#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 1.25 -0.17 5.56 0.52 0.41 -4.67 118.95 121.85 2pdz s ARG 2 Ca 0.00 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 2pdz s ARG 2 Cb 0.00 0.51 0.06 0.00 0.52 0.00 0.00 34.95 36.04 2pdz s ARG 2 CO 0.00 -0.52 0.09 0.50 0.02 0.00 0.00 175.30 175.39 2pdz s ARG 3 N -3.84 0.07 0.16 3.54 3.52 -1.26 -1.27 118.95 119.87 2pdz s ARG 3 Ca 0.06 -0.09 0.09 0.00 -0.13 0.00 0.00 55.73 55.66 2pdz s ARG 3 Cb 0.00 -1.83 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 2pdz s ARG 3 CO -0.07 -0.67 -0.14 0.08 -0.81 0.00 0.00 175.30 173.69 2pdz s VAL 4 N 2.14 3.01 -0.15 7.11 1.01 -0.81 -4.97 120.40 127.73 2pdz s VAL 4 Ca 0.02 -1.63 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 2pdz s VAL 4 Cb -0.16 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.81 2pdz s VAL 4 CO -0.09 -0.04 -0.01 -0.89 0.00 0.00 0.00 175.10 174.07 2pdz s THR 5 N -1.51 0.70 -0.28 3.92 2.01 -1.26 0.12 115.64 119.33 2pdz s THR 5 Ca 0.22 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 2pdz s THR 5 Cb -0.09 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2pdz s THR 5 CO 0.13 0.06 0.15 -0.69 -0.69 0.00 0.00 174.62 173.58 2pdz s VAL 6 N 1.81 4.85 -1.01 3.82 1.01 -0.62 -4.88 120.40 125.38 2pdz s VAL 6 Ca 0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2pdz s VAL 6 Cb -0.15 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 33.01 2pdz s VAL 6 CO -0.07 0.22 1.25 -0.13 0.00 0.00 0.00 175.10 176.36 2pdz s ARG 7 N 1.68 3.70 -0.34 2.72 0.52 -1.26 -0.26 118.95 125.72 2pdz s ARG 7 Ca 0.06 -1.85 -0.37 0.00 -0.52 0.00 0.00 55.73 53.05 2pdz s ARG 7 Cb -0.16 -5.02 -0.13 0.00 0.52 0.00 0.00 34.95 30.16 2pdz s ARG 7 CO 0.08 -1.84 2.09 1.63 0.02 0.00 0.00 175.30 177.27 2pdz n LYS 8 N 6.73 1.02 -2.52 3.54 5.02 -0.42 -4.83 118.16 126.69 2pdz n LYS 8 Ca 0.28 0.31 -0.25 0.00 -2.02 0.00 0.00 58.31 56.63 2pdz n LYS 8 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pdz n ALA 9 N 8.62 4.89 -2.07 7.82 0.00 -1.26 -4.81 120.51 133.70 2pdz n ALA 9 Ca 0.39 -4.24 -0.17 0.00 0.00 0.00 0.00 53.44 49.42 2pdz n ALA 9 Cb 0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2pdz n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pdz n ASP 10 N -0.43 -4.85 -3.15 0.00 9.92 -1.26 -4.80 116.55 111.98 2pdz n ASP 10 Ca 0.36 0.21 -0.26 0.00 -0.53 0.00 0.00 54.79 54.57 2pdz n ASP 10 Cb 0.66 -4.18 -0.03 0.00 -0.64 0.00 0.00 41.12 36.93 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pdz n ALA 11 N -0.95 5.54 -3.53 2.24 0.00 -1.26 -4.48 120.51 118.08 2pdz n ALA 11 Ca -0.19 -2.38 -0.26 0.00 0.00 0.00 0.00 53.44 50.61 2pdz n ALA 11 Cb 0.62 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 3.64 -0.49 0.00 0.00 0.00 -1.26 -4.46 105.19 102.62 2pdz n GLY 12 Ca 0.53 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.31 0.10 0.00 -0.02 0.00 -1.26 -4.64 105.19 98.06 2pdz n GLY 13 Ca -0.00 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.22 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 0.02 -2.77 0.99 0.00 -1.26 -4.40 117.00 109.58 