#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 1.58 -0.06 5.56 0.52 0.38 -4.67 118.95 122.26 2pdz s ARG 2 Ca 0.00 -0.97 -0.02 0.00 -0.52 0.00 0.00 55.73 54.22 2pdz s ARG 2 Cb 0.00 0.55 0.03 0.00 0.52 0.00 0.00 34.95 36.06 2pdz s ARG 2 CO 0.00 -0.70 0.05 1.03 0.02 0.00 0.00 175.30 175.70 2pdz s ARG 3 N -3.91 0.13 -0.09 3.54 0.52 -1.26 -1.72 118.95 116.15 2pdz s ARG 3 Ca 0.12 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 2pdz s ARG 3 Cb -0.03 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.68 2pdz s ARG 3 CO 0.03 -0.36 -0.12 0.08 0.02 0.00 0.00 175.30 174.95 2pdz s VAL 4 N 2.11 1.24 -0.24 3.52 1.01 -0.72 -4.95 120.40 122.36 2pdz s VAL 4 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2pdz s VAL 4 Cb -0.12 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.13 2pdz s VAL 4 CO -0.04 0.39 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 2pdz s THR 5 N 1.01 2.55 -0.38 3.92 2.01 -1.26 0.69 115.64 124.18 2pdz s THR 5 Ca -0.07 -1.19 -0.12 0.00 0.31 0.00 0.00 61.69 60.61 2pdz s THR 5 Cb -0.15 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.06 2pdz s THR 5 CO -0.01 0.18 0.23 -0.69 -0.69 0.00 0.00 174.62 173.64 2pdz s VAL 6 N 1.26 4.83 -0.04 3.82 1.01 -0.38 -4.88 120.40 126.02 2pdz s VAL 6 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2pdz s VAL 6 Cb -0.17 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2pdz s VAL 6 CO -0.06 -0.21 1.38 -0.13 0.00 0.00 0.00 175.10 176.08 2pdz s ARG 7 N 1.61 4.27 0.00 2.72 0.52 -1.26 0.08 118.95 126.89 2pdz s ARG 7 Ca 0.03 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 2pdz s ARG 7 Cb -0.19 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.63 2pdz s ARG 7 CO 0.08 -0.61 0.60 1.17 0.02 0.00 0.00 175.30 176.55 2pdz n LYS 8 N 5.77 0.00 0.00 3.54 0.00 -0.69 -4.78 118.16 122.00 2pdz n LYS 8 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.91 2pdz n LYS 8 Cb 0.44 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.20 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pdz n ALA 9 N -1.89 0.00 -3.44 3.14 0.00 -1.25 -4.37 120.51 112.69 2pdz n ALA 9 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2pdz n ALA 9 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2pdz n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pdz s ASP 10 N -0.24 -1.03 -0.30 0.00 1.01 -1.26 -5.15 116.67 109.70 2pdz s ASP 10 Ca 0.00 1.15 -0.17 0.00 0.71 0.00 0.00 52.55 54.25 2pdz s ASP 10 Cb 0.00 2.07 0.18 0.00 1.01 0.00 0.00 42.92 46.18 2pdz s ASP 10 CO 0.00 -0.20 1.15 0.00 0.21 0.00 0.00 175.17 176.33 2pdz s ALA 11 N 2.79 -2.72 0.06 5.23 0.00 -1.26 -5.07 121.76 120.80 2pdz s ALA 11 Ca 0.01 2.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.77 2pdz s ALA 11 Cb -0.11 -2.