#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1plc s ASP 2 N 0.00 6.28 -0.10 9.51 1.01 -1.26 -0.01 116.67 132.09 1plc s ASP 2 Ca 0.00 0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.60 1plc s ASP 2 Cb 0.00 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1plc s ASP 2 CO 0.00 0.24 -0.15 -0.69 0.21 0.00 0.00 175.17 174.78 1plc s VAL 3 N -0.04 1.45 0.08 -1.27 1.01 -0.12 -4.60 120.40 116.91 1plc s VAL 3 Ca 0.11 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 1plc s VAL 3 Cb -0.11 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 1plc s VAL 3 CO 0.00 0.43 0.79 -0.76 0.00 0.00 0.00 175.10 175.57 1plc s LEU 4 N 0.98 4.48 -0.58 3.92 1.43 -0.05 -0.07 118.68 128.79 1plc s LEU 4 Ca -0.07 1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 54.40 1plc s LEU 4 Cb -0.15 -3.29 0.13 0.00 0.03 0.00 0.00 46.19 42.92 1plc s LEU 4 CO -0.01 0.04 0.57 -0.76 0.23 0.00 0.00 176.35 176.42 1plc s LEU 5 N -0.26 6.10 0.00 1.79 1.43 0.63 -1.25 118.68 127.12 1plc s LEU 5 Ca 0.39 -1.82 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1plc s LEU 5 Cb -0.21 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1plc s LEU 5 CO 0.24 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1plc n GLY 6 N 5.13 0.72 3.87 -3.19 0.00 0.08 -0.65 105.19 111.15 1plc n GLY 6 Ca -0.10 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1plc n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1plc s ALA 7 N -0.40 2.82 -0.48 4.61 0.00 -0.25 -3.95 121.76 124.11 1plc s ALA 7 Ca 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 51.96 51.85 1plc s ALA 7 Cb 0.00 -3.05 0.89 0.00 0.00 0.00 0.00 23.12 20.96 1plc s ALA 7 CO 0.00 -1.19 1.56 -0.25 0.00 0.00 0.00 175.76 175.88 1plc n ASP 8 N -3.05 0.46 -1.21 0.00 8.00 -1.26 -0.98 116.55 118.50 1plc n ASP 8 Ca 0.07 0.67 0.11 0.00 0.71 0.00 0.00 54.79 56.35 1plc n ASP 8 Cb 0.57 -0.75 0.28 0.00 -0.02 0.00 0.00 41.12 41.20 1plc n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1plc n ASP 9 N -2.07 3.71 0.00 -2.24 5.68 -1.26 -4.95 116.55 115.42 1plc n ASP 9 Ca 0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1plc n ASP 9 Cb 0.10 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1plc n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1plc n GLY 10 N 1.47 0.80 3.77 6.12 0.00 -0.16 -5.06 105.19 112.13 1plc n GLY 10 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1plc n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1plc s SER 11 N -2.94 6.14 -1.19 1.61 0.01 -1.25 -4.70 113.70 111.38 1plc s SER 11 Ca 0.00 2.72 -0.15 0.00 1.31 0.00 0.00 55.95 59.84 1plc s SER 11 Cb 0.00 -2.64 0.16 0.00 0.21 0.00 0.00 66.02 63.75 1plc s SER 11 CO 0.00 -0.97 1.44 -0.76 0.41 0.00 0.00 173.24 173.35 1plc s LEU 12 N -2.57 4.93 0.05 2.44 1.43 -1.26 -1.09 118.68 122.60 1plc s LEU 12 Ca 0.59 -2.85 -0.11 0.00 -1.03 0.00 0.00 54.13 50.72 1plc s LEU 12 Cb -0.39 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.42 1plc s LEU 12 CO 0.51 -0.82 0.24 0.00 0.23 0.00 0.00 176.35 176.51 1plc s ALA 13 N 1.94 -0.49 0.01 4.21 0.00 -1.26 -3.71 121.76 122.46 1plc s ALA 13 Ca 0.43 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 1plc s ALA 13 Cb -0.02 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 1plc s ALA 13 CO -0.00 -0.41 0.73 -0.06 0.00 0.00 0.00 175.76 176.02 1plc s PHE 14 N -2.75 3.69 -0.28 0.00 0.08 -1.26 -0.74 117.98 116.71 1plc s PHE 14 Ca -0.04 1.39 0.02 0.00 0.12 0.00 0.00 56.93 58.42 1plc s PHE 14 Cb -0.00 -2.79 0.08 0.00 -0.57 0.00 0.00 43.02 39.73 1plc s PHE 14 CO -0.05 0.23 -0.01 0.08 -0.10 0.00 0.00 175.22 175.38 1plc s VAL 15 N 0.15 1.81 0.74 -0.44 1.01 -0.38 -2.76 120.40 120.54 1plc s VAL 15 Ca 0.38 -1.70 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 1plc s VAL 15 Cb -0.20 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1plc s VAL 15 CO 0.21 -0.33 1.09 -2.16 0.00 0.00 0.00 175.10 173.91 1plc s PRO 16 N 1.20 2.55 -0.06 2.72 0.04 -1.26 -0.87 135.00 139.32 1plc s PRO 16 Ca 0.01 0.64 0.17 0.00 0.04 0.00 0.00 61.00 61.86 1plc s PRO 16 Cb -0.19 -1.97 -0.25 0.00 0.04 0.00 0.00 34.50 32.12 1plc s PRO 16 CO -0.09 -1.29 0.30 -1.13 0.04 0.00 0.00 177.00 174.83 1plc n SER 17 N -3.21 0.97 -3.91 6.66 3.41 -1.11 -4.85 113.62 111.58 1plc n SER 17 Ca 0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.43 1plc n SER 17 Cb 0.56 1.57 -0.17 0.00 -0.26 0.00 0.00 64.21 65.91 1plc n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1plc s GLU 18 N -3.00 1.36 0.23 4.33 2.02 -1.26 -0.80 118.70 121.57 1plc s GLU 18 Ca -0.07 -0.22 -0.16 0.00 0.02 0.00 0.00 54.97 54.54 1plc s GLU 18 Cb 0.10 -1.37 0.01 0.00 0.10 0.00 0.00 34.13 32.97 1plc s GLU 18 CO 0.72 -0.18 0.54 -0.59 0.02 0.00 0.00 175.26 175.77 1plc s PHE 19 N 1.41 0.06 0.14 1.61 -0.71 -1.04 -5.01 117.98 114.44 1plc s PHE 19 Ca -0.01 -0.44 0.08 0.00 -1.04 0.00 0.00 56.93 55.52 1plc s PHE 19 Cb -0.13 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1plc s PHE 19 CO -0.04 -1.01 -0.19 -1.12 -1.34 0.00 0.00 175.22 171.52 1plc s SER 20 N -2.94 2.57 0.17 1.98 0.01 -1.26 -1.61 113.70 112.61 1plc s SER 20 Ca 0.15 -0.80 -0.09 0.00 1.31 0.00 0.00 55.95 56.52 1plc s SER 20 Cb -0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1plc s SER 20 CO 0.04 -0.01 0.30 0.27 0.41 0.00 0.00 173.24 174.25 1plc s ILE 21 N -1.75 0.06 0.15 1.44 -4.36 -0.30 -4.94 121.20 111.50 1plc s ILE 21 Ca 0.12 -1.36 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 1plc s ILE 21 Cb -0.07 -1.85 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 1plc s ILE 21 CO 0.05 -0.27 0.35 -0.44 0.24 0.00 0.00 174.94 174.87 1plc s SER 22 N -2.97 6.42 0.29 4.36 0.01 -1.26 -1.44 113.70 119.10 1plc s SER 22 Ca 0.17 0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 1plc s SER 22 Cb 0.03 -2.03 -0.13 0.00 0.21 0.00 0.00 66.02 64.10 1plc s SER 22 CO 0.00 0.03 1.24 -2.65 0.41 0.00 0.00 173.24 172.27 1plc n PRO 23 N -0.21 1.82 -0.02 12.44 -0.02 -1.26 -1.47 135.00 146.28 1plc n PRO 23 Ca -0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1plc n PRO 23 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1plc n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1plc n GLY 24 N 1.38 2.79 3.73 -1.23 0.00 0.45 -5.00 105.19 107.31 1plc n GLY 24 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1plc n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1plc s GLU 25 N -0.06 4.29 0.15 1.61 2.12 -0.54 -4.80 118.70 121.48 1plc s GLU 25 Ca 0.00 2.22 -0.20 0.00 0.36 0.00 0.00 54.97 57.35 1plc s GLU 25 Cb 0.00 -3.16 -0.08 0.00 