#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 0.87 -0.04 -0.14 6.06 0.42 -4.57 118.95 121.54 2pdz s ARG 2 Ca 0.00 0.68 0.06 0.00 -2.50 0.00 0.00 55.73 53.97 2pdz s ARG 2 Cb 0.00 0.42 -0.01 0.00 0.06 0.00 0.00 34.95 35.42 2pdz s ARG 2 CO 0.00 -0.17 -0.22 -0.98 -2.50 0.00 0.00 175.30 171.43 2pdz s ARG 3 N -0.19 2.15 -0.01 5.12 1.70 -1.26 0.92 118.95 127.38 2pdz s ARG 3 Ca -0.04 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 2pdz s ARG 3 Cb -0.03 -1.90 0.02 0.00 -0.57 0.00 0.00 34.95 32.47 2pdz s ARG 3 CO 0.04 0.37 0.01 0.08 -1.08 0.00 0.00 175.30 174.72 2pdz s VAL 4 N -0.21 0.04 -0.15 4.99 1.01 -0.72 -4.92 120.40 120.44 2pdz s VAL 4 Ca -0.00 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2pdz s VAL 4 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2pdz s VAL 4 CO 0.02 0.07 -0.18 -0.89 0.00 0.00 0.00 175.10 174.12 2pdz s THR 5 N 0.60 2.38 -0.11 3.92 2.01 -1.26 -0.12 115.64 123.06 2pdz s THR 5 Ca -0.05 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.11 2pdz s THR 5 Cb -0.08 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 2pdz s THR 5 CO -0.01 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 2pdz s VAL 6 N 0.82 2.33 -0.99 3.82 1.01 -0.35 -4.94 120.40 122.09 2pdz s VAL 6 Ca -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 2pdz s VAL 6 Cb -0.15 -1.92 0.22 0.00 0.00 0.00 0.00 36.38 34.52 2pdz s VAL 6 CO -0.01 0.55 1.04 -0.13 0.00 0.00 0.00 175.10 176.55 2pdz s ARG 7 N 0.43 3.87 0.85 2.72 0.52 -1.26 0.70 118.95 126.78 2pdz s ARG 7 Ca -0.15 -2.60 -0.10 0.00 -0.52 0.00 0.00 55.73 52.36 2pdz s ARG 7 Cb -0.17 -4.65 0.16 0.00 0.52 0.00 0.00 34.95 30.80 2pdz s ARG 7 CO 0.06 -1.43 1.19 0.21 0.02 0.00 0.00 175.30 175.35 2pdz s LYS 8 N 0.37 1.19 0.00 3.54 2.20 0.66 -4.96 119.74 122.75 2pdz s LYS 8 Ca 0.28 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2pdz s LYS 8 Cb -0.08 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 2pdz s LYS 8 CO -0.07 -1.96 0.00 0.00 -0.36 0.00 0.00 175.35 172.96 2pdz n ALA 9 N -3.38 0.00 -0.06 3.13 0.00 -1.26 -4.24 120.51 114.70 2pdz n ALA 9 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2pdz n ALA 9 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 2pdz n ALA 9 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2pdz h ASP 10 N 0.00 -0.79 -0.01 0.00 1.82 -1.96 -3.41 116.42 112.08 2pdz h ASP 10 Ca 0.00 0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.67 2pdz h ASP 10 Cb 0.00 0.37 -0.13 0.00 0.68 0.00 0.00 39.33 40.25 2pdz h ASP 10 CO 0.00 -0.28 -0.19 0.00 -1.61 0.00 0.00 179.24 177.17 2pdz n ALA 11 N -2.82 -2.88 -1.27 -0.78 0.00 -1.26 -4.98 120.51 106.51 2pdz n ALA 11 Ca -0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 2pdz n ALA 11 Cb 0.29 -2.62 0.14 0.00 0.00 0.00 0.00 