#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdz s ARG 2 N 0.00 1.50 -0.08 2.89 0.52 0.38 -4.74 118.95 119.41 2pdz s ARG 2 Ca 0.00 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.09 2pdz s ARG 2 Cb 0.00 0.49 0.03 0.00 0.52 0.00 0.00 34.95 36.00 2pdz s ARG 2 CO 0.00 -0.63 0.01 0.50 0.02 0.00 0.00 175.30 175.20 2pdz s ARG 3 N -3.96 0.59 -0.09 3.54 3.52 -1.26 -1.49 118.95 119.80 2pdz s ARG 3 Ca 0.17 0.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 2pdz s ARG 3 Cb -0.01 -1.09 0.01 0.00 -1.56 0.00 0.00 34.95 32.29 2pdz s ARG 3 CO 0.05 -0.34 -0.18 0.08 -0.81 0.00 0.00 175.30 174.09 2pdz s VAL 4 N 1.97 1.63 -0.20 7.11 1.01 -0.77 -4.94 120.40 126.21 2pdz s VAL 4 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2pdz s VAL 4 Cb -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2pdz s VAL 4 CO -0.06 0.47 -0.16 -0.89 0.00 0.00 0.00 175.10 174.46 2pdz s THR 5 N 0.60 2.35 -0.33 3.92 2.01 -1.26 0.64 115.64 123.58 2pdz s THR 5 Ca -0.14 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 2pdz s THR 5 Cb -0.17 -2.06 0.06 0.00 0.01 0.00 0.00 72.50 70.35 2pdz s THR 5 CO 0.05 0.45 0.05 -0.69 -0.69 0.00 0.00 174.62 173.78 2pdz s VAL 6 N 1.31 3.15 -0.27 3.82 1.01 -0.57 -4.90 120.40 123.96 2pdz s VAL 6 Ca 0.04 -1.48 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 2pdz s VAL 6 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2pdz s VAL 6 CO -0.10 -0.23 1.92 -0.13 0.00 0.00 0.00 175.10 176.57 2pdz s ARG 7 N 1.25 3.34 0.10 2.72 0.52 -1.26 -0.03 118.95 125.59 2pdz s ARG 7 Ca -0.02 1.69 0.08 0.00 -0.52 0.00 0.00 55.73 56.96 2pdz s ARG 7 Cb -0.20 -4.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.00 2pdz s ARG 7 CO -0.01 -1.85 -0.21 0.21 0.02 0.00 0.00 175.30 173.46 2pdz s LYS 8 N 5.74 1.12 0.00 3.54 2.20 -0.33 -4.88 119.74 127.13 2pdz s LYS 8 Ca 0.86 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2pdz s LYS 8 Cb -0.27 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 2pdz s LYS 8 CO 0.34 0.32 0.00 0.00 -0.36 0.00 0.00 175.35 175.65 2pdz n ALA 9 N 1.10 0.00 -0.08 3.13 0.00 -1.26 -3.30 120.51 120.11 2pdz n ALA 9 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.27 2pdz n ALA 9 Cb 0.54 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.20 2pdz n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pdz n ASP 10 N 0.00 3.64 -3.58 0.00 2.03 -1.26 -4.76 116.55 112.62 2pdz n ASP 10 Ca 0.00 -2.55 -0.00 0.00 0.52 0.00 0.00 54.79 52.75 2pdz n ASP 10 Cb 0.00 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 39.75 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pdz s ALA 11 N -1.98 -2.10 0.00 -1.67 0.00 -1.26 -5.11 121.76 109.64 2pdz s ALA 11 Ca 0.31 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.55 2pdz s ALA 11 Cb 0.24 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2pdz s ALA 11 CO 0.09 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2pdz