#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 0.89 -0.12 2.89 6.06 0.38 -4.56 118.95 124.49 2pdz s ARG 2 Ca 0.00 0.46 0.03 0.00 -2.50 0.00 0.00 55.73 53.72 2pdz s ARG 2 Cb 0.00 0.42 0.01 0.00 0.06 0.00 0.00 34.95 35.44 2pdz s ARG 2 CO 0.00 -0.23 -0.22 1.03 -2.50 0.00 0.00 175.30 173.38 2pdz s ARG 3 N -0.66 2.94 0.18 5.12 3.00 -1.26 0.56 118.95 128.82 2pdz s ARG 3 Ca -0.06 -0.83 0.10 0.00 0.00 0.00 0.00 55.73 54.95 2pdz s ARG 3 Cb -0.02 -2.33 -0.04 0.00 0.00 0.00 0.00 34.95 32.56 2pdz s ARG 3 CO 0.05 0.04 -0.23 0.08 0.00 0.00 0.00 175.30 175.24 2pdz s VAL 4 N 0.69 2.18 -0.18 3.52 1.01 -0.74 -4.92 120.40 121.96 2pdz s VAL 4 Ca -0.11 -1.95 -0.05 0.00 0.00 0.00 0.00 61.98 59.87 2pdz s VAL 4 Cb -0.16 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2pdz s VAL 4 CO 0.01 -0.14 0.08 -0.89 0.00 0.00 0.00 175.10 174.16 2pdz s THR 5 N -1.68 0.01 -0.24 3.92 2.01 -1.26 0.04 115.64 118.44 2pdz s THR 5 Ca 0.18 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 2pdz s THR 5 Cb -0.08 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2pdz s THR 5 CO 0.08 -0.28 0.15 -0.69 -0.69 0.00 0.00 174.62 173.19 2pdz s VAL 6 N 2.09 5.28 -0.64 3.82 1.01 0.04 -4.89 120.40 127.11 2pdz s VAL 6 Ca 0.02 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2pdz s VAL 6 Cb -0.16 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 32.92 2pdz s VAL 6 CO -0.10 0.35 0.62 -0.13 0.00 0.00 0.00 175.10 175.84 2pdz s ARG 7 N 1.03 3.19 -0.62 2.72 0.52 -1.26 0.10 118.95 124.62 2pdz s ARG 7 Ca 0.07 -1.88 -0.29 0.00 -0.52 0.00 0.00 55.73 53.11 2pdz s ARG 7 Cb -0.13 -4.35 -0.12 0.00 0.52 0.00 0.00 34.95 30.86 2pdz s ARG 7 CO 0.04 -1.36 2.47 1.63 0.02 0.00 0.00 175.30 178.10 2pdz n LYS 8 N 5.05 0.74 -3.91 3.54 5.02 0.30 -4.89 118.16 124.00 2pdz n LYS 8 Ca -0.05 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 56.03 2pdz n LYS 8 Cb 0.42 -2.69 -0.17 0.00 -0.02 0.00 0.00 35.03 32.58 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pdz s ALA 9 N 10.41 1.38 -1.46 7.82 0.00 -1.26 -4.75 121.76 133.89 2pdz s ALA 9 Ca 1.12 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2pdz s ALA 9 Cb -0.62 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2pdz s ALA 9 CO 0.37 -0.46 0.00 -3.47 0.00 0.00 0.00 175.76 172.20 2pdz n ASP 10 N 4.92 -3.84 -3.35 0.00 2.03 -1.26 -4.86 116.55 110.19 2pdz n ASP 10 Ca -0.13 0.32 -0.24 0.00 0.52 0.00 0.00 54.79 55.27 2pdz n ASP 10 Cb 0.50 -3.50 -0.09 0.00 -0.72 0.00 0.00 41.12 37.31 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 -2.29 0.65 0.28 -1.67 0.00 -1.26 -4.99 121.76 112.48 2pdz s ALA 11 Ca 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 50.10 2pdz s ALA 11 Cb 0.00 -1.77 0.60 0.00 0.00 0.00 0.00 23.12 21.94 2pdz s ALA 11 CO 0.00 -2.06 1.77 0.78 0.00 0.00 