19.45 17.26 2pdz n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdz n GLY 12 N 1.58 5.02 1.37 0.00 0.00 -1.26 -5.02 105.19 106.88 2pdz n GLY 12 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.06 -4.24 0.00 -0.02 0.00 -1.26 -4.87 105.19 93.74 2pdz n GLY 13 Ca 0.61 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.47 0.16 -2.80 0.99 0.00 -1.26 -4.37 117.00 108.26 2pdz n LEU 14 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 56.01 55.85 2pdz n LEU 14 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.57 2pdz n LEU 14 CO 0.00 0.04 -0.50 0.61 0.00 0.00 0.00 177.39 177.54 2pdz n GLY 15 N 1.67 -3.62 3.40 -3.96 0.00 -1.26 -3.11 105.19 98.30 2pdz n GLY 15 Ca -0.01 0.44 0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.48 -0.16 -0.18 -0.61 2.07 -1.26 -3.43 121.20 116.13 2pdz s ILE 16 Ca -0.01 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.20 2pdz s ILE 16 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2pdz s ILE 16 CO 0.65 0.00 -0.05 -0.55 -1.91 0.00 0.00 174.94 173.08 2pdz s SER 17 N 1.87 4.45 0.09 4.50 0.15 0.35 -4.97 113.70 120.14 2pdz s SER 17 Ca -0.03 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2pdz s SER 17 Cb -0.03 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2pdz s SER 17 CO -0.15 0.07 0.10 0.27 1.20 0.00 0.00 173.24 174.73 2pdz s ILE 18 N 0.92 4.60 0.11 6.45 -4.36 -1.26 -0.37 121.20 127.30 2pdz s ILE 18 Ca -0.01 -0.77 0.03 0.00 -0.26 0.00 0.00 60.65 59.64 2pdz s ILE 18 Cb -0.15 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 2pdz s ILE 18 CO 0.01 0.10 -0.08 -1.59 0.24 0.00 0.00 174.94 173.61 2pdz s LYS 19 N -2.49 0.91 0.00 0.37 -2.85 0.72 -4.77 119.74 111.62 2pdz s LYS 19 Ca 0.30 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2pdz s LYS 19 Cb -0.12 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.25 2pdz s LYS 19 CO 0.23 0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.12 2pdz n GLY 20 N 0.04 -0.78 0.00 0.59 0.00 -1.26 -0.30 105.19 103.48 2pdz n GLY 20 Ca -0.12 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 3.00 0.17 -0.02 0.00 -1.25 -4.63 105.19 102.46 2pdz n GLY 21 Ca 0.00 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2pdz n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pdz n ARG 22 N -0.76 0.15 0.23 1.61 0.63 -1.26 -0.94 116.66 116.32 2pdz n ARG 22 Ca 0.00 0.63 0.13 0.00 -0.92 0.00 0.00 57.85 57.70 2pdz n ARG 22 Cb 0.00 -1.97 0.30 0.00 0.45 0.00 0.00 32.46 31.24 2pdz n ARG 22 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2pdz h GLU 23 N 0.00 0.00 -0.31 -0.14 3.07 -1.92 -3.14 114.58 112.15 2pdz h GLU 23 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2pdz h GLU 23 Cb 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 2pdz h GLU 23 