0.26 0.00 0.00 34.13 31.15 1plc s GLU 25 CO 0.00 -0.43 0.67 -1.59 -0.54 0.00 0.00 175.26 173.37 1plc s LYS 26 N 0.24 4.29 -0.22 4.30 -2.85 -1.26 -3.96 119.74 120.27 1plc s LYS 26 Ca 0.62 0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 56.39 1plc s LYS 26 Cb -0.40 -3.09 -0.02 0.00 -2.06 0.00 0.00 37.83 32.25 1plc s LYS 26 CO 0.37 0.52 0.03 0.42 0.10 0.00 0.00 175.35 176.80 1plc s ILE 27 N -1.30 4.05 -0.35 3.79 1.01 0.07 0.06 121.20 128.54 1plc s ILE 27 Ca 0.36 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 1plc s ILE 27 Cb -0.19 -2.86 0.05 0.00 0.01 0.00 0.00 42.46 39.47 1plc s ILE 27 CO 0.21 0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.96 1plc s VAL 28 N 1.32 3.65 -0.17 2.92 1.01 0.98 -1.66 120.40 128.45 1plc s VAL 28 Ca 0.04 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 1plc s VAL 28 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1plc s VAL 28 CO 0.02 -0.24 0.75 -0.36 0.00 0.00 0.00 175.10 175.27 1plc s PHE 29 N 1.36 3.42 -0.15 5.22 0.08 0.16 -0.94 117.98 127.13 1plc s PHE 29 Ca -0.01 1.15 0.02 0.00 0.12 0.00 0.00 56.93 58.20 1plc s PHE 29 Cb -0.20 -2.92 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 1plc s PHE 29 CO 0.02 -0.18 -0.20 0.21 -0.10 0.00 0.00 175.22 174.97 1plc s LYS 30 N 1.92 3.07 -0.00 0.44 2.20 0.89 -1.49 119.74 126.77 1plc s LYS 30 Ca 0.35 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1plc s LYS 30 Cb -0.16 -2.52 -0.07 0.00 -1.51 0.00 0.00 37.83 33.57 1plc s LYS 30 CO 0.12 -0.04 1.77 1.21 -0.36 0.00 0.00 175.35 178.05 1plc s ASN 31 N 0.91 6.58 0.03 1.43 2.47 0.65 -0.27 114.94 126.73 1plc s ASN 31 Ca -0.04 2.43 0.00 0.00 0.42 0.00 0.00 52.86 55.67 1plc s ASN 31 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1plc s ASN 31 CO -0.03 -0.97 0.00 -3.20 -3.72 0.00 0.00 177.10 169.18 1plc n ASN 32 N 7.05 0.24 -3.61 -4.21 5.15 0.18 -1.19 115.26 118.87 1plc n ASN 32 Ca 0.18 0.04 -0.16 0.00 -0.60 0.00 0.00 54.58 54.04 1plc n ASN 32 Cb 0.42 -0.07 -0.07 0.00 -0.53 0.00 0.00 39.78 39.53 1plc n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1plc s ALA 33 N -2.00 -1.40 -0.79 5.20 0.00 -0.72 -4.90 121.76 117.15 1plc s ALA 33 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1plc s ALA 33 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1plc s ALA 33 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1plc n GLY 34 N 0.99 0.87 3.73 0.00 0.00 -1.26 -3.90 105.19 105.62 1plc n GLY 34 Ca -0.20 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1plc n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1plc s PHE 35 N -2.29 2.41 0.62 1.61 -0.12 -1.26 -4.73 117.98 114.22 1plc s PHE 35 Ca 0.00 1.30 -0.17 0.00 -0.05 0.00 0.00 56.93 58.01 1plc s PHE 35 Cb 0.00 -3.14 -0.02 0.00 -0.63 0.00 0.00 43.02 39.23 1plc s PHE 35 CO 0.00 -2.24 1.12 -2.14 -0.05 0.00 0.00 175.22 171.91 1plc s PRO 36 N -4.95 2.95 0.16 1.99 0.02 -1.26 -5.07 135.00 128.84 1plc s PRO 36 Ca 0.63 1.49 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 1plc s PRO 36 Cb -0.17 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 1plc s PRO 36 CO 0.57 -1.15 0.16 -1.01 -0.33 0.00 0.00 177.00 175.24 1plc s HIS 37 N -2.12 0.77 0.28 6.54 3.76 -0.67 -4.96 115.29 118.88 1plc s HIS 37 Ca 0.69 -1.