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 2pdz s ALA 11 CO -0.19 -0.58 1.33 0.78 0.00 0.00 0.00 175.76 177.11 2pdz h GLY 12 N 6.19 -1.20 0.00 0.00 0.00 -2.01 -3.45 103.07 102.61 2pdz h GLY 12 Ca -0.22 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2pdz h GLY 12 CO 0.16 -0.35 0.00 0.61 0.00 0.00 0.00 176.54 176.96 2pdz n GLY 13 N -1.29 4.20 0.00 4.60 0.00 -1.26 -5.06 105.19 106.38 2pdz n GLY 13 Ca -0.05 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 0.07 -2.57 0.99 0.00 -1.26 -4.68 117.00 109.54 2pdz n LEU 14 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 56.01 55.85 2pdz n LEU 14 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.43 2pdz n LEU 14 CO 0.00 0.02 -0.03 0.61 0.00 0.00 0.00 177.39 177.98 2pdz n GLY 15 N 1.89 -1.67 3.22 -3.96 0.00 -1.26 -2.31 105.19 101.10 2pdz n GLY 15 Ca -0.01 0.89 0.04 0.00 0.00 0.00 0.00 46.02 46.94 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 -2.14 -0.18 -0.23 -0.61 2.07 -1.26 -3.68 121.20 115.17 2pdz s ILE 16 Ca 0.17 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.37 2pdz s ILE 16 Cb -0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.54 2pdz s ILE 16 CO 0.62 0.00 -0.04 -0.55 -1.91 0.00 0.00 174.94 173.07 2pdz s SER 17 N 2.34 4.35 0.12 4.50 0.15 -0.34 -4.98 113.70 119.85 2pdz s SER 17 Ca -0.02 -0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 2pdz s SER 17 Cb -0.04 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.47 2pdz s SER 17 CO -0.15 -0.03 0.37 0.27 1.20 0.00 0.00 173.24 174.90 2pdz s ILE 18 N 1.48 5.17 -0.03 6.45 -4.36 -1.26 -1.22 121.20 127.43 2pdz s ILE 18 Ca 0.05 0.08 0.02 0.00 -0.26 0.00 0.00 60.65 60.55 2pdz s ILE 18 Cb -0.14 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 39.95 2pdz s ILE 18 CO -0.03 0.10 -0.08 -0.54 0.24 0.00 0.00 174.94 174.62 2pdz s LYS 19 N -2.49 0.94 0.00 0.37 1.02 0.28 -4.80 119.74 115.06 2pdz s LYS 19 Ca 0.39 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.11 2pdz s LYS 19 Cb -0.12 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 2pdz s LYS 19 CO 0.23 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2pdz n GLY 20 N 3.43 0.82 0.00 -3.33 0.00 -1.26 -1.33 105.19 103.51 2pdz n GLY 20 Ca -0.19 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 2.66 0.21 -0.02 0.00 -1.26 -4.63 105.19 102.15 2pdz n GLY 21 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.73 0.15 114.38 124.05 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 -1.91 2.80 0.00 0.00 179.97 180.86 2pdz n GLU 23 N -2.45 0.11 -0.51 0.20 2.13 -1.26 -3.01 120.64 115.85 2pdz n GLU 23 Ca -0.02 0.24 0.07 0.00 0.66 0.00 0.00 57.16 58.11 2pdz n GLU 23 Cb 0.06 -1.67 0.18 0.00 0.27 0.00 0.00 31.44 30.28 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2pdz n ASN 24 N -1.88 1.80 -3.76 4.31 5.03 0.03 -4.97 115.26 115.82 2pdz n ASN 24 Ca 0.04 -3.61 -0.22 0.00 0.87 0.00 0.00 54.58 51.66 2pdz n ASN 24 Cb 0.28 -0.49 0.02 0.00 -1.02 0.00 0.00 39.78 38.57 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 -1.11 -4.58 -4.21 3.52 5.02 -1.16 -4.94 118.16 110.69 2pdz n LYS 25 Ca 0.17 0.57 -0.29 0.00 -2.02 0.00 0.00 58.31 56.75 2pdz n LYS 25 Cb 0.70 -5.05 -0.17 0.00 -0.02 0.00 0.00 35.03 30.50 2pdz n LYS 25 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2pdz s MET 26 N -6.12 2.19 -0.09 1.97 -1.94 -1.18 -5.02 119.30 109.11 2pdz s MET 26 Ca 0.02 -0.53 -0.04 0.00 -1.71 0.00 0.00 55.69 53.43 2pdz s MET 26 Cb -0.01 -1.95 -0.16 0.00 2.01 0.00 0.00 34.83 34.71 2pdz s MET 26 CO 0.83 -0.16 2.46 -0.35 -0.01 0.00 0.00 175.02 177.79 2pdz