0.00 175.76 176.25 2pdz h GLY 12 N 6.17 1.52 -1.71 0.00 0.00 -1.95 -3.41 103.07 103.69 2pdz h GLY 12 Ca 0.16 -0.29 -0.48 0.00 0.00 0.00 0.00 47.33 46.71 2pdz h GLY 12 CO 0.28 -0.03 0.38 -0.32 0.00 0.00 0.00 176.54 176.84 2pdz s GLY 13 N -3.57 2.06 -0.01 4.60 0.00 -1.26 -4.98 107.32 104.16 2pdz s GLY 13 Ca -0.12 0.24 0.16 0.00 0.00 0.00 0.00 44.72 45.00 2pdz s GLY 13 CO 0.79 0.53 0.47 -0.10 0.00 0.00 0.00 173.10 174.79 2pdz n LEU 14 N -1.82 0.29 -2.85 0.66 0.00 -1.26 -4.31 117.00 107.71 2pdz n LEU 14 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 56.01 55.84 2pdz n LEU 14 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 2pdz n LEU 14 CO 0.47 0.07 -0.34 0.61 0.00 0.00 0.00 177.39 178.21 2pdz n GLY 15 N 1.51 -2.83 3.23 -3.96 0.00 -1.26 -2.40 105.19 99.49 2pdz n GLY 15 Ca -0.01 0.68 0.04 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.83 -0.28 -0.51 -0.61 2.07 -1.26 -3.49 121.20 115.27 2pdz s ILE 16 Ca 0.09 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.24 2pdz s ILE 16 Cb -0.02 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.70 2pdz s ILE 16 CO 0.71 0.00 0.38 -0.55 -1.91 0.00 0.00 174.94 173.57 2pdz s SER 17 N 2.55 5.71 0.43 4.50 0.15 -0.29 -4.98 113.70 121.76 2pdz s SER 17 Ca -0.02 -2.09 -0.23 0.00 0.70 0.00 0.00 55.95 54.32 2pdz s SER 17 Cb -0.06 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 62.16 2pdz s SER 17 CO -0.14 -0.64 1.06 0.27 1.20 0.00 0.00 173.24 174.99 2pdz s ILE 18 N 1.10 3.67 -0.13 6.45 -4.36 -1.26 -1.86 121.20 124.80 2pdz s ILE 18 Ca 0.08 1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 61.67 2pdz s ILE 18 Cb -0.24 -3.60 0.04 0.00 1.25 0.00 0.00 42.46 39.91 2pdz s ILE 18 CO -0.02 -0.05 -0.01 -0.75 0.24 0.00 0.00 174.94 174.35 2pdz s LYS 19 N -2.68 0.93 0.00 0.37 2.20 0.11 -4.79 119.74 115.88 2pdz s LYS 19 Ca 0.61 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2pdz s LYS 19 Cb -0.21 -1.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 2pdz s LYS 19 CO 0.27 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2pdz n GLY 20 N 5.03 -0.38 0.00 5.54 0.00 -1.26 -2.03 105.19 112.08 2pdz n GLY 20 Ca -0.09 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 3.17 0.16 -0.02 0.00 -1.25 -4.53 105.19 102.72 2pdz n GLY 21 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.38 0.15 -0.03 1.61 3.00 -1.25 -0.90 116.66 118.85 2pdz n ARG 22 Ca 0.00 0.63 0.08 0.00 -0.00 0.00 0.00 57.85 58.55 2pdz n ARG 22 Cb 0.00 -1.96 0.39 0.00 0.00 0.00 0.00 32.46 30.89 2pdz n ARG 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2pdz n GLU 23 N -2.27 1.25 -1.05 -0.14 0.28 -1.26 -3.53 120.64 113.93 2pdz n GLU 23 Ca -0.01 -0.39 0.02 0.00 -0.16 0.00 0.00 57.16 56.62 2pdz n GLU 23 Cb 0.05 -1.27 0.01 0.00 1.43 0.00 0.00 31.44 31.65 