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 1plc s HIS 37 Cb -0.22 -0.34 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 1plc s HIS 37 CO 0.37 -0.63 0.42 0.54 -0.85 0.00 0.00 174.74 174.59 1plc s ASN 38 N -3.05 0.30 -0.15 1.40 2.20 -1.26 -0.33 114.94 114.05 1plc s ASN 38 Ca 0.25 -1.21 -0.01 0.00 -0.94 0.00 0.00 52.86 50.96 1plc s ASN 38 Cb 0.06 0.58 0.04 0.00 -2.00 0.00 0.00 41.25 39.93 1plc s ASN 38 CO 0.04 -1.15 -0.04 -0.63 -2.94 0.00 0.00 177.10 172.38 1plc s ILE 39 N -3.68 0.91 -0.08 0.54 1.09 -1.26 -4.02 121.20 114.71 1plc s ILE 39 Ca 0.28 -0.47 0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1plc s ILE 39 Cb 0.01 -1.11 0.01 0.00 -1.06 0.00 0.00 42.46 40.30 1plc s ILE 39 CO 0.14 0.13 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.25 1plc s VAL 40 N 1.72 1.50 -0.08 2.92 1.01 -0.01 -1.40 120.40 126.06 1plc s VAL 40 Ca 0.02 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1plc s VAL 40 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1plc s VAL 40 CO -0.07 0.44 0.54 -0.36 0.00 0.00 0.00 175.10 175.65 1plc s PHE 41 N 0.62 3.56 -0.19 5.22 0.40 -1.26 -0.65 117.98 125.68 1plc s PHE 41 Ca -0.14 1.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.92 1plc s PHE 41 Cb -0.16 -2.61 -0.02 0.00 0.51 0.00 0.00 43.02 40.74 1plc s PHE 41 CO 0.04 0.20 1.45 0.34 0.70 0.00 0.00 175.22 177.96 1plc s ASP 42 N 0.45 6.66 0.59 1.36 -1.08 -0.49 -4.90 116.67 119.25 1plc s ASP 42 Ca 0.29 1.66 0.30 0.00 -0.52 0.00 0.00 52.55 54.29 1plc s ASP 42 Cb -0.16 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 40.58 1plc s ASP 42 CO 0.13 -1.01 2.24 1.05 0.52 0.00 0.00 175.17 178.10 1plc h GLU 43 N 9.46 0.00 -0.10 4.34 4.11 -1.95 -0.31 114.58 130.13 1plc h GLU 43 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1plc h GLU 43 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1plc h GLU 43 CO 0.99 0.02 0.00 -0.25 0.07 0.00 0.00 179.01 179.84 1plc n ASP 44 N -3.76 2.28 -2.62 3.06 8.00 -1.26 -4.35 116.55 117.90 1plc n ASP 44 Ca -0.03 -1.76 -0.12 0.00 0.71 0.00 0.00 54.79 53.59 1plc n ASP 44 Cb 0.10 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1plc n ASP 44 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1plc n SER 45 N 0.76 2.32 -3.97 -2.24 7.64 -0.13 -5.06 113.62 112.94 1plc n SER 45 Ca 0.17 -2.84 -0.08 0.00 1.01 0.00 0.00 58.87 57.12 1plc n SER 45 Cb 0.46 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1plc n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1plc s ILE 46 N -3.81 0.15 0.48 0.44 -4.36 -1.20 -0.93 121.20 111.97 1plc s ILE 46 Ca 0.33 -1.46 -0.24 0.00 -0.26 0.00 0.00 60.65 59.01 1plc s ILE 46 Cb 0.42 -1.53 -0.07 0.00 1.25 0.00 0.00 42.46 42.53 1plc s ILE 46 CO -0.02 -0.68 1.42 -2.65 0.24 0.00 0.00 174.94 173.25 1plc n PRO 47 N -0.04 2.09 -1.66 0.37 -0.02 -1.24 -4.88 135.00 129.62 1plc n PRO 47 Ca -0.13 0.75 -0.46 0.00 -2.02 0.00 0.00 63.50 61.65 1plc n PRO 47 Cb 0.62 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1plc n PRO 47 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1plc n SER 48 N -0.44 2.76 0.00 2.55 7.64 -1.26 -2.32 113.62 122.54 1plc n SER 48 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1plc n SER 48 Cb 0.42 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1plc