#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 0.82 -0.04 5.56 6.06 0.35 -4.53 118.95 127.18 2pdz s ARG 2 Ca 0.00 0.38 0.05 0.00 -2.50 0.00 0.00 55.73 53.66 2pdz s ARG 2 Cb 0.00 0.39 -0.01 0.00 0.06 0.00 0.00 34.95 35.39 2pdz s ARG 2 CO 0.00 -0.22 -0.18 -0.98 -2.50 0.00 0.00 175.30 171.42 2pdz s ARG 3 N -0.76 1.75 0.04 5.12 1.70 -1.26 0.38 118.95 125.92 2pdz s ARG 3 Ca -0.05 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.56 2pdz s ARG 3 Cb -0.01 -1.56 -0.03 0.00 -0.57 0.00 0.00 34.95 32.77 2pdz s ARG 3 CO 0.04 0.30 -0.02 0.08 -1.08 0.00 0.00 175.30 174.62 2pdz s VAL 4 N -0.11 0.18 -0.08 4.99 1.01 -0.68 -4.92 120.40 120.78 2pdz s VAL 4 Ca -0.01 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 2pdz s VAL 4 Cb -0.10 -1.15 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2pdz s VAL 4 CO 0.01 -0.84 0.18 -0.89 0.00 0.00 0.00 175.10 173.57 2pdz s THR 5 N -3.19 -0.16 -0.24 3.92 2.01 -1.26 0.11 115.64 116.83 2pdz s THR 5 Ca 0.00 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2pdz s THR 5 Cb 0.03 -0.30 0.04 0.00 0.01 0.00 0.00 72.50 72.27 2pdz s THR 5 CO -0.07 0.10 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.16 2pdz s VAL 6 N 1.68 2.48 -0.26 3.82 1.01 -0.59 -4.86 120.40 123.69 2pdz s VAL 6 Ca -0.04 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 2pdz s VAL 6 Cb -0.12 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2pdz s VAL 6 CO -0.07 0.19 1.04 -0.13 0.00 0.00 0.00 175.10 176.13 2pdz s ARG 7 N 1.24 4.20 -0.51 2.72 0.52 -1.26 0.77 118.95 126.63 2pdz s ARG 7 Ca -0.02 1.26 -0.31 0.00 -0.52 0.00 0.00 55.73 56.13 2pdz s ARG 7 Cb -0.17 -3.67 -0.12 0.00 0.52 0.00 0.00 34.95 31.51 2pdz s ARG 7 CO -0.06 -0.70 2.36 1.63 0.02 0.00 0.00 175.30 178.54 2pdz n LYS 8 N 6.46 0.89 -3.68 3.54 5.02 -0.38 -4.89 118.16 125.11 2pdz n LYS 8 Ca 0.12 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 2pdz n LYS 8 Cb 0.46 -2.59 -0.14 0.00 -0.02 0.00 0.00 35.03 32.75 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 9.11 -0.42 0.33 7.82 0.00 -1.26 -5.02 121.76 132.31 2pdz s ALA 9 Ca 1.11 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2pdz s ALA 9 Cb -0.72 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2pdz s ALA 9 CO 0.42 -0.49 0.00 -0.25 0.00 0.00 0.00 175.76 175.43 2pdz n ASP 10 N 5.03 -8.85 -2.78 0.00 8.00 -1.26 -4.88 116.55 111.80 2pdz n ASP 10 Ca -0.11 1.25 -0.01 0.00 0.71 0.00 0.00 54.79 56.63 2pdz n ASP 10 Cb 0.50 -4.62 -0.01 0.00 -0.02 0.00 0.00 41.12 36.98 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pdz n ALA 11 N 0.61 -3.19 -0.25 2.24 0.00 -1.26 -4.75 120.51 113.91 2pdz n ALA 11 Ca 0.00 0.81 0.30 0.00 0.00 0.00 0.00 53.44 54.56 2pdz n ALA 11 Cb 0.00 -1.71 0.71 0.00 0.00 0.00 0.00 19.45 18.45 2pdz n ALA 11 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pdz h GLY 12 N 3.47 0.13 -5.93 0.00 0.00 -1.98 -3.41 103.07 95.36 2pdz h GLY 12 Ca -0.12 -0.02 -0.66 0.00 0.00 0.00 0.00 47.33 46.53 2pdz h GLY 12 CO 0.06 -0.01 1.01 0.61 0.00 0.00 0.00 176.54 178.21 2pdz n GLY 13 N -1.71 1.23 0.26 4.60 0.00 -1.26 -4.81 105.19 103.49 2pdz n GLY 13 Ca 0.22 0.88 0.15 0.00 0.00 0.00 0.00 46.02 47.27 2pdz n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pdz h LEU 14 N 8.37 0.00 -2.36 0.99 6.46 -1.92 -3.40 115.31 123.45 2pdz h LEU 14 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2pdz h LEU 14 Cb 1.