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pdz n ASN 24 N -0.35 0.51 -2.97 -1.84 3.02 -0.07 -5.05 115.26 108.51 2pdz n ASN 24 Ca 0.12 -1.98 -0.11 0.00 -0.03 0.00 0.00 54.58 52.58 2pdz n ASN 24 Cb 0.14 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2pdz n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pdz n LYS 25 N 0.27 -2.40 -3.58 3.52 4.01 -1.21 -4.92 118.16 113.85 2pdz n LYS 25 Ca 0.02 2.05 -0.01 0.00 -0.51 0.00 0.00 58.31 59.86 2pdz n LYS 25 Cb 0.94 -4.57 -0.06 0.00 -0.51 0.00 0.00 35.03 30.83 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2pdz s MET 26 N -2.21 0.36 0.00 1.97 1.75 -1.23 -4.94 119.30 114.99 2pdz s MET 26 Ca 0.19 0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 55.31 2pdz s MET 26 Cb -0.04 0.20 -0.13 0.00 2.84 0.00 0.00 34.83 37.70 2pdz s MET 26 CO 0.73 -0.09 2.49 -0.35 -0.65 0.00 0.00 175.02 177.15 2pdz n PRO 27 N 4.12 1.31 -3.08 4.11 -0.04 -1.26 -3.90 135.00 136.26 2pdz n PRO 27 Ca -0.16 -0.47 -0.01 0.00 -0.04 0.00 0.00 63.50 62.82 2pdz n PRO 27 Cb 0.56 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 2.15 -4.61 -3.93 0.52 2.08 -1.26 -2.48 119.36 111.83 2pdz n ILE 28 Ca 0.20 0.83 -0.35 0.00 0.56 0.00 0.00 62.75 63.99 2pdz n ILE 28 Cb 0.62 -4.02 -0.10 0.00 -0.75 0.00 0.00 39.64 35.38 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 -1.21 3.78 0.30 1.39 2.96 -0.86 -0.80 118.68 124.24 2pdz s LEU 29 Ca 0.01 0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 2pdz s LEU 29 Cb -0.00 -1.97 -0.11 0.00 0.50 0.00 0.00 46.19 44.61 2pdz s LEU 29 CO 0.22 0.12 1.52 -0.63 -1.32 0.00 0.00 176.35 176.27 2pdz s ILE 30 N 0.68 2.24 0.00 6.68 1.01 -0.84 0.08 121.20 131.05 2pdz s ILE 30 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2pdz s ILE 30 Cb -0.13 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2pdz s ILE 30 CO 0.02 0.04 0.00 -0.24 0.00 0.00 0.00 174.94 174.75 2pdz n SER 31 N 1.85 4.19 -3.48 3.58 2.88 -0.78 -0.76 113.62 121.09 2pdz n SER 31 Ca 0.06 -0.07 -0.20 0.00 -1.33 0.00 0.00 58.87 57.33 2pdz n SER 31 Cb 0.39 0.97 -0.12 0.00 -0.75 0.00 0.00 64.21 64.70 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 -1.81 0.23 -0.63 -1.46 2.20 -1.15 -4.88 119.74 112.23 2pdz s LYS 32 Ca 0.00 -0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.34 2pdz s LYS 32 Cb 0.00 -1.06 0.10 0.00 -1.51 0.00 0.00 37.83 35.36 2pdz s LYS 32 CO 0.00 -0.85 0.80 0.42 -0.36 0.00 0.00 175.35 175.36 2pdz s ILE 33 N 2.28 4.67 0.31 5.43 -1.09 -1.26 -1.14 121.20 130.41 2pdz s ILE 33 Ca 0.08 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 57.36 2pdz s ILE 33 Cb -0.15 -4.56 -0.11 0.00 -1.58 0.00 0.00 42.46 36.05 2pdz s ILE 33 CO -0.24 -1.24 1.57 0.49 -1.23 0.00 0.00 174.94 174.29 2pdz n PHE 34 N 6.74 2.89 -1.94 3.97 3.01 -1.23 -4.87 117.46 