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2pdz n ASN 24 N -3.07 3.46 -3.58 1.42 3.02 -0.12 -4.96 115.26 111.42 2pdz n ASN 24 Ca 0.03 -3.26 -0.22 0.00 -0.03 0.00 0.00 54.58 51.10 2pdz n ASN 24 Cb 0.47 -0.58 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 2pdz n ASN 24 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2pdz n LYS 25 N -0.72 -3.41 -3.83 3.52 3.00 -1.19 -4.91 118.16 110.62 2pdz n LYS 25 Ca 0.26 0.64 -0.19 0.00 -0.00 0.00 0.00 58.31 59.03 2pdz n LYS 25 Cb 0.96 -5.07 -0.17 0.00 0.00 0.00 0.00 35.03 30.75 2pdz n LYS 25 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2pdz s MET 26 N -5.60 0.24 -0.18 1.64 -1.94 -1.14 -5.02 119.30 107.31 2pdz s MET 26 Ca 0.23 0.16 -0.03 0.00 -1.71 0.00 0.00 55.69 54.34 2pdz s MET 26 Cb -0.06 -0.56 -0.11 0.00 2.01 0.00 0.00 34.83 36.11 2pdz s MET 26 CO 0.81 -0.22 1.98 -0.35 -0.01 0.00 0.00 175.02 177.23 2pdz n PRO 27 N 4.61 1.14 -3.11 2.03 -0.04 -1.26 -3.81 135.00 134.56 2pdz n PRO 27 Ca -0.17 -0.67 -0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2pdz n PRO 27 Cb 0.50 -1.89 -0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 3.13 -3.45 -3.61 0.52 2.08 -1.26 -1.87 119.36 114.90 2pdz n ILE 28 Ca 0.25 0.68 -0.37 0.00 0.56 0.00 0.00 62.75 63.87 2pdz n ILE 28 Cb 0.36 -3.55 -0.09 0.00 -0.75 0.00 0.00 39.64 35.61 2pdz n ILE 28 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pdz s LEU 29 N -1.02 4.12 0.42 1.39 2.96 0.59 -1.23 118.68 125.91 2pdz s LEU 29 Ca -0.00 0.19 -0.26 0.00 -0.22 0.00 0.00 54.13 53.84 2pdz s LEU 29 Cb 0.00 -2.18 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 2pdz s LEU 29 CO 0.12 0.04 1.31 -0.38 -1.32 0.00 0.00 176.35 176.11 2pdz n ILE 30 N 4.31 2.54 0.00 6.68 5.41 -0.81 -0.20 119.36 137.29 2pdz n ILE 30 Ca -0.14 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.11 2pdz n ILE 30 Cb 0.52 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 2pdz n ILE 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2pdz n SER 31 N 0.19 3.92 -3.56 4.38 2.88 0.50 -1.72 113.62 120.23 2pdz n SER 31 Ca 0.06 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.34 2pdz n SER 31 Cb 0.40 0.55 -0.15 0.00 -0.75 0.00 0.00 64.21 64.26 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 -1.70 0.14 -0.34 -1.46 2.20 -1.05 -4.87 119.74 112.67 2pdz s LYS 32 Ca 0.00 -0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 2pdz s LYS 32 Cb 0.00 -1.43 -0.00 0.00 -1.51 0.00 0.00 37.83 34.89 2pdz s LYS 32 CO 0.00 -0.82 0.64 0.42 -0.36 0.00 0.00 175.35 175.23 2pdz s ILE 33 N 2.16 4.90 0.19 5.43 -1.09 -1.26 -0.49 121.20 131.04 2pdz s ILE 33 Ca 0.06 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 58.89 2pdz s ILE 33 Cb -0.16 -4.06 -0.08 0.00 -1.58 0.00 0.00 42.46 36.59 2pdz s ILE 33 CO -0.21 -0.25 1.08 -0.36 -1.23 