n GLY 12 N 5.43 2.84 3.37 0.00 0.00 -1.26 -5.11 105.19 110.46 2pdz n GLY 12 Ca -0.11 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2pdz n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 13 N 0.00 -2.24 0.04 -0.02 0.00 -1.26 -4.90 105.19 96.82 2pdz n GLY 13 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.52 2pdz n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pdz n LEU 14 N -0.19 0.62 -2.86 0.99 0.00 -1.26 -4.33 117.00 109.96 2pdz n LEU 14 Ca 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 56.01 56.03 2pdz n LEU 14 Cb 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 43.42 43.85 2pdz n LEU 14 CO 0.51 0.02 -0.16 0.61 0.00 0.00 0.00 177.39 178.37 2pdz n GLY 15 N 1.35 -2.12 3.24 -3.96 0.00 -1.26 -1.94 105.19 100.50 2pdz n GLY 15 Ca 0.02 0.98 0.03 0.00 0.00 0.00 0.00 46.02 47.05 2pdz n GLY 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pdz s ILE 16 N -2.19 -0.24 -0.38 -0.61 2.07 -1.26 -3.53 121.20 115.05 2pdz s ILE 16 Ca 0.17 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 2pdz s ILE 16 Cb -0.04 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.61 2pdz s ILE 16 CO 0.76 0.00 0.19 -0.55 -1.91 0.00 0.00 174.94 173.43 2pdz s SER 17 N 2.40 5.47 0.28 4.50 0.15 -0.16 -4.98 113.70 121.36 2pdz s SER 17 Ca -0.01 -1.40 -0.21 0.00 0.70 0.00 0.00 55.95 55.03 2pdz s SER 17 Cb -0.05 -1.92 -0.09 0.00 -1.71 0.00 0.00 66.02 62.25 2pdz s SER 17 CO -0.15 -0.45 0.81 0.27 1.20 0.00 0.00 173.24 174.92 2pdz s ILE 18 N 1.39 4.47 0.11 6.45 -4.36 -1.26 -0.30 121.20 127.70 2pdz s ILE 18 Ca 0.02 1.40 0.06 0.00 -0.26 0.00 0.00 60.65 61.87 2pdz s ILE 18 Cb -0.21 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 39.62 2pdz s ILE 18 CO 0.02 0.08 -0.15 -1.59 0.24 0.00 0.00 174.94 173.53 2pdz s LYS 19 N -2.27 1.02 0.00 0.37 -2.85 0.24 -4.80 119.74 111.46 2pdz s LYS 19 Ca 0.48 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2pdz s LYS 19 Cb -0.15 -1.00 0.00 0.00 -2.06 0.00 0.00 37.83 34.62 2pdz s LYS 19 CO 0.20 0.20 0.00 0.41 0.10 0.00 0.00 175.35 176.27 2pdz n GLY 20 N 0.72 0.66 0.00 0.59 0.00 -1.26 -1.09 105.19 104.81 2pdz n GLY 20 Ca -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2pdz n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 21 N 0.00 3.30 0.23 -0.02 0.00 -1.26 -4.78 105.19 102.66 2pdz n GLY 21 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2pdz n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pdz h ARG 22 N 0.00 0.00 0.00 1.61 9.65 -1.77 0.66 114.38 124.53 2pdz h ARG 22 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2pdz h ARG 22 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2pdz h ARG 22 CO 0.00 0.00 0.00 0.39 2.80 0.00 0.00 179.97 183.16 2pdz n GLU 23 N -2.51 0.23 -0.59 0.20 -0.58 -1.26 -3.06 120.64 113.07 2pdz n GLU 23 Ca -0.02 0.33 0.06 0.00 -0.42 0.00 0.00 57.16 57.12 