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2pdz h LEU 14 CO 0.95 0.02 -0.58 0.61 -0.62 0.00 0.00 178.44 178.82 2pdz n GLY 15 N 0.31 -2.35 3.25 3.75 0.00 -1.26 -1.76 105.19 107.14 2pdz n GLY 15 Ca 0.01 0.77 0.03 0.00 0.00 0.00 0.00 46.02 46.83 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 -1.95 -0.18 -0.36 -0.61 2.07 -1.26 -4.01 121.20 114.90 2pdz s ILE 16 Ca 0.13 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.32 2pdz s ILE 16 Cb -0.04 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.62 2pdz s ILE 16 CO 0.65 0.00 0.13 -0.44 -1.91 0.00 0.00 174.94 173.37 2pdz s SER 17 N 2.14 5.24 0.51 4.50 0.01 -0.27 -4.98 113.70 120.84 2pdz s SER 17 Ca -0.00 -1.51 -0.12 0.00 1.31 0.00 0.00 55.95 55.63 2pdz s SER 17 Cb -0.02 -1.83 -0.06 0.00 0.21 0.00 0.00 66.02 64.31 2pdz s SER 17 CO -0.16 -0.41 0.92 0.27 0.41 0.00 0.00 173.24 174.26 2pdz s ILE 18 N 1.29 4.68 -0.04 1.44 -4.36 -1.26 -1.65 121.20 121.30 2pdz s ILE 18 Ca 0.01 0.87 -0.02 0.00 -0.26 0.00 0.00 60.65 61.25 2pdz s ILE 18 Cb -0.21 -3.78 0.03 0.00 1.25 0.00 0.00 42.46 39.75 2pdz s ILE 18 CO -0.00 -0.78 0.06 -0.75 0.24 0.00 0.00 174.94 173.70 2pdz s LYS 19 N -4.37 -0.04 0.00 0.37 2.20 0.27 -4.72 119.74 113.47 2pdz s LYS 19 Ca 0.55 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 2pdz s LYS 19 Cb -0.10 -0.54 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 2pdz s LYS 19 CO 0.38 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 2pdz n GLY 20 N 5.29 0.26 0.00 5.54 0.00 -1.26 -2.09 105.19 112.93 2pdz n GLY 20 Ca -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 4.11 0.16 -0.02 0.00 -1.24 -4.59 105.19 103.61 2pdz n GLY 21 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.16 0.14 0.24 1.61 3.00 -1.25 -1.13 116.66 118.11 2pdz n ARG 22 Ca 0.00 0.62 0.15 0.00 -0.00 0.00 0.00 57.85 58.62 2pdz n ARG 22 Cb 0.00 -1.94 0.54 0.00 0.00 0.00 0.00 32.46 31.06 2pdz n ARG 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2pdz h GLU 23 N 0.00 0.00 0.00 -0.14 4.39 -1.91 -3.09 114.58 113.83 2pdz h GLU 23 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2pdz h GLU 23 Cb 0.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 2pdz h GLU 23 CO 0.00 0.00 -0.50 0.09 -1.16 0.00 0.00 179.01 177.44 2pdz n ASN 24 N -2.95 1.65 -2.94 1.42 3.02 -0.29 -5.03 115.26 110.15 2pdz n ASN 24 Ca 0.02 -3.47 -0.10 0.00 -0.03 0.00 0.00 54.58 51.01 2pdz n ASN 24 Cb 0.35 -0.47 0.01 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.91 -2.47 -3.52 3.52 4.81 -1.17 -4.92 118.16 113.50 2pdz n LYS 25 Ca 0.16 2.10 -0.00 0.00 -0.87 0.00 0.00 58.31 59.70 2pdz n LYS 25 Cb 0.75 -4.63 -0.05 0.00 0.02 0.00 0.00 35.03 31.12 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2pdz s MET 26 N -2.15 0.39 -0.22 1.64 1.75 -1.20 -4.93 119.30 114.58 2pdz s MET 26 Ca 0.17 0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 55.45 