#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdn s GLY 3 N 0.00 2.62 0.28 1.69 0.00 -1.26 -4.37 107.32 106.27 1pdn s GLY 3 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 44.72 45.73 1pdn s GLY 3 CO 0.00 1.91 0.03 0.50 0.00 0.00 0.00 173.10 175.54 1pdn s ARG 4 N -0.14 1.49 -0.11 2.90 0.52 0.30 -4.97 118.95 118.93 1pdn s ARG 4 Ca 0.54 -1.79 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 1pdn s ARG 4 Cb -0.33 -0.69 -0.01 0.00 0.52 0.00 0.00 34.95 34.44 1pdn s ARG 4 CO 0.36 -0.16 -0.17 0.08 0.02 0.00 0.00 175.30 175.44 1pdn s VAL 5 N -3.40 2.70 0.76 3.52 1.01 -1.26 -0.94 120.40 122.79 1pdn s VAL 5 Ca 0.33 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1pdn s VAL 5 Cb 0.07 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.47 1pdn s VAL 5 CO 0.12 0.54 1.07 0.54 0.00 0.00 0.00 175.10 177.38 1pdn s ASN 6 N 0.24 4.31 0.40 3.32 2.20 0.05 -4.91 114.94 120.56 1pdn s ASN 6 Ca -0.12 0.17 0.15 0.00 -0.94 0.00 0.00 52.86 52.12 1pdn s ASN 6 Cb -0.16 -0.61 1.00 0.00 -2.00 0.00 0.00 41.25 39.48 1pdn s ASN 6 CO 0.06 -1.92 1.88 1.56 -2.94 0.00 0.00 177.10 175.74 1pdn h GLN 7 N -0.80 0.47 -0.00 3.55 4.20 -1.94 0.63 115.11 121.21 1pdn h GLN 7 Ca -0.42 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1pdn h GLN 7 Cb 1.28 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1pdn h GLN 7 CO 0.49 0.31 -0.00 1.28 -0.67 0.00 0.00 178.83 180.24 1pdn n LEU 8 N -4.52 0.49 0.00 1.46 4.77 -1.26 -4.89 117.00 113.06 1pdn n LEU 8 Ca 0.17 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1pdn n LEU 8 Cb 0.58 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1pdn n LEU 8 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1pdn n GLY 9 N 1.06 0.67 3.87 -0.72 0.00 0.21 -4.85 105.19 105.43 1pdn n GLY 9 Ca 0.22 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1pdn n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pdn s GLY 10 N -2.74 2.17 0.21 -0.02 0.00 -1.23 -4.85 107.32 100.86 1pdn s GLY 10 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 44.72 43.86 1pdn s GLY 10 CO 0.00 -0.32 0.79 0.14 0.00 0.00 0.00 173.10 173.70 1pdn s VAL 11 N -0.94 4.41 0.12 1.40 1.01 -1.26 -0.77 120.40 124.37 1pdn s VAL 11 Ca 0.15 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.46 1pdn s VAL 11 Cb -0.12 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1pdn s VAL 11 CO 0.04 0.35 0.63 0.72 0.00 0.00 0.00 175.10 176.83 1pdn s PHE 12 N -1.36 -0.55 -0.24 5.22 -0.71 -0.11 -4.96 117.98 115.27 1pdn s PHE 12 Ca 0.41 0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 56.71 1pdn s PHE 12 Cb -0.20 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1pdn s PHE 12 CO 0.24 -0.80 -0.02 0.42 -1.34 0.00 0.00 175.22 173.72 1pdn s ILE 13 N -3.30 3.39 0.12 -4.49 1.01 -1.26 -0.54 121.20 116.12 1pdn s ILE 13 Ca -0.01 -0.63 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 1pdn s ILE 13 Cb -0.01 -2.62 -0.09 0.00 0.01 0.00 0.00 42.46 39.75 1pdn s ILE 13 CO -0.09 0.32 1.60 0.21 0.00 0.00 0.00 174.94 176.98 1pdn s ASN 14 N 1.45 6.60 0.00 3.58 2.47 -1.26 -2.37 114.94 125.42 1pdn s ASN 14 Ca 0.04 2.55 0.00 0.00 0.42 0.00 0.00 52.86 55.87 1pdn s ASN 14 Cb -0.15 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1pdn s ASN 14 CO -0.02 -0.85 0.00 0.61 -3.72 0.00 0.00 177.10 173.12 1pdn n GLY 15 N 3.86 2.94 3.96 1.21 0.00 -1.26 -4.93 105.19 110.96 1pdn n GLY 15 Ca 0.15 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1pdn n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pdn s ARG 16 N 0.00 3.46 0.71 1.61 1.81 -1.00 -5.10 118.95 120.43 1pdn s ARG 16 Ca 0.00 -0.62 -0.11 0.00 -1.72 0.00 0.00 55.73 53.28 1pdn s ARG 16 Cb 0.00 -2.82 0.02 0.00 -0.45 0.00 0.00 34.95 31.70 1pdn s ARG 16 CO 0.00 0.34 1.06 -2.14 -0.68 0.00 0.00 175.30 173.89 1pdn s PRO 17 N -4.07 2.83 0.45 3.54 0.02 -1.26 -4.71 135.00 131.80 1pdn s PRO 17 Ca 0.36 0.97 -0.24 0.00 0.02 0.00 0.00 61.00 62.10 1pdn s PRO 17 Cb -0.09 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1pdn s PRO 17 CO 0.31 -1.18 1.28 -0.51 -0.33 0.00 0.00 177.00 176.58 1pdn s LEU 18 N -5.59 4.09 0.86 -5.54 1.43 -1.26 -4.86 118.68 107.81 1pdn