2pdz n GLU 23 Cb 0.11 -1.85 0.18 0.00 -0.57 0.00 0.00 31.44 29.31 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pdz n ASN 24 N -2.26 1.71 -3.07 1.62 5.03 0.22 -5.02 115.26 113.50 2pdz n ASN 24 Ca 0.04 -3.56 -0.17 0.00 0.87 0.00 0.00 54.58 51.77 2pdz n ASN 24 Cb 0.32 -0.48 0.02 0.00 -1.02 0.00 0.00 39.78 38.61 2pdz n ASN 24 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pdz n LYS 25 N -1.00 -2.23 -3.64 3.52 4.76 -1.17 -4.92 118.16 113.48 2pdz n LYS 25 Ca 0.17 1.89 -0.02 0.00 -2.87 0.00 0.00 58.31 57.48 2pdz n LYS 25 Cb 0.73 -4.20 -0.05 0.00 -1.84 0.00 0.00 35.03 29.67 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2pdz s MET 26 N -2.35 0.60 -0.10 1.97 1.75 -1.24 -4.97 119.30 114.98 2pdz s MET 26 Ca 0.25 1.39 -0.04 0.00 -1.25 0.00 0.00 55.69 56.04 2pdz s MET 26 Cb -0.05 0.69 -0.16 0.00 2.84 0.00 0.00 34.83 38.15 2pdz s MET 26 CO 0.76 -0.19 2.42 -0.35 -0.65 0.00 0.00 175.02 177.01 2pdz n PRO 27 N 5.16 1.34 -3.20 4.11 -0.04 -1.26 -4.15 135.00 136.96 2pdz n PRO 27 Ca -0.14 -0.71 -0.07 0.00 -0.04 0.00 0.00 63.50 62.54 2pdz n PRO 27 Cb 0.52 -1.87 0.01 0.00 -0.04 0.00 0.00 33.50 32.11 2pdz n PRO 27 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pdz n ILE 28 N 2.83 -3.50 -3.55 0.52 2.08 -1.26 -1.88 119.36 114.59 2pdz n ILE 28 Ca 0.29 0.56 -0.37 0.00 0.56 0.00 0.00 62.75 63.79 2pdz n ILE 28 Cb 0.53 -3.57 -0.06 0.00 -0.75 0.00 0.00 39.64 35.79 2pdz n ILE 28 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2pdz s LEU 29 N -1.36 4.34 0.29 1.39 1.43 -0.25 -1.36 118.68 123.17 2pdz s LEU 29 Ca 0.08 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.57 2pdz s LEU 29 Cb -0.01 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 2pdz s LEU 29 CO 0.25 0.20 1.34 -0.63 0.23 0.00 0.00 176.35 177.74 2pdz s ILE 30 N -0.21 2.77 0.00 -0.59 1.01 -0.39 0.83 121.20 124.62 2pdz s ILE 30 Ca 0.20 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.57 2pdz s ILE 30 Cb -0.14 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2pdz s ILE 30 CO 0.08 0.15 0.00 -0.24 0.00 0.00 0.00 174.94 174.93 2pdz n SER 31 N 1.42 4.91 -3.63 3.58 2.88 0.58 -0.61 113.62 122.76 2pdz n SER 31 Ca 0.02 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.29 2pdz n SER 31 Cb 0.42 0.67 -0.16 0.00 -0.75 0.00 0.00 64.21 64.39 2pdz n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2pdz s LYS 32 N -1.97 0.31 -0.72 -1.46 2.20 -1.03 -4.85 119.74 112.22 2pdz s LYS 32 Ca 0.00 -0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 54.98 2pdz s LYS 32 Cb 0.00 -1.69 0.10 0.00 -1.51 0.00 0.00 37.83 34.73 2pdz s LYS 32 CO 0.00 -0.82 0.93 0.42 -0.36 0.00 0.00 175.35 175.52 2pdz s ILE 33 N 2.00 4.61 0.27 5.43 -1.09 -1.26 -0.99 121.20 130.17 2pdz s ILE 33 Ca 0.05 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 2pdz s ILE 33 Cb -0.16 -4.65 -0.11 0.00 -1.58 0.00 0.00 42.46 35.96 2pdz s ILE 