#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 1.03 0.57 -0.52 1.02 -1.26 -5.11 119.74 115.47 3pdz s LYS 2 Ca 0.00 -0.83 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 3pdz s LYS 2 Cb 0.00 0.43 -0.07 0.00 -0.52 0.00 0.00 37.83 37.67 3pdz s LYS 2 CO 0.00 -0.38 0.83 -2.30 -0.92 0.00 0.00 175.35 172.58 3pdz n PRO 3 N -0.18 0.83 0.00 -1.68 -0.02 -1.26 -1.56 135.00 131.13 3pdz n PRO 3 Ca -0.15 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3pdz n PRO 3 Cb 0.63 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.43 2.80 3.61 -1.23 0.00 -1.26 -4.98 105.19 105.56 3pdz n GLY 4 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3pdz n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pdz s ASP 5 N -0.42 2.22 0.02 1.61 -1.08 -0.60 -4.71 116.67 113.72 3pdz s ASP 5 Ca 0.00 1.84 -0.01 0.00 -0.52 0.00 0.00 52.55 53.86 3pdz s ASP 5 Cb 0.00 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 3pdz s ASP 5 CO 0.00 -3.48 0.15 -0.63 0.52 0.00 0.00 175.17 171.73 3pdz s ILE 6 N -2.61 5.10 0.12 4.11 1.09 -1.26 -2.20 121.20 125.54 3pdz s ILE 6 Ca 0.67 -0.38 -0.01 0.00 -1.10 0.00 0.00 60.65 59.83 3pdz s ILE 6 Cb -0.23 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 3pdz s ILE 6 CO 0.60 0.25 0.05 0.72 -0.10 0.00 0.00 174.94 176.47 3pdz s PHE 7 N -1.35 0.78 0.02 3.97 -0.12 -0.21 -4.89 117.98 116.19 3pdz s PHE 7 Ca 0.28 -1.19 0.05 0.00 -0.05 0.00 0.00 56.93 56.02 3pdz s PHE 7 Cb -0.12 -0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 3pdz s PHE 7 CO 0.20 -0.50 -0.14 -1.83 -0.05 0.00 0.00 175.22 172.91 3pdz s GLU 8 N -4.02 0.97 -0.31 1.99 -1.05 -1.26 0.18 118.70 115.21 3pdz s GLU 8 Ca 0.21 -0.67 -0.11 0.00 -0.15 0.00 0.00 54.97 54.25 3pdz s GLU 8 Cb 0.07 -0.96 -0.02 0.00 -0.44 0.00 0.00 34.13 32.77 3pdz s GLU 8 CO -0.01 0.25 0.19 0.54 0.95 0.00 0.00 175.26 177.18 3pdz s VAL 9 N -0.68 5.06 -0.95 1.83 0.11 0.64 -4.92 120.40 121.48 3pdz s VAL 9 Ca 0.03 -0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 3pdz s VAL 9 Cb -0.07 -3.53 0.29 0.00 -1.53 0.00 0.00 36.38 31.54 3pdz s VAL 9 CO 0.01 0.10 1.24 1.21 -3.33 0.00 0.00 175.10 174.32 3pdz n GLU 10 N 5.05 3.83 -2.52 1.54 2.13 -1.23 -0.47 120.64 128.96 3pdz n GLU 10 Ca -0.14 -4.58 -0.26 0.00 0.66 0.00 0.00 57.16 52.84 3pdz n GLU 10 Cb 0.50 -2.44 0.03 0.00 0.27 0.00 0.00 31.44 29.80 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 -2.59 3.32 -0.75 4.31 2.96 0.63 -4.87 118.68 121.69 3pdz s LEU 11 Ca 0.33 0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 54.69 3pdz s LEU 11 Cb 0.06 -3.46 0.15 0.00 0.50 0.00 0.00 46.19 43.45 3pdz s LEU 11 CO 0.06 -0.99 0.81 0.00 -1.32 0.00 0.00 176.35 174.91 3pdz s ALA 12 N -2.89 3.67 0.47 5.97 0.00 -1.26 0.15 121.76 127.87 3pdz s ALA 12 Ca 0.53 -2.78 0.16 0.00 0.00 0.00 0.00 51.96 49.87 3pdz s ALA 12 Cb -0.10 -3.62 1.15 0.00 0.00 0.00 0.00 23.12 20.55 3pdz s ALA 12 CO 0.44 -2.44 2.03 -0.22 0.00 0.00 0.00 175.76 175.57 3pdz h LYS 13 N 8.56 0.23 -6.50 0.00 3.11 -1.67 -3.35 116.57 116.95 3pdz h LYS 13 Ca -0.04 -0.01 -0.53 0.00 -2.81 0.00 0.00 60.65 57.25 3pdz h LYS 13 Cb 1.