0.00 0.00 174.94 173.96 2pdz s PHE 34 N 2.70 3.64 0.71 3.97 0.40 -1.22 -4.96 117.98 123.21 2pdz s PHE 34 Ca 0.25 1.66 -0.09 0.00 -0.60 0.00 0.00 56.93 58.14 2pdz s PHE 34 Cb -0.15 -3.24 0.04 0.00 0.51 0.00 0.00 43.02 40.19 2pdz s PHE 34 CO 0.14 -0.46 1.06 -1.59 0.70 0.00 0.00 175.22 175.07 2pdz s LYS 35 N -0.59 2.44 -1.39 0.44 0.00 -1.26 -4.02 119.74 115.36 2pdz s LYS 35 Ca 0.48 0.08 0.00 0.00 0.00 0.00 0.00 55.97 56.53 2pdz s LYS 35 Cb -0.29 -2.09 0.00 0.00 0.00 0.00 0.00 37.83 35.45 2pdz s LYS 35 CO 0.35 -1.18 0.00 0.41 0.00 0.00 0.00 175.35 174.93 2pdz n GLY 36 N -2.99 -0.10 3.14 0.59 0.00 -1.26 -4.99 105.19 99.58 2pdz n GLY 36 Ca 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.48 2.48 0.01 0.99 1.43 -1.26 -5.01 118.68 112.84 2pdz s LEU 37 Ca 0.00 -1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 2pdz s LEU 37 Cb 0.00 0.04 -0.00 0.00 0.03 0.00 0.00 46.19 46.26 2pdz s LEU 37 CO 0.00 -0.53 1.02 0.00 0.23 0.00 0.00 176.35 177.07 2pdz h ALA 38 N 3.03 -0.22 -0.79 4.21 0.00 -1.76 0.74 119.26 124.47 2pdz h ALA 38 Ca -0.35 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.75 2pdz h ALA 38 Cb 1.16 0.81 -0.14 0.00 0.00 0.00 0.00 17.79 19.62 2pdz h ALA 38 CO 0.65 -0.24 -0.00 0.00 0.00 0.00 0.00 179.25 179.66 2pdz h ALA 39 N -1.16 0.82 -0.10 0.00 0.00 -1.79 0.85 119.26 117.89 2pdz h ALA 39 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pdz h ALA 39 Cb 0.02 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pdz h ALA 39 CO -0.03 -0.44 0.00 -3.47 0.00 0.00 0.00 179.25 175.32 2pdz n ASP 40 N -5.37 0.90 -0.46 0.00 -0.08 -0.78 -3.20 116.55 107.56 2pdz n ASP 40 Ca 0.15 -1.62 0.08 0.00 -1.51 0.00 0.00 54.79 51.89 2pdz n ASP 40 Cb 0.50 -0.06 0.02 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.17 1.57 -0.62 -0.67 6.02 0.29 -4.36 117.38 119.44 2pdz n GLN 41 Ca 0.14 -1.02 0.10 0.00 -0.01 0.00 0.00 57.00 56.20 2pdz n GLN 41 Cb 0.20 -1.28 0.36 0.00 1.02 0.00 0.00 30.24 30.55 2pdz n GLN 41 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2pdz n THR 42 N 0.22 1.83 -4.06 5.09 5.66 -0.92 -4.93 114.28 117.16 2pdz n THR 42 Ca 0.08 -1.18 -0.34 0.00 -3.05 0.00 0.00 64.05 59.56 2pdz n THR 42 Cb 0.36 0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.25 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 1.18 -3.35 0.00 1.09 1.02 -1.26 -4.63 120.64 114.68 2pdz n GLU 43 Ca 0.26 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2pdz n GLU 43 Cb 0.90 -5.14 0.00 0.00 -0.02 0.00 0.00 31.44 27.18 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pdz n ALA 44 N -4.26 1.02 -2.15 0.62 0.00 -1.26 -4.99 120.51 109.48 2pdz n ALA 44 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2pdz n ALA 44 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 