n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1plc n GLY 49 N 2.54 2.21 3.73 0.23 0.00 -1.26 -5.04 105.19 107.61 1plc n GLY 49 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1plc n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1plc s VAL 50 N -2.30 3.89 -0.61 1.61 1.01 -0.98 -4.99 120.40 118.02 1plc s VAL 50 Ca 0.00 1.59 -0.24 0.00 0.00 0.00 0.00 61.98 63.33 1plc s VAL 50 Cb 0.00 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1plc s VAL 50 CO 0.00 0.25 1.01 -0.62 0.00 0.00 0.00 175.10 175.74 1plc s ASP 51 N 0.05 6.27 0.55 3.32 -1.08 -1.26 -4.90 116.67 119.61 1plc s ASP 51 Ca 0.51 -0.55 0.28 0.00 -0.52 0.00 0.00 52.55 52.27 1plc s ASP 51 Cb -0.29 -2.45 1.45 0.00 -1.46 0.00 0.00 42.92 40.16 1plc s ASP 51 CO 0.34 -1.39 1.95 0.00 0.52 0.00 0.00 175.17 176.59 1plc h ALA 52 N 9.50 2.54 -0.08 3.66 0.00 -1.94 -1.92 119.26 131.02 1plc h ALA 52 Ca -0.27 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1plc h ALA 52 Cb 1.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1plc h ALA 52 CO 1.15 -0.80 -0.24 0.66 0.00 0.00 0.00 179.25 180.02 1plc h SER 53 N 0.00 0.13 1.27 0.00 4.64 -1.90 -1.66 113.55 116.03 1plc h SER 53 Ca 0.30 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1plc h SER 53 Cb 1.25 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1plc h SER 53 CO -0.00 0.38 -0.25 0.11 -0.87 0.00 0.00 176.83 176.20 1plc h LYS 54 N 0.12 0.00 -0.00 4.77 1.57 -1.77 -3.34 116.57 117.92 1plc h LYS 54 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1plc h LYS 54 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1plc h LYS 54 CO 0.04 0.25 -0.08 0.44 -0.57 0.00 0.00 179.45 179.53 1plc n ILE 55 N -3.27 0.00 -4.35 1.86 -5.35 -1.05 -5.02 119.36 102.18 1plc n ILE 55 Ca 0.01 -0.46 -0.24 0.00 -0.27 0.00 0.00 62.75 61.79 1plc n ILE 55 Cb 0.52 1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 39.40 1plc n ILE 55 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1plc s SER 56 N -0.78 4.22 0.58 7.28 0.15 -0.65 -4.86 113.70 119.64 1plc s SER 56 Ca 0.04 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.85 1plc s SER 56 Cb 0.03 -0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 63.66 1plc s SER 56 CO 0.10 0.02 0.93 -0.04 1.20 0.00 0.00 173.24 175.45 1plc s MET 57 N -3.53 3.31 0.51 5.44 -1.94 -0.50 -4.89 119.30 117.70 1plc s MET 57 Ca 0.30 0.35 -0.16 0.00 -1.71 0.00 0.00 55.69 54.47 1plc s MET 57 Cb -0.06 -2.21 -0.08 0.00 2.01 0.00 0.00 34.83 34.49 1plc s MET 57 CO 0.18 -0.55 0.98 0.45 -0.01 0.00 0.00 175.02 176.06 1plc s SER 58 N -4.21 6.61 0.59 3.03 0.15 -1.26 -4.66 113.70 113.94 1plc s SER 58 Ca 0.53 1.54 0.30 0.00 0.70 0.00 0.00 55.95 59.02 1plc s SER 58 Cb -0.11 -2.50 1.81 0.00 -1.71 0.00 0.00 66.02 63.52 1plc s SER 58 CO 0.49 -0.58 2.25 -0.33 1.20 0.00 0.00 173.24 176.26 1plc h GLU 59 N 0.91 0.00 -0.00 5.44 5.08 -1.97 -2.04 114.58 122.00 1plc h GLU 59 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1plc h GLU 59 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1plc h GLU 59 CO 0.62 0.01 -0.40 0.39 -1.00 0.00 0.00 179.01 178.63 1plc n GLU 60 N -3.82 0.25 -3.02 2.33 4.71 -1.26 -4.86 120.64 114.97 1plc n GLU 60 Ca -0.03 -0.14 -0.40 0.00 -0.01 0.00 0.00 57.16 56.59 1plc n GLU 60 Cb 0.09 