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.20 3pdz h LYS 13 CO 0.97 0.15 0.15 1.21 -2.81 0.00 0.00 179.45 179.12 3pdz s ASN 14 N -6.49 7.33 0.00 4.20 2.47 0.31 -3.60 114.94 119.16 3pdz s ASN 14 Ca -0.06 1.59 0.00 0.00 0.42 0.00 0.00 52.86 54.81 3pdz s ASN 14 Cb 0.19 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3pdz s ASN 14 CO 0.72 0.20 0.00 0.47 -3.72 0.00 0.00 177.10 174.77 3pdz n ASP 15 N 1.51 0.00 -3.64 -4.21 8.00 -1.26 -4.92 116.55 112.04 3pdz n ASP 15 Ca -0.06 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 3pdz n ASP 15 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 3pdz n ASP 15 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3pdz s ASN 16 N -3.18 -0.60 0.00 -2.24 0.01 -1.24 -5.15 114.94 102.54 3pdz s ASN 16 Ca 0.00 1.07 0.00 0.00 -0.71 0.00 0.00 52.86 53.22 3pdz s ASN 16 Cb 0.00 1.15 0.00 0.00 0.41 0.00 0.00 41.25 42.81 3pdz s ASN 16 CO 0.00 -0.18 0.00 -1.20 -1.51 0.00 0.00 177.10 174.21 3pdz n SER 17 N 2.98 0.00 -1.90 -1.22 7.64 -1.26 -4.14 113.62 115.72 3pdz n SER 17 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 3pdz n SER 17 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.07 -3.43 7.99 -1.26 -3.26 117.00 115.97 3pdz n LEU 18 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 3pdz n LEU 18 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 3pdz n LEU 18 CO 0.00 -0.45 0.29 0.61 -1.51 0.00 0.00 177.39 176.33 3pdz n GLY 19 N 5.00 0.35 3.48 -0.72 0.00 -1.26 -3.18 105.19 108.87 3pdz n GLY 19 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.01 3.09 -0.48 -0.61 2.07 -1.26 0.19 121.20 124.21 3pdz s ILE 20 Ca 0.01 -0.77 -0.18 0.00 -1.41 0.00 0.00 60.65 58.30 3pdz s ILE 20 Cb 0.05 -2.23 0.06 0.00 0.13 0.00 0.00 42.46 40.46 3pdz s ILE 20 CO -0.01 0.55 0.52 -0.55 -1.91 0.00 0.00 174.94 173.54 3pdz s SER 21 N -0.86 6.20 0.17 4.50 0.15 -0.35 -4.86 113.70 118.64 3pdz s SER 21 Ca 0.12 -0.99 -0.07 0.00 0.70 0.00 0.00 55.95 55.72 3pdz s SER 21 Cb -0.11 -2.25 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 3pdz s SER 21 CO 0.02 -0.76 0.45 0.68 1.20 0.00 0.00 173.24 174.82 3pdz s VAL 22 N 2.24 5.07 0.37 4.45 -7.23 -1.26 -0.19 120.40 123.85 3pdz s VAL 22 Ca 0.11 0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.48 3pdz s VAL 22 Cb -0.20 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.13 3pdz s VAL 22 CO 0.11 0.02 0.55 1.07 -0.31 0.00 0.00 175.10 176.54 3pdz n THR 23 N 0.07 0.00 0.00 5.32 5.66 -1.15 -4.70 114.28 119.47 3pdz n THR 23 Ca -0.02 -1.71 0.00 0.00 -3.05 0.00 0.00 64.05 59.27 3pdz n THR 23 Cb 0.52 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 3pdz n THR 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3pdz n GLY 24 N -0.59 2.20 5.00 1.09 0.00 -1.26 -3.20 105.19 108.43 3pdz n GLY 24 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.16 1.46 -0.02 0.00 -1.23 -2.50 105.19 103.05 3pdz n GLY 25 