s LEU 18 Ca 0.58 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 56.16 1pdn s LEU 18 Cb -0.14 -4.05 0.08 0.00 0.03 0.00 0.00 46.19 42.11 1pdn s LEU 18 CO 0.55 -1.01 0.98 -2.65 0.23 0.00 0.00 176.35 174.45 1pdn n PRO 19 N -0.24 -0.10 -0.20 1.29 -0.02 -1.26 -4.76 135.00 129.71 1pdn n PRO 19 Ca 0.06 0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 1pdn n PRO 19 Cb 0.45 -2.26 0.19 0.00 -0.02 0.00 0.00 33.50 31.85 1pdn n PRO 19 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1pdn h ASN 20 N -1.29 0.88 -0.99 2.55 -0.73 -2.00 -2.74 115.58 111.26 1pdn h ASN 20 Ca -0.45 -0.10 0.08 0.00 1.87 0.00 0.00 56.30 57.71 1pdn h ASN 20 Cb 1.29 -0.22 -0.07 0.00 0.27 0.00 0.00 38.32 39.59 1pdn h ASN 20 CO 0.42 0.75 0.64 -0.55 -0.37 0.00 0.00 177.43 178.32 1pdn h ASN 21 N 0.96 0.99 -0.12 1.15 -1.07 -1.99 0.45 115.58 115.94 1pdn h ASN 21 Ca 0.23 0.02 -0.10 0.00 0.07 0.00 0.00 56.30 56.52 1pdn h ASN 21 Cb 0.12 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.19 1pdn h ASN 21 CO -0.03 0.60 -0.33 0.40 0.07 0.00 0.00 177.43 178.14 1pdn h ILE 22 N 1.10 1.37 -0.42 6.14 2.04 -1.85 -2.33 117.51 123.56 1pdn h ILE 22 Ca 0.45 -1.63 0.04 0.00 1.00 0.00 0.00 64.86 64.72 1pdn h ILE 22 Cb 0.27 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1pdn h ILE 22 CO -0.20 0.48 0.19 0.03 0.00 0.00 0.00 178.15 178.66 1pdn h ARG 23 N 0.04 0.38 -1.00 2.37 3.08 -1.13 -0.66 114.38 117.45 1pdn h ARG 23 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1pdn h ARG 23 Cb 0.94 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 1pdn h ARG 23 CO 0.07 0.25 0.66 1.25 -1.07 0.00 0.00 179.97 181.13 1pdn h LEU 24 N 0.39 1.15 -0.72 3.04 5.85 -0.96 -2.47 115.31 121.59 1pdn h LEU 24 Ca 0.19 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 1pdn h LEU 24 Cb 0.13 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1pdn h LEU 24 CO -0.15 0.84 -0.33 0.11 -0.34 0.00 0.00 178.44 178.56 1pdn h LYS 25 N 1.36 0.60 -0.48 1.25 1.79 -0.70 -1.94 116.57 118.45 1pdn h LYS 25 Ca 0.37 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1pdn h LYS 25 Cb -0.15 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 1pdn h LYS 25 CO -0.08 0.86 0.30 0.82 -1.08 0.00 0.00 179.45 180.27 1pdn h ILE 26 N 0.51 1.14 -0.29 1.86 2.04 -0.71 -1.94 117.51 120.12 1pdn h ILE 26 Ca 0.06 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 1pdn h ILE 26 Cb 0.82 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1pdn h ILE 26 CO 0.07 0.14 -0.39 0.58 0.00 0.00 0.00 178.15 178.55 1pdn h VAL 27 N 0.65 1.29 -0.45 1.67 2.07 -1.38 -1.97 116.25 118.12 1pdn h VAL 27 Ca 0.17 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1pdn h VAL 27 Cb -0.04 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1pdn h VAL 27 CO -0.04 0.50 0.25 -0.33 0.02 0.00 0.00 177.57 177.98 1pdn h GLU 28 N 0.56 0.63 -0.63 1.57 5.08 -1.14 -1.17 114.58 119.48 1pdn h GLU 28 Ca 0.05 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1pdn h GLU 28 Cb 0.92 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1pdn h GLU 28 CO 0.08 0.49 0.20 0.52 -1.00 0.00 0.00 179.01 179.30 1pdn h MET 29 N 0.60 0.98 -0.85 2.33 2.86 -1.26 -1.97 114.93 117.61 1pdn h MET 29 Ca 0.16 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1pdn h MET 29 Cb 0.04 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1pdn h MET 29 CO -0.03 0.86 0.45 0.00 1.06 0.00 0.00 176.91 179.26 1pdn h ALA 30 N 1.07 1.10 0.00 6.32 0.00 -1.06 -0.22 119.26 126.46 1pdn h ALA 30 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pdn h ALA 30 Cb 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pdn h ALA 30 CO -0.01 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1pdn h ALA 31 N 1.24 1.21 -0.00 0.00 0.00 -0.84 -1.81 119.26 119.06 1pdn h ALA 31 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pdn h ALA 31 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pdn h ALA 31 CO -0.05 0.13 -0.04 -0.25 0.00 0.00 0.00 179.25 179.05 1pdn n ASP 32 N -3.52 0.46 0.00 0.00 8.00 -0.13 -4.90 116.55 116.46 1pdn n ASP 32 Ca -0.02 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1pdn n ASP 32 Cb 0.25 