33 CO -0.20 -1.37 1.54 -0.36 -1.23 0.00 0.00 174.94 173.33 2pdz s PHE 34 N 3.18 2.86 0.97 3.97 0.40 -1.23 -4.87 117.98 123.25 2pdz s PHE 34 Ca 0.22 0.85 -0.16 0.00 -0.60 0.00 0.00 56.93 57.24 2pdz s PHE 34 Cb -0.15 -3.98 0.19 0.00 0.51 0.00 0.00 43.02 39.59 2pdz s PHE 34 CO 0.03 -3.28 1.26 -1.59 0.70 0.00 0.00 175.22 172.34 2pdz s LYS 35 N -0.36 0.62 -1.45 0.44 -2.85 -1.26 -3.90 119.74 110.99 2pdz s LYS 35 Ca 0.62 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 2pdz s LYS 35 Cb -0.46 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 2pdz s LYS 35 CO 0.45 -2.45 0.00 0.41 0.10 0.00 0.00 175.35 173.86 2pdz n GLY 36 N -3.18 -0.22 3.19 0.59 0.00 -1.26 -4.94 105.19 99.37 2pdz n GLY 36 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2pdz n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pdz s LEU 37 N -5.59 2.23 0.13 0.99 1.43 -1.25 -5.02 118.68 111.59 2pdz s LEU 37 Ca 0.00 -1.11 -0.27 0.00 -1.03 0.00 0.00 54.13 51.72 2pdz s LEU 37 Cb 0.00 0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.19 2pdz s LEU 37 CO 0.00 -0.56 1.61 0.00 0.23 0.00 0.00 176.35 177.63 2pdz h ALA 38 N 2.85 -0.45 -0.82 4.21 0.00 -1.75 0.19 119.26 123.50 2pdz h ALA 38 Ca -0.36 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2pdz h ALA 38 Cb 1.18 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 2pdz h ALA 38 CO 0.63 -0.82 0.53 0.00 0.00 0.00 0.00 179.25 179.59 2pdz h ALA 39 N 0.29 1.71 -0.01 0.00 0.00 -1.58 -1.77 119.26 117.91 2pdz h ALA 39 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pdz h ALA 39 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2pdz h ALA 39 CO -0.28 0.13 -0.40 -3.47 0.00 0.00 0.00 179.25 175.23 2pdz n ASP 40 N -4.51 1.12 -1.12 0.00 2.03 -0.92 -3.49 116.55 109.66 2pdz n ASP 40 Ca 0.13 -0.90 0.08 0.00 0.52 0.00 0.00 54.79 54.62 2pdz n ASP 40 Cb 0.30 0.29 0.27 0.00 -0.72 0.00 0.00 41.12 41.26 2pdz n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pdz n GLN 41 N -0.75 3.32 -0.36 -0.67 -0.00 0.61 -4.38 117.38 115.15 2pdz n GLN 41 Ca 0.10 -2.68 0.07 0.00 -0.00 0.00 0.00 57.00 54.49 2pdz n GLN 41 Cb 0.37 -1.74 0.23 0.00 -0.00 0.00 0.00 30.24 29.10 2pdz n GLN 41 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2pdz n THR 42 N 0.36 1.63 -4.12 -0.39 5.66 -1.07 -4.98 114.28 111.37 2pdz n THR 42 Ca 0.21 -1.36 -0.29 0.00 -3.05 0.00 0.00 64.05 59.56 2pdz n THR 42 Cb 0.79 0.15 -0.05 0.00 -1.55 0.00 0.00 70.33 69.68 2pdz n THR 42 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2pdz n GLU 43 N 0.26 -2.45 0.00 1.09 -0.58 -1.26 -4.58 120.64 113.11 2pdz n GLU 43 Ca 0.18 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 2pdz n GLU 43 Cb 0.69 -4.31 0.00 0.00 -0.57 0.00 0.00 31.44 27.24 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pdz n ALA 44 N -4.44 0.00 -2.15 0.62 0.00 -1.26 -5.02 120.51 108.25 2pdz n ALA 44 