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.71 -1.12 1.61 0.24 -1.26 -3.94 118.33 114.57 3pdz n VAL 26 Ca 0.00 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.34 61.75 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 0.91 6.02 0.10 -1.34 0.23 -1.25 -3.78 115.26 116.14 3pdz n ASN 27 Ca 0.07 -2.51 0.00 0.00 -0.53 0.00 0.00 54.58 51.61 3pdz n ASN 27 Cb 0.13 -1.34 0.00 0.00 -2.08 0.00 0.00 39.78 36.49 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 4.26 0.00 -0.02 5.53 -1.04 -1.26 -4.95 114.28 116.79 3pdz n THR 28 Ca 0.59 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.47 3pdz n THR 28 Cb 0.23 -0.10 -0.09 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.11 -2.49 8.00 0.87 -1.92 -3.46 113.55 114.66 3pdz h SER 29 Ca 0.00 -0.47 -0.19 0.00 -1.23 0.00 0.00 61.79 59.90 3pdz h SER 29 Cb 0.00 -0.03 0.09 0.00 -0.44 0.00 0.00 62.40 62.02 3pdz h SER 29 CO 0.00 0.56 0.09 1.33 -0.53 0.00 0.00 176.83 178.28 3pdz n VAL 30 N -4.78 0.00 0.00 2.23 0.24 -1.25 -4.95 118.33 109.83 3pdz n VAL 30 Ca -0.08 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3pdz n VAL 30 Cb 0.28 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 3pdz n VAL 30 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3pdz n ARG 31 N -2.83 0.00 0.00 7.34 5.12 -1.26 -4.80 116.66 120.23 3pdz n ARG 31 Ca 0.07 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 3pdz n ARG 31 Cb 0.27 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3pdz n ARG 31 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3pdz n HIS 32 N -1.61 0.00 -1.67 -1.55 1.44 -1.26 -4.84 115.22 105.74 3pdz n HIS 32 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 3pdz n HIS 32 Cb 0.00 0.18 -0.02 0.00 0.12 0.00 0.00 29.99 30.27 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 2.14 0.38 3.89 -1.39 0.00 -1.26 -3.91 105.19 105.04 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 -0.24 1.97 0.28 -0.02 0.00 -1.25 -1.66 107.32 106.40 3pdz s GLY 34 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.26 3pdz s GLY 34 CO 0.00 -0.27 0.55 -1.50 0.00 0.00 0.00 173.10 171.88 3pdz s ILE 35 N -2.10 5.02 -0.16 0.90 -1.16 -1.24 -3.58 121.20 118.87 3pdz s ILE 35 Ca 0.47 0.09 -0.05 0.00 -0.51 0.00 0.00 60.65 60.65 3pdz s ILE 35 Cb -0.11 -3.72 0.06 0.00 0.61 0.00 0.00 42.46 39.30 3pdz s ILE 35 CO 0.28 -0.29 0.08 -0.31 -2.81 0.00 0.00 174.94 171.90 3pdz s TYR 36 N -2.05 0.25 0.82 3.50 1.51 -1.19 -2.63 117.35 117.56 3pdz s TYR 36 Ca 0.44 -0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 56.06 3pdz s TYR 36 Cb -0.11 -0.70 0.05 0.00 -0.11 0.00 0.00 41.96 41.09 3pdz s TYR 36 CO 0.29 -0.49 0.89 1.33 -1.11 0.00 0.00 175.55 176.46 3pdz n VAL 37 N 5.26 1.47 -0.07 0.71 0.24 -1.19 -2.95 118.33 121.79 3pdz n VAL 37 Ca -0.07 -0.24 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 3pdz n VAL 37 Cb 0.49 -0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 31.77 3pdz n VAL 37 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3pdz n LYS 38 