n PRO 27 N 4.52 1.36 -3.15 2.03 -0.04 -1.26 -4.01 135.00 134.44 2pdz n PRO 27 Ca -0.18 -0.71 -0.05 0.00 -0.04 0.00 0.00 63.50 62.52 2pdz n PRO 27 Cb 0.51 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.81 -3.90 -3.65 0.52 2.08 -1.26 -1.58 119.36 114.38 2pdz n ILE 28 Ca 0.29 0.66 -0.36 0.00 0.56 0.00 0.00 62.75 63.90 2pdz n ILE 28 Cb 0.54 -3.73 -0.07 0.00 -0.75 0.00 0.00 39.64 35.63 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 -1.30 4.28 0.28 1.39 1.43 -0.44 -0.37 118.68 123.94 2pdz s LEU 29 Ca 0.05 0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 53.31 2pdz s LEU 29 Cb -0.01 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 2pdz s LEU 29 CO 0.24 0.19 1.27 -0.63 0.23 0.00 0.00 176.35 177.65 2pdz s ILE 30 N 0.06 3.02 -0.00 -0.59 1.01 -0.47 0.10 121.20 124.33 2pdz s ILE 30 Ca 0.14 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2pdz s ILE 30 Cb -0.12 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 2pdz s ILE 30 CO 0.03 0.20 0.00 -0.24 0.00 0.00 0.00 174.94 174.93 2pdz n SER 31 N 1.46 4.96 -3.59 3.58 2.88 -0.35 -0.30 113.62 122.26 2pdz n SER 31 Ca 0.02 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.30 2pdz n SER 31 Cb 0.43 0.77 -0.16 0.00 -0.75 0.00 0.00 64.21 64.49 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 -2.01 0.09 -0.64 -1.46 2.20 -1.12 -4.83 119.74 111.97 2pdz s LYS 32 Ca -0.00 -0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 55.29 2pdz s LYS 32 Cb 0.00 -1.67 0.11 0.00 -1.51 0.00 0.00 37.83 34.77 2pdz s LYS 32 CO 0.01 -0.73 0.76 0.42 -0.36 0.00 0.00 175.35 175.45 2pdz s ILE 33 N 2.15 4.84 0.20 5.43 -1.09 -1.26 -1.19 121.20 130.27 2pdz s ILE 33 Ca 0.04 -1.11 -0.32 0.00 -2.23 0.00 0.00 60.65 57.02 2pdz s ILE 33 Cb -0.16 -4.53 -0.13 0.00 -1.58 0.00 0.00 42.46 36.07 2pdz s ILE 33 CO -0.14 -1.18 1.64 0.49 -1.23 0.00 0.00 174.94 174.52 2pdz n PHE 34 N 6.27 2.56 -1.67 3.97 3.01 -1.24 -4.90 117.46 125.46 2pdz n PHE 34 Ca -0.05 0.17 -0.29 0.00 1.01 0.00 0.00 57.45 58.29 2pdz n PHE 34 Cb 0.43 -2.61 0.14 0.00 -0.01 0.00 0.00 39.48 37.43 2pdz n PHE 34 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2pdz s LYS 35 N 0.80 1.15 -1.66 -1.08 -2.85 -1.26 -3.88 119.74 110.97 2pdz s LYS 35 Ca 0.75 0.11 -0.01 0.00 -1.00 0.00 0.00 55.97 55.82 2pdz s LYS 35 Cb -0.58 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.34 2pdz s LYS 35 CO 0.37 -2.15 0.07 0.41 0.10 0.00 0.00 175.35 174.14 2pdz n GLY 36 N -2.68 -0.50 3.14 0.59 0.00 -1.26 -4.96 105.19 99.52 2pdz n GLY 36 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.05 2.26 0.04 0.99 1.43 -1.25 -4.99 118.68 111.10 2pdz s LEU 37 Ca 0.03 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 2pdz s LEU 37 Cb -0.02 0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 2pdz s LEU 37 CO 0.04 -0.60 1.18 0.00 0.23 0.00 0.00 176.35 177.20 2pdz h ALA 38 N 2.98 -0.57 -1.17 4.21 0.00 -1.83 1.00 119.26 123.88 2pdz h ALA 38 Ca -0.35 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 54.88 2pdz h ALA 38 Cb 1.17 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 2pdz h ALA 38 CO 0.64 -0.63 0.80 0.00 0.00 0.00 0.00 179.25 180.05 2pdz h ALA 39 N -1.04 2.77 0.00 0.00 0.00 -1.64 0.34 119.26 119.69 2pdz h ALA 39 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pdz h ALA 39 Cb 0.