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 2pdz n ALA 44 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 2pdz n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pdz s LEU 45 N -3.79 3.21 0.12 0.00 1.43 -1.23 -4.91 118.68 113.51 2pdz s LEU 45 Ca 0.00 -1.34 0.06 0.00 -1.03 0.00 0.00 54.13 51.82 2pdz s LEU 45 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2pdz s LEU 45 CO 0.00 -2.63 -0.04 0.72 0.23 0.00 0.00 176.35 174.63 2pdz s PHE 46 N 9.48 2.84 0.93 0.29 -0.12 -1.26 -4.33 117.98 125.80 2pdz s PHE 46 Ca 0.66 -0.11 -0.14 0.00 -0.05 0.00 0.00 56.93 57.29 2pdz s PHE 46 Cb -0.02 -1.45 -0.00 0.00 -0.63 0.00 0.00 43.02 40.92 2pdz s PHE 46 CO 0.05 0.47 0.24 0.28 -0.05 0.00 0.00 175.22 176.21 2pdz n VAL 47 N 0.44 0.22 -2.11 -2.49 0.31 -1.26 -3.25 118.33 110.18 2pdz n VAL 47 Ca -0.12 -0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 2pdz n VAL 47 Cb 0.53 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2pdz n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pdz n GLY 48 N 1.81 0.32 3.14 2.92 0.00 0.22 -4.92 105.19 108.70 2pdz n GLY 48 Ca 0.06 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2pdz n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pdz s ASP 49 N -2.90 5.06 -0.46 1.61 1.01 -1.20 -1.03 116.67 118.76 2pdz s ASP 49 Ca 0.01 -1.67 -0.27 0.00 0.71 0.00 0.00 52.55 51.33 2pdz s ASP 49 Cb -0.00 -1.76 0.03 0.00 1.01 0.00 0.00 42.92 42.19 2pdz s ASP 49 CO 0.01 -0.40 1.01 0.00 0.21 0.00 0.00 175.17 176.01 2pdz s ALA 50 N 1.18 3.22 0.19 5.23 0.00 -1.03 -1.26 121.76 129.29 2pdz s ALA 50 Ca 0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2pdz s ALA 50 Cb -0.21 -3.73 -0.08 0.00 0.00 0.00 0.00 23.12 19.10 2pdz s ALA 50 CO -0.03 -2.09 1.04 0.42 0.00 0.00 0.00 175.76 175.10 2pdz s ILE 51 N 4.01 4.00 0.00 0.00 1.01 -0.46 0.10 121.20 129.86 2pdz s ILE 51 Ca 0.42 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.86 2pdz s ILE 51 Cb -0.09 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2pdz s ILE 51 CO 0.28 0.34 0.47 0.18 0.00 0.00 0.00 174.94 176.20 2pdz n LEU 52 N 2.14 0.94 -3.15 2.97 7.99 -0.64 -4.45 117.00 122.80 2pdz n LEU 52 Ca 0.01 -0.96 0.06 0.00 -0.01 0.00 0.00 56.01 55.11 2pdz n LEU 52 Cb 0.47 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.77 2pdz n LEU 52 CO 0.52 0.23 0.67 -0.94 -1.51 0.00 0.00 177.39 176.37 2pdz s SER 53 N -0.04 -0.09 -0.24 -1.43 1.04 -1.26 -1.07 113.70 110.61 2pdz s SER 53 Ca 0.00 0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.28 2pdz s SER 53 Cb 0.00 1.07 -0.03 0.00 0.10 0.00 0.00 66.02 67.16 2pdz s SER 53 CO 0.00 -0.02 0.50 0.68 0.98 0.00 0.00 173.24 175.38 2pdz s VAL 54 N 2.99 5.09 -1.52 5.02 -7.23 -1.06 -2.00 120.40 121.69 2pdz s VAL 54 Ca 0.20 0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 61.19 2pdz s VAL 54 Cb -0.02 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 33.11 2pdz s VAL 