2pdz n LEU 14 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 56.01 55.96 2pdz n LEU 14 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.42 2pdz n LEU 14 CO 0.00 0.00 -0.50 0.61 0.00 0.00 0.00 177.39 177.50 2pdz n GLY 15 N 2.17 -3.90 3.22 -3.96 0.00 -1.26 -2.50 105.19 98.95 2pdz n GLY 15 Ca -0.01 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.56 -0.16 -0.41 -0.61 2.07 -1.26 -3.69 121.20 115.58 2pdz s ILE 16 Ca -0.00 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 2pdz s ILE 16 Cb 0.00 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.70 2pdz s ILE 16 CO 0.71 0.00 0.22 -0.55 -1.91 0.00 0.00 174.94 173.40 2pdz s SER 17 N 2.25 5.30 0.47 4.50 0.15 0.07 -4.98 113.70 121.46 2pdz s SER 17 Ca -0.01 -2.00 -0.20 0.00 0.70 0.00 0.00 55.95 54.44 2pdz s SER 17 Cb -0.03 -1.85 -0.09 0.00 -1.71 0.00 0.00 66.02 62.34 2pdz s SER 17 CO -0.15 -0.56 0.99 0.27 1.20 0.00 0.00 173.24 174.99 2pdz s ILE 18 N 1.17 4.12 -0.06 6.45 -4.36 -1.26 -1.75 121.20 125.51 2pdz s ILE 18 Ca 0.08 1.29 -0.01 0.00 -0.26 0.00 0.00 60.65 61.75 2pdz s ILE 18 Cb -0.23 -3.53 0.03 0.00 1.25 0.00 0.00 42.46 39.97 2pdz s ILE 18 CO -0.04 -0.32 0.00 -0.75 0.24 0.00 0.00 174.94 174.08 2pdz s LYS 19 N -3.30 0.52 0.00 0.37 2.20 0.16 -4.76 119.74 114.94 2pdz s LYS 19 Ca 0.64 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 2pdz s LYS 19 Cb -0.12 -0.82 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 2pdz s LYS 19 CO 0.18 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2pdz n GLY 20 N 4.81 0.16 0.00 5.54 0.00 -1.26 -2.12 105.19 112.32 2pdz n GLY 20 Ca -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 4.70 0.14 -0.02 0.00 -1.23 -4.62 105.19 104.16 2pdz n GLY 21 Ca 0.00 -1.19 0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.94 0.13 0.00 1.61 3.00 -1.25 -1.44 116.66 116.76 2pdz n ARG 22 Ca 0.00 0.59 0.09 0.00 -0.00 0.00 0.00 57.85 58.53 2pdz n ARG 22 Cb 0.00 -1.89 0.39 0.00 0.00 0.00 0.00 32.46 30.97 2pdz n ARG 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2pdz n GLU 23 N -2.15 0.06 -0.78 -0.14 2.13 -1.26 -2.91 120.64 115.59 2pdz n GLU 23 Ca -0.01 0.18 0.05 0.00 0.66 0.00 0.00 57.16 58.04 2pdz n GLU 23 Cb 0.06 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.45 1.27 -3.83 4.31 3.02 -0.52 -4.98 115.26 113.07 2pdz n ASN 24 Ca 0.05 -2.78 -0.28 0.00 -0.03 0.00 0.00 54.58 51.54 2pdz n ASN 24 Cb 0.19 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.44 -6.00 -4.60 3.52 5.02 -1.14 -4.96 118.16 109.55 2pdz n LYS 25 Ca 0.11 0.65 -0.32 0.00 -2.02 0.00 0.00 58.31 56.73 2pdz n LYS 25 Cb 0.83 -5.55 -0.17 0.00 -0.02 0.00 0.00 35.03 30.12 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 -6.51 2.88 -0.22 1.97 -1.94 -1.15 -5.01 119.30 109.33 2pdz s MET 26 Ca 0.60 -0.80 -0.04 0.00 -1.71 0.00 0.00 55.69 53.74 2pdz s MET 26 Cb -0.29 -2.35 -0.11 0.00 2.01 0.00 0.00 34.83 34.08 2pdz s MET 26 CO 0.81 -0.03 2.07 -0.35 -0.01 0.00 0.00 175.02 177.51 2pdz n PRO 27 N 4.13 1.25 -3.12 2.03 -0.04 -1.26 -3.47 135.00 134.51 2pdz n PRO 27 Ca -0.20 -0.74 -0.02 