2pdz s MET 26 Cb -0.04 0.41 -0.13 0.00 2.84 0.00 0.00 34.83 37.91 2pdz s MET 26 CO 0.72 -0.12 2.28 -0.35 -0.65 0.00 0.00 175.02 176.90 2pdz n PRO 27 N 4.70 1.39 -3.17 4.11 -0.04 -1.26 -3.64 135.00 137.09 2pdz n PRO 27 Ca -0.13 -0.79 -0.05 0.00 -0.04 0.00 0.00 63.50 62.50 2pdz n PRO 27 Cb 0.54 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 3.05 -3.40 -3.62 0.52 2.08 -1.26 -2.32 119.36 114.41 2pdz n ILE 28 Ca 0.30 0.60 -0.36 0.00 0.56 0.00 0.00 62.75 63.85 2pdz n ILE 28 Cb 0.44 -3.53 -0.07 0.00 -0.75 0.00 0.00 39.64 35.73 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 -1.25 4.26 0.18 1.39 1.43 -0.89 -0.84 118.68 122.97 2pdz s LEU 29 Ca 0.05 0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 2pdz s LEU 29 Cb -0.01 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 2pdz s LEU 29 CO 0.19 0.16 1.42 -0.63 0.23 0.00 0.00 176.35 177.73 2pdz s ILE 30 N 0.21 2.97 -0.02 -0.59 1.01 -0.37 0.98 121.20 125.37 2pdz s ILE 30 Ca 0.14 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.54 2pdz s ILE 30 Cb -0.13 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2pdz s ILE 30 CO 0.03 0.08 0.02 -0.24 0.00 0.00 0.00 174.94 174.83 2pdz n SER 31 N 3.26 0.22 -3.34 3.58 2.88 -0.66 -0.19 113.62 119.38 2pdz n SER 31 Ca 0.10 -0.49 -0.12 0.00 -1.33 0.00 0.00 58.87 57.03 2pdz n SER 31 Cb 0.41 1.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.80 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 -1.09 0.40 -0.76 -1.46 2.20 -0.89 -4.91 119.74 113.23 2pdz s LYS 32 Ca 0.00 -0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.39 2pdz s LYS 32 Cb 0.00 -0.44 0.10 0.00 -1.51 0.00 0.00 37.83 35.99 2pdz s LYS 32 CO 0.02 -1.05 1.00 0.42 -0.36 0.00 0.00 175.35 175.38 2pdz s ILE 33 N 2.42 4.56 0.20 5.43 -1.09 -1.26 -1.12 121.20 130.33 2pdz s ILE 33 Ca 0.10 -0.94 -0.31 0.00 -2.23 0.00 0.00 60.65 57.27 2pdz s ILE 33 Cb -0.13 -4.70 -0.16 0.00 -1.58 0.00 0.00 42.46 35.89 2pdz s ILE 33 CO -0.30 -1.43 0.89 0.49 -1.23 0.00 0.00 174.94 173.36 2pdz n PHE 34 N 7.05 0.59 -2.02 3.97 3.01 -1.26 -4.86 117.46 123.94 2pdz n PHE 34 Ca 0.07 0.83 -0.31 0.00 1.01 0.00 0.00 57.45 59.04 2pdz n PHE 34 Cb 0.46 -2.14 -0.00 0.00 -0.01 0.00 0.00 39.48 37.79 2pdz n PHE 34 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pdz s LYS 35 N -0.88 3.70 -1.63 -1.08 2.20 -1.26 -3.46 119.74 117.33 2pdz s LYS 35 Ca 0.68 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2pdz s LYS 35 Cb -0.88 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2pdz s LYS 35 CO 0.56 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 2pdz n GLY 36 N -2.42 1.06 3.76 5.54 0.00 -1.26 -4.93 105.19 106.94 2pdz n GLY 36 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.51 3.20 0.00 0.99 2.01 -1.22 -4.92 118.68 114.22 2pdz s LEU 37 Ca 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.20 2pdz s LEU 37 Cb 0.00 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.57 2pdz s LEU 37 CO 0.00 -0.51 0.98 0.00 1.01 0.00 0.00 176.35 177.83 2pdz n ALA 38 N -1.28 -0.38 0.00 4.21 0.00 -1.20 0.95 120.51 122.81 2pdz n ALA 38 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 