.12 -0.41 -4.88 117.98 115.64 3pdz s PHE 7 Ca 0.24 -0.62 0.09 0.00 -0.05 0.00 0.00 56.93 56.59 3pdz s PHE 7 Cb -0.12 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 3pdz s PHE 7 CO 0.15 -0.23 -0.25 -1.83 -0.05 0.00 0.00 175.22 173.01 3pdz s GLU 8 N -1.95 1.81 -0.33 1.99 1.03 -1.26 0.15 118.70 120.14 3pdz s GLU 8 Ca -0.11 -1.02 -0.12 0.00 0.03 0.00 0.00 54.97 53.75 3pdz s GLU 8 Cb -0.06 -1.90 -0.01 0.00 -0.80 0.00 0.00 34.13 31.35 3pdz s GLU 8 CO -0.03 0.50 0.21 0.54 -1.33 0.00 0.00 175.26 175.15 3pdz s VAL 9 N -0.73 5.05 -0.97 1.83 0.11 0.48 -4.92 120.40 121.26 3pdz s VAL 9 Ca 0.10 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3pdz s VAL 9 Cb -0.10 -3.59 0.27 0.00 -1.53 0.00 0.00 36.38 31.44 3pdz s VAL 9 CO 0.01 0.02 1.12 1.21 -3.33 0.00 0.00 175.10 174.13 3pdz n GLU 10 N 5.06 3.52 -2.54 1.54 2.13 -1.22 -0.38 120.64 128.75 3pdz n GLU 10 Ca -0.13 -4.54 -0.26 0.00 0.66 0.00 0.00 57.16 52.89 3pdz n GLU 10 Cb 0.50 -2.45 0.03 0.00 0.27 0.00 0.00 31.44 29.78 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 -2.13 3.33 -0.64 4.31 2.96 0.13 -4.85 118.68 121.78 3pdz s LEU 11 Ca 0.32 0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 3pdz s LEU 11 Cb 0.01 -3.43 0.13 0.00 0.50 0.00 0.00 46.19 43.40 3pdz s LEU 11 CO -0.01 -0.98 0.70 0.00 -1.32 0.00 0.00 176.35 174.74 3pdz s ALA 12 N -2.88 3.56 0.34 5.97 0.00 -1.26 0.16 121.76 127.66 3pdz s ALA 12 Ca 0.53 -2.51 0.05 0.00 0.00 0.00 0.00 51.96 50.03 3pdz s ALA 12 Cb -0.10 -3.51 0.62 0.00 0.00 0.00 0.00 23.12 20.13 3pdz s ALA 12 CO 0.43 -2.32 1.87 -0.22 0.00 0.00 0.00 175.76 175.53 3pdz h LYS 13 N 8.88 0.48 -3.05 0.00 3.11 -1.69 -3.15 116.57 121.15 3pdz h LYS 13 Ca -0.20 -0.11 -0.71 0.00 -2.81 0.00 0.00 60.65 56.82 3pdz h LYS 13 Cb 1.08 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 32.18 3pdz h LYS 13 CO 1.04 0.53 3.01 -1.71 -2.81 0.00 0.00 179.45 179.51 3pdz n ASN 14 N -4.27 7.43 0.00 4.20 5.15 0.51 -3.43 115.26 124.85 3pdz n ASN 14 Ca 0.01 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.11 3pdz n ASN 14 Cb 0.26 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 3pdz n ASN 14 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3pdz n ASP 15 N 3.25 0.00 -3.55 1.20 -0.08 -1.23 -5.07 116.55 111.08 3pdz n ASP 15 Ca 0.65 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.79 3pdz n ASP 15 Cb 0.27 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.68 3pdz n ASP 15 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3pdz s ASN 16 N 0.00 -0.50 0.73 1.67 2.47 -1.19 -5.16 114.94 112.97 3pdz s ASN 16 Ca 0.00 0.56 -0.01 0.00 0.42 0.00 0.00 52.86 53.82 3pdz s ASN 16 Cb 0.00 0.43 0.03 0.00 -1.45 0.00 0.00 41.25 40.25 3pdz s ASN 16 CO 0.00 -0.45 0.18 -1.20 -3.72 0.00 0.00 177.10 171.90 3pdz n SER 17 N 0.85 0.10 -3.12 -4.21 7.64 -1.26 -4.28 113.62 109.34 3pdz n SER 17 Ca -0.14 -1.12 -0.12 0.00 1.01 0.00 0.00 