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2pdz h ALA 39 CO -0.15 -1.17 -1.57 -3.47 0.00 0.00 0.00 179.25 172.89 2pdz n ASP 40 N -4.39 0.37 -1.20 0.00 -0.08 -0.63 -3.34 116.55 107.28 2pdz n ASP 40 Ca 0.27 0.13 0.07 0.00 -1.51 0.00 0.00 54.79 53.75 2pdz n ASP 40 Cb 1.15 1.33 0.25 0.00 2.34 0.00 0.00 41.12 46.20 2pdz n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pdz n GLN 41 N -2.43 2.94 -0.38 -0.67 -0.00 0.34 -4.01 117.38 113.16 2pdz n GLN 41 Ca -0.02 -2.02 0.08 0.00 -0.00 0.00 0.00 57.00 55.04 2pdz n GLN 41 Cb 0.56 -1.71 0.24 0.00 -0.00 0.00 0.00 30.24 29.33 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 0.73 1.59 -4.17 -0.39 5.66 -0.92 -4.97 114.28 111.80 2pdz n THR 42 Ca 0.18 -1.30 -0.31 0.00 -3.05 0.00 0.00 64.05 59.57 2pdz n THR 42 Cb 0.67 0.19 -0.05 0.00 -1.55 0.00 0.00 70.33 69.58 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 0.43 -2.35 0.03 1.09 -0.58 -1.26 -4.58 120.64 113.43 2pdz n GLU 43 Ca 0.19 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 2pdz n GLU 43 Cb 0.69 -4.40 0.00 0.00 -0.57 0.00 0.00 31.44 27.16 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 -4.42 0.00 -2.10 0.62 0.00 -1.26 -5.01 120.51 108.33 2pdz n ALA 44 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 2pdz n ALA 44 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 -5.11 3.14 0.18 0.00 1.43 -1.21 -4.90 118.68 112.21 2pdz s LEU 45 Ca 0.00 -1.44 0.07 0.00 -1.03 0.00 0.00 54.13 51.73 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 -2.85 0.02 0.72 0.23 0.00 0.00 176.35 174.47 2pdz s PHE 46 N 10.24 2.87 1.07 0.29 -0.12 -1.26 -4.26 117.98 126.82 2pdz s PHE 46 Ca 0.67 -0.13 -0.18 0.00 -0.05 0.00 0.00 56.93 57.25 2pdz s PHE 46 Cb -0.02 -1.38 0.06 0.00 -0.63 0.00 0.00 43.02 41.05 2pdz s PHE 46 CO 0.09 0.52 -0.03 0.28 -0.05 0.00 0.00 175.22 176.03 2pdz n VAL 47 N -0.21 0.00 -2.46 -2.49 0.31 -1.26 -3.29 118.33 108.93 2pdz n VAL 47 Ca -0.09 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 2pdz n VAL 47 Cb 0.55 -0.55 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 2.05 -0.11 3.14 2.92 0.00 0.59 -4.88 105.19 108.90 2pdz n GLY 48 Ca 0.02 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.61 5.08 -0.59 1.61 1.01 -1.21 -0.04 116.67 119.93 2pdz s ASP 49 Ca 0.08 -1.70 -0.28 0.00 0.71 0.00 0.00 52.55 51.37 2pdz s ASP 49 Cb -0.04 -1.77 0.03 0.00 1.01 0.00 0.00 42.92 42.15 2pdz s ASP 49 CO 0.10 -0.41 1.18 0.00 0.21 0.00 0.00 175.17 176.25 2pdz s ALA 50 N 1.18 2.99 0.17 5.23 0.00 -1.01 -1.37 121.76 128.96 2pdz s ALA 50 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 2pdz s ALA 50 Cb -0.21 -4.03 -0.07 0.00 0.00 0.00 0.00 23.12 18.81 2pdz s ALA 50 CO -0.03 -2.68 1.06 0.42 0.00 0.00 0.00 175.76 174.53 2pdz s ILE 51 N 4.92 3.99 0.00 0.00 1.01 0.51 0.83 121.20 132.45 2pdz s ILE 51 Ca 0.41 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.79 2pdz s ILE 51 Cb -0.08 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2pdz s ILE 51 CO 0.24 0.30 0.90 0.18 0.00 0.00 0.00 174.94 