2pdz n ALA 38 Cb 0.63 0.10 0.59 0.00 0.00 0.00 0.00 19.45 20.77 2pdz n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pdz h ALA 39 N -1.81 2.38 0.01 0.00 0.00 -1.48 0.22 119.26 118.58 2pdz h ALA 39 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 2pdz h ALA 39 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2pdz h ALA 39 CO 0.00 -1.09 -2.01 -3.47 0.00 0.00 0.00 179.25 172.69 2pdz n ASP 40 N -3.38 0.82 -0.59 0.00 -0.08 -0.93 -3.23 116.55 109.16 2pdz n ASP 40 Ca 0.12 0.23 0.04 0.00 -1.51 0.00 0.00 54.79 53.67 2pdz n ASP 40 Cb 0.99 0.15 0.12 0.00 2.34 0.00 0.00 41.12 44.72 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 -3.02 1.77 -0.24 -0.67 -0.00 0.27 -3.71 117.38 111.79 2pdz n GLN 41 Ca -0.26 -0.99 0.12 0.00 -0.00 0.00 0.00 57.00 55.87 2pdz n GLN 41 Cb 1.08 -1.32 0.26 0.00 -0.00 0.00 0.00 30.24 30.26 2pdz n GLN 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2pdz n THR 42 N 0.27 0.63 -3.80 -0.39 -2.24 -0.63 -4.97 114.28 103.14 2pdz n THR 42 Ca 0.09 -0.78 -0.27 0.00 -2.27 0.00 0.00 64.05 60.82 2pdz n THR 42 Cb 0.30 0.78 0.01 0.00 -2.10 0.00 0.00 70.33 69.32 2pdz n THR 42 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2pdz n GLU 43 N 1.45 -2.80 0.01 -0.78 0.00 -1.24 -4.64 120.64 112.64 2pdz n GLU 43 Ca 0.21 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.83 2pdz n GLU 43 Cb 0.59 -4.50 0.00 0.00 0.00 0.00 0.00 31.44 27.53 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pdz n ALA 44 N -4.29 0.00 -2.05 4.31 0.00 -1.26 -5.04 120.51 112.19 2pdz n ALA 44 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 2pdz n ALA 44 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.69 3.11 0.13 0.00 1.43 -1.20 -4.90 118.68 112.55 2pdz s LEU 45 Ca 0.00 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 2pdz s LEU 45 Cb 0.00 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2pdz s LEU 45 CO 0.00 -2.92 -0.08 0.72 0.23 0.00 0.00 176.35 174.31 2pdz s PHE 46 N 10.59 2.75 1.00 0.29 -0.12 -1.26 -4.23 117.98 127.00 2pdz s PHE 46 Ca 0.70 -0.16 -0.16 0.00 -0.05 0.00 0.00 56.93 57.27 2pdz s PHE 46 Cb -0.04 -1.41 -0.00 0.00 -0.63 0.00 0.00 43.02 40.94 2pdz s PHE 46 CO 0.05 0.46 -0.03 0.28 -0.05 0.00 0.00 175.22 175.93 2pdz n VAL 47 N 0.46 0.00 -2.27 -2.49 0.31 -1.26 -3.34 118.33 109.73 2pdz n VAL 47 Ca -0.12 -0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 63.88 2pdz n VAL 47 Cb 0.53 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 2.12 0.20 3.10 2.92 0.00 0.73 -4.92 105.19 109.34 2pdz n GLY 48 Ca 0.03 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.80 4.85 -0.80 1.61 1.01 -1.21 -1.10 116.67 118.23 2pdz s ASP 49 Ca 0.04 -1.73 -0.25 0.00 0.71 0.00 0.00 52.55 51.32 2pdz s ASP 49 Cb -0.02 -1.68 0.05 0.00 1.01 0.00 0.00 42.92 42.28 2pdz s ASP 49 CO 0.05 -0.35 1.26 0.00 0.21 0.00 0.00 175.17 176.34 2pdz s ALA 50 N 1.09 2.84 0.28 5.23 0.00 -1.03 -1.24 121.76 128.93 2pdz s ALA 50 Ca 0.02 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 2pdz s ALA 50 Cb -0.20 -4.24 -0.11 0.00 0.00 0.00 0.00 23.12 18.56 2pdz s ALA 50 CO -0.05 -3.26 1.54 0.42 0.00 0.00 0.00 175.76 