54 CO -0.18 0.12 0.47 0.59 -0.31 0.00 0.00 175.10 175.80 2pdz n ASN 55 N 5.28 -5.58 0.00 4.85 3.02 0.40 -1.12 115.26 122.10 2pdz n ASN 55 Ca -0.05 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2pdz n ASN 55 Cb 0.50 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pdz n GLY 56 N -1.36 0.50 3.24 7.41 0.00 -1.26 -5.00 105.19 108.71 2pdz n GLY 56 Ca -0.12 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2pdz n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pdz s GLU 57 N -1.33 3.13 -0.91 1.61 2.12 -0.28 -5.00 118.70 118.03 2pdz s GLU 57 Ca 0.00 -2.42 -0.29 0.00 0.36 0.00 0.00 54.97 52.62 2pdz s GLU 57 Cb 0.00 -4.14 -0.20 0.00 0.26 0.00 0.00 34.13 30.05 2pdz s GLU 57 CO 0.00 -1.24 2.63 -0.25 -0.54 0.00 0.00 175.26 175.86 2pdz n ASP 58 N 3.90 0.57 -1.57 -1.70 9.92 -1.26 -2.56 116.55 123.84 2pdz n ASP 58 Ca 0.09 0.02 -0.05 0.00 -0.53 0.00 0.00 54.79 54.32 2pdz n ASP 58 Cb 0.43 -1.02 0.19 0.00 -0.64 0.00 0.00 41.12 40.07 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2pdz n LEU 59 N 11.29 4.66 0.11 0.64 7.99 -0.23 -4.41 117.00 137.05 2pdz n LEU 59 Ca 0.61 -2.42 -0.07 0.00 -0.01 0.00 0.00 56.01 54.12 2pdz n LEU 59 Cb 0.12 -0.67 -0.04 0.00 -0.11 0.00 0.00 43.42 42.73 2pdz n LEU 59 CO 0.90 0.66 0.21 0.77 -1.51 0.00 0.00 177.39 178.43 2pdz h SER 60 N 1.60 -0.31 1.88 -1.43 4.64 -1.85 -3.32 113.55 114.76 2pdz h SER 60 Ca 0.20 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2pdz h SER 60 Cb 1.80 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2pdz h SER 60 CO 0.50 0.17 -0.05 -1.28 -0.87 0.00 0.00 176.83 175.31 2pdz h SER 61 N -1.06 0.00 -3.13 4.97 0.87 -1.95 -3.46 113.55 109.79 2pdz h SER 61 Ca -0.04 -0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.06 2pdz h SER 61 Cb 0.37 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.55 2pdz h SER 61 CO 0.06 0.00 -0.28 0.00 -0.53 0.00 0.00 176.83 176.08 2pdz n ALA 62 N -2.06 -2.97 -2.71 6.23 0.00 -1.25 -4.96 120.51 112.80 2pdz n ALA 62 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2pdz n ALA 62 Cb 0.52 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2pdz n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pdz n THR 63 N -4.69 0.00 0.20 0.00 -2.24 -1.26 -4.39 114.28 101.90 2pdz n THR 63 Ca 0.04 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.90 2pdz n THR 63 Cb 0.56 -0.96 0.29 0.00 -2.10 0.00 0.00 70.33 68.12 2pdz n THR 63 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2pdz h HIS 64 N 0.02 0.00 -0.03 4.78 2.76 -1.90 -2.98 115.15 117.80 2pdz h HIS 64 Ca 0.00 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.97 2pdz h HIS 64 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2pdz h HIS 64 CO 0.00 0.27 -0.85 -0.44 -1.30 0.00 0.00 177.93 175.62 2pdz h ASP 65 N 0.00 0.44 0.91 3.26 5.19 -1.96 -2.62 116.42 121.65 2pdz h ASP 65 Ca -0.00 -0.33 -0.07 0.00 -0.62 0.00 0.00 