N -2.44 0.63 -3.63 7.34 0.00 0.74 0.15 118.16 120.95 3pdz n LYS 38 Ca 0.11 0.47 -0.02 0.00 0.00 0.00 0.00 58.31 58.87 3pdz n LYS 38 Cb 0.51 -1.73 -0.01 0.00 0.00 0.00 0.00 35.03 33.80 3pdz n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3pdz s ALA 39 N -2.43 -2.04 -0.27 3.14 0.00 -0.93 -4.38 121.76 114.85 3pdz s ALA 39 Ca -0.27 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 3pdz s ALA 39 Cb 0.06 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3pdz s ALA 39 CO 0.64 -0.91 0.31 0.14 0.00 0.00 0.00 175.76 175.94 3pdz s VAL 40 N -2.67 5.22 -0.48 0.00 -7.23 -1.26 -1.22 120.40 112.77 3pdz s VAL 40 Ca 0.12 0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 3pdz s VAL 40 Cb 0.02 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.34 3pdz s VAL 40 CO -0.03 0.19 1.24 -0.63 -0.31 0.00 0.00 175.10 175.56 3pdz s ILE 41 N 1.96 4.07 -0.51 -0.62 -1.09 0.51 -4.79 121.20 120.74 3pdz s ILE 41 Ca 0.12 1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 59.47 3pdz s ILE 41 Cb -0.16 -4.49 -0.12 0.00 -1.58 0.00 0.00 42.46 36.10 3pdz s ILE 41 CO 0.10 -0.99 1.71 -0.81 -1.23 0.00 0.00 174.94 173.73 3pdz n PRO 42 N 8.04 1.09 0.00 2.79 -0.04 -1.26 -2.42 135.00 143.19 3pdz n PRO 42 Ca 0.13 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 3pdz n PRO 42 Cb 0.49 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 5.79 0.00 -3.13 0.54 6.02 -1.26 -4.94 117.38 120.39 3pdz n GLN 43 Ca 0.36 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 57.03 3pdz n GLN 43 Cb 0.22 -0.01 -0.05 0.00 1.02 0.00 0.00 30.24 31.43 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 -1.67 2.18 0.55 1.08 0.00 -1.02 -4.86 107.32 103.58 3pdz s GLY 44 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.60 3pdz s GLY 44 CO 0.00 0.05 0.95 0.00 0.00 0.00 0.00 173.10 174.10 3pdz h ALA 45 N 2.00 1.80 -0.49 3.20 0.00 -1.52 -2.05 119.26 122.20 3pdz h ALA 45 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3pdz h ALA 45 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3pdz h ALA 45 CO 0.66 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3pdz n ALA 46 N -1.43 -0.17 -0.25 0.00 0.00 -1.26 -2.06 120.51 115.33 3pdz n ALA 46 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3pdz n ALA 46 Cb 0.89 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.60 3pdz n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3pdz h GLU 47 N 0.00 0.94 0.15 0.00 4.22 -1.46 0.74 114.58 119.16 3pdz h GLU 47 Ca 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 3pdz h GLU 47 Cb 0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3pdz h GLU 47 CO 0.00 0.62 -0.19 0.77 -2.18 0.00 0.00 179.01 178.04 3pdz h SER 48 N 0.97 -0.53 -0.57 1.04 0.02 -1.53 -2.76 113.55 110.19 3pdz h SER 48 Ca 0.34 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3pdz h SER 48 Cb 0.13 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3pdz h SER 48 CO -0.11 -0.23 0.20 -0.78 -1.14 0.00 0.00 176.83 174.77 3pdz h ASP 49 N -0.34 0.85 -1.26 3.07 