174.42 2pdz s ILE 51 N 5.09 2.26 -0.02 0.00 1.01 -0.02 -0.46 121.20 129.06 2pdz s ILE 51 Ca 0.35 0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.25 2pdz s ILE 51 Cb -0.07 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2pdz s ILE 51 CO 0.07 0.03 0.83 0.18 0.00 0.00 0.00 174.94 176.06 2pdz n LEU 52 N 2.24 0.80 0.00 2.97 4.77 -0.64 -4.36 117.00 122.78 2pdz n LEU 52 Ca 0.08 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 2pdz n LEU 52 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2pdz n LEU 52 CO 0.63 0.28 0.00 -1.20 -1.33 0.00 0.00 177.39 175.77 2pdz n SER 53 N -0.33 0.00 -4.68 -1.43 7.64 -1.25 -0.90 113.62 112.67 2pdz n SER 53 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2pdz n SER 53 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2pdz s VAL 54 N 0.00 5.25 -1.97 0.44 -7.23 -1.09 0.85 120.40 116.65 2pdz s VAL 54 Ca 0.00 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 2pdz s VAL 54 Cb 0.00 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.26 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 4.22 -5.53 -0.02 4.85 5.03 0.47 -1.63 115.26 122.64 2pdz n ASN 55 Ca -0.10 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2pdz n ASN 55 Cb 0.51 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.51 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pdz n GLY 56 N -0.65 0.99 2.91 7.41 0.00 -1.26 -4.99 105.19 109.60 2pdz n GLY 56 Ca -0.22 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.88 1.49 -0.97 1.61 0.41 -0.65 -5.04 118.70 112.68 2pdz s GLU 57 Ca 0.00 -2.01 -0.26 0.00 -0.41 0.00 0.00 54.97 52.30 2pdz s GLU 57 Cb 0.00 -2.94 -0.24 0.00 -1.78 0.00 0.00 34.13 29.17 2pdz s GLU 57 CO 0.00 -1.03 2.55 -3.47 -0.49 0.00 0.00 175.26 172.82 2pdz n ASP 58 N 3.89 0.04 -0.01 -0.19 -0.08 -1.26 -2.67 116.55 116.28 2pdz n ASP 58 Ca 0.04 -0.06 0.14 0.00 -1.51 0.00 0.00 54.79 53.40 2pdz n ASP 58 Cb 0.38 -0.89 0.66 0.00 2.34 0.00 0.00 41.12 43.61 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 9.87 0.04 -0.25 -2.67 7.99 -0.08 -3.72 117.00 128.17 2pdz n LEU 59 Ca 0.64 0.38 0.12 0.00 -0.01 0.00 0.00 56.01 57.14 2pdz n LEU 59 Cb 0.09 -0.39 0.39 0.00 -0.11 0.00 0.00 43.42 43.40 2pdz n LEU 59 CO 0.95 0.01 1.22 0.77 -1.51 0.00 0.00 177.39 178.83 2pdz h SER 60 N 0.03 0.62 -0.52 -1.43 4.64 -1.83 0.24 113.55 115.29 2pdz h SER 60 Ca 0.00 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 2pdz h SER 60 Cb 0.41 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 2pdz h SER 60 CO 0.00 0.32 0.12 -0.24 -0.87 0.00 0.00 176.83 176.16 2pdz n SER 61 N -4.54 4.43 -4.52 4.97 2.88 -1.24 -4.92 113.62 110.67 2pdz n SER 61 Ca 0.16 -2.84 -0.24 0.00 -1.33 0.00 0.00 58.87 54.62 2pdz n SER 61 Cb 0.46 -0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 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 -2.41 2.89 0.47 -1.46 0.00 0.83 -5.13 121.76 116.95 2pdz s ALA 62 Ca 0.43 -1.90 -0.00 0.00 0.00 0.00 0.00 51.96 50.48 2pdz s ALA 62 Cb 0.33 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2pdz s ALA 62 CO 0.11 0.22 0.08 0.25 0.00 0.00 0.00 175.76 176.42 2pdz n THR 63 N -0.72 