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1pdn n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pdn n GLY 33 N 1.15 0.69 3.73 0.44 0.00 -0.68 -5.04 105.19 105.49 1pdn n GLY 33 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1pdn n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pdn s ILE 34 N -2.01 3.98 0.40 -0.61 -1.09 -0.97 -5.00 121.20 115.91 1pdn s ILE 34 Ca 0.00 1.59 -0.25 0.00 -2.23 0.00 0.00 60.65 59.75 1pdn s ILE 34 Cb 0.00 -4.01 -0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1pdn s ILE 34 CO 0.00 0.21 1.20 -0.60 -1.23 0.00 0.00 174.94 174.52 1pdn s ARG 35 N 0.19 4.03 0.33 2.79 3.52 -1.26 -4.49 118.95 124.06 1pdn s ARG 35 Ca 0.53 1.90 0.09 0.00 -0.13 0.00 0.00 55.73 58.12 1pdn s ARG 35 Cb -0.29 -2.69 0.85 0.00 -1.56 0.00 0.00 34.95 31.27 1pdn s ARG 35 CO 0.33 -0.36 1.76 -1.35 -0.81 0.00 0.00 175.30 174.87 1pdn h PRO 36 N 2.63 0.62 -0.12 5.12 0.11 -1.98 0.12 132.00 138.51 1pdn h PRO 36 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1pdn h PRO 36 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1pdn h PRO 36 CO 0.62 0.41 -0.12 0.00 -0.21 0.00 0.00 178.00 178.70 1pdn h VAL 38 N 0.17 1.32 -0.78 0.00 2.07 -1.36 -2.53 116.25 115.15 1pdn h VAL 38 Ca 0.04 -2.19 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 1pdn h VAL 38 Cb 0.33 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1pdn h VAL 38 CO 0.02 0.67 0.37 0.40 0.02 0.00 0.00 177.57 179.05 1pdn h ILE 39 N 0.38 1.24 0.29 4.57 2.04 -0.88 0.10 117.51 125.26 1pdn h ILE 39 Ca -0.08 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1pdn h ILE 39 Cb 1.51 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1pdn h ILE 39 CO 0.17 0.29 -0.14 -1.28 0.00 0.00 0.00 178.15 177.19 1pdn h SER 40 N 1.11 -0.33 0.30 1.72 0.87 -1.06 -0.49 113.55 115.68 1pdn h SER 40 Ca 0.27 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1pdn h SER 40 Cb 0.12 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1pdn h SER 40 CO -0.03 -0.21 -0.58 0.03 -0.53 0.00 0.00 176.83 175.51 1pdn h ARG 41 N -0.42 0.28 0.43 2.24 3.08 -1.22 0.41 114.38 119.18 1pdn h ARG 41 Ca -0.04 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1pdn h ARG 41 Cb 0.32 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1pdn h ARG 41 CO 0.06 0.78 -0.21 0.37 -1.07 0.00 0.00 179.97 179.91 1pdn h GLN 42 N 0.21 -0.55 0.00 0.04 5.75 -0.73 -3.30 115.11 116.53 1pdn h GLN 42 Ca -0.00 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1pdn h GLN 42 Cb 1.07 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1pdn h GLN 42 CO 0.09 -0.25 -0.08 -0.07 -2.65 0.00 0.00 178.83 175.87 1pdn h LEU 43 N -1.00 0.00 -0.67 -2.39 3.38 -1.16 -3.48 115.31 109.99 1pdn h LEU 43 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1pdn h LEU 43 Cb 0.56 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.35 1pdn h LEU 43 CO 0.10 0.08 -0.25 0.54 0.09 0.00 0.00 178.44 178.99 1pdn n ARG 44 N -3.13 -2.75 -4.23 1.13 1.74 0.14 -4.86 116.66 104.71 1pdn n ARG 44 Ca 0.03 0.33 -0.33 0.00 -0.77 0.00 0.00 57.85 57.11 1pdn n ARG 44 Cb 0.54 -3.87 -0.08 0.00 -1.02 0.00 0.00 32.46 28.02 1pdn n ARG 44 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pdn s VAL 45 N -3.03 4.32 0.38 1.55 1.01 -0.95 -3.56 120.40 120.12 1pdn s VAL 45 Ca 0.20 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1pdn s VAL 45 Cb -0.09 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.24 1pdn s VAL 45 CO 0.24 0.37 1.48 -0.94 0.00 0.00 0.00 175.10 176.26 1pdn s SER 46 N -1.59 6.34 0.57 3.32 1.04 -1.26 -4.59 113.70 117.53 1pdn s SER 46 Ca 0.20 3.05 0.27 0.00 0.48 0.00 0.00 55.95 59.95 1pdn s SER 46 Cb -0.12 -2.67 1.67 0.00 0.10 0.00 0.00 66.02 65.01 1pdn s SER 46 CO 0.11 -0.87 2.22 1.12 0.98 0.00 0.00 173.24 176.79 1pdn h HIS 47 N 3.00 0.00 -0.31 5.02 2.07 -1.94 -0.40 115.15 122.59 1pdn h HIS 47 Ca -0.51 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.93 1pdn h HIS 47 Cb 1.