126.03 2pdz n PHE 34 Ca -0.06 0.30 -0.29 0.00 1.01 0.00 0.00 57.45 58.41 2pdz n PHE 34 Cb 0.44 -2.58 0.14 0.00 -0.01 0.00 0.00 39.48 37.47 2pdz n PHE 34 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pdz s LYS 35 N -0.91 1.24 -1.76 -1.08 1.02 -1.26 -3.99 119.74 113.01 2pdz s LYS 35 Ca 0.61 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.40 2pdz s LYS 35 Cb -0.49 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 2pdz s LYS 35 CO 0.52 -2.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.33 2pdz n GLY 36 N -3.54 -0.10 3.16 -3.33 0.00 -1.26 -4.96 105.19 95.16 2pdz n GLY 36 Ca 0.12 0.00 -0.10 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 -5.75 2.46 0.14 0.99 1.43 -1.26 -5.00 118.68 111.69 2pdz s LEU 37 Ca 0.00 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 2pdz s LEU 37 Cb 0.00 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.15 2pdz s LEU 37 CO 0.00 -0.50 1.57 0.00 0.23 0.00 0.00 176.35 177.65 2pdz h ALA 38 N 2.97 -0.60 -0.65 4.21 0.00 -1.75 0.84 119.26 124.27 2pdz h ALA 38 Ca -0.35 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.69 2pdz h ALA 38 Cb 1.16 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 2pdz h ALA 38 CO 0.65 -0.94 0.20 0.00 0.00 0.00 0.00 179.25 179.16 2pdz h ALA 39 N 0.14 0.84 0.00 0.00 0.00 -1.69 -1.23 119.26 117.32 2pdz h ALA 39 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pdz h ALA 39 Cb 0.62 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2pdz h ALA 39 CO -0.48 -0.25 -0.43 0.22 0.00 0.00 0.00 179.25 178.30 2pdz h ASP 40 N 0.35 0.00 -0.68 0.00 1.82 -1.53 -3.15 116.42 113.23 2pdz h ASP 40 Ca 0.35 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2pdz h ASP 40 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2pdz h ASP 40 CO -0.39 0.03 0.00 0.00 -1.61 0.00 0.00 179.24 177.28 2pdz n GLN 41 N -2.51 3.37 -0.40 0.28 -0.00 0.28 -4.20 117.38 114.20 2pdz n GLN 41 Ca 0.03 -2.76 0.08 0.00 -0.00 0.00 0.00 57.00 54.34 2pdz n GLN 41 Cb 0.49 -1.79 0.25 0.00 -0.00 0.00 0.00 30.24 29.19 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 1.30 1.69 -4.09 -0.39 5.66 -0.56 -4.97 114.28 112.93 2pdz n THR 42 Ca 0.25 -1.36 -0.28 0.00 -3.05 0.00 0.00 64.05 59.62 2pdz n THR 42 Cb 0.79 0.13 -0.05 0.00 -1.55 0.00 0.00 70.33 69.66 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 0.34 -2.48 0.08 1.09 4.71 -1.26 -4.62 120.64 118.51 2pdz n GLU 43 Ca 0.19 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 2pdz n GLU 43 Cb 0.73 -4.22 0.00 0.00 -1.01 0.00 0.00 31.44 26.93 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2pdz n ALA 44 N -4.46 0.00 -2.04 0.62 0.00 -1.26 -5.02 120.51 108.35 2pdz n ALA 44 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 2pdz n ALA 44 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 