0.00 0.24 0.00 -2.24 -1.26 -4.14 114.28 106.16 2pdz n THR 63 Ca -0.05 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.74 2pdz n THR 63 Cb 0.61 -1.41 0.59 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.47 0.00 0.09 4.78 2.76 -1.87 -2.84 115.15 117.61 2pdz h HIS 64 Ca -0.03 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.85 2pdz h HIS 64 Cb 0.09 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.08 2pdz h HIS 64 CO 0.00 0.16 -1.20 -0.44 -1.30 0.00 0.00 177.93 175.15 2pdz h ASP 65 N 0.00 0.87 0.40 3.26 3.32 -1.93 -2.65 116.42 119.71 2pdz h ASP 65 Ca -0.00 -0.78 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 2pdz h ASP 65 Cb 0.58 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2pdz h ASP 65 CO 0.02 1.59 -0.13 -0.33 -1.72 0.00 0.00 179.24 178.67 2pdz h GLU 66 N 0.30 0.00 0.20 3.56 4.39 -1.86 -0.70 114.58 120.47 2pdz h GLU 66 Ca -0.17 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.21 2pdz h GLU 66 Cb 1.87 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.54 2pdz h GLU 66 CO 0.23 0.13 -1.49 0.00 -1.16 0.00 0.00 179.01 176.72 2pdz h ALA 67 N 1.87 0.01 0.00 3.43 0.00 -1.47 -3.23 119.26 119.87 2pdz h ALA 67 Ca -0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 54.91 53.82 2pdz h ALA 67 Cb 0.36 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2pdz h ALA 67 CO 0.02 0.79 -0.57 0.28 0.00 0.00 0.00 179.25 179.77 2pdz h VAL 68 N 0.00 1.25 -0.64 0.00 2.07 -1.26 -2.79 116.25 114.89 2pdz h VAL 68 Ca -0.28 -2.05 -0.08 0.00 0.82 0.00 0.00 66.70 65.10 2pdz h VAL 68 Cb 2.02 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 2pdz h VAL 68 CO 0.20 0.56 0.08 1.56 0.02 0.00 0.00 177.57 179.98 2pdz h GLN 69 N 0.00 1.08 -0.03 1.57 1.08 -1.23 -0.54 115.11 117.03 2pdz h GLN 69 Ca -0.01 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2pdz h GLN 69 Cb 1.11 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2pdz h GLN 69 CO 0.07 1.01 -0.02 0.00 -0.95 0.00 0.00 178.83 178.95 2pdz h ALA 70 N 1.03 0.05 -0.05 3.87 0.00 -1.55 -2.07 119.26 120.53 2pdz h ALA 70 Ca 0.19 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2pdz h ALA 70 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pdz h ALA 70 CO 0.02 -0.22 0.09 -0.07 0.00 0.00 0.00 179.25 179.06 2pdz h LEU 71 N -0.33 0.00 0.10 0.00 3.38 -1.39 -0.87 115.31 116.20 2pdz h LEU 71 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2pdz h LEU 71 Cb 0.45 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.23 2pdz h LEU 71 CO 0.01 0.00 -1.21 0.50 0.09 0.00 0.00 178.44 177.82 2pdz h LYS 72 N 0.00 0.64 -2.27 1.13 1.63 -0.62 -3.36 116.57 113.71 2pdz h LYS 72 Ca 0.02 -0.82 -0.62 0.00 -0.85 0.00 0.00 60.65 58.38 2pdz h LYS 72 Cb 0.19 0.27 -0.41 0.00 -0.60 0.00 0.00 32.23 31.68 2pdz h LYS 72 CO -0.00 1.37 -0.47 1.17 -3.45 0.00 0.00 179.45 178.07 2pdz n LYS 73 N -3.81 3.10 -2.04 1.90 3.00 -0.40 -5.07 118.16 114.84 2pdz n LYS 73 Ca -0.13 -4.76 -0.28 0.00 -0.00 0.00 0.00 58.31 53.13 2pdz n LYS 73 Cb 0.97 -2.27 0.13 0.00 0.00 0.00 0.00 35.03 33.86 2pdz n LYS 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2pdz s THR 74 N -3.53 2.06 