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.20 1pdn h HIS 47 CO 0.53 0.02 -0.14 0.78 -3.07 0.00 0.00 177.93 176.05 1pdn h GLY 48 N 0.08 0.58 0.83 6.13 0.00 -2.00 -0.72 103.07 107.98 1pdn h GLY 48 Ca -0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1pdn h GLY 48 CO 0.00 0.38 -0.53 0.00 0.00 0.00 0.00 176.54 176.40 1pdn h VAL 50 N 0.02 1.00 -0.23 0.00 2.07 -1.18 -1.20 116.25 116.73 1pdn h VAL 50 Ca -0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1pdn h VAL 50 Cb 1.19 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1pdn h VAL 50 CO 0.11 0.13 0.15 -1.28 0.02 0.00 0.00 177.57 176.70 1pdn h SER 51 N 0.73 0.25 0.17 0.57 0.87 -1.13 -1.23 113.55 113.79 1pdn h SER 51 Ca 0.30 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1pdn h SER 51 Cb 0.15 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1pdn h SER 51 CO -0.16 0.18 -0.12 0.50 -0.53 0.00 0.00 176.83 176.70 1pdn h LYS 52 N 0.30 -0.29 -0.43 2.24 3.64 -0.95 0.92 116.57 122.02 1pdn h LYS 52 Ca 0.09 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1pdn h LYS 52 Cb -0.03 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1pdn h LYS 52 CO -0.02 -0.19 0.17 0.82 -2.27 0.00 0.00 179.45 177.96 1pdn h ILE 53 N -0.30 1.16 -0.18 2.00 2.04 -1.18 -0.80 117.51 120.26 1pdn h ILE 53 Ca -0.01 -0.50 -0.16 0.00 1.00 0.00 0.00 64.86 65.20 1pdn h ILE 53 Cb 0.26 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1pdn h ILE 53 CO -0.00 0.19 -0.49 -0.07 0.00 0.00 0.00 178.15 177.78 1pdn h LEU 54 N 0.60 0.75 -0.91 1.44 4.07 -0.78 -1.83 115.31 118.65 1pdn h LEU 54 Ca 0.15 -0.58 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 1pdn h LEU 54 Cb 0.12 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1pdn h LEU 54 CO -0.02 1.20 -0.27 -1.13 -1.08 0.00 0.00 178.44 177.14 1pdn h ASN 55 N 0.34 0.50 0.33 -0.43 -1.24 -0.58 -2.72 115.58 111.77 1pdn h ASN 55 Ca -0.01 -0.17 -0.15 0.00 0.71 0.00 0.00 56.30 56.67 1pdn h ASN 55 Cb 1.11 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 1pdn h ASN 55 CO 0.11 0.75 -0.62 -0.09 -1.29 0.00 0.00 177.43 176.29 1pdn h ARG 56 N 0.43 0.29 -0.02 6.67 2.43 -1.11 -1.92 114.38 121.15 1pdn h ARG 56 Ca 0.06 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1pdn h ARG 56 Cb 0.69 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1pdn h ARG 56 CO 0.05 0.82 -0.42 -0.92 -1.51 0.00 0.00 179.97 177.99 1pdn h TYR 57 N 0.21 0.04 -0.08 2.20 3.20 -1.10 0.26 116.97 121.70 1pdn h TYR 57 Ca -0.01 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 1pdn h TYR 57 Cb 1.14 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.41 1pdn h TYR 57 CO 0.03 0.44 -0.56 1.96 -1.64 0.00 0.00 178.16 178.39 1pdn h GLN 58 N 0.03 0.52 0.30 1.82 1.08 -1.18 0.51 115.11 118.18 1pdn h GLN 58 Ca -0.00 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 1pdn h GLN 58 Cb 0.75 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1pdn h GLN 58 CO 0.06 1.09 -0.15 0.93 -0.95 0.00 0.00 178.83 179.81 1pdn h GLU 59 N 0.10 -0.39 0.00 1.46 5.08 -1.19 -3.37 114.58 116.26 1pdn h GLU 59 Ca -0.05 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1pdn h GLU 59 Cb 1.22 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1pdn h GLU 59 CO 0.11 -0.15 -0.78 1.79 -1.00 0.00 0.00 179.01 178.98 1pdn h THR 60 N -1.05 0.21 -0.40 1.13 1.35 -1.11 -3.48 112.91 109.57 1pdn h THR 60 Ca -0.04 -1.35 -0.13 0.00 -0.55 0.00 0.00 66.41 64.34 1pdn h THR 60 Cb 0.43 1.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1pdn h THR 60 CO 0.07 0.12 -0.12 0.61 -0.25 0.00 0.00 175.52 175.94 1pdn n GLY 61 N 1.21 0.73 3.10 5.82 0.00 0.17 -5.01 105.19 111.21 1pdn n GLY 61 Ca -0.01 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1pdn n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pdn s SER 62 N -2.90 1.24 0.03 1.61 0.15 -1.25 -5.01 113.70 107.56 1pdn s SER 62 Ca 0.00 -0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.04 1pdn s SER 62 Cb 0.00 -0.03 -0.31 0.00 -1.71 0.00 0.00 66.02 63.97 1pdn s SER 62 CO 0.00 -0.10 0.97 0.40 1.20 0.00 0.00 173.24 175.71 1pdn h ILE 63 N 4.48 1.28 -3.14 6.45 1.08 -1.93 -3.35 117.51 122.37 1pdn h ILE 63 Ca -0.37 -2.81 -0.58 0.00 -0.39 0.00 0.00 64.86 60.71 1pdn h ILE 63 Cb 1.19 2.92 0.12 0.00 -3.07 0.00 0.00 36.82 37.99 1pdn h ILE 63 CO 0.42 0.84 0.29 -1.14 -0.69 0.00 0.00 178.15 177.87 1pdn n ARG 