0.00 -0.04 0.00 0.00 63.50 62.50 2pdz n PRO 27 Cb 0.51 -1.93 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 3.15 -3.86 -3.83 0.52 2.08 -1.26 -2.04 119.36 114.12 2pdz n ILE 28 Ca 0.27 0.71 -0.36 0.00 0.56 0.00 0.00 62.75 63.94 2pdz n ILE 28 Cb 0.38 -3.72 -0.10 0.00 -0.75 0.00 0.00 39.64 35.44 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 -1.19 3.90 0.29 1.39 2.96 -0.90 -0.85 118.68 124.28 2pdz s LEU 29 Ca 0.02 0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2pdz s LEU 29 Cb -0.00 -2.02 -0.11 0.00 0.50 0.00 0.00 46.19 44.56 2pdz s LEU 29 CO 0.18 0.11 1.53 -0.63 -1.32 0.00 0.00 176.35 176.22 2pdz s ILE 30 N 0.79 2.25 0.00 6.68 1.01 -0.78 0.38 121.20 131.53 2pdz s ILE 30 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.92 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 0.00 174.94 174.76 2pdz n SER 31 N 1.98 3.84 -3.46 3.58 2.88 -0.72 -0.60 113.62 121.12 2pdz n SER 31 Ca 0.07 -0.07 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2pdz n SER 31 Cb 0.39 0.90 -0.12 0.00 -0.75 0.00 0.00 64.21 64.63 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 -1.67 0.24 -0.43 -1.46 2.20 -1.04 -4.87 119.74 112.71 2pdz s LYS 32 Ca 0.00 0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 55.51 2pdz s LYS 32 Cb 0.00 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.35 2pdz s LYS 32 CO 0.00 -0.79 0.52 0.42 -0.36 0.00 0.00 175.35 175.15 2pdz s ILE 33 N 2.34 4.98 0.05 5.43 -1.09 -1.26 -0.75 121.20 130.90 2pdz s ILE 33 Ca 0.08 -0.19 -0.31 0.00 -2.23 0.00 0.00 60.65 58.01 2pdz s ILE 33 Cb -0.15 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.55 2pdz s ILE 33 CO -0.20 -0.51 1.32 -0.36 -1.23 0.00 0.00 174.94 173.96 2pdz s PHE 34 N 2.42 3.18 1.00 3.97 0.40 -1.24 -4.94 117.98 122.75 2pdz s PHE 34 Ca 0.16 1.03 -0.15 0.00 -0.60 0.00 0.00 56.93 57.38 2pdz s PHE 34 Cb -0.16 -3.58 0.19 0.00 0.51 0.00 0.00 43.02 39.98 2pdz s PHE 34 CO 0.16 -2.00 1.15 0.15 0.70 0.00 0.00 175.22 175.38 2pdz s LYS 35 N 1.57 0.39 -1.79 0.44 1.02 -1.26 -3.82 119.74 116.29 2pdz s LYS 35 Ca 0.62 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.73 2pdz s LYS 35 Cb -0.32 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2pdz s LYS 35 CO 0.28 -2.67 0.00 0.41 -0.92 0.00 0.00 175.35 172.45 2pdz n GLY 36 N -2.00 -0.40 3.12 -3.33 0.00 -1.26 -4.97 105.19 96.34 2pdz n GLY 36 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.94 2.48 0.10 0.99 1.43 -1.25 -4.91 118.68 111.59 2pdz s LEU 37 Ca 0.00 -0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 51.88 2pdz s LEU 37 Cb 0.00 0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.22 2pdz s LEU 37 CO 0.00 -0.53 1.41 0.00 0.23 0.00 0.00 176.35 177.47 2pdz h ALA 38 N 3.16 -0.61 -0.30 4.21 0.00 -1.77 0.72 119.26 124.67 2pdz h ALA 38 Ca -0.34 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2pdz h ALA 38 Cb 1.15 1.