1.82 -1.27 -3.47 116.42 115.82 3pdz h ASP 49 Ca -0.02 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 3pdz h ASP 49 Cb 0.31 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.10 3pdz h ASP 49 CO -0.05 0.79 0.00 0.61 -1.61 0.00 0.00 179.24 178.99 3pdz n GLY 50 N -0.92 0.77 0.07 -0.78 0.00 0.26 -5.01 105.19 99.58 3pdz n GLY 50 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -6.79 1.61 2.47 -1.84 -3.47 114.38 106.36 3pdz h ARG 51 Ca 0.00 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.25 3pdz h ARG 51 Cb 0.92 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.27 3pdz h ARG 51 CO 0.00 0.83 -0.03 0.42 0.56 0.00 0.00 179.97 181.75 3pdz s ILE 52 N -2.11 4.18 0.03 2.04 -1.09 -1.26 -4.85 121.20 118.14 3pdz s ILE 52 Ca -0.16 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 3pdz s ILE 52 Cb -0.02 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3pdz s ILE 52 CO 0.57 -0.45 -0.04 -1.00 -1.23 0.00 0.00 174.94 172.79 3pdz s HIS 53 N -2.64 0.41 0.05 3.97 3.76 -1.26 -4.90 115.29 114.67 3pdz s HIS 53 Ca 0.48 -0.70 -0.28 0.00 -0.15 0.00 0.00 55.06 54.42 3pdz s HIS 53 Cb -0.10 -0.28 -0.15 0.00 1.11 0.00 0.00 32.58 33.16 3pdz s HIS 53 CO 0.40 -0.23 0.69 1.63 -0.85 0.00 0.00 174.74 176.38 3pdz n LYS 54 N 1.09 0.00 -3.30 1.40 5.02 -1.26 -0.47 118.16 120.64 3pdz n LYS 54 Ca -0.20 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.85 3pdz n LYS 54 Cb 0.57 -1.03 0.01 0.00 -0.02 0.00 0.00 35.03 34.56 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 1.25 -0.49 3.72 0.72 0.00 0.41 -4.80 105.19 106.00 3pdz n GLY 55 Ca 0.15 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3pdz n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pdz s ASP 56 N -2.73 6.68 -0.96 1.61 -1.08 0.37 -4.34 116.67 116.22 3pdz s ASP 56 Ca 0.38 2.52 -0.23 0.00 -0.52 0.00 0.00 52.55 54.70 3pdz s ASP 56 Cb -0.20 -2.59 0.06 0.00 -1.46 0.00 0.00 42.92 38.73 3pdz s ASP 56 CO 0.47 -0.75 1.37 -0.13 0.52 0.00 0.00 175.17 176.65 3pdz s ARG 57 N 0.96 3.53 -0.32 4.34 0.52 -1.11 -3.20 118.95 123.67 3pdz s ARG 57 Ca 0.67 -1.10 -0.24 0.00 -0.52 0.00 0.00 55.73 54.54 3pdz s ARG 57 Cb -0.41 -5.11 0.01 0.00 0.52 0.00 0.00 34.95 29.95 3pdz s ARG 57 CO 0.32 -2.13 0.83 0.14 0.02 0.00 0.00 175.30 174.48 3pdz s VAL 58 N 4.71 4.73 -0.60 3.52 -7.23 -1.08 0.13 120.40 124.58 3pdz s VAL 58 Ca 0.42 1.18 0.13 0.00 -1.81 0.00 0.00 61.98 61.91 3pdz s VAL 58 Cb -0.02 -4.20 -0.15 0.00 0.56 0.00 0.00 36.38 32.56 3pdz s VAL 58 CO -0.06 -0.33 0.56 0.18 -0.31 0.00 0.00 175.10 175.13 3pdz n LEU 59 N 6.36 0.60 -3.71 1.32 7.99 -0.99 -3.72 117.00 124.85 3pdz n LEU 59 Ca 0.05 -0.47 -0.14 0.00 -0.01 0.00 0.00 56.01 55.44 3pdz n LEU 59 Cb 0.48 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.70 3pdz n LEU 59 CO 0.53 0.15 0.11 0.00 -1.51 0.00 0.00 177.39 176.67 3pdz s ALA 60 N -2.31 -1.04 -0.28 -1.18 0.00 -0.54 0.15 121.76 116.56 3pdz s ALA 60 Ca 0.04 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3pdz s ALA 60 Cb 0.10 