58.87 58.50 3pdz n SER 17 Cb 0.57 -0.13 0.07 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.65 -3.43 7.99 -1.26 -1.87 117.00 115.78 3pdz n LEU 18 Ca 0.02 -0.91 -0.04 0.00 -0.01 0.00 0.00 56.01 55.07 3pdz n LEU 18 Cb 0.09 -0.36 0.12 0.00 -0.11 0.00 0.00 43.42 43.16 3pdz n LEU 18 CO 0.06 -0.80 0.59 0.61 -1.51 0.00 0.00 177.39 176.34 3pdz n GLY 19 N 1.19 1.68 3.50 -0.72 0.00 -1.26 -3.96 105.19 105.62 3pdz n GLY 19 Ca 0.08 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 0.15 3.29 -0.56 -0.61 2.07 -1.26 -1.64 121.20 122.64 3pdz s ILE 20 Ca 0.13 -0.63 -0.21 0.00 -1.41 0.00 0.00 60.65 58.54 3pdz s ILE 20 Cb 0.41 -2.33 0.07 0.00 0.13 0.00 0.00 42.46 40.74 3pdz s ILE 20 CO -0.11 0.58 0.76 -0.55 -1.91 0.00 0.00 174.94 173.71 3pdz s SER 21 N -0.59 6.23 0.26 4.50 0.15 -1.15 -4.90 113.70 118.20 3pdz s SER 21 Ca 0.09 -0.92 -0.04 0.00 0.70 0.00 0.00 55.95 55.78 3pdz s SER 21 Cb -0.11 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 3pdz s SER 21 CO 0.01 -1.10 0.50 0.68 1.20 0.00 0.00 173.24 174.54 3pdz s VAL 22 N 3.15 5.08 0.19 4.45 -7.23 -1.26 -1.20 120.40 123.58 3pdz s VAL 22 Ca 0.19 -0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.28 3pdz s VAL 22 Cb -0.19 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.03 3pdz s VAL 22 CO 0.12 -0.26 0.28 0.41 -0.31 0.00 0.00 175.10 175.33 3pdz n THR 23 N -0.81 0.00 0.00 5.32 -1.04 -1.16 -4.72 114.28 111.86 3pdz n THR 23 Ca -0.03 -0.94 0.00 0.00 -2.04 0.00 0.00 64.05 61.04 3pdz n THR 23 Cb 0.54 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 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 -0.31 3.45 5.00 3.41 0.00 -1.26 -3.20 105.19 112.27 3pdz n GLY 24 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.62 1.81 -0.02 0.00 -1.23 -2.46 105.19 103.92 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 0.91 -1.14 1.61 0.24 -1.26 -3.96 118.33 114.74 3pdz n VAL 26 Ca 0.00 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.34 61.74 3pdz n VAL 26 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3pdz n VAL 26 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3pdz n ASN 27 N 1.03 5.86 0.02 -1.34 0.23 -1.25 -3.50 115.26 116.29 3pdz n ASN 27 Ca 0.10 -2.53 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 3pdz n ASN 27 Cb 0.12 -1.35 0.00 0.00 -2.08 0.00 0.00 39.78 36.47 3pdz n ASN 27 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3pdz n THR 28 N 4.34 0.00 0.04 5.53 -1.04 -1.26 -4.95 114.28 116.93 3pdz n THR 28 Ca 0.59 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.37 3pdz n THR 28 Cb 0.24 -0.21 -0.14 0.00 -1.82 0.00 0.00 70.33 68.40 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 0.50 -2.57 8.00 0.02 -1.91 -3.48 113.55 114.12 3pdz h SER 29 Ca 0.00 -0.93 -0.20 0.00 -0.84 0.00 0.00 61.79 59.81 3pdz h SER 29 Cb 0.00 -0.16 0.10 0.00 0.14 0.00 0.00 62.40 62.47 3pdz h SER 29 CO 0.00 1.80 0.10 