2pdz n ALA 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pdz s LEU 45 N -5.64 3.08 0.15 0.00 2.96 -1.19 -4.90 118.68 113.13 2pdz s LEU 45 Ca 0.00 -1.26 0.08 0.00 -0.22 0.00 0.00 54.13 52.73 2pdz s LEU 45 Cb 0.00 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2pdz s LEU 45 CO 0.00 -3.01 -0.07 0.72 -1.32 0.00 0.00 176.35 172.68 2pdz s PHE 46 N 10.87 2.75 0.70 5.38 -0.12 -1.26 -4.13 117.98 132.16 2pdz s PHE 46 Ca 0.70 -0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 57.25 2pdz s PHE 46 Cb -0.03 -1.38 -0.06 0.00 -0.63 0.00 0.00 43.02 40.92 2pdz s PHE 46 CO 0.08 0.48 0.39 0.28 -0.05 0.00 0.00 175.22 176.40 2pdz n VAL 47 N 0.27 1.54 -1.14 -2.49 0.31 -1.26 -2.99 118.33 112.57 2pdz n VAL 47 Ca -0.11 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2pdz n VAL 47 Cb 0.54 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 1.85 0.57 3.17 2.92 0.00 0.06 -4.91 105.19 108.85 2pdz n GLY 48 Ca 0.09 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.81 5.49 -0.66 1.61 1.01 -1.16 -0.67 116.67 119.48 2pdz s ASP 49 Ca 0.00 -1.94 -0.27 0.00 0.71 0.00 0.00 52.55 51.05 2pdz s ASP 49 Cb 0.00 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 42.03 2pdz s ASP 49 CO 0.00 -0.62 1.35 0.00 0.21 0.00 0.00 175.17 176.11 2pdz s ALA 50 N 1.27 2.75 0.26 5.23 0.00 -1.03 -1.99 121.76 128.25 2pdz s ALA 50 Ca 0.07 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 2pdz s ALA 50 Cb -0.24 -4.19 -0.09 0.00 0.00 0.00 0.00 23.12 18.59 2pdz s ALA 50 CO -0.02 -3.15 1.22 0.42 0.00 0.00 0.00 175.76 174.22 2pdz s ILE 51 N 5.97 3.23 0.00 0.00 1.01 0.02 0.33 121.20 131.75 2pdz s ILE 51 Ca 0.43 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2pdz s ILE 51 Cb -0.09 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2pdz s ILE 51 CO 0.20 0.24 0.58 0.18 0.00 0.00 0.00 174.94 176.14 2pdz n LEU 52 N 1.59 0.37 0.00 2.97 4.77 -0.69 -4.38 117.00 121.62 2pdz n LEU 52 Ca 0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2pdz n LEU 52 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2pdz n LEU 52 CO 0.56 0.09 0.00 -1.54 -1.33 0.00 0.00 177.39 175.18 2pdz n SER 53 N -0.09 0.00 -4.63 -1.43 3.41 -1.25 -0.42 113.62 109.20 2pdz n SER 53 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2pdz n SER 53 Cb 0.45 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2pdz s VAL 54 N 0.00 5.06 -1.45 -3.33 -7.23 -1.02 -0.90 120.40 111.53 2pdz s VAL 54 Ca 0.00 0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 61.05 2pdz s VAL 54 Cb 0.00 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 33.12 2pdz s VAL 54 CO 0.00 0.09 0.68 0.59 -0.31 0.00 0.00 175.10 176.16 2pdz n ASN 55 N 5.40 -5.23 0.00 4.85 3.02 0.39 -0.32 115.26 123.36 2pdz n ASN 55 Ca -0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2pdz