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 -4.28 3.22 0.20 0.00 1.43 -1.19 -4.91 118.68 113.15 2pdz s LEU 45 Ca 0.00 -1.27 0.09 0.00 -1.03 0.00 0.00 54.13 51.92 2pdz s LEU 45 Cb 0.00 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2pdz s LEU 45 CO 0.00 -2.61 -0.04 0.72 0.23 0.00 0.00 176.35 174.65 2pdz s PHE 46 N 9.41 2.72 1.01 0.29 -0.12 -1.26 -4.20 117.98 125.82 2pdz s PHE 46 Ca 0.66 -0.19 -0.15 0.00 -0.05 0.00 0.00 56.93 57.19 2pdz s PHE 46 Cb -0.03 -1.29 0.06 0.00 -0.63 0.00 0.00 43.02 41.13 2pdz s PHE 46 CO 0.04 0.55 0.24 0.28 -0.05 0.00 0.00 175.22 176.28 2pdz n VAL 47 N -0.29 0.00 -1.72 -2.49 0.31 -1.26 -3.16 118.33 109.72 2pdz n VAL 47 Ca -0.09 -0.23 -0.05 0.00 -0.01 0.00 0.00 64.34 63.96 2pdz n VAL 47 Cb 0.56 -0.60 -0.01 0.00 -0.91 0.00 0.00 33.84 32.88 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 1.72 0.39 3.13 2.92 0.00 -0.70 -4.92 105.19 107.74 2pdz n GLY 48 Ca 0.04 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.85 5.24 -0.47 1.61 1.01 -1.19 -1.24 116.67 118.78 2pdz s ASP 49 Ca 0.00 -1.93 -0.29 0.00 0.71 0.00 0.00 52.55 51.04 2pdz s ASP 49 Cb 0.00 -1.83 0.03 0.00 1.01 0.00 0.00 42.92 42.13 2pdz s ASP 49 CO 0.00 -0.52 1.17 0.00 0.21 0.00 0.00 175.17 176.04 2pdz s ALA 50 N 1.17 3.14 0.22 5.23 0.00 -1.03 -1.93 121.76 128.56 2pdz s ALA 50 Ca 0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2pdz s ALA 50 Cb -0.22 -3.91 -0.09 0.00 0.00 0.00 0.00 23.12 18.90 2pdz s ALA 50 CO -0.04 -2.29 0.99 0.42 0.00 0.00 0.00 175.76 174.85 2pdz s ILE 51 N 4.59 3.98 -0.02 0.00 1.01 -0.36 0.95 121.20 131.34 2pdz s ILE 51 Ca 0.50 1.91 0.02 0.00 0.00 0.00 0.00 60.65 63.08 2pdz s ILE 51 Cb -0.08 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.21 2pdz s ILE 51 CO 0.32 0.42 0.84 0.18 0.00 0.00 0.00 174.94 176.70 2pdz n LEU 52 N 1.70 0.51 0.00 2.97 4.32 -0.68 -4.31 117.00 121.51 2pdz n LEU 52 Ca -0.01 -1.01 0.00 0.00 -0.02 0.00 0.00 56.01 54.97 2pdz n LEU 52 Cb 0.47 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2pdz n LEU 52 CO 0.51 0.25 0.00 -0.24 -1.22 0.00 0.00 177.39 176.69 2pdz n SER 53 N -0.23 0.00 -4.60 -1.43 2.88 -1.26 -0.63 113.62 108.34 2pdz n SER 53 Ca 0.02 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 2pdz n SER 53 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2pdz s VAL 54 N 0.00 5.22 -1.63 2.46 -7.23 -1.07 -1.43 120.40 116.71 2pdz s VAL 54 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2pdz s VAL 54 Cb 0.00 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.48 2pdz s VAL 54 CO 0.00 0.30 0.00 0.59 -0.31 0.00 0.00 175.10 175.68 2pdz n ASN 55 N 4.71 -5.23 0.00 4.85 3.02 0.42 -1.61 115.26 121.41 2pdz n ASN 55 Ca -0.15 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2pdz n ASN 55 Cb 0.52 