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.97 1plc n GLU 60 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1plc s ASP 61 N -2.85 7.23 0.02 1.62 -1.08 -0.77 -5.08 116.67 115.77 1plc s ASP 61 Ca 0.15 1.46 0.01 0.00 -0.52 0.00 0.00 52.55 53.66 1plc s ASP 61 Cb 0.18 -2.46 -0.02 0.00 -1.46 0.00 0.00 42.92 39.16 1plc s ASP 61 CO 0.63 0.09 -0.05 -0.76 0.52 0.00 0.00 175.17 175.60 1plc s LEU 62 N -0.40 2.19 -0.37 -1.34 1.43 -1.26 -4.67 118.68 114.26 1plc s LEU 62 Ca 0.37 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1plc s LEU 62 Cb -0.21 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.95 1plc s LEU 62 CO 0.23 -0.18 0.27 -0.76 0.23 0.00 0.00 176.35 176.14 1plc s LEU 63 N -1.18 4.72 -0.08 1.79 1.43 0.55 -4.96 118.68 120.94 1plc s LEU 63 Ca -0.10 -0.57 0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1plc s LEU 63 Cb -0.08 -2.17 -0.26 0.00 0.03 0.00 0.00 46.19 43.71 1plc s LEU 63 CO -0.00 -0.32 0.37 0.59 0.23 0.00 0.00 176.35 177.22 1plc n ASN 64 N 5.16 0.16 -4.40 2.29 3.02 -1.26 -1.66 115.26 118.56 1plc n ASN 64 Ca -0.12 0.07 -0.27 0.00 -0.03 0.00 0.00 54.58 54.24 1plc n ASN 64 Cb 0.49 1.23 -0.12 0.00 -0.61 0.00 0.00 39.78 40.77 1plc n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1plc s ALA 65 N -2.98 2.42 0.24 5.41 0.00 -1.26 -4.56 121.76 121.04 1plc s ALA 65 Ca -0.08 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 1plc s ALA 65 Cb 0.10 -0.32 -0.12 0.00 0.00 0.00 0.00 23.12 22.78 1plc s ALA 65 CO 0.86 0.42 1.63 1.17 0.00 0.00 0.00 175.76 179.84 1plc n LYS 66 N 0.41 2.62 0.00 0.00 4.81 -1.26 -2.18 118.16 122.56 1plc n LYS 66 Ca -0.14 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1plc n LYS 66 Cb 0.55 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1plc n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1plc n GLY 67 N 3.03 1.44 3.77 3.14 0.00 -0.33 -5.01 105.19 111.23 1plc n GLY 67 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1plc n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1plc s GLU 68 N -0.61 4.29 0.25 1.61 2.02 -0.93 -4.69 118.70 120.64 1plc s GLU 68 Ca 0.00 2.08 0.09 0.00 0.02 0.00 0.00 54.97 57.17 1plc s GLU 68 Cb 0.00 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 1plc s GLU 68 CO 0.00 -0.20 -0.15 0.95 0.02 0.00 0.00 175.26 175.88 1plc s THR 69 N -1.21 2.05 -0.09 3.63 -4.23 -1.26 -0.25 115.64 114.28 1plc s THR 69 Ca 0.51 -2.28 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1plc s THR 69 Cb -0.37 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1plc s THR 69 CO 0.48 -0.46 -0.02 0.12 -0.54 0.00 0.00 174.62 174.20 1plc s PHE 70 N -2.77 0.94 0.02 3.99 5.36 -0.56 -4.99 117.98 119.97 1plc s PHE 70 Ca 0.27 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1plc s PHE 70 Cb -0.02 -0.94 -0.04 0.00 -0.34 0.00 0.00 43.02 41.68 1plc s PHE 70 CO 0.11 -0.39 -0.01 -1.21 -1.46 0.00 0.00 175.22 172.25 1plc s GLU 71 N 1.89 2.68 -0.14 10.12 2.02 -1.26 -0.66 118.70 133.35 1plc s GLU 71 Ca 0.05 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.15 1plc s GLU 71 Cb -0.12 -2.60 0.05 0.00 0.10 0.00 0.00 34.13 31.55 1plc s GLU 71 CO -0.06 0.60 0.52 0.54 0.02 0.00 0.00 175.26 176.88 1plc s VAL 72 N -1.12 0.01 -0.08 2.63 0.11 -0.66 -5.01 120.40 116.28 1plc s VAL 72 Ca 0.20 