n ASN 55 Cb 0.50 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 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 -1.49 1.77 3.56 7.41 0.00 -1.26 -4.97 105.19 110.21 2pdz n GLY 56 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.30 3.32 -0.75 1.61 2.12 0.56 -4.91 118.70 120.35 2pdz s GLU 57 Ca 0.00 -0.67 -0.33 0.00 0.36 0.00 0.00 54.97 54.33 2pdz s GLU 57 Cb 0.00 -4.90 -0.18 0.00 0.26 0.00 0.00 34.13 29.32 2pdz s GLU 57 CO 0.00 -2.31 2.50 -3.47 -0.54 0.00 0.00 175.26 171.43 2pdz n ASP 58 N 9.67 0.93 -0.27 -1.70 -0.08 -1.26 -2.43 116.55 121.41 2pdz n ASP 58 Ca 0.23 0.17 0.13 0.00 -1.51 0.00 0.00 54.79 53.81 2pdz n ASP 58 Cb 0.50 -1.07 0.35 0.00 2.34 0.00 0.00 41.12 43.24 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2pdz n LEU 59 N 10.86 1.11 -0.25 -2.67 7.99 0.44 -4.16 117.00 130.31 2pdz n LEU 59 Ca 0.56 -0.31 -0.03 0.00 -0.01 0.00 0.00 56.01 56.23 2pdz n LEU 59 Cb 0.13 -0.11 0.08 0.00 -0.11 0.00 0.00 43.42 43.41 2pdz n LEU 59 CO 0.87 0.21 1.15 -1.28 -1.51 0.00 0.00 177.39 176.82 2pdz h SER 60 N 1.32 0.73 -0.93 -1.43 0.87 -1.75 -2.25 113.55 110.12 2pdz h SER 60 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2pdz h SER 60 Cb 0.53 -0.16 -0.29 0.00 -0.44 0.00 0.00 62.40 62.04 2pdz h SER 60 CO 0.00 0.50 0.61 -1.20 -0.53 0.00 0.00 176.83 176.21 2pdz n SER 61 N -4.66 5.56 -4.37 6.23 7.64 -1.26 -4.95 113.62 117.81 2pdz n SER 61 Ca 0.08 -3.72 -0.30 0.00 1.01 0.00 0.00 58.87 55.94 2pdz n SER 61 Cb 0.09 -0.86 -0.14 0.00 -1.01 0.00 0.00 64.21 62.29 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 -3.56 2.34 0.82 -0.43 0.00 -0.85 -5.09 121.76 114.98 2pdz s ALA 62 Ca 0.59 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2pdz s ALA 62 Cb 0.48 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.18 2pdz s ALA 62 CO 0.04 0.54 1.15 0.95 0.00 0.00 0.00 175.76 178.44 2pdz s THR 63 N -0.87 2.35 0.61 0.00 -4.23 -1.26 -3.93 115.64 108.30 2pdz s THR 63 Ca 0.13 0.11 0.30 0.00 -1.18 0.00 0.00 61.69 61.05 2pdz s THR 63 Cb -0.10 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.07 2pdz s THR 63 CO 0.03 -0.15 2.00 -0.74 -0.54 0.00 0.00 174.62 175.22 2pdz h HIS 64 N -1.11 0.00 0.01 3.99 2.76 -1.87 0.60 115.15 119.54 2pdz h HIS 64 Ca -0.47 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.52 2pdz h HIS 64 Cb 1.31 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.29 2pdz h HIS 64 CO 0.35 0.00 -0.72 -0.44 -1.30 0.00 0.00 177.93 175.82 2pdz h ASP 65 N 0.00 0.61 0.52 3.26 5.19 -1.92 -2.16 116.42 121.91 2pdz h ASP 65 Ca 0.11 -0.77 -0.01 0.00 -0.62 0.00 0.00 57.03 55.73 2pdz h ASP 65 Cb 0.75 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 2pdz h ASP 65 CO -0.00 1.30 -0.04 -0.33 -3.12 0.00 0.00 179.24 177.05 2pdz h GLU 66 N -0.02 0.00 0.05 3.56 4.39 -1.25 -2.26 114.58 119.05 2pdz h GLU 66 Ca -0.09 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.46 2pdz h GLU 66 Cb 1.