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.96 2pdz h ALA 38 CO 0.64 -0.84 -0.46 0.00 0.00 0.00 0.00 179.25 178.59 2pdz h ALA 39 N -0.23 -0.58 0.00 0.00 0.00 -1.70 0.34 119.26 117.08 2pdz h ALA 39 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pdz h ALA 39 Cb 0.42 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2pdz h ALA 39 CO -0.52 -0.94 0.00 -3.47 0.00 0.00 0.00 179.25 174.32 2pdz n ASP 40 N -5.42 0.00 -0.56 0.00 -0.08 -0.88 -2.82 116.55 106.80 2pdz n ASP 40 Ca -0.03 -0.81 0.09 0.00 -1.51 0.00 0.00 54.79 52.53 2pdz n ASP 40 Cb 0.36 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.85 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 -0.97 1.57 -0.59 -0.67 6.02 0.24 -4.34 117.38 118.64 2pdz n GLN 41 Ca 0.18 -1.21 0.09 0.00 -0.01 0.00 0.00 57.00 56.05 2pdz n GLN 41 Cb 0.08 -1.33 0.34 0.00 1.02 0.00 0.00 30.24 30.35 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 0.45 1.74 -4.00 5.09 5.66 -0.66 -4.94 114.28 117.61 2pdz n THR 42 Ca 0.09 -1.12 -0.26 0.00 -3.05 0.00 0.00 64.05 59.71 2pdz n THR 42 Cb 0.41 0.10 -0.03 0.00 -1.55 0.00 0.00 70.33 69.26 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 1.08 -3.13 0.00 1.09 1.02 -1.26 -4.61 120.64 114.82 2pdz n GLU 43 Ca 0.25 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2pdz n GLU 43 Cb 0.86 -4.50 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 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 -4.42 0.00 -1.99 0.62 0.00 -1.26 -5.02 120.51 108.45 2pdz n ALA 44 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.89 2pdz n ALA 44 Cb 0.68 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 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 -3.07 2.93 0.16 0.00 1.98 -1.20 -4.89 118.68 114.59 2pdz s LEU 45 Ca 0.00 -1.56 0.08 0.00 -2.89 0.00 0.00 54.13 49.75 2pdz s LEU 45 Cb 0.00 -2.59 -0.04 0.00 0.66 0.00 0.00 46.19 44.22 2pdz s LEU 45 CO 0.00 -3.39 -0.05 0.72 -1.89 0.00 0.00 176.35 171.74 2pdz s PHE 46 N 12.11 2.77 1.10 5.38 -0.12 -1.26 -4.08 117.98 133.88 2pdz s PHE 46 Ca 0.71 -0.16 -0.18 0.00 -0.05 0.00 0.00 56.93 57.25 2pdz s PHE 46 Cb -0.01 -1.36 0.11 0.00 -0.63 0.00 0.00 43.02 41.12 2pdz s PHE 46 CO 0.14 0.50 0.12 0.28 -0.05 0.00 0.00 175.22 176.22 2pdz n VAL 47 N 0.08 0.00 -2.21 -2.49 0.31 -1.26 -3.46 118.33 109.30 2pdz n VAL 47 Ca -0.11 -0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 2pdz n VAL 47 Cb 0.55 -0.63 -0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 1.89 -0.02 3.09 2.92 0.00 0.23 -4.90 105.19 108.40 2pdz n GLY 48 Ca 0.02 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.58 5.13 -0.53 1.61 1.11 -1.22 -1.01 116.67 119.18 2pdz s ASP 49 Ca 0.01 -2.07 -0.28 0.00 0.18 0.00 0.00 52.55 50.38 2pdz s ASP 49 Cb -0.00 -1.78 0.03 0.00 1.07 0.00 0.00 42.92 42.24 2pdz s ASP 49 CO 0.01 -0.50 1.23 0.00 1.18 0.00 0.00 175.17 177.08 2pdz s ALA 50 N 1.06 3.02 0.23 5.23 0.00 -1.03 -1.87 121.76 128.42 2pdz s ALA 50 Ca 0.09 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 2pdz s ALA 50 Cb -0.22 -3.99 -0.09 0.00 0.00 0.00 0.00 23.12 18.82 2pdz s ALA 50 CO -0.05 -2.55 1.05 0.42 0.00 0.00 0.00 175.76 174.63 2pdz s ILE 51 N 4.99 3.79 0.00 0.00 1.01 -0.03 0.26 121.20 131.23 2pdz s ILE 51 Ca 0.47 