64 N -3.59 1.60 -1.65 2.37 0.63 -1.26 -4.97 116.66 109.80 1pdn n ARG 64 Ca -0.15 0.57 -0.29 0.00 -0.92 0.00 0.00 57.85 57.06 1pdn n ARG 64 Cb 1.07 -2.14 0.12 0.00 0.45 0.00 0.00 32.46 31.95 1pdn n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1pdn s PRO 65 N -1.99 1.51 1.08 -0.14 0.04 -1.26 -5.04 135.00 129.20 1pdn s PRO 65 Ca 0.61 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 1pdn s PRO 65 Cb -0.56 -1.88 0.24 0.00 0.04 0.00 0.00 34.50 32.33 1pdn s PRO 65 CO 0.58 -1.94 1.06 0.20 0.04 0.00 0.00 177.00 176.94 1pdn s GLY 66 N -4.17 1.58 -0.24 0.56 0.00 -1.26 -4.93 107.32 98.86 1pdn s GLY 66 Ca 0.63 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.09 1pdn s GLY 66 CO 0.52 0.65 1.02 0.14 0.00 0.00 0.00 173.10 175.44 1pdn s VAL 67 N -2.57 4.68 -0.01 1.40 1.01 -1.26 -5.03 120.40 118.62 1pdn s VAL 67 Ca 0.67 1.97 -0.03 0.00 0.00 0.00 0.00 61.98 64.60 1pdn s VAL 67 Cb -0.24 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1pdn s VAL 67 CO 0.62 -0.19 0.17 -0.63 0.00 0.00 0.00 175.10 175.07 1pdn s ILE 68 N 3.20 5.36 0.36 2.22 1.01 -1.26 -5.02 121.20 127.06 1pdn s ILE 68 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1pdn s ILE 68 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1pdn s ILE 68 CO 0.07 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1pdn n GLY 69 N 1.01 -2.75 0.00 6.18 0.00 -1.26 -5.09 105.19 103.28 1pdn n GLY 69 Ca -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1pdn n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdn n GLY 70 N -3.60 2.20 3.50 -0.02 0.00 -1.26 -5.04 105.19 100.97 1pdn n GLY 70 Ca -0.04 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 1pdn n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pdn s SER 71 N 0.00 4.46 0.27 1.61 0.01 -1.26 -5.08 113.70 113.71 1pdn s SER 71 Ca 0.00 -0.14 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 1pdn s SER 71 Cb 0.00 -1.38 -0.12 0.00 0.21 0.00 0.00 66.02 64.73 1pdn s SER 71 CO 0.00 0.27 1.56 0.29 0.41 0.00 0.00 173.24 175.77 1pdn n LYS 72 N 2.85 2.53 -1.68 12.44 4.76 -1.26 -4.84 118.16 132.96 1pdn n LYS 72 Ca -0.18 0.90 -0.48 0.00 -2.87 0.00 0.00 58.31 55.68 1pdn n LYS 72 Cb 0.53 -2.66 -0.05 0.00 -1.84 0.00 0.00 35.03 31.01 1pdn n LYS 72 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1pdn n PRO 73 N 2.31 2.20 -3.39 1.97 -0.03 -1.26 -4.92 135.00 131.87 1pdn n PRO 73 Ca 0.10 0.81 -0.45 0.00 -0.03 0.00 0.00 63.50 63.93 1pdn n PRO 73 Cb 0.35 -2.65 -0.03 0.00 -0.03 0.00 0.00 33.50 31.14 1pdn n PRO 73 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 175.50 176.50 1pdn s ARG 74 N 3.95 3.59 0.09 -0.52 0.52 -1.26 -4.82 118.95 120.50 1pdn s ARG 74 Ca 0.92 -2.68 -0.09 0.00 -0.52 0.00 0.00 55.73 53.36 1pdn s ARG 74 Cb -0.68 -4.35 -0.21 0.00 0.52 0.00 0.00 34.95 30.23 1pdn s ARG 74 CO 0.51 -1.26 1.20 -0.84 0.02 0.00 0.00 175.30 174.92 1pdn h ILE 75 N 4.56 1.36 -2.62 1.52 -0.00 -2.03 -3.27 117.51 117.03 1pdn h ILE 75 Ca 0.11 -2.52 -0.79 0.00 -0.00 0.00 0.00 64.86 61.66 1pdn h ILE 75 Cb 0.98 2.59 -0.29 0.00 -0.00 0.00 0.00 36.82 40.10 1pdn h ILE 75 CO 0.81 0.76 0.75 0.00 -0.00 0.00 0.00 178.15 180.46 1pdn n ALA 76 N -2.60 5.42 -1.97 0.16 0.00 -1.26 -5.02 120.51 115.24 1pdn n ALA 76 Ca -0.10 -4.74 -0.31 0.00 0.00 0.00 0.00 53.44 48.29 1pdn n ALA 76 Cb 0.92 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1pdn n ALA 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pdn s THR 77 N -3.39 4.64 0.00 0.00 2.01 -1.23 -4.59 115.64 113.09 1pdn s THR 77 Ca 0.35 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1pdn s THR 77 Cb 0.11 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1pdn s THR 77 CO 0.01 -0.68 0.00 -2.65 -0.69 0.00 0.00 174.62 170.61 1pdn n PRO 78 N -1.62 0.00 0.00 4.92 -0.02 -1.26 -4.65 135.00 132.37 1pdn n PRO 78 Ca 0.05 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.68 1pdn n PRO 78 Cb 0.54 0.00 0.81 0.00 -0.02 0.00 0.00 33.50 34.83 1pdn n PRO 78 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1pdn n GLU 79 N -0.21 0.64 -0.24 -0.52 0.28 -1.26 -3.40 120.64 115.92 1pdn n GLU 79 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1pdn