1.33 -1.14 0.00 0.00 176.83 178.92 3pdz n VAL 30 N -3.59 0.00 -0.34 2.27 0.24 -1.24 -4.94 118.33 110.73 3pdz n VAL 30 Ca -0.28 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.34 61.68 3pdz n VAL 30 Cb 1.04 -1.29 0.09 0.00 -1.47 0.00 0.00 33.84 32.21 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 1.21 0.00 7.34 2.43 -1.90 -3.45 114.38 120.01 3pdz h ARG 31 Ca -0.21 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3pdz h ARG 31 Cb 0.62 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3pdz h ARG 31 CO 0.14 0.82 0.00 -2.39 -1.51 0.00 0.00 179.97 177.03 3pdz n HIS 32 N -4.43 -1.36 -1.49 2.20 1.44 -1.26 -5.00 115.22 105.32 3pdz n HIS 32 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 3pdz n HIS 32 Cb 0.03 0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.41 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 -1.37 0.49 3.89 -1.39 0.00 -1.26 -3.93 105.19 101.62 3pdz n GLY 33 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.96 0.37 -0.02 0.00 -1.25 -2.42 107.32 105.95 3pdz s GLY 34 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 3pdz s GLY 34 CO 0.00 -0.23 0.68 -1.50 0.00 0.00 0.00 173.10 172.04 3pdz s ILE 35 N -2.14 4.91 -0.21 0.90 -1.16 -1.24 -3.51 121.20 118.75 3pdz s ILE 35 Ca 0.47 0.29 -0.05 0.00 -0.51 0.00 0.00 60.65 60.86 3pdz s ILE 35 Cb -0.11 -3.76 0.07 0.00 0.61 0.00 0.00 42.46 39.28 3pdz s ILE 35 CO 0.29 -0.48 0.11 -0.31 -2.81 0.00 0.00 174.94 171.73 3pdz s TYR 36 N -2.30 0.21 0.53 3.50 1.51 -1.19 -2.75 117.35 116.86 3pdz s TYR 36 Ca 0.47 -0.48 -0.21 0.00 -1.01 0.00 0.00 57.07 55.85 3pdz s TYR 36 Cb -0.10 -0.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.93 3pdz s TYR 36 CO 0.33 -0.62 1.06 1.33 -1.11 0.00 0.00 175.55 176.54 3pdz n VAL 37 N 5.27 3.30 -0.04 0.71 0.24 -1.20 -3.00 118.33 123.60 3pdz n VAL 37 Ca -0.07 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 61.58 3pdz n VAL 37 Cb 0.47 -1.26 -0.13 0.00 -1.47 0.00 0.00 33.84 31.44 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 1.03 0.07 -2.02 7.34 2.10 -1.44 2.34 116.57 125.99 3pdz h LYS 38 Ca -0.48 -0.13 0.26 0.00 -2.00 0.00 0.00 60.65 58.30 3pdz h LYS 38 Cb 1.34 0.05 -0.08 0.00 -0.90 0.00 0.00 32.23 32.64 3pdz h LYS 38 CO 0.54 1.06 0.71 0.00 -2.00 0.00 0.00 179.45 179.77 3pdz s ALA 39 N -2.28 -2.01 -0.42 0.07 0.00 -1.15 -4.33 121.76 111.65 3pdz s ALA 39 Ca -0.18 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 3pdz s ALA 39 Cb -0.02 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.74 3pdz s ALA 39 CO 0.72 -1.07 0.42 0.14 0.00 0.00 0.00 175.76 175.97 3pdz s VAL 40 N -2.47 5.10 -0.30 0.00 -7.23 -1.26 -2.92 120.40 111.33 3pdz s VAL 40 Ca 0.19 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.69 3pdz s VAL 40 Cb 0.01 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 32.93 3pdz s VAL 40 CO 0.00 -0.41 1.15 -0.63 -0.31 0.00 0.00 175.10 174.91 