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 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 -0.85 0.87 3.05 7.41 0.00 -1.26 -4.95 105.19 109.45 2pdz n GLY 56 Ca -0.21 -0.46 -0.34 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 -1.23 2.16 -0.90 1.61 2.02 -0.64 -5.03 118.70 116.69 2pdz s GLU 57 Ca 0.00 -2.35 -0.32 0.00 0.02 0.00 0.00 54.97 52.31 2pdz s GLU 57 Cb 0.00 -3.52 -0.21 0.00 0.10 0.00 0.00 34.13 30.50 2pdz s GLU 57 CO 0.00 -1.11 2.61 -3.47 0.02 0.00 0.00 175.26 173.31 2pdz n ASP 58 N 3.66 0.50 0.04 -0.19 2.03 -1.26 -2.61 116.55 118.72 2pdz n ASP 58 Ca 0.05 0.20 0.12 0.00 0.52 0.00 0.00 54.79 55.68 2pdz n ASP 58 Cb 0.37 -0.96 0.26 0.00 -0.72 0.00 0.00 41.12 40.07 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2pdz n LEU 59 N 10.48 0.56 -0.13 -2.67 7.99 0.20 -3.98 117.00 129.45 2pdz n LEU 59 Ca 0.63 0.20 0.21 0.00 -0.01 0.00 0.00 56.01 57.04 2pdz n LEU 59 Cb 0.06 -0.25 0.63 0.00 -0.11 0.00 0.00 43.42 43.75 2pdz n LEU 59 CO 0.92 0.01 1.22 0.28 -1.51 0.00 0.00 177.39 178.30 2pdz h SER 60 N 0.00 0.16 -0.79 -1.43 0.02 -1.76 0.65 113.55 110.40 2pdz h SER 60 Ca 0.00 0.01 -0.46 0.00 -0.84 0.00 0.00 61.79 60.50 2pdz h SER 60 Cb 0.63 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 62.90 2pdz h SER 60 CO 0.00 0.07 0.36 -1.20 -1.14 0.00 0.00 176.83 174.92 2pdz n SER 61 N -4.39 4.40 -4.25 3.07 7.64 -1.26 -4.96 113.62 113.87 2pdz n SER 61 Ca 0.15 -3.72 -0.25 0.00 1.01 0.00 0.00 58.87 56.05 2pdz n SER 61 Cb 0.71 -0.77 -0.14 0.00 -1.01 0.00 0.00 64.21 63.00 2pdz n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pdz s ALA 62 N -3.44 1.75 0.79 -0.43 0.00 0.22 -5.12 121.76 115.54 2pdz s ALA 62 Ca 0.55 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 2pdz s ALA 62 Cb 0.46 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 23.31 2pdz s ALA 62 CO 0.04 0.39 1.11 0.95 0.00 0.00 0.00 175.76 178.26 2pdz s THR 63 N -0.81 2.87 0.60 0.00 -4.23 -1.26 -4.04 115.64 108.78 2pdz s THR 63 Ca 0.07 0.28 0.28 0.00 -1.18 0.00 0.00 61.69 61.15 2pdz s THR 63 Cb -0.09 -3.12 0.37 0.00 1.34 0.00 0.00 72.50 70.99 2pdz s THR 63 CO 0.02 -0.37 1.85 -0.74 -0.54 0.00 0.00 174.62 174.84 2pdz h HIS 64 N -1.04 0.00 0.03 3.99 2.76 -1.87 0.22 115.15 119.24 2pdz h HIS 64 Ca -0.47 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.53 2pdz h HIS 64 Cb 1.28 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.26 2pdz h HIS 64 CO 0.43 0.00 -0.68 -0.44 -1.30 0.00 0.00 177.93 175.94 2pdz h ASP 65 N 0.00 0.55 0.58 3.26 5.19 -1.94 -2.16 116.42 121.89 2pdz h ASP 65 Ca 0.20 -0.80 -0.02 0.00 -0.62 0.00 0.00 57.03 55.80 2pdz h ASP 65 Cb 1.23 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 2pdz h ASP 65 CO -0.00 1.28 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.99 2pdz h GLU 66 