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.84 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 0.28 0.37 0.68 0.18 0.00 0.00 0.00 174.94 176.45 2pdz n LEU 52 N 1.65 1.09 0.00 2.97 7.99 -0.71 -4.37 117.00 125.62 2pdz n LEU 52 Ca -0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 56.01 54.91 2pdz n LEU 52 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 2pdz n LEU 52 CO 0.53 0.27 0.00 -1.54 -1.51 0.00 0.00 177.39 175.14 2pdz n SER 53 N -0.23 0.00 -4.63 -1.43 3.41 -1.26 -1.00 113.62 108.48 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 0.27 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 5.05 -1.50 -3.33 -7.23 -1.02 -1.69 120.40 110.69 2pdz s VAL 54 Ca 0.00 1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 61.12 2pdz s VAL 54 Cb 0.00 -3.87 0.01 0.00 0.56 0.00 0.00 36.38 33.07 2pdz s VAL 54 CO 0.00 0.09 0.73 0.59 -0.31 0.00 0.00 175.10 176.21 2pdz n ASN 55 N 5.38 -6.16 -0.02 4.85 5.03 0.42 -1.00 115.26 123.75 2pdz n ASN 55 Ca -0.03 -0.34 -0.00 0.00 0.87 0.00 0.00 54.58 55.08 2pdz n ASN 55 Cb 0.50 -4.93 -0.00 0.00 -1.02 0.00 0.00 39.78 34.33 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 -1.63 0.47 3.36 7.41 0.00 -1.26 -4.97 105.19 108.57 2pdz n GLY 56 Ca -0.08 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.45 3.47 -0.78 1.61 2.56 -0.17 -4.98 118.70 119.95 2pdz s GLU 57 Ca 0.00 -2.07 -0.36 0.00 0.00 0.00 0.00 54.97 52.54 2pdz s GLU 57 Cb 0.00 -4.51 -0.20 0.00 2.00 0.00 0.00 34.13 31.42 2pdz s GLU 57 CO 0.00 -1.44 2.47 -3.47 -0.56 0.00 0.00 175.26 172.26 2pdz n ASP 58 N 5.02 0.57 0.02 -1.70 2.03 -1.26 -2.42 116.55 118.81 2pdz n ASP 58 Ca 0.10 0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.88 2pdz n ASP 58 Cb 0.46 -0.94 0.07 0.00 -0.72 0.00 0.00 41.12 39.99 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 9.53 0.63 -0.28 -2.67 7.99 -0.17 -4.16 117.00 127.88 2pdz n LEU 59 Ca 0.60 -0.02 0.10 0.00 -0.01 0.00 0.00 56.01 56.69 2pdz n LEU 59 Cb 0.02 -0.13 0.34 0.00 -0.11 0.00 0.00 43.42 43.55 2pdz n LEU 59 CO 0.91 0.06 1.22 0.77 -1.51 0.00 0.00 177.39 178.84 2pdz h SER 60 N 0.00 0.72 -0.61 -1.43 4.64 -1.77 0.12 113.55 115.22 2pdz h SER 60 Ca 0.00 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 2pdz h SER 60 Cb 0.68 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 62.56 2pdz h SER 60 CO 0.00 0.39 0.19 -1.20 -0.87 0.00 0.00 176.83 175.34 2pdz n SER 61 N -4.55 4.57 -4.50 4.97 7.64 -1.26 -4.92 113.62 115.58 2pdz n SER 61 Ca 0.16 -2.99 -0.26 0.00 1.01 0.00 0.00 58.87 56.79 2pdz n SER 61 Cb 0.40 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.61 2.75 0.75 -0.43 0.00 0.41 -5.10 121.76 117.53 2pdz s ALA 62 Ca 0.47 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 2pdz s ALA 62 Cb 0.37 -0.49 0.10 0.00 0.00 0.00 0.00 23.12 23.10 2pdz s ALA 62 CO 0.12 0.41 1.06 0.95 0.00 0.00 0.00 175.76 178.31 2pdz s THR 63 N -1.84 2.21 0.59 0.00 -4.23 -1.26 -3.92 115.64 107.19 2pdz s THR 63 Ca 0.24 -0.28 0.29 0.00 -1.18 0.00 0.00 61.69 60.76 2pdz s THR 63 Cb -0.08 -2.93 0.37 0.00 1.34 0.00 0.00 72.50 71.21 2pdz s