3pdz s ILE 41 N 2.09 4.39 -0.16 -0.62 1.09 -0.65 -4.89 121.20 122.44 3pdz s ILE 41 Ca 0.11 1.61 -0.01 0.00 -1.10 0.00 0.00 60.65 61.26 3pdz s ILE 41 Cb -0.17 -4.30 -0.01 0.00 -1.06 0.00 0.00 42.46 36.92 3pdz s ILE 41 CO 0.13 -0.44 1.20 -2.65 -0.10 0.00 0.00 174.94 173.08 3pdz n PRO 42 N 6.95 0.37 0.00 2.79 -0.02 -1.26 -3.09 135.00 140.74 3pdz n PRO 42 Ca 0.13 -0.67 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 3pdz n PRO 42 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3pdz n PRO 42 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3pdz n GLN 43 N 4.85 0.00 -2.38 -0.52 6.02 -1.26 -5.05 117.38 119.03 3pdz n GLN 43 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.82 3pdz n GLN 43 Cb 0.02 -0.07 0.05 0.00 1.02 0.00 0.00 30.24 31.26 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 -3.49 1.70 0.25 1.08 0.00 -1.18 -4.94 107.32 100.73 3pdz s GLY 44 Ca 0.00 -0.99 0.15 0.00 0.00 0.00 0.00 44.72 43.88 3pdz s GLY 44 CO 0.00 -0.65 1.41 0.00 0.00 0.00 0.00 173.10 173.86 3pdz n ALA 45 N -2.68 0.90 0.13 3.20 0.00 -0.78 -2.42 120.51 118.87 3pdz n ALA 45 Ca 0.07 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 3pdz n ALA 45 Cb 0.60 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 1.75 -0.42 -0.80 0.00 0.00 -1.82 -2.73 119.26 115.24 3pdz h ALA 46 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3pdz h ALA 46 Cb 0.17 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3pdz h ALA 46 CO 0.00 -0.43 0.49 1.05 0.00 0.00 0.00 179.25 180.36 3pdz h GLU 47 N -1.02 0.89 0.00 0.00 -0.00 -1.65 0.99 114.58 113.78 3pdz h GLU 47 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 3pdz h GLU 47 Cb 0.46 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 3pdz h GLU 47 CO 0.07 0.59 0.00 0.45 -0.00 0.00 0.00 179.01 180.12 3pdz n SER 48 N -4.65 0.00 -0.33 3.06 2.88 -1.13 -2.60 113.62 110.86 3pdz n SER 48 Ca 0.11 0.93 -0.01 0.00 -1.33 0.00 0.00 58.87 58.57 3pdz n SER 48 Cb 0.15 -0.43 0.13 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.96 -1.01 -3.46 5.19 -1.47 -3.47 116.42 113.17 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 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.30 3pdz h ASP 49 CO 0.00 0.65 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 3pdz n GLY 50 N -1.34 0.94 0.08 2.75 0.00 0.34 -5.00 105.19 102.96 3pdz n GLY 50 Ca 0.12 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 0.10 -7.35 1.61 2.47 -1.85 -3.46 114.38 105.89 3pdz h ARG 51 Ca 0.00 -0.17 -0.50 0.00 -1.26 0.00 0.00 59.98 58.05 3pdz h ARG 51 Cb 0.96 0.06 0.06 0.00 -1.65 0.00 0.00 29.97 29.41 3pdz h ARG 51 CO 0.00 1.08 0.37 -1.50 0.56 0.00 0.00 179.97 180.48 3pdz s ILE 52 N -2.30 4.18 0.07 2.04 1.10 -1.26 -4.86 121.20 120.16 3pdz s ILE 52 Ca -0.17 0.60 -0.10 0.00 -0.51 0.00 0.00 60.65 60.47 3pdz s ILE 52 Cb -0.02 -3.69 0.00 0.00 0.15 0.00 0.00 42.46 38.91 3pdz s ILE 