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.21 1plc s VAL 72 Cb -0.11 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1plc s VAL 72 CO 0.11 -0.05 -0.23 0.00 -3.33 0.00 0.00 175.10 171.60 1plc s ALA 73 N -0.31 2.22 -0.06 1.54 0.00 -1.26 -0.75 121.76 123.14 1plc s ALA 73 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1plc s ALA 73 Cb -0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1plc s ALA 73 CO 0.03 0.37 -0.04 -0.51 0.00 0.00 0.00 175.76 175.61 1plc s LEU 74 N 0.02 3.31 -0.06 0.00 1.43 -1.25 -4.95 118.68 117.17 1plc s LEU 74 Ca -0.09 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1plc s LEU 74 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1plc s LEU 74 CO 0.05 0.35 -0.07 -1.54 0.23 0.00 0.00 176.35 175.37 1plc n SER 75 N 2.05 1.10 -4.74 2.29 3.41 -1.26 -0.41 113.62 116.06 1plc n SER 75 Ca -0.17 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.07 1plc n SER 75 Cb 0.53 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1plc n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1plc s ASN 76 N -5.32 6.60 0.44 4.04 -0.87 -1.26 -4.71 114.94 113.86 1plc s ASN 76 Ca -0.08 2.70 -0.22 0.00 -1.57 0.00 0.00 52.86 53.69 1plc s ASN 76 Cb 0.03 -2.62 -0.09 0.00 -0.02 0.00 0.00 41.25 38.55 1plc s ASN 76 CO 0.11 -0.76 1.04 -0.54 -2.57 0.00 0.00 177.10 174.38 1plc s LYS 77 N -0.10 4.00 0.00 -0.60 1.02 -1.26 -4.77 119.74 118.03 1plc s LYS 77 Ca 0.62 1.42 0.00 0.00 0.02 0.00 0.00 55.97 58.03 1plc s LYS 77 Cb -0.43 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1plc s LYS 77 CO 0.42 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 1plc n GLY 78 N 0.01 0.83 3.84 -3.33 0.00 -0.45 -4.87 105.19 101.22 1plc n GLY 78 Ca 0.07 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 1plc n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1plc s GLU 79 N -1.45 3.55 -0.14 1.61 2.02 -1.26 -0.81 118.70 122.22 1plc s GLU 79 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1plc s GLU 79 Cb 0.00 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 31.05 1plc s GLU 79 CO 0.00 0.69 -0.13 0.71 0.02 0.00 0.00 175.26 176.55 1plc s TYR 80 N -0.76 1.98 -0.07 1.61 1.51 0.64 -3.69 117.35 118.57 1plc s TYR 80 Ca 0.13 -1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 55.00 1plc s TYR 80 Cb -0.12 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 1plc s TYR 80 CO 0.03 -0.61 0.30 -1.12 -1.11 0.00 0.00 175.55 173.04 1plc s SER 81 N 1.49 6.60 0.12 2.29 0.01 -0.10 -0.89 113.70 123.22 1plc s SER 81 Ca 0.04 0.72 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 1plc s SER 81 Cb -0.13 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1plc s SER 81 CO -0.09 0.30 0.06 0.72 0.41 0.00 0.00 173.24 174.64 1plc s PHE 82 N -0.72 0.78 0.22 2.43 -0.12 -0.41 -1.40 117.98 118.77 1plc s PHE 82 Ca 0.20 -1.18 -0.19 0.00 -0.05 0.00 0.00 56.93 55.71 1plc s PHE 82 Cb -0.14 -0.44 0.03 0.00 -0.63 0.00 0.00 43.02 41.84 1plc s PHE 82 CO 0.08 -0.52 0.60 1.52 -0.05 0.00 0.00 175.22 176.85 1plc s TYR 83 N -4.03 -0.15 -0.32 3.49 1.13 0.17 -1.26 117.35 116.38 1plc s TYR 83 Ca 0.22 -0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.55 1plc s TYR 83 Cb 0.07 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.42 1plc s TYR 83 