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2pdz h GLU 66 CO 0.14 0.04 -0.76 0.00 -1.16 0.00 0.00 179.01 177.28 2pdz h ALA 67 N 1.96 0.08 0.00 3.43 0.00 -1.19 -3.31 119.26 120.22 2pdz h ALA 67 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 2pdz h ALA 67 Cb 0.31 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pdz h ALA 67 CO 0.01 0.42 -0.10 0.28 0.00 0.00 0.00 179.25 179.85 2pdz h VAL 68 N -0.72 0.79 -0.95 0.00 2.07 -1.25 -1.49 116.25 114.69 2pdz h VAL 68 Ca -0.17 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2pdz h VAL 68 Cb 1.36 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2pdz h VAL 68 CO -0.00 0.10 0.63 1.56 0.02 0.00 0.00 177.57 179.87 2pdz h GLN 69 N 0.00 1.19 -0.47 1.57 4.20 -1.50 0.43 115.11 120.53 2pdz h GLN 69 Ca -0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2pdz h GLN 69 Cb 0.22 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2pdz h GLN 69 CO 0.01 0.79 0.21 0.00 -0.67 0.00 0.00 178.83 179.17 2pdz h ALA 70 N 1.43 0.61 0.00 3.87 0.00 -1.37 0.67 119.26 124.48 2pdz h ALA 70 Ca 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2pdz h ALA 70 Cb -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2pdz h ALA 70 CO -0.11 0.19 -0.16 -0.07 0.00 0.00 0.00 179.25 179.10 2pdz h LEU 71 N 0.62 0.00 0.16 0.00 -0.00 -1.22 0.17 115.31 115.04 2pdz h LEU 71 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.74 2pdz h LEU 71 Cb 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2pdz h LEU 71 CO -0.02 0.16 -1.47 0.50 -0.00 0.00 0.00 178.44 177.62 2pdz h LYS 72 N 0.00 0.34 -0.73 1.13 3.11 0.95 -3.33 116.57 118.04 2pdz h LYS 72 Ca -0.00 -0.59 -0.22 0.00 -2.81 0.00 0.00 60.65 57.03 2pdz h LYS 72 Cb 0.61 0.22 -0.13 0.00 -1.00 0.00 0.00 32.23 31.93 2pdz h LYS 72 CO 0.02 1.28 0.27 1.63 -2.81 0.00 0.00 179.45 179.84 2pdz n LYS 73 N -3.81 3.69 -1.53 1.90 5.02 0.22 -4.99 118.16 118.66 2pdz n LYS 73 Ca -0.22 -3.10 -0.34 0.00 -2.02 0.00 0.00 58.31 52.63 2pdz n LYS 73 Cb 0.98 -2.21 0.08 0.00 -0.02 0.00 0.00 35.03 33.86 2pdz n LYS 73 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pdz s THR 74 N -3.01 2.55 0.11 -0.18 -4.23 0.59 -4.96 115.64 106.52 2pdz s THR 74 Ca 0.55 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2pdz s THR 74 Cb 0.44 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.47 2pdz s THR 74 CO 0.13 -0.15 0.09 0.61 -0.54 0.00 0.00 174.62 174.76 2pdz n GLY 75 N 0.17 2.95 0.36 3.99 0.00 -1.26 -5.03 105.19 106.37 2pdz n GLY 75 Ca 0.13 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 2pdz n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pdz h LYS 76 N 0.00 -0.45 -6.05 1.61 1.57 -1.93 -3.36 116.57 107.95 2pdz h LYS 76 Ca -0.07 0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.15 2pdz h LYS 76 Cb 0.26 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 2pdz h LYS 76 CO 0.11 -0.30 0.61 -2.00 -0.57 0.00 0.00 179.45 177.30 2pdz s GLU 77 N -5.09 3.95 -0.69 3.15 2.12 -1.26 0.11 118.70 120.99 2pdz s GLU 77 Ca -0.12 0.74 -0.06 0.00 0.36 0.00 0.00 54.97 55.89 2pdz s GLU 77 Cb 0.05 -3.76 0.18 0.00 0.26 0.00 0.00 34.13 30.86 2pdz s GLU 77 CO 0.47 -0.84 0.53 0.08 -0.54 0.00 0.00 175.26 174.96 2pdz s VAL 78 N 3.36 4.20 -0.11 3.70 1.01 0.28 -4.96 120.40 127.88 2pdz s VAL 78 Ca 0.38 -2.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.18 2pdz s VAL 78 Cb -0.13 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2pdz s VAL 78 CO 0.16 -0.92 1.15 -0.69 0.00 0.00 0.00 175.10 174.79 2pdz s VAL 79 N -0.08 4.43 -0.23 2.92 1.01 -1.26 -0.78 120.40 126.41 2pdz s VAL 79 Ca 0.18 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.89 2pdz s VAL 79 Cb -0.17 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.16 2pdz s VAL 79 CO -0.05 -0.05 -0.02 -0.76 0.00 0.00 0.00 175.10 174.22 2pdz s LEU 80 N 2.58 2.25 0.14 3.92 1.43 0.11 0.15 118.68 129.25 2pdz s LEU 80 Ca 0.52 -1.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 2pdz s LEU 80 Cb -0.21 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 2pdz s LEU 80 CO 0.17 -0.26 1.50 -0.70 0.23 0.00 0.00 176.35 177.29 2pdz s GLU 81 N 1.51 4.26 0.04 1.70 2.56 -0.07 -1.79 118.70 126.91 2pdz s GLU 81 Ca -0.04 2.24 0.04 0.00 0.00 0.00 0.00 54.97 57.21 2pdz s GLU 81 Cb -0.18 -3.22 -0.02 0.00 2.00 0.00 0.00 34.13 32.70 2pdz s GLU 81 CO -0.08 -0.55 -0.11 0.54 -0.56 0.00 0.00 175.26 174.51 2pdz s VAL 82 N 1.24 0.85 -0.83 3.70 0.11 0.19 -1.71 120.40 123.95 2pdz s VAL 82 Ca 0.68 -0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 2pdz s VAL 82 Cb -0.41 -0.81 0.21 0.00 -1.53 0.00 0.00 36.38 33.85 2pdz s VAL 82 CO 0.31 -0.12 0.72 -0.75 -3.33 0.00 0.00 175.10 171.93 2pdz s LYS 83 N -1.20 3.26 0.00 1.54 2.20 0.15 0.14 119.74 125.84 2pdz s LYS 83 Ca -0.02 -2.90 -0.34 0.00 -0.36 0.00 0.00 55.97 52.35 2pdz s LYS 83 Cb -0.08 -4.06 -0.12 0.00 -1.51 0.00 0.00 37.83 32.06 2pdz s LYS 83 CO 0.01 -1.24 1.78 0.98 -0.36 0.00 0.00 175.35 176.52 2pdz n TYR 84 N 3.02 2.33 -2.01 4.03 4.19 -1.26 -2.48 117.16 124.98 2pdz n TYR 84 Ca 0.16 0.06 -0.40 0.00 3.31 0.00 0.00 57.90 61.04 2pdz n TYR 84 Cb 0.39 -2.63 0.03 0.00 0.49 0.00 0.00 39.34 37.62 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 5.59 3.17 0.00 2.98 2.81 0.15 -4.81 117.12 127.01 2pdz n MET 85 Ca 0.21 -3.64 0.14 0.00 -1.81 0.00 0.00 57.70 52.59 2pdz n MET 85 Cb 0.30 -2.30 0.51 0.00 -0.71 0.00 0.00 33.22 31.02 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65