n GLU 79 Cb 0.00 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 31.46 1pdn n GLU 79 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1pdn h ILE 80 N 0.00 1.01 -0.93 3.84 2.04 -1.93 -1.13 117.51 120.42 1pdn h ILE 80 Ca 0.00 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.70 1pdn h ILE 80 Cb 0.17 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.36 1pdn h ILE 80 CO 0.00 0.14 0.57 -0.33 0.00 0.00 0.00 178.15 178.52 1pdn h GLU 81 N 0.75 0.91 -0.34 2.37 5.08 -1.80 0.13 114.58 121.67 1pdn h GLU 81 Ca 0.30 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1pdn h GLU 81 Cb 0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1pdn h GLU 81 CO -0.16 0.60 -0.08 -0.97 -1.00 0.00 0.00 179.01 177.41 1pdn h ASN 82 N 0.94 0.55 0.12 1.42 -0.73 -1.46 -2.06 115.58 114.36 1pdn h ASN 82 Ca 0.45 -0.13 -0.15 0.00 1.87 0.00 0.00 56.30 58.33 1pdn h ASN 82 Cb 0.39 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1pdn h ASN 82 CO -0.24 0.67 -0.54 -0.09 -0.37 0.00 0.00 177.43 176.86 1pdn h ARG 83 N 0.53 0.45 -0.43 6.67 9.65 0.02 -1.52 114.38 129.76 1pdn h ARG 83 Ca 0.10 -0.28 -0.09 0.00 -1.10 0.00 0.00 59.98 58.62 1pdn h ARG 83 Cb 0.46 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1pdn h ARG 83 CO 0.02 0.87 -0.11 0.82 2.80 0.00 0.00 179.97 184.38 1pdn h ILE 84 N 0.35 1.26 -0.10 1.20 2.04 -0.50 -2.47 117.51 119.29 1pdn h ILE 84 Ca 0.01 -1.16 -0.17 0.00 1.00 0.00 0.00 64.86 64.54 1pdn h ILE 84 Cb 1.06 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1pdn h ILE 84 CO 0.10 0.39 -0.66 1.05 0.00 0.00 0.00 178.15 179.03 1pdn h GLU 85 N 0.69 0.39 0.00 2.37 -0.00 -1.20 -2.82 114.58 114.00 1pdn h GLU 85 Ca 0.12 -0.29 -0.00 0.00 -0.00 0.00 0.00 59.36 59.19 1pdn h GLU 85 Cb 0.58 0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.38 1pdn h GLU 85 CO 0.04 0.91 -0.00 1.49 -0.00 0.00 0.00 179.01 181.45 1pdn h GLU 86 N 0.28 0.00 -1.50 1.06 4.81 -0.86 -2.37 114.58 116.00 1pdn h GLU 86 Ca -0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1pdn h GLU 86 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1pdn h GLU 86 CO 0.11 0.00 0.07 0.66 -0.73 0.00 0.00 179.01 179.12 1pdn n TYR 87 N -3.11 0.28 1.48 0.92 0.53 -0.97 -4.01 117.16 112.29 1pdn n TYR 87 Ca -0.02 -0.93 0.15 0.00 -1.02 0.00 0.00 57.90 56.08 1pdn n TYR 87 Cb 0.13 -0.46 0.74 0.00 -1.03 0.00 0.00 39.34 38.72 1pdn n TYR 87 CO 0.00 0.00 0.00 0.36 -1.02 0.00 0.00 176.86 176.20 1pdn n LYS 88 N 0.86 0.55 0.03 -0.72 2.85 -0.89 -2.53 118.16 118.31 1pdn n LYS 88 Ca 0.05 -0.06 -0.13 0.00 -1.05 0.00 0.00 58.31 57.12 1pdn n LYS 88 Cb 0.56 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.30 1pdn n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pdn h ARG 89 N 0.14 0.13 0.08 -1.58 3.08 -1.88 -3.34 114.38 111.02 1pdn h ARG 89 Ca 0.00 -0.23 -0.28 0.00 0.07 0.00 0.00 59.98 59.54 1pdn h ARG 89 Cb 0.27 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1pdn h ARG 89 CO 0.00 0.90 -1.44 0.66 -1.07 0.00 0.00 179.97 179.02 1pdn h SER 90 N 0.04 0.26 0.00 7.04 4.64 -1.89 -3.45 113.55 120.18 1pdn h SER 90 Ca -0.25 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1pdn h SER 90 Cb 1.99 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1pdn h SER 90 CO 0.12 1.30 0.00 -1.20 -0.87 0.00 0.00 176.83 176.18 1pdn n SER 91 N -3.38 0.00 -4.69 4.97 7.64 -1.05 -4.12 113.62 112.99 1pdn n SER 91 Ca -0.13 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 1pdn n SER 91 Cb 1.02 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 1pdn n SER 91 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1pdn s PRO 92 N 0.00 4.22 0.00 1.43 0.02 -1.26 -2.08 135.00 137.33 1pdn s PRO 92 Ca 0.00 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1pdn s PRO 92 Cb 0.00 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1pdn s PRO 92 CO 0.00 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1pdn n GLY 93 N 3.86 3.20 3.55 0.52 0.00 -1.26 -4.98 105.19 110.09 1pdn n GLY 93 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1pdn n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pdn s MET 94 N -0.49 2.67 0.87 1.61 