57.03 56.00 2pdz h ASP 65 Cb 0.97 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 2pdz h ASP 65 CO 0.04 1.11 -0.35 -0.33 -3.12 0.00 0.00 179.24 176.58 2pdz h GLU 66 N 0.22 0.00 0.17 3.56 4.39 -1.91 -1.37 114.58 119.64 2pdz h GLU 66 Ca -0.05 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.34 2pdz h GLU 66 Cb 1.46 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.13 2pdz h GLU 66 CO 0.14 0.35 -1.32 0.00 -1.16 0.00 0.00 179.01 177.02 2pdz h ALA 67 N 1.65 -0.03 -0.04 3.43 0.00 -1.43 -3.16 119.26 119.67 2pdz h ALA 67 Ca -0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 54.91 53.85 2pdz h ALA 67 Cb 0.90 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2pdz h ALA 67 CO 0.05 0.74 -0.91 0.28 0.00 0.00 0.00 179.25 179.41 2pdz h VAL 68 N 0.19 1.33 -0.95 0.00 2.07 -1.42 -2.89 116.25 114.59 2pdz h VAL 68 Ca -0.20 -2.24 0.11 0.00 0.82 0.00 0.00 66.70 65.19 2pdz h VAL 68 Cb 2.01 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 33.98 2pdz h VAL 68 CO 0.24 0.68 0.61 -0.61 0.02 0.00 0.00 177.57 178.52 2pdz h GLN 69 N 0.36 0.91 -0.02 1.57 4.15 -1.33 0.39 115.11 121.14 2pdz h GLN 69 Ca -0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 2pdz h GLN 69 Cb 1.54 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 29.02 2pdz h GLN 69 CO 0.17 0.61 -0.03 0.00 -1.93 0.00 0.00 178.83 177.65 2pdz h ALA 70 N 1.54 0.03 0.00 3.38 0.00 -1.51 -2.23 119.26 120.47 2pdz h ALA 70 Ca 0.45 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pdz h ALA 70 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2pdz h ALA 70 CO -0.21 -0.18 -0.02 -0.07 0.00 0.00 0.00 179.25 178.77 2pdz h LEU 71 N -0.45 0.00 -0.10 0.00 3.38 -1.16 0.32 115.31 117.30 2pdz h LEU 71 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2pdz h LEU 71 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2pdz h LEU 71 CO 0.01 0.02 -0.99 0.11 0.09 0.00 0.00 178.44 177.67 2pdz h LYS 72 N 0.00 0.50 -1.56 1.13 1.57 -0.01 -3.32 116.57 114.88 2pdz h LYS 72 Ca -0.00 -0.55 -0.57 0.00 -1.87 0.00 0.00 60.65 57.65 2pdz h LYS 72 Cb 0.07 0.16 -0.42 0.00 0.08 0.00 0.00 32.23 32.12 2pdz h LYS 72 CO 0.00 1.19 -0.76 1.17 -0.57 0.00 0.00 179.45 180.48 2pdz n LYS 73 N -3.77 3.21 0.00 3.15 4.81 -0.46 -4.96 118.16 120.15 2pdz n LYS 73 Ca -0.08 -4.44 0.00 0.00 -0.87 0.00 0.00 58.31 52.92 2pdz n LYS 73 Cb 0.86 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.75 2pdz n LYS 73 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2pdz n THR 74 N -0.42 0.00 -1.15 3.15 -2.24 0.10 -4.89 114.28 108.83 2pdz n THR 74 Ca 0.36 0.73 0.00 0.00 -2.27 0.00 0.00 64.05 62.87 2pdz n THR 74 Cb 0.65 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2pdz n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pdz n GLY 75 N -0.32 -0.13 0.34 3.38 0.00 -1.26 -4.90 105.19 102.30 2pdz n GLY 75 Ca 0.00 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.52 