176.56 2pdz n LEU 52 N 2.36 1.77 -3.65 2.97 7.99 -0.64 -4.30 117.00 123.51 2pdz n LEU 52 Ca 0.02 -1.77 -0.00 0.00 -0.01 0.00 0.00 56.01 54.25 2pdz n LEU 52 Cb 0.47 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.71 2pdz n LEU 52 CO 0.53 0.44 1.09 -0.55 -1.51 0.00 0.00 177.39 177.40 2pdz s SER 53 N -0.80 -0.06 -0.17 -1.43 0.15 -1.25 -0.46 113.70 109.68 2pdz s SER 53 Ca 0.00 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.74 2pdz s SER 53 Cb 0.00 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 2pdz s SER 53 CO 0.00 -0.02 -0.05 0.68 1.20 0.00 0.00 173.24 175.06 2pdz s VAL 54 N 0.48 1.09 -1.65 4.45 -7.23 -1.01 -1.22 120.40 115.31 2pdz s VAL 54 Ca 0.00 -0.64 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 2pdz s VAL 54 Cb -0.04 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2pdz s VAL 54 CO -0.13 0.11 0.13 0.59 -0.31 0.00 0.00 175.10 175.49 2pdz n ASN 55 N 4.88 -5.71 0.00 4.85 3.02 0.15 -1.71 115.26 120.75 2pdz n ASN 55 Ca -0.12 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2pdz n ASN 55 Cb 0.48 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 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 -1.10 0.81 3.09 7.41 0.00 -1.26 -5.00 105.19 109.14 2pdz n GLY 56 Ca -0.21 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 2pdz n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pdz s GLU 57 N -0.97 2.71 -0.77 1.61 0.41 -0.69 -5.03 118.70 115.96 2pdz s GLU 57 Ca 0.00 -2.72 -0.31 0.00 -0.41 0.00 0.00 54.97 51.54 2pdz s GLU 57 Cb 0.00 -3.76 -0.17 0.00 -1.78 0.00 0.00 34.13 28.42 2pdz s GLU 57 CO 0.00 -1.20 2.55 -0.40 -0.49 0.00 0.00 175.26 175.72 2pdz n ASP 58 N 3.19 1.05 0.04 -0.19 5.75 -1.26 -2.40 116.55 122.73 2pdz n ASP 58 Ca 0.11 0.02 0.13 0.00 -0.01 0.00 0.00 54.79 55.05 2pdz n ASP 58 Cb 0.37 -1.14 0.48 0.00 -1.03 0.00 0.00 41.12 39.80 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2pdz n LEU 59 N 11.88 0.37 -0.33 -2.12 4.77 0.39 -3.78 117.00 128.18 2pdz n LEU 59 Ca 0.55 0.45 0.31 0.00 -0.03 0.00 0.00 56.01 57.29 2pdz n LEU 59 Cb 0.19 -0.39 0.67 0.00 -2.33 0.00 0.00 43.42 41.56 2pdz n LEU 59 CO 0.86 -0.05 1.28 -1.28 -1.33 0.00 0.00 177.39 176.87 2pdz h SER 60 N 0.00 0.16 -0.27 -1.43 0.87 -1.81 0.87 113.55 111.94 2pdz h SER 60 Ca 0.00 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2pdz h SER 60 Cb 0.60 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 2pdz h SER 60 CO 0.00 0.02 -0.01 -0.24 -0.53 0.00 0.00 176.83 176.07 2pdz n SER 61 N -4.35 3.40 -4.59 6.23 2.88 -1.25 -4.99 113.62 110.95 2pdz n SER 61 Ca 0.26 -3.23 -0.28 0.00 -1.33 0.00 0.00 58.87 54.29 2pdz n SER 61 Cb 1.13 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 2pdz n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pdz s ALA 62 N -2.95 3.00 0.67 -1.46 0.00 0.30 -5.11 121.76 116.21 2pdz s ALA 62 Ca 0.42 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2pdz s ALA 62 Cb 0.36 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.68 2pdz s ALA 62 CO 0.06 0.54 0.97 0.95 0.00 0.00 0.00 175.76 178.28 2pdz s THR 63 N -1.50 2.36 0.59 0.00 -4.23 -1.26 -4.22 115.64 107.38 2pdz s THR 63 Ca 0.24 -0.34 0.29 0.00 -1.18 