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 23.00 3pdz s ALA 60 CO 0.56 -0.25 0.12 0.08 0.00 0.00 0.00 175.76 176.27 3pdz s VAL 61 N -0.56 0.05 -1.01 0.00 1.01 -0.89 -1.57 120.40 117.43 3pdz s VAL 61 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3pdz s VAL 61 Cb -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3pdz s VAL 61 CO 0.03 -0.66 0.00 0.59 0.00 0.00 0.00 175.10 175.06 3pdz n ASN 62 N 5.20 -5.04 0.00 3.32 5.03 -0.02 -1.71 115.26 122.04 3pdz n ASN 62 Ca -0.06 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.63 3pdz n ASN 62 Cb 0.43 -3.38 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 -0.62 0.91 3.47 7.41 0.00 -1.26 -5.07 105.19 110.04 3pdz n GLY 63 Ca -0.10 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 4.89 0.19 1.61 0.11 -0.69 -5.03 120.40 119.48 3pdz s VAL 64 Ca 0.00 -0.29 -0.33 0.00 -2.93 0.00 0.00 61.98 58.44 3pdz s VAL 64 Cb 0.00 -4.23 -0.13 0.00 -1.53 0.00 0.00 36.38 30.49 3pdz s VAL 64 CO 0.00 -0.69 1.60 -1.20 -3.33 0.00 0.00 175.10 171.49 3pdz n SER 65 N 6.12 3.36 0.07 3.54 7.64 -1.26 -2.09 113.62 131.00 3pdz n SER 65 Ca -0.05 1.09 0.07 0.00 1.01 0.00 0.00 58.87 60.99 3pdz n SER 65 Cb 0.46 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.15 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 3.38 0.80 -4.52 -3.43 -0.00 0.41 -4.86 117.00 108.77 3pdz n LEU 66 Ca 0.16 0.32 -0.33 0.00 -0.00 0.00 0.00 56.01 56.16 3pdz n LEU 66 Cb 0.31 -0.01 -0.13 0.00 -0.00 0.00 0.00 43.42 43.59 3pdz n LEU 66 CO 0.63 -0.06 2.04 1.21 -0.00 0.00 0.00 177.39 181.22 3pdz n GLU 67 N -2.72 0.29 0.00 1.96 2.13 -1.26 -2.92 120.64 118.12 3pdz n GLU 67 Ca -0.04 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3pdz n GLU 67 Cb 0.65 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 6.20 0.71 3.59 8.31 0.00 -1.23 -5.00 105.19 117.79 3pdz n GLY 68 Ca 0.58 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.03 0.51 4.61 0.00 -0.66 -5.00 121.76 118.06 3pdz s ALA 69 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3pdz s ALA 69 Cb 0.00 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.32 3pdz s ALA 69 CO 0.00 -0.74 0.41 0.25 0.00 0.00 0.00 175.76 175.69 3pdz n THR 70 N -0.23 0.00 0.41 0.00 -2.24 -1.26 -4.00 114.28 106.96 3pdz n THR 70 Ca -0.04 -0.68 -0.17 0.00 -2.27 0.00 0.00 64.05 60.90 3pdz n THR 70 Cb 0.60 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.99 -0.83 4.78 2.76 -1.66 -2.26 115.15 116.53 3pdz h HIS 71 Ca -0.14 -0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.20 3pdz h HIS 71 Cb 0.52 0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 3pdz h HIS 71 CO 0.00 -0.61 0.56 -0.22 -1.30 0.00 0.00 177.93 176.36 3pdz h LYS 72 N -1.26 0.30 0.09 5.26 3.64 -1.95 0.41 116.57 123.06 3pdz h LYS 72 Ca -0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3pdz h LYS 72 Cb 0.82 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3pdz h LYS 72 CO 0.18 0.20 -0.07 0.37 -2.27 0.00 0.00 179.45 177.86 3pdz h GLN 73 N 0.31 -0.16 -0.35 1.90 