N -0.12 0.00 0.08 3.56 4.39 -0.97 -2.27 114.58 119.24 2pdz h GLU 66 Ca -0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 2pdz h GLU 66 Cb 1.41 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.07 2pdz h GLU 66 CO 0.13 0.08 -0.52 0.00 -1.16 0.00 0.00 179.01 177.54 2pdz h ALA 67 N 1.92 -0.03 0.00 3.43 0.00 -0.98 -3.30 119.26 120.29 2pdz h ALA 67 Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 2pdz h ALA 67 Cb 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2pdz h ALA 67 CO 0.01 0.25 -0.23 0.28 0.00 0.00 0.00 179.25 179.56 2pdz h VAL 68 N -0.65 1.15 -0.10 0.00 2.07 -1.25 -1.75 116.25 115.72 2pdz h VAL 68 Ca -0.10 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2pdz h VAL 68 Cb 1.38 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2pdz h VAL 68 CO 0.07 0.23 0.07 -0.61 0.02 0.00 0.00 177.57 177.35 2pdz h GLN 69 N 0.00 0.13 -0.03 1.57 4.15 -1.49 -0.76 115.11 118.68 2pdz h GLN 69 Ca -0.00 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.23 2pdz h GLN 69 Cb 0.42 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2pdz h GLN 69 CO 0.03 0.09 -0.76 0.00 -1.93 0.00 0.00 178.83 176.25 2pdz h ALA 70 N 1.94 0.63 0.00 3.38 0.00 -1.40 -2.38 119.26 121.43 2pdz h ALA 70 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 2pdz h ALA 70 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pdz h ALA 70 CO -0.01 0.82 -0.38 -0.07 0.00 0.00 0.00 179.25 179.61 2pdz h LEU 71 N 0.17 0.00 0.22 0.00 -0.00 -1.12 -1.81 115.31 112.77 2pdz h LEU 71 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.55 2pdz h LEU 71 Cb 1.34 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 42.04 2pdz h LEU 71 CO 0.12 0.38 -1.31 0.11 -0.00 0.00 0.00 178.44 177.74 2pdz h LYS 72 N 0.00 0.47 -0.81 1.13 1.79 -1.19 -3.25 116.57 114.71 2pdz h LYS 72 Ca -0.00 -0.80 -0.11 0.00 -2.18 0.00 0.00 60.65 57.56 2pdz h LYS 72 Cb 0.90 0.30 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 2pdz h LYS 72 CO 0.05 1.38 0.14 1.17 -1.08 0.00 0.00 179.45 181.12 2pdz n LYS 73 N -3.83 3.10 -1.66 3.15 3.00 -0.91 -4.96 118.16 116.05 2pdz n LYS 73 Ca -0.17 -2.13 -0.46 0.00 -0.00 0.00 0.00 58.31 55.55 2pdz n LYS 73 Cb 1.02 -1.96 -0.04 0.00 0.00 0.00 0.00 35.03 34.05 2pdz n LYS 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2pdz n THR 74 N 0.09 0.01 -2.36 3.15 -1.04 -0.68 -4.97 114.28 108.48 2pdz n THR 74 Ca 0.26 -0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 62.01 2pdz n THR 74 Cb 1.03 -1.49 0.13 0.00 -1.82 0.00 0.00 70.33 68.18 2pdz n THR 74 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2pdz s GLY 75 N 0.92 1.76 0.24 3.41 0.00 -1.26 -4.96 107.32 107.43 2pdz s GLY 75 Ca 0.79 -1.49 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 2pdz s GLY 75 CO 0.39 -0.88 1.69 0.07 0.00 