0.00 0.00 61.69 60.69 2pdz s THR 63 Cb -0.10 -3.01 0.37 0.00 1.34 0.00 0.00 72.50 71.11 2pdz s THR 63 CO 0.15 -0.01 1.97 -0.74 -0.54 0.00 0.00 174.62 175.46 2pdz h HIS 64 N -0.47 0.00 0.06 3.99 2.76 -1.88 0.10 115.15 119.71 2pdz h HIS 64 Ca -0.44 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.48 2pdz h HIS 64 Cb 1.31 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.28 2pdz h HIS 64 CO 0.34 0.00 -1.09 -0.44 -1.30 0.00 0.00 177.93 175.45 2pdz h ASP 65 N 0.00 0.56 1.11 3.26 3.32 -1.93 -2.60 116.42 120.14 2pdz h ASP 65 Ca 0.16 -0.50 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2pdz h ASP 65 Cb 0.91 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2pdz h ASP 65 CO -0.00 1.33 -0.20 -0.33 -1.72 0.00 0.00 179.24 178.32 2pdz h GLU 66 N 0.19 0.00 0.19 3.56 4.39 -1.17 -2.44 114.58 119.30 2pdz h GLU 66 Ca -0.12 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.26 2pdz h GLU 66 Cb 1.75 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.42 2pdz h GLU 66 CO 0.19 0.20 -1.53 0.00 -1.16 0.00 0.00 179.01 176.71 2pdz h ALA 67 N 1.80 0.05 0.00 3.43 0.00 -1.30 -3.29 119.26 119.96 2pdz h ALA 67 Ca -0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 54.91 53.79 2pdz h ALA 67 Cb 0.81 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2pdz h ALA 67 CO 0.03 0.92 -0.57 0.28 0.00 0.00 0.00 179.25 179.90 2pdz h VAL 68 N 0.11 1.33 -0.66 0.00 2.07 -1.43 -2.89 116.25 114.78 2pdz h VAL 68 Ca -0.26 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 2pdz h VAL 68 Cb 2.09 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 2pdz h VAL 68 CO 0.22 0.56 0.36 -0.61 0.02 0.00 0.00 177.57 178.11 2pdz h GLN 69 N 0.00 0.92 0.01 1.57 4.15 -1.52 0.61 115.11 120.86 2pdz h GLN 69 Ca -0.01 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2pdz h GLN 69 Cb 1.06 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2pdz h GLN 69 CO 0.07 0.68 -0.01 0.00 -1.93 0.00 0.00 178.83 177.65 2pdz h ALA 70 N 1.47 -0.02 -0.09 3.38 0.00 -1.59 -2.32 119.26 120.09 2pdz h ALA 70 Ca 0.24 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pdz h ALA 70 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pdz h ALA 70 CO -0.04 -0.22 0.13 -0.07 0.00 0.00 0.00 179.25 179.06 2pdz h LEU 71 N -0.60 0.00 0.01 0.00 3.38 -1.30 0.53 115.31 117.34 2pdz h LEU 71 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2pdz h LEU 71 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pdz h LEU 71 CO 0.00 0.00 -1.13 0.11 0.09 0.00 0.00 178.44 177.52 2pdz h LYS 72 N 0.00 0.30 -1.61 1.13 1.57 -0.64 -3.36 116.57 113.96 2pdz h LYS 72 Ca 0.04 -0.43 -0.49 0.00 -1.87 0.00 0.00 60.65 57.90 2pdz h LYS 72 Cb 0.31 0.15 -0.41 0.00 0.08 0.00 0.00 32.23 32.36 2pdz h LYS 72 CO -0.00 1.16 -0.97 1.17 -0.57 0.00 0.00 179.45 180.25 2pdz n LYS 73 N -3.60 2.12 0.00 3.15 3.00 0.08 -4.99 118.16 117.92 2pdz n LYS 73 Ca -0.07 -3.93 0.00 0.00 -0.00 0.00 0.00 58.31 54.31 2pdz n LYS 73 Cb 0.95 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 34.17 2pdz n LYS 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2pdz n THR 74 N -0.13 0.00 -2.62 3.15 -2.24 0.16 -4.88 114.28 107.73 2pdz n THR 74 Ca 0.25 