4.15 -1.88 -1.36 115.11 117.71 3pdz h GLN 73 Ca 0.42 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.78 3pdz h GLN 73 Cb 1.16 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 3pdz h GLN 73 CO -0.12 -0.11 -0.05 0.00 -1.93 0.00 0.00 178.83 176.63 3pdz h ALA 74 N 0.74 0.48 -0.97 3.38 0.00 -0.39 -2.56 119.26 119.94 3pdz h ALA 74 Ca -0.00 -0.28 0.33 0.00 0.00 0.00 0.00 54.91 54.95 3pdz h ALA 74 Cb 0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 17.65 3pdz h ALA 74 CO -0.00 0.29 0.41 -0.24 0.00 0.00 0.00 179.25 179.71 3pdz h VAL 75 N 0.45 0.17 -0.26 0.00 3.04 0.06 1.71 116.25 121.41 3pdz h VAL 75 Ca 0.09 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.67 3pdz h VAL 75 Cb 0.53 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 3pdz h VAL 75 CO 0.03 0.03 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.23 3pdz h GLU 76 N 0.16 0.51 0.37 4.17 5.08 -0.87 -1.52 114.58 122.47 3pdz h GLU 76 Ca 0.71 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.86 3pdz h GLU 76 Cb 1.66 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3pdz h GLU 76 CO -0.71 0.72 -0.18 1.79 -1.00 0.00 0.00 179.01 179.63 3pdz h THR 77 N 0.26 0.63 -0.45 1.13 1.35 0.25 1.27 112.91 117.35 3pdz h THR 77 Ca 0.07 -0.36 0.08 0.00 -0.55 0.00 0.00 66.41 65.65 3pdz h THR 77 Cb 0.53 0.81 -0.07 0.00 -1.73 0.00 0.00 68.15 67.69 3pdz h THR 77 CO 0.03 0.07 0.05 -0.07 -0.25 0.00 0.00 175.52 175.34 3pdz h LEU 78 N -0.71 -0.08 0.53 3.87 3.38 0.63 -2.94 115.31 119.99 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 0.49 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3pdz h LEU 78 CO 0.08 -0.01 -0.25 -0.09 0.09 0.00 0.00 178.44 178.26 3pdz h ARG 79 N 0.17 -0.68 -3.64 1.13 9.65 -1.23 -3.33 114.38 116.44 3pdz h ARG 79 Ca 0.22 0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.96 3pdz h ARG 79 Cb 0.31 0.16 0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3pdz h ARG 79 CO -0.33 -0.41 1.77 0.09 2.80 0.00 0.00 179.97 183.89 3pdz n ASN 80 N -5.26 2.59 0.00 -3.80 3.02 0.43 -4.35 115.26 107.90 3pdz n ASN 80 Ca -0.10 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 3pdz n ASN 80 Cb 0.30 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 4.47 0.00 0.00 3.41 -2.24 -1.23 -4.80 114.28 113.88 3pdz n THR 81 Ca 0.23 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 3pdz n THR 81 Cb 0.08 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 1.40 0.00 3.38 0.00 -1.26 -4.90 105.19 105.60 3pdz n GLY 82 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.82 117.38 120.34 3pdz n GLN 83 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 3pdz n GLN 83 Cb 0.00 -0.74 -0.06 0.00 -0.86 0.00 0.00 30.24 28.58 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 -0.54 3.92 -1.10 -0.39 1.01 -1.26 0.11 120.40 122.15 3pdz s VAL 84 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 3pdz s VAL 84 Cb 0.00 -3.08 0.25 0.00 0.00 0.00 0.00 36.38 33.55 3pdz s VAL 84 CO 0.00 -0.31 1.14 -0.69 0.00 0.00 0.00 