2pdz n GLY 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pdz h LYS 76 N 4.46 0.59 -4.56 1.61 2.10 -1.87 -3.35 116.57 115.56 2pdz h LYS 76 Ca 0.00 -0.04 -0.52 0.00 -2.00 0.00 0.00 60.65 58.10 2pdz h LYS 76 Cb 0.00 -0.13 -0.33 0.00 -0.90 0.00 0.00 32.23 30.86 2pdz h LYS 76 CO 0.00 0.39 -0.82 -1.83 -2.00 0.00 0.00 179.45 175.19 2pdz s GLU 77 N -5.80 1.72 -1.15 0.07 -1.05 -1.25 -1.19 118.70 110.05 2pdz s GLU 77 Ca -0.11 -0.42 -0.10 0.00 -0.15 0.00 0.00 54.97 54.19 2pdz s GLU 77 Cb 0.26 -1.42 0.25 0.00 -0.44 0.00 0.00 34.13 32.78 2pdz s GLU 77 CO 0.80 0.03 1.23 0.28 0.95 0.00 0.00 175.26 178.55 2pdz n VAL 78 N 3.81 4.50 -2.28 1.83 0.31 0.96 -4.84 118.33 122.62 2pdz n VAL 78 Ca -0.23 -5.20 -0.43 0.00 -0.01 0.00 0.00 64.34 58.48 2pdz n VAL 78 Cb 0.52 -2.54 -0.02 0.00 -0.91 0.00 0.00 33.84 30.89 2pdz n VAL 78 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pdz s VAL 79 N -0.47 3.87 -0.26 2.52 1.01 -1.26 -1.51 120.40 124.30 2pdz s VAL 79 Ca 0.35 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.29 2pdz s VAL 79 Cb -0.07 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.33 2pdz s VAL 79 CO -0.05 -0.57 -0.11 -0.76 0.00 0.00 0.00 175.10 173.62 2pdz s LEU 80 N 5.31 3.38 -0.03 3.92 1.02 0.21 0.15 118.68 132.64 2pdz s LEU 80 Ca 0.64 -1.38 -0.30 0.00 0.02 0.00 0.00 54.13 53.11 2pdz s LEU 80 Cb -0.17 -1.53 -0.05 0.00 0.02 0.00 0.00 46.19 44.46 2pdz s LEU 80 CO 0.30 -0.19 1.50 -0.70 0.02 0.00 0.00 176.35 177.28 2pdz s GLU 81 N 1.12 4.23 0.07 1.70 2.56 -0.85 -1.84 118.70 125.69 2pdz s GLU 81 Ca -0.09 2.04 0.09 0.00 0.00 0.00 0.00 54.97 57.02 2pdz s GLU 81 Cb -0.20 -3.74 -0.03 0.00 2.00 0.00 0.00 34.13 32.16 2pdz s GLU 81 CO -0.05 -0.70 -0.23 0.54 -0.56 0.00 0.00 175.26 174.26 2pdz s VAL 82 N 3.13 2.46 -0.80 3.70 0.11 -0.55 -1.62 120.40 126.83 2pdz s VAL 82 Ca 0.67 -1.41 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2pdz s VAL 82 Cb -0.32 -2.03 0.20 0.00 -1.53 0.00 0.00 36.38 32.70 2pdz s VAL 82 CO 0.27 0.27 0.64 -0.54 -3.33 0.00 0.00 175.10 172.41 2pdz s LYS 83 N -1.57 2.94 0.01 1.54 1.02 0.29 0.14 119.74 124.11 2pdz s LYS 83 Ca 0.14 -3.14 -0.37 0.00 0.02 0.00 0.00 55.97 52.62 2pdz s LYS 83 Cb -0.10 -3.79 -0.16 0.00 -0.52 0.00 0.00 37.83 33.27 2pdz s LYS 83 CO 0.05 -1.25 1.52 0.98 -0.92 0.00 0.00 175.35 175.73 2pdz n TYR 84 N 2.48 1.84 -2.67 3.18 4.19 -1.26 -2.46 117.16 122.45 2pdz n TYR 84 Ca 0.18 0.49 -0.26 0.00 3.31 0.00 0.00 57.90 61.63 2pdz n TYR 84 Cb 0.37 -2.43 -0.01 0.00 0.49 0.00 0.00 39.34 37.76 2pdz n TYR 84 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 2pdz n MET 85 N 3.64 3.15 0.00 2.98 2.81 -0.20 -4.87 117.12 124.63 2pdz n MET 85 Ca 0.20 -4.52 0.00 0.00 -1.81 0.00 0.00 57.70 51.57 2pdz n MET 85 Cb 0.21 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 2pdz n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11