0.76 0.00 0.00 -2.27 0.00 0.00 64.05 62.79 2pdz n THR 74 Cb 0.66 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 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 -0.29 -0.77 0.43 3.38 0.00 -1.26 -4.91 105.19 101.77 2pdz n GLY 75 Ca 0.00 -1.44 0.27 0.00 0.00 0.00 0.00 46.02 44.86 2pdz n GLY 75 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pdz h LYS 76 N 2.31 0.27 -4.18 1.61 3.64 -1.97 -3.39 116.57 114.86 2pdz h LYS 76 Ca 0.00 -0.02 -0.43 0.00 -1.27 0.00 0.00 60.65 58.93 2pdz h LYS 76 Cb 0.00 -0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 31.42 2pdz h LYS 76 CO 0.00 0.18 -0.78 -1.83 -2.27 0.00 0.00 179.45 174.75 2pdz s GLU 77 N -5.39 1.04 -1.12 1.90 -1.05 -1.26 -1.70 118.70 111.11 2pdz s GLU 77 Ca -0.08 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 54.42 2pdz s GLU 77 Cb 0.26 -0.96 0.22 0.00 -0.44 0.00 0.00 34.13 33.21 2pdz s GLU 77 CO 0.80 -0.04 1.23 0.08 0.95 0.00 0.00 175.26 178.29 2pdz s VAL 78 N 0.78 5.46 -0.21 1.83 1.01 0.11 -4.86 120.40 124.52 2pdz s VAL 78 Ca -0.12 -2.88 -0.29 0.00 0.00 0.00 0.00 61.98 58.69 2pdz s VAL 78 Cb -0.14 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.47 2pdz s VAL 78 CO 0.01 -1.39 1.46 -0.69 0.00 0.00 0.00 175.10 174.49 2pdz s VAL 79 N 0.38 3.93 -0.25 2.92 1.01 -1.26 -1.24 120.40 125.88 2pdz s VAL 79 Ca 0.35 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2pdz s VAL 79 Cb -0.06 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.52 2pdz s VAL 79 CO -0.05 -0.28 -0.04 -0.76 0.00 0.00 0.00 175.10 173.97 2pdz s LEU 80 N 4.45 2.90 0.09 3.92 1.02 0.22 0.34 118.68 131.62 2pdz s LEU 80 Ca 0.64 -1.33 -0.31 0.00 0.02 0.00 0.00 54.13 53.15 2pdz s LEU 80 Cb -0.23 -1.27 -0.07 0.00 0.02 0.00 0.00 46.19 44.64 2pdz s LEU 80 CO 0.24 -0.25 1.36 -0.70 0.02 0.00 0.00 176.35 177.02 2pdz s GLU 81 N 1.31 4.33 0.04 1.70 2.12 -0.36 -1.76 118.70 126.08 2pdz s GLU 81 Ca -0.04 2.00 0.05 0.00 0.36 0.00 0.00 54.97 57.35 2pdz s GLU 81 Cb -0.19 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 2pdz s GLU 81 CO -0.07 -0.43 -0.15 0.54 -0.54 0.00 0.00 175.26 174.61 2pdz s VAL 82 N 1.33 1.21 -0.80 3.70 0.11 -0.70 -1.61 120.40 123.64 2pdz s VAL 82 Ca 0.63 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2pdz s VAL 82 Cb -0.35 -1.09 0.20 0.00 -1.53 0.00 0.00 36.38 33.62 2pdz s VAL 82 CO 0.29 0.05 0.66 -0.75 -3.33 0.00 0.00 175.10 172.02 2pdz s LYS 83 N -1.12 3.01 -0.26 1.54 2.20 0.24 0.14 119.74 125.50 2pdz s LYS 83 Ca 0.03 -3.03 -0.39 0.00 -0.36 0.00 0.00 55.97 52.22 2pdz s LYS 83 Cb -0.08 -3.87 -0.15 0.00 -1.51 0.00 0.00 37.83 32.23 2pdz s LYS 83 CO 0.01 -1.24 1.80 0.98 -0.36 0.00 0.00 175.35 176.55 2pdz n TYR 84 N 2.71 2.08 -1.80 4.03 4.19 -1.26 -2.40 117.16 124.71 2pdz n TYR 84 Ca 0.17 0.43 -0.38 0.00 3.31 0.00 0.00 57.90 61.43 2pdz n TYR 84 Cb 0.37 -2.50 0.05 0.00 0.49 0.00 0.00 39.34 37.75 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 5.81 2.78 0.00 2.98 2.81 0.94 -4.84 117.12 127.59 2pdz n MET 85 Ca 0.27 -3.52 0.14 0.00 -1.81 0.00 0.00 57.70 52.78 2pdz n MET 85 Cb 0.16 -2.27 0.47 0.00 -0.71 0.00 0.00 33.22 30.86 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65