175.10 175.25 3pdz s VAL 85 N -2.13 5.77 -0.97 2.92 1.01 0.39 -4.51 120.40 122.89 3pdz s VAL 85 Ca 0.31 -3.17 -0.12 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 0.22 -1.26 0.96 -2.28 0.00 0.00 0.00 175.10 172.73 3pdz s HIS 86 N -0.54 3.94 -0.21 5.22 5.04 -1.25 -0.27 115.29 127.22 3pdz s HIS 86 Ca 0.32 -2.26 -0.08 0.00 -1.54 0.00 0.00 55.06 51.50 3pdz s HIS 86 Cb -0.09 -3.87 -0.04 0.00 0.04 0.00 0.00 32.58 28.62 3pdz s HIS 86 CO -0.07 -1.02 0.08 -0.51 -2.34 0.00 0.00 174.74 170.88 3pdz s LEU 87 N -0.25 3.73 -0.52 8.88 1.43 0.38 -0.84 118.68 131.50 3pdz s LEU 87 Ca 0.25 -0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 3pdz s LEU 87 Cb -0.09 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.29 3pdz s LEU 87 CO -0.08 0.10 0.45 -0.76 0.23 0.00 0.00 176.35 176.28 3pdz s LEU 88 N 0.81 6.02 0.00 1.79 1.02 -0.61 0.24 118.68 127.95 3pdz s LEU 88 Ca 0.04 -1.84 0.00 0.00 0.02 0.00 0.00 54.13 52.35 3pdz s LEU 88 Cb -0.13 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 43.94 3pdz s LEU 88 CO 0.02 -0.80 0.00 0.18 0.02 0.00 0.00 176.35 175.77 3pdz n LEU 89 N 5.12 0.00 -3.91 1.79 4.77 0.49 -1.47 117.00 123.80 3pdz n LEU 89 Ca -0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 3pdz n LEU 89 Cb 0.40 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 3pdz n LEU 89 CO 0.50 -0.09 -0.38 -0.70 -1.33 0.00 0.00 177.39 175.39 3pdz s GLU 90 N 1.29 0.25 -0.47 3.23 2.12 0.34 -1.04 118.70 124.42 3pdz s GLU 90 Ca 0.00 -0.08 -0.34 0.00 0.36 0.00 0.00 54.97 54.90 3pdz s GLU 90 Cb 0.00 -0.27 -0.13 0.00 0.26 0.00 0.00 34.13 33.99 3pdz s GLU 90 CO 0.00 0.04 2.28 1.17 -0.54 0.00 0.00 175.26 178.21 3pdz n LYS 91 N 3.16 0.81 -1.65 4.30 3.00 -0.94 -2.74 118.16 124.11 3pdz n LYS 91 Ca -0.14 0.18 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 3pdz n LYS 91 Cb 0.58 -2.36 -0.03 0.00 0.00 0.00 0.00 35.03 33.22 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 8.04 -0.32 0.00 3.14 0.00 -1.26 -4.62 107.32 112.31 3pdz s GLY 92 Ca 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3pdz s GLY 92 CO 0.48 4.01 0.00 -0.18 0.00 0.00 0.00 173.10 177.40 3pdz n GLN 93 N 9.04 0.90 -1.79 2.90 7.27 -1.26 -4.98 117.38 129.46 3pdz n GLN 93 Ca 0.34 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 57.03 3pdz n GLN 93 Cb 0.54 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.25 3pdz n GLN 93 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3pdz s SER 94 N -1.00 4.93 0.29 1.69 0.01 -1.26 -4.90 113.70 113.46 3pdz s SER 94 Ca 0.00 2.65 -0.28 0.00 1.31 0.00 0.00 55.95 59.63 3pdz s SER 94 Cb 0.00 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.47 3pdz s SER 94 CO 0.00 -1.79 1.06 -2.65 0.41 0.00 0.00 173.24 170.27 3pdz n PRO 95 N -1.52 1.44 0.00 12.44 -0.02 -1.26 -5.22 135.00 140.86 3pdz n PRO 95 Ca 0.13 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3pdz n PRO 95 Cb 0.47 -1.91 0.41 0.00 -0.02 0.00 0.00 33.50 32.44 3pdz n PRO 95 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11