0.00 -0.89 -4.95 119.30 118.13 1pdn s MET 94 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 55.69 56.16 1pdn s MET 94 Cb 0.00 -4.37 0.12 0.00 0.00 0.00 0.00 34.83 30.58 1pdn s MET 94 CO 0.00 -2.69 1.13 -0.06 0.00 0.00 0.00 175.02 173.40 1pdn s PHE 95 N 8.86 1.90 0.09 4.11 0.40 -1.26 -4.88 117.98 127.20 1pdn s PHE 95 Ca 0.65 1.72 -0.21 0.00 -0.60 0.00 0.00 56.93 58.50 1pdn s PHE 95 Cb -0.12 -3.25 -0.10 0.00 0.51 0.00 0.00 43.02 40.05 1pdn s PHE 95 CO 0.21 -2.52 1.62 1.03 0.70 0.00 0.00 175.22 176.26 1pdn h SER 96 N -1.66 0.23 0.07 1.36 0.87 -1.92 -2.22 113.55 110.28 1pdn h SER 96 Ca -0.43 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 59.90 1pdn h SER 96 Cb 1.26 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1pdn h SER 96 CO 0.45 0.33 -0.21 4.11 -0.53 0.00 0.00 176.83 180.98 1pdn h TRP 97 N 0.12 0.28 -0.75 2.24 5.08 -1.92 -2.58 115.95 118.40 1pdn h TRP 97 Ca 0.06 -0.04 -0.05 0.00 1.08 0.00 0.00 58.89 59.94 1pdn h TRP 97 Cb 0.17 -0.07 -0.03 0.00 -3.00 0.00 0.00 29.16 26.23 1pdn h TRP 97 CO -0.01 0.45 0.29 0.93 -1.28 0.00 0.00 178.44 178.82 1pdn h GLU 98 N 0.24 1.13 -0.43 0.12 5.08 -1.84 -2.65 114.58 116.23 1pdn h GLU 98 Ca 0.04 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1pdn h GLU 98 Cb 0.50 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1pdn h GLU 98 CO 0.03 0.93 0.26 0.82 -1.00 0.00 0.00 179.01 180.06 1pdn h ILE 99 N 1.09 1.06 -0.97 3.13 2.04 -1.01 -1.96 117.51 120.89 1pdn h ILE 99 Ca 0.25 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 66.00 1pdn h ILE 99 Cb 0.23 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1pdn h ILE 99 CO -0.02 0.10 0.63 -0.09 0.00 0.00 0.00 178.15 178.77 1pdn h ARG 100 N 0.53 1.08 -0.33 2.37 2.43 -1.32 -1.27 114.38 117.87 1pdn h ARG 100 Ca 0.17 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1pdn h ARG 100 Cb -0.01 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1pdn h ARG 100 CO -0.07 0.71 -0.41 0.93 -1.51 0.00 0.00 179.97 179.63 1pdn h GLU 101 N 1.11 0.86 0.00 0.20 4.39 -1.12 -3.05 114.58 116.97 1pdn h GLU 101 Ca 0.43 -0.48 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1pdn h GLU 101 Cb 0.21 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1pdn h GLU 101 CO -0.17 1.12 -0.27 -0.22 -1.16 0.00 0.00 179.01 178.31 1pdn h LYS 102 N 0.65 0.00 0.00 2.33 3.64 -0.82 -2.46 116.57 119.91 1pdn h LYS 102 Ca 0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1pdn h LYS 102 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1pdn h LYS 102 CO 0.10 0.27 -0.47 1.25 -2.27 0.00 0.00 179.45 178.33 1pdn h LEU 103 N 0.00 0.00 0.02 5.20 5.85 -1.15 -2.82 115.31 122.41 1pdn h LEU 103 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pdn h LEU 103 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1pdn h LEU 103 CO 0.04 0.47 -0.01 0.40 -0.34 0.00 0.00 178.44 178.99 1pdn h ILE 104 N 0.00 1.14 0.00 4.05 2.04 -1.35 -1.47 117.51 121.92 1pdn h ILE 104 Ca -0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1pdn h ILE 104 Cb 0.87 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1pdn h ILE 104 CO 0.06 0.37 0.00 -2.11 0.00 0.00 0.00 178.15 176.48 1pdn n ARG 105 N -4.70 0.07 0.09 2.37 1.85 -1.08 -2.45 116.66 112.81 1pdn n ARG 105 Ca -0.07 0.28 0.01 0.00 -1.00 0.00 0.00 57.85 57.07 1pdn n ARG 105 Cb 0.31 -1.62 -0.03 0.00 -1.05 0.00 0.00 32.46 30.07 1pdn n ARG 105 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1pdn h GLU 106 N 0.00 0.00 0.00 2.89 5.08 -1.64 -3.48 114.58 117.43 1pdn h GLU 106 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pdn h GLU 106 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1pdn h GLU 106 CO 0.00 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.87 1pdn n GLY 107 N 1.30 2.66 0.29 -3.84 0.00 -1.02 -4.97 105.19 99.60 1pdn n GLY 107 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1pdn n GLY 107 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pdn h VAL 108 N 0.00 1.16 -3.74 1.61 3.04 -1.81 -3.45 116.25 113.07 1pdn h VAL 108 Ca 0.00 -0.55 -0.39 0.00 -1.01 0.00 0.00 66.70 64.75 1pdn h VAL 108 Cb 0.00 0.78 -0.19 0.00 -2.01 0.00 0.00 31.29 29.86 