0.00 0.00 173.10 174.36 2pdz h LYS 76 N -0.85 0.26 -5.36 2.90 2.10 -1.79 -3.32 116.57 110.51 2pdz h LYS 76 Ca -0.40 -0.02 -0.65 0.00 -2.00 0.00 0.00 60.65 57.59 2pdz h LYS 76 Cb 1.26 -0.06 -0.15 0.00 -0.90 0.00 0.00 32.23 32.38 2pdz h LYS 76 CO 0.42 0.17 0.25 -1.21 -2.00 0.00 0.00 179.45 177.08 2pdz s GLU 77 N -6.06 3.22 -1.08 0.07 0.41 -1.26 -0.24 118.70 113.75 2pdz s GLU 77 Ca -0.13 -0.59 -0.11 0.00 -0.41 0.00 0.00 54.97 53.73 2pdz s GLU 77 Cb 0.20 -4.06 0.24 0.00 -1.78 0.00 0.00 34.13 28.73 2pdz s GLU 77 CO 0.75 -1.29 1.13 0.08 -0.49 0.00 0.00 175.26 175.44 2pdz s VAL 78 N 3.15 5.71 -0.51 2.63 1.01 0.22 -4.84 120.40 127.77 2pdz s VAL 78 Ca 0.22 -3.06 -0.29 0.00 0.00 0.00 0.00 61.98 58.85 2pdz s VAL 78 Cb -0.16 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.59 2pdz s VAL 78 CO 0.16 -1.26 1.24 -0.69 0.00 0.00 0.00 175.10 174.54 2pdz s VAL 79 N -0.33 4.04 -0.28 2.92 1.01 -1.26 -1.21 120.40 125.28 2pdz s VAL 79 Ca 0.31 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 2pdz s VAL 79 Cb -0.08 -4.55 0.04 0.00 0.00 0.00 0.00 36.38 31.78 2pdz s VAL 79 CO -0.07 -1.09 -0.02 -0.76 0.00 0.00 0.00 175.10 173.16 2pdz s LEU 80 N 5.00 3.60 -0.06 3.92 1.02 0.83 0.16 118.68 133.15 2pdz s LEU 80 Ca 0.49 -1.10 -0.30 0.00 0.02 0.00 0.00 54.13 53.25 2pdz s LEU 80 Cb -0.09 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 2pdz s LEU 80 CO 0.29 -0.20 1.23 -0.70 0.02 0.00 0.00 176.35 176.99 2pdz s GLU 81 N 1.29 4.33 0.06 1.70 2.12 -0.52 -1.75 118.70 125.93 2pdz s GLU 81 Ca -0.03 1.70 0.06 0.00 0.36 0.00 0.00 54.97 57.07 2pdz s GLU 81 Cb -0.18 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2pdz s GLU 81 CO -0.02 -0.50 -0.18 0.54 -0.54 0.00 0.00 175.26 174.56 2pdz s VAL 82 N 2.42 1.41 -0.78 3.70 0.11 0.26 -1.69 120.40 125.83 2pdz s VAL 82 Ca 0.57 -1.26 -0.06 0.00 -2.93 0.00 0.00 61.98 58.29 2pdz s VAL 82 Cb -0.25 -1.28 0.20 0.00 -1.53 0.00 0.00 36.38 33.52 2pdz s VAL 82 CO 0.21 -0.01 0.65 -0.54 -3.33 0.00 0.00 175.10 172.08 2pdz s LYS 83 N -1.49 3.13 -0.12 1.54 1.02 0.27 0.16 119.74 124.24 2pdz s LYS 83 Ca 0.04 -2.73 -0.29 0.00 0.02 0.00 0.00 55.97 53.00 2pdz s LYS 83 Cb -0.09 -4.03 -0.07 0.00 -0.52 0.00 0.00 37.83 33.12 2pdz s LYS 83 CO 0.02 -1.23 2.12 0.98 -0.92 0.00 0.00 175.35 176.33 2pdz n TYR 84 N 3.30 2.17 -2.21 3.18 4.19 -1.26 -2.45 117.16 124.08 2pdz n TYR 84 Ca 0.14 -0.21 -0.40 0.00 3.31 0.00 0.00 57.90 60.74 2pdz n TYR 84 Cb 0.40 -2.75 0.00 0.00 0.49 0.00 0.00 39.34 37.49 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 8.23 4.89 0.00 2.98 2.81 -0.37 -4.85 117.12 130.80 2pdz n MET 85 Ca 0.26 -3.88 0.14 0.00 -1.81 0.00 0.00 57.70 52.41 2pdz n MET 85 Cb 0.42 -2.57 0.44 0.00 -0.71 0.00 0.00 33.22 30.80 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65