THR 63 CO 0.13 0.00 1.95 -0.74 -0.54 0.00 0.00 174.62 175.42 2pdz h HIS 64 N -0.76 0.00 -0.00 3.99 2.76 -1.86 0.12 115.15 119.40 2pdz h HIS 64 Ca -0.43 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.50 2pdz h HIS 64 Cb 1.29 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.27 2pdz h HIS 64 CO -0.01 0.00 -0.95 -0.44 -1.30 0.00 0.00 177.93 175.24 2pdz h ASP 65 N 0.00 0.84 0.46 3.26 3.32 -1.94 -2.48 116.42 119.88 2pdz h ASP 65 Ca 0.17 -0.74 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 2pdz h ASP 65 Cb 0.97 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 2pdz h ASP 65 CO -0.00 1.47 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.59 2pdz h GLU 66 N 0.29 0.00 0.20 3.56 5.08 -1.12 -1.11 114.58 121.48 2pdz h GLU 66 Ca -0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.91 2pdz h GLU 66 Cb 1.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.88 2pdz h GLU 66 CO 0.19 0.06 -1.62 0.00 -1.00 0.00 0.00 179.01 176.64 2pdz h ALA 67 N 1.94 0.07 0.00 3.43 0.00 -1.26 -3.25 119.26 120.18 2pdz h ALA 67 Ca -0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 54.91 53.73 2pdz h ALA 67 Cb 0.31 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2pdz h ALA 67 CO 0.01 0.90 -0.61 0.28 0.00 0.00 0.00 179.25 179.83 2pdz h VAL 68 N 0.06 1.27 -0.52 0.00 2.07 -1.20 -2.99 116.25 114.94 2pdz h VAL 68 Ca -0.31 -2.20 -0.08 0.00 0.82 0.00 0.00 66.70 64.93 2pdz h VAL 68 Cb 2.07 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 34.06 2pdz h VAL 68 CO 0.19 0.59 -0.00 -0.61 0.02 0.00 0.00 177.57 177.76 2pdz h GLN 69 N 0.00 0.88 -0.27 1.57 5.75 -1.32 0.60 115.11 122.31 2pdz h GLN 69 Ca -0.01 -0.25 -0.15 0.00 -0.15 0.00 0.00 58.65 58.09 2pdz h GLN 69 Cb 1.19 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 2pdz h GLN 69 CO 0.08 0.88 -0.44 0.00 -2.65 0.00 0.00 178.83 176.70 2pdz h ALA 70 N 1.18 0.72 0.00 3.38 0.00 -1.57 -2.02 119.26 120.94 2pdz h ALA 70 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pdz h ALA 70 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2pdz h ALA 70 CO 0.02 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.87 2pdz h LEU 71 N 0.55 0.00 0.12 0.00 3.38 -1.33 -0.41 115.31 117.62 2pdz h LEU 71 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2pdz h LEU 71 Cb 0.98 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.75 2pdz h LEU 71 CO 0.09 0.00 -0.82 0.50 0.09 0.00 0.00 178.44 178.30 2pdz h LYS 72 N 0.00 0.26 -0.71 1.13 1.63 -0.47 -3.33 116.57 115.08 2pdz h LYS 72 Ca 0.00 -0.45 -0.38 0.00 -0.85 0.00 0.00 60.65 58.97 2pdz h LYS 72 Cb 0.69 0.17 -0.22 0.00 -0.60 0.00 0.00 32.23 32.26 2pdz h LYS 72 CO 0.00 1.22 0.30 1.63 -3.45 0.00 0.00 179.45 179.15 2pdz n LYS 73 N -4.15 2.12 -2.05 1.90 4.76 -0.80 -5.01 118.16 114.94 2pdz n LYS 73 Ca -0.15 -3.14 -0.39 0.00 -2.87 0.00 0.00 58.31 51.75 2pdz n LYS 73 Cb 0.80 -2.03 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2pdz n LYS 73 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2pdz s THR 74 N -3.40 2.61 1.15 -0.18 2.01 -0.17 -4.99 115.64 112.67 