52 CO 0.74 -0.88 0.21 -1.00 -2.11 0.00 0.00 174.94 171.91 3pdz s HIS 53 N -3.20 0.07 0.07 3.50 3.76 -1.26 -4.93 115.29 113.30 3pdz s HIS 53 Ca 0.55 -0.39 -0.37 0.00 -0.15 0.00 0.00 55.06 54.71 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 -0.51 1.04 1.63 -0.85 0.00 0.00 174.74 176.57 3pdz n LYS 54 N 0.26 0.33 -2.50 1.40 5.02 -1.26 -0.70 118.16 120.71 3pdz n LYS 54 Ca -0.17 0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 3pdz n LYS 54 Cb 0.61 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 34.05 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 1.80 -0.50 3.71 0.72 0.00 0.79 -4.81 105.19 106.90 3pdz n GLY 55 Ca 0.19 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.07 6.66 -0.82 1.61 1.11 0.12 -4.39 116.67 118.90 3pdz s ASP 56 Ca 0.02 2.51 -0.25 0.00 0.18 0.00 0.00 52.55 55.01 3pdz s ASP 56 Cb -0.01 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.43 3pdz s ASP 56 CO 0.03 -0.78 1.30 -0.13 1.18 0.00 0.00 175.17 176.77 3pdz s ARG 57 N 1.25 3.31 -0.37 8.23 0.52 -1.13 -3.24 118.95 127.52 3pdz s ARG 57 Ca 0.69 -0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 55.08 3pdz s ARG 57 Cb -0.41 -4.54 0.01 0.00 0.52 0.00 0.00 34.95 30.53 3pdz s ARG 57 CO 0.31 -2.13 0.81 0.14 0.02 0.00 0.00 175.30 174.44 3pdz s VAL 58 N 5.32 4.70 -0.24 3.52 -7.23 -1.11 0.13 120.40 125.48 3pdz s VAL 58 Ca 0.37 0.89 0.14 0.00 -1.81 0.00 0.00 61.98 61.58 3pdz s VAL 58 Cb -0.06 -4.24 -0.20 0.00 0.56 0.00 0.00 36.38 32.44 3pdz s VAL 58 CO 0.07 -0.47 0.41 0.18 -0.31 0.00 0.00 175.10 174.97 3pdz n LEU 59 N 6.50 0.23 -3.79 1.32 4.77 -1.04 -3.71 117.00 121.29 3pdz n LEU 59 Ca 0.04 -0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3pdz n LEU 59 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3pdz n LEU 59 CO 0.55 0.06 -0.04 0.00 -1.33 0.00 0.00 177.39 176.63 3pdz s ALA 60 N -2.74 -0.67 -0.28 -1.18 0.00 0.01 0.16 121.76 117.07 3pdz s ALA 60 Ca -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 3pdz s ALA 60 Cb 0.10 -0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.27 3pdz s ALA 60 CO 0.58 -0.22 0.12 0.08 0.00 0.00 0.00 175.76 176.32 3pdz s VAL 61 N -1.00 0.04 -0.99 0.00 1.01 -0.88 -0.94 120.40 117.64 3pdz s VAL 61 Ca -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3pdz s VAL 61 Cb -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3pdz s VAL 61 CO 0.03 -0.67 0.00 0.59 0.00 0.00 0.00 175.10 175.04 3pdz n ASN 62 N 5.21 -5.02 0.00 3.32 5.03 0.11 -1.72 115.26 122.18 3pdz n ASN 62 Ca -0.06 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.62 3pdz n ASN 62 Cb 0.43 -3.34 0.00 0.00 -1.02 0.00 0.00 39.78 35.85 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 -0.65 0.91 3.48 7.41 0.00 -1.26 -5.07 105.19 110.01 3pdz n GLY 63 Ca -0.09 0.00 -0.43 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 4.91 0.32 1.61 0.11 -0.70 -5.03 120.40 119.61 3pdz s