1pdn h VAL 108 CO 0.00 0.20 -0.76 0.00 -1.01 0.00 0.00 177.57 176.00 1pdn s ASP 110 N -2.20 5.69 0.18 0.00 -1.08 -1.26 -4.26 116.67 113.74 1pdn s ASP 110 Ca 0.04 -0.25 -0.08 0.00 -0.52 0.00 0.00 52.55 51.75 1pdn s ASP 110 Cb -0.06 -0.90 0.08 0.00 -1.46 0.00 0.00 42.92 40.58 1pdn s ASP 110 CO 0.02 -0.73 1.58 0.03 0.52 0.00 0.00 175.17 176.58 1pdn h ARG 111 N 0.60 0.90 -0.03 4.34 2.47 -1.98 -2.83 114.38 117.84 1pdn h ARG 111 Ca -0.42 -0.38 -0.21 0.00 -1.26 0.00 0.00 59.98 57.71 1pdn h ARG 111 Cb 1.27 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1pdn h ARG 111 CO 0.49 1.03 -0.85 1.03 0.56 0.00 0.00 179.97 182.24 1pdn h SER 112 N 0.77 0.49 -0.89 7.04 0.87 -2.05 -3.30 113.55 116.48 1pdn h SER 112 Ca 0.10 -0.37 -0.51 0.00 -1.23 0.00 0.00 61.79 59.79 1pdn h SER 112 Cb 0.79 -0.15 -0.28 0.00 -0.44 0.00 0.00 62.40 62.32 1pdn h SER 112 CO 0.07 1.14 0.54 0.35 -0.53 0.00 0.00 176.83 178.39 1pdn n THR 113 N -3.78 3.19 -3.44 2.23 -2.24 -1.20 -4.99 114.28 104.05 1pdn n THR 113 Ca -0.05 -2.39 -0.38 0.00 -2.27 0.00 0.00 64.05 58.96 1pdn n THR 113 Cb 0.78 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 1pdn n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pdn s ALA 114 N -3.44 3.61 0.47 6.98 0.00 -1.07 -4.58 121.76 123.74 1pdn s ALA 114 Ca 0.57 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.06 1pdn s ALA 114 Cb 0.47 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 1pdn s ALA 114 CO 0.06 0.27 1.20 -2.14 0.00 0.00 0.00 175.76 175.15 1pdn s PRO 115 N -0.32 3.66 0.61 0.00 0.02 -1.26 -5.00 135.00 132.71 1pdn s PRO 115 Ca 0.23 1.86 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 1pdn s PRO 115 Cb -0.16 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.95 1pdn s PRO 115 CO 0.11 -0.66 1.13 -1.54 -0.33 0.00 0.00 177.00 175.72 1pdn s SER 116 N -1.28 5.32 0.52 2.53 1.04 -1.26 -4.86 113.70 115.71 1pdn s SER 116 Ca 0.65 2.12 0.19 0.00 0.48 0.00 0.00 55.95 59.39 1pdn s SER 116 Cb -0.31 -2.57 1.33 0.00 0.10 0.00 0.00 66.02 64.57 1pdn s SER 116 CO 0.37 -1.49 2.13 -0.37 0.98 0.00 0.00 173.24 174.85 1pdn h VAL 117 N 0.56 0.90 -0.24 5.02 -1.51 -1.94 -1.13 116.25 117.91 1pdn h VAL 117 Ca -0.48 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 64.74 1pdn h VAL 117 Cb 1.26 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1pdn h VAL 117 CO 0.55 0.06 -0.03 -1.28 -1.23 0.00 0.00 177.57 175.64 1pdn h SER 118 N 0.00 0.45 -0.85 4.19 0.87 -1.95 -0.66 113.55 115.59 1pdn h SER 118 Ca -0.00 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 1pdn h SER 118 Cb 0.11 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1pdn h SER 118 CO 0.01 0.68 0.43 0.00 -0.53 0.00 0.00 176.83 177.41 1pdn h ALA 119 N 0.78 1.15 -0.29 6.23 0.00 -1.64 -1.41 119.26 124.09 1pdn h ALA 119 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1pdn h ALA 119 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1pdn h ALA 119 CO 0.02 0.66 -0.15 0.82 0.00 0.00 0.00 179.25 180.60 1pdn h ILE 120 N 1.21 1.24 -0.74 0.00 2.04 -1.04 -0.55 117.51 119.67 1pdn h ILE 120 Ca 0.30 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 1pdn h ILE 120 Cb 0.09 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1pdn h ILE 120 CO -0.04 0.35 0.24 0.28 0.00 0.00 0.00 178.15 178.97 1pdn h SER 121 N 0.46 1.07 -0.48 1.72 0.02 -0.22 0.23 113.55 116.34 1pdn h SER 121 Ca 0.08 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1pdn h SER 121 Cb 0.53 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1pdn h SER 121 CO 0.03 0.99 -0.04 0.03 -1.14 0.00 0.00 176.83 176.70 1pdn h ARG 122 N 1.09 0.93 0.00 3.45 -0.00 -0.55 -2.84 114.38 116.47 1pdn h ARG 122 Ca 0.24 -0.29 -0.17 0.00 -0.50 0.00 0.00 59.98 59.26 1pdn h ARG 122 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.16 1pdn h ARG 122 CO -0.01 0.95 -0.80 -0.07 0.00 0.00 0.00 179.97 180.04 1pdn h LEU 123 N 0.85 0.00 -1.26 3.04 -0.00 -0.74 -3.51 115.31 113.69 1pdn h LEU 123 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1pdn h LEU 123 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1pdn h LEU 123 CO 0.03 0.80 0.00 1.33 -0.00 0.00 0.00 178.44 180.60