2pdz s THR 74 Ca 0.52 0.54 -0.19 0.00 0.31 0.00 0.00 61.69 62.87 2pdz s THR 74 Cb 0.45 -3.32 0.28 0.00 0.01 0.00 0.00 72.50 69.92 2pdz s THR 74 CO 0.05 0.08 1.21 0.61 -0.69 0.00 0.00 174.62 175.88 2pdz n GLY 75 N 0.66 -2.28 0.23 4.40 0.00 -1.26 -4.92 105.19 102.02 2pdz n GLY 75 Ca 0.04 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 -0.06 -5.17 1.61 2.10 -1.92 -3.25 116.57 109.87 2pdz h LYS 76 Ca -0.43 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.56 2pdz h LYS 76 Cb 1.25 0.01 -0.17 0.00 -0.90 0.00 0.00 32.23 32.43 2pdz h LYS 76 CO 0.29 -0.04 0.77 -1.21 -2.00 0.00 0.00 179.45 177.26 2pdz s GLU 77 N -6.18 3.46 -1.29 0.07 0.41 -1.26 -1.30 118.70 112.60 2pdz s GLU 77 Ca -0.14 -1.48 -0.16 0.00 -0.41 0.00 0.00 54.97 52.78 2pdz s GLU 77 Cb 0.16 -4.74 0.10 0.00 -1.78 0.00 0.00 34.13 27.86 2pdz s GLU 77 CO 0.71 -1.80 1.71 0.28 -0.49 0.00 0.00 175.26 175.67 2pdz n VAL 78 N 5.67 4.00 -2.00 2.63 0.31 0.64 -4.89 118.33 124.69 2pdz n VAL 78 Ca 0.16 -4.19 -0.42 0.00 -0.01 0.00 0.00 64.34 59.88 2pdz n VAL 78 Cb 0.48 -2.41 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 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 3.23 3.29 -0.28 2.52 1.01 -1.26 -1.60 120.40 127.32 2pdz s VAL 79 Ca 0.50 0.66 0.02 0.00 0.00 0.00 0.00 61.98 63.15 2pdz s VAL 79 Cb 0.03 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 33.07 2pdz s VAL 79 CO 0.04 -0.01 -0.02 -0.76 0.00 0.00 0.00 175.10 174.35 2pdz s LEU 80 N 2.89 3.21 -0.04 3.92 1.02 0.33 0.16 118.68 130.17 2pdz s LEU 80 Ca 0.72 -1.52 -0.30 0.00 0.02 0.00 0.00 54.13 53.05 2pdz s LEU 80 Cb -0.37 -1.31 -0.05 0.00 0.02 0.00 0.00 46.19 44.48 2pdz s LEU 80 CO 0.31 -0.29 1.57 -0.70 0.02 0.00 0.00 176.35 177.25 2pdz s GLU 81 N 1.25 4.21 0.07 1.70 2.12 -0.68 -1.93 118.70 125.44 2pdz s GLU 81 Ca -0.00 2.11 0.07 0.00 0.36 0.00 0.00 54.97 57.51 2pdz s GLU 81 Cb -0.19 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 2pdz s GLU 81 CO -0.09 -0.77 -0.18 0.54 -0.54 0.00 0.00 175.26 174.22 2pdz s VAL 82 N 3.50 1.47 -0.68 3.70 0.11 -0.39 -1.75 120.40 126.36 2pdz s VAL 82 Ca 0.70 -1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 2pdz s VAL 82 Cb -0.33 -1.33 0.17 0.00 -1.53 0.00 0.00 36.38 33.37 2pdz s VAL 82 CO 0.28 -0.02 0.50 -0.75 -3.33 0.00 0.00 175.10 171.78 2pdz s LYS 83 N -1.55 2.69 0.09 1.54 2.20 0.14 0.16 119.74 125.01 2pdz s LYS 83 Ca 0.04 -2.70 -0.33 0.00 -0.36 0.00 0.00 55.97 52.61 2pdz s LYS 83 Cb -0.09 -3.76 -0.13 0.00 -1.51 0.00 0.00 37.83 32.34 2pdz s LYS 83 CO 0.03 -1.19 1.71 0.98 -0.36 0.00 0.00 175.35 176.51 2pdz n TYR 84 N 3.21 2.38 -2.40 4.03 4.19 -1.26 -2.46 117.16 124.85 2pdz n TYR 84 Ca 0.11 0.11 -0.37 0.00 3.31 0.00 0.00 57.90 61.07 2pdz n TYR 84 Cb 0.37 -2.61 0.02 0.00 0.49 0.00 0.00 39.34 37.61 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 4.65 3.86 0.00 2.98 2.81 -0.18 -4.83 117.12 126.41 2pdz n MET 85 Ca 0.19 -4.26 0.15 0.00 -1.81 0.00 0.00 57.70 51.97 2pdz n MET 85 Cb 0.31 -2.33 0.77 0.00 -0.71 0.00 0.00 33.22 31.26 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65