VAL 64 Ca 0.00 -0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 58.54 3pdz s VAL 64 Cb 0.00 -4.20 -0.12 0.00 -1.53 0.00 0.00 36.38 30.53 3pdz s VAL 64 CO 0.00 -0.63 1.40 -1.20 -3.33 0.00 0.00 175.10 171.34 3pdz n SER 65 N 6.07 3.12 -0.00 3.54 7.64 -1.26 -2.07 113.62 130.66 3pdz n SER 65 Ca -0.05 1.19 0.07 0.00 1.01 0.00 0.00 58.87 61.09 3pdz n SER 65 Cb 0.47 -1.51 -0.14 0.00 -1.01 0.00 0.00 64.21 62.02 3pdz n SER 65 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3pdz n LEU 66 N 1.22 0.19 -4.42 -3.43 -0.00 0.42 -4.90 117.00 106.07 3pdz n LEU 66 Ca 0.06 0.08 -0.49 0.00 -0.00 0.00 0.00 56.01 55.66 3pdz n LEU 66 Cb 0.36 0.07 -0.10 0.00 -0.00 0.00 0.00 43.42 43.75 3pdz n LEU 66 CO 0.63 0.05 1.92 -0.62 -0.00 0.00 0.00 177.39 179.38 3pdz n GLU 67 N -2.44 0.52 0.00 1.96 4.71 -1.26 -3.11 120.64 121.03 3pdz n GLU 67 Ca -0.08 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 3pdz n GLU 67 Cb 0.67 -2.10 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 3pdz n GLU 67 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3pdz n GLY 68 N 6.71 0.79 3.60 0.62 0.00 -1.24 -5.00 105.19 110.66 3pdz n GLY 68 Ca 0.51 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.57 -2.03 0.46 4.61 0.00 -1.02 -5.02 121.76 117.19 3pdz s ALA 69 Ca 0.00 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 3pdz s ALA 69 Cb 0.00 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3pdz s ALA 69 CO 0.00 -0.77 0.20 0.25 0.00 0.00 0.00 175.76 175.44 3pdz n THR 70 N -0.25 0.00 0.45 0.00 -2.24 -1.26 -4.09 114.28 106.89 3pdz n THR 70 Ca -0.04 -0.32 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 3pdz n THR 70 Cb 0.60 -1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.07 -0.85 4.78 2.76 -1.65 -2.50 115.15 116.19 3pdz h HIS 71 Ca -0.07 -0.03 0.19 0.00 -2.20 0.00 0.00 60.37 58.27 3pdz h HIS 71 Cb 0.25 0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 3pdz h HIS 71 CO 0.00 -0.66 0.57 -0.22 -1.30 0.00 0.00 177.93 176.32 3pdz h LYS 72 N -1.26 0.36 0.04 5.26 3.64 -1.94 0.36 116.57 123.03 3pdz h LYS 72 Ca -0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3pdz h LYS 72 Cb 0.89 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3pdz h LYS 72 CO 0.19 0.24 -0.05 1.96 -2.27 0.00 0.00 179.45 179.53 3pdz h GLN 73 N 0.37 -0.10 -0.28 1.90 4.20 -1.87 -1.07 115.11 118.26 3pdz h GLN 73 Ca 0.43 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 59.10 3pdz h GLN 73 Cb 1.11 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3pdz h GLN 73 CO -0.14 -0.07 -0.00 0.00 -0.67 0.00 0.00 178.83 177.95 3pdz h ALA 74 N 0.85 0.38 -0.99 3.87 0.00 -0.62 -2.45 119.26 120.30 3pdz h ALA 74 Ca 0.01 -0.23 0.35 0.00 0.00 0.00 0.00 54.91 55.03 3pdz h ALA 74 Cb 0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 3pdz h ALA 74 CO -0.02 0.12 0.52 -0.24 0.00 0.00 0.00 179.25 179.64 3pdz h VAL 75 N 0.28 0.20 -0.28 