0.33 3.15 -4.23 -0.80 -4.87 115.64 107.75 2pdz s THR 74 Ca 0.44 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2pdz s THR 74 Cb 0.21 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 71.16 2pdz s THR 74 CO -0.07 0.00 0.46 0.61 -0.54 0.00 0.00 174.62 175.07 2pdz n GLY 75 N -3.40 1.48 0.38 3.99 0.00 -1.26 -4.95 105.19 101.43 2pdz n GLY 75 Ca 0.12 -2.11 0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 -4.66 1.61 6.56 -1.95 -3.30 116.57 115.28 2pdz h LYS 76 Ca -0.15 -0.03 -0.67 0.00 -1.06 0.00 0.00 60.65 58.74 2pdz h LYS 76 Cb 0.64 -0.10 -0.38 0.00 -0.57 0.00 0.00 32.23 31.82 2pdz h LYS 76 CO 0.19 0.30 -0.68 -1.83 -2.06 0.00 0.00 179.45 175.37 2pdz s GLU 77 N -5.60 1.78 -0.75 3.15 -1.05 -1.26 -1.25 118.70 113.71 2pdz s GLU 77 Ca -0.10 -1.76 -0.24 0.00 -0.15 0.00 0.00 54.97 52.72 2pdz s GLU 77 Cb 0.26 -3.27 -0.19 0.00 -0.44 0.00 0.00 34.13 30.49 2pdz s GLU 77 CO 0.80 -0.91 1.88 0.28 0.95 0.00 0.00 175.26 178.26 2pdz n VAL 78 N 4.39 1.32 -2.06 1.83 0.31 0.23 -4.77 118.33 119.58 2pdz n VAL 78 Ca -0.01 -1.23 -0.41 0.00 -0.01 0.00 0.00 64.34 62.67 2pdz n VAL 78 Cb 0.42 -2.19 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 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 8.10 3.49 -0.21 2.52 1.01 -1.26 -1.54 120.40 132.51 2pdz s VAL 79 Ca 0.65 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 2pdz s VAL 79 Cb 0.09 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2pdz s VAL 79 CO 0.18 -0.63 -0.08 -0.76 0.00 0.00 0.00 175.10 173.81 2pdz s LEU 80 N 7.46 2.72 0.14 3.92 1.02 0.30 0.18 118.68 134.42 2pdz s LEU 80 Ca 0.73 -0.47 -0.30 0.00 0.02 0.00 0.00 54.13 54.10 2pdz s LEU 80 Cb -0.18 -1.67 -0.07 0.00 0.02 0.00 0.00 46.19 44.29 2pdz s LEU 80 CO 0.29 -0.02 1.19 -0.70 0.02 0.00 0.00 176.35 177.13 2pdz s GLU 81 N 1.43 4.48 0.02 1.70 2.56 0.25 -1.69 118.70 127.45 2pdz s GLU 81 Ca 0.05 1.83 0.02 0.00 0.00 0.00 0.00 54.97 56.88 2pdz s GLU 81 Cb -0.14 -3.28 -0.01 0.00 2.00 0.00 0.00 34.13 32.70 2pdz s GLU 81 CO -0.06 -0.14 -0.07 0.54 -0.56 0.00 0.00 175.26 174.97 2pdz s VAL 82 N 0.31 0.55 -0.80 3.70 0.11 0.16 -1.61 120.40 122.82 2pdz s VAL 82 Ca 0.55 -0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2pdz s VAL 82 Cb -0.31 -0.53 0.20 0.00 -1.53 0.00 0.00 36.38 34.21 2pdz s VAL 82 CO 0.34 -0.08 0.68 -0.75 -3.33 0.00 0.00 175.10 171.97 2pdz s LYS 83 N -0.78 3.19 -0.04 1.54 2.47 0.39 0.13 119.74 126.65 2pdz s LYS 83 Ca -0.02 -2.79 -0.35 0.00 -1.56 0.00 0.00 55.97 51.25 2pdz s LYS 83 Cb -0.06 -4.06 -0.13 0.00 -1.46 0.00 0.00 37.83 32.13 2pdz s LYS 83 CO 0.00 -1.23 1.78 0.98 0.16 0.00 0.00 175.35 177.03 2pdz n TYR 84 N 3.21 2.26 -2.38 4.03 4.19 -1.26 -2.46 117.16 124.75 2pdz n TYR 84 Ca 0.15 0.13 -0.32 0.00 3.31 0.00 0.00 57.90 61.16 2pdz n TYR 84 Cb 0.40 -2.61 0.01 0.00 0.49 0.00 0.00 39.34 37.63 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 5.62 3.38 0.00 2.98 2.81 -0.25 -4.76 117.12 126.90 2pdz n MET 85 Ca 0.21 -4.26 0.08 0.00 -1.81 0.00 0.00 57.70 51.92 2pdz n MET 85 Cb 0.28 -2.28 0.48 0.00 -0.71 0.00 0.00 33.22 30.99 2pdz n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84