0.00 3.04 -0.02 1.69 116.25 121.16 3pdz h VAL 75 Ca 0.08 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.64 3pdz h VAL 75 Cb 0.43 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 3pdz h VAL 75 CO 0.02 0.04 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.23 3pdz h GLU 76 N 0.20 0.53 0.27 4.17 5.08 -0.75 -1.34 114.58 122.75 3pdz h GLU 76 Ca 0.76 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 3pdz h GLU 76 Cb 1.81 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3pdz h GLU 76 CO -0.67 0.73 -0.13 1.79 -1.00 0.00 0.00 179.01 179.72 3pdz h THR 77 N 0.29 0.77 -0.41 1.13 1.35 0.26 1.42 112.91 117.72 3pdz h THR 77 Ca 0.07 -0.41 0.07 0.00 -0.55 0.00 0.00 66.41 65.60 3pdz h THR 77 Cb 0.53 1.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.88 3pdz h THR 77 CO 0.03 0.09 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.31 3pdz h LEU 78 N -0.58 -0.17 0.54 3.87 3.38 0.20 -2.96 115.31 119.59 3pdz h LEU 78 Ca -0.04 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3pdz h LEU 78 Cb 0.42 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3pdz h LEU 78 CO 0.06 -0.05 -0.26 -0.09 0.09 0.00 0.00 178.44 178.20 3pdz h ARG 79 N 0.10 -0.69 -4.00 1.13 2.43 -1.19 -3.34 114.38 108.83 3pdz h ARG 79 Ca 0.20 0.05 -0.32 0.00 -0.81 0.00 0.00 59.98 59.10 3pdz h ARG 79 Cb 0.29 0.16 0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3pdz h ARG 79 CO -0.34 -0.42 1.86 0.09 -1.51 0.00 0.00 179.97 179.65 3pdz n ASN 80 N -5.26 2.37 0.00 -3.80 4.13 0.49 -4.44 115.26 108.74 3pdz n ASN 80 Ca -0.10 -2.29 0.00 0.00 1.68 0.00 0.00 54.58 53.87 3pdz n ASN 80 Cb 0.30 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 37.72 3pdz n ASN 80 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3pdz n THR 81 N 5.12 0.00 0.00 3.41 -2.24 -1.24 -4.78 114.28 114.55 3pdz n THR 81 Ca 0.31 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.54 3pdz n THR 81 Cb 0.17 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 1.78 1.30 0.00 3.38 0.00 -1.26 -4.87 105.19 105.52 3pdz n GLY 82 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3pdz n GLY 82 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3pdz n GLN 83 N 0.00 0.00 -4.22 1.61 3.00 -1.26 -3.88 117.38 112.63 3pdz n GLN 83 Ca 0.00 0.11 -0.23 0.00 -0.01 0.00 0.00 57.00 56.86 3pdz n GLN 83 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 30.24 29.20 3pdz n GLN 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3pdz s VAL 84 N -1.10 3.83 -1.14 5.09 1.01 -1.26 0.19 120.40 127.02 3pdz s VAL 84 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 61.98 60.22 3pdz s VAL 84 Cb 0.00 -3.03 0.26 0.00 0.00 0.00 0.00 36.38 33.61 3pdz s VAL 84 CO 0.00 -0.32 1.18 0.52 0.00 0.00 0.00 175.10 176.48 3pdz n VAL 85 N -0.85 4.53 -3.35 2.92 0.31 0.43 -4.54 118.33 117.77 3pdz n VAL 85 Ca -0.07 -5.27 -0.45 0.00 -0.01 0.00 0.00 64.34 58.53 3pdz n VAL 85 Cb 0.58 -2.56 -0.01 0.00 -0.91 0.00 0.00 33.84 30.93 3pdz n VAL 85 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3pdz s HIS 86 N -0.79 4.05 -0.30 3.52 5.04 -1.25 0.18 115.29 125.74 3pdz s HIS 86 Ca 0.33 -2.43 -0.11 0.00 -1.54 0.00 0.00 55.06 51.31 3pdz s HIS 86 Cb -0.09 -3.80 -0.03 0.00 0.04 0.00 0.00 32.58 28.70 3pdz s HIS 86 CO -0.06 -0.96 0.19 -0.51 -2.34 0.00 0.00 174.74 171.06 3pdz s LEU 87 N -0.70 4.16 -0.61 8.88 1.43 0.49 0.05 118.68 132.39 3pdz s LEU 87 Ca 0.25 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.88 3pdz s LEU 87 Cb -0.10 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.13 3pdz s LEU 87 CO -0.08 -0.14 0.77 -0.76 0.23 0.00 0.00 176.35 176.37 3pdz s LEU 88 N 1.70 5.10 0.00 1.79 1.02 -0.11 0.18 118.68 128.36 3pdz s LEU 88 Ca 0.06 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 52.92 3pdz s LEU 88 Cb -0.17 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.70 3pdz s LEU 88 CO 0.09 -1.20 0.00 0.18 0.02 0.00 0.00 176.35 175.44 3pdz n LEU 89 N 6.71 0.00 -3.98 1.79 4.77 0.40 -0.81 117.00 125.88 3pdz n LEU 89 Ca -0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 3pdz n LEU 89 Cb 0.43 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 3pdz n LEU 89 CO 0.60 -0.11 -0.37 -0.70 -1.33 0.00 0.00 177.39 175.48 3pdz s GLU 90 N 1.31 0.31 -0.19 3.23 2.12 0.35 -1.29 118.70 124.54 3pdz s GLU 90 Ca 0.00 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 3pdz s GLU 90 Cb 0.00 -0.00 -0.08 0.00 0.26 0.00 0.00 34.13 34.31 3pdz s GLU 90 CO 0.00 -0.02 2.12 1.17 -0.54 0.00 0.00 175.26 177.99 3pdz n LYS 91 N 1.84 1.94 -2.13 4.30 3.00 -0.42 -2.83 118.16 123.86 3pdz n LYS 91 Ca -0.22 0.61 -0.29 0.00 -0.00 0.00 0.00 58.31 58.41 3pdz n LYS 91 Cb 0.56 -2.92 -0.05 0.00 0.00 0.00 0.00 35.03 32.62 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 6.75 0.35 0.12 3.14 0.00 -1.26 -4.62 107.32 111.80 3pdz s GLY 92 Ca 1.00 -1.74 -0.23 0.00 0.00 0.00 0.00 44.72 43.75 3pdz s GLY 92 CO 0.42 3.38 0.68 -0.86 0.00 0.00 0.00 173.10 176.72 3pdz s GLN 93 N 6.60 4.40 0.31 2.90 -2.07 -1.26 -4.97 119.66 125.57 3pdz s GLN 93 Ca 0.66 0.97 -0.30 0.00 -1.82 0.00 0.00 55.36 54.88 3pdz s GLN 93 Cb -0.05 -3.25 -0.11 0.00 -1.09 0.00 0.00 33.01 28.51 3pdz s GLN 93 CO 0.00 0.60 1.58 -1.54 -1.32 0.00 0.00 175.29 174.62 3pdz s SER 94 N -1.12 6.34 -0.34 12.60 1.04 -1.26 -4.84 113.70 126.13 3pdz s SER 94 Ca 0.33 2.99 -0.33 0.00 0.48 0.00 0.00 55.95 59.42 3pdz s SER 94 Cb -0.21 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.17 3pdz s SER 94 CO 0.23 -0.92 2.23 -2.65 0.98 0.00 0.00 173.24 173.10 3pdz n PRO 95 N 1.81 1.27 0.00 4.02 -0.02 -1.26 -5.21 135.00 135.61 3pdz n PRO 95 Ca 0.07 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 3pdz n PRO 95 Cb 0.38 -2.69 0.18 0.00 -0.02 0.00 0.00 33.50 31.34 3pdz n PRO 95 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73