CO 0.00 -1.03 0.20 0.00 -2.51 0.00 0.00 175.55 172.22 1plc h SER 85 N 8.42 -0.18 0.91 0.00 4.64 -1.89 -0.24 113.55 125.21 1plc h SER 85 Ca -0.32 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1plc h SER 85 Cb 1.15 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1plc h SER 85 CO 0.62 -0.06 0.00 1.55 -0.87 0.00 0.00 176.83 178.08 1plc h PRO 86 N 0.07 0.00 0.00 4.77 0.13 -1.93 -3.22 132.00 131.83 1plc h PRO 86 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1plc h PRO 86 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1plc h PRO 86 CO -0.30 0.00 -0.01 0.72 -0.23 0.00 0.00 178.00 178.18 1plc n HIS 87 N -2.68 0.00 -0.07 1.56 8.25 -0.91 -4.77 115.22 116.60 1plc n HIS 87 Ca 0.01 -0.83 -0.08 0.00 -0.26 0.00 0.00 57.72 56.56 1plc n HIS 87 Cb 0.28 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 1plc n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1plc h GLN 88 N 0.00 0.22 -0.36 -0.41 4.15 -1.06 -2.02 115.11 115.63 1plc h GLN 88 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1plc h GLN 88 Cb 0.86 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1plc h GLN 88 CO 0.00 0.14 0.23 0.78 -1.93 0.00 0.00 178.83 178.05 1plc h GLY 89 N 0.23 0.51 2.00 2.39 0.00 -1.86 -0.38 103.07 105.95 1plc h GLY 89 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1plc h GLY 89 CO -0.11 0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1plc n ALA 90 N -2.48 1.89 -0.00 3.60 0.00 -0.96 -4.89 120.51 117.67 1plc n ALA 90 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1plc n ALA 90 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1plc n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1plc n GLY 91 N 0.49 1.00 3.53 0.00 0.00 -0.15 -4.97 105.19 105.09 1plc n GLY 91 Ca 0.04 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1plc n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1plc s MET 92 N -0.49 4.03 0.16 1.61 -2.45 -0.80 -4.87 119.30 116.49 1plc s MET 92 Ca 0.00 -2.23 0.03 0.00 -1.25 0.00 0.00 55.69 52.24 1plc s MET 92 Cb 0.00 -5.35 -0.05 0.00 1.25 0.00 0.00 34.83 30.68 1plc s MET 92 CO 0.00 -2.07 -0.06 0.14 1.05 0.00 0.00 175.02 174.09 1plc s VAL 93 N 3.18 0.95 0.33 10.11 -7.23 -1.26 -1.61 120.40 124.87 1plc s VAL 93 Ca 0.50 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.47 1plc s VAL 93 Cb 0.01 -1.96 0.04 0.00 0.56 0.00 0.00 36.38 35.04 1plc s VAL 93 CO 0.05 -0.64 0.77 -0.83 -0.31 0.00 0.00 175.10 174.14 1plc s GLY 94 N -3.17 0.15 -0.18 2.32 0.00 -0.39 -4.65 107.32 101.40 1plc s GLY 94 Ca 0.19 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 1plc s GLY 94 CO 0.02 -0.15 0.44 1.25 0.00 0.00 0.00 173.10 174.65 1plc s LYS 95 N -3.02 0.42 -0.04 2.90 2.20 0.02 -1.28 119.74 120.94 1plc s LYS 95 Ca 0.14 0.84 0.05 0.00 -0.36 0.00 0.00 55.97 56.64 1plc s LYS 95 Cb -0.05 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1plc s LYS 95 CO 0.09 -0.16 -0.20 0.54 -0.36 0.00 0.00 175.35 175.26 1plc s VAL 96 N 1.45 2.51 -0.19 4.02 0.11 -0.07 -2.50 120.40 125.73 1plc s VAL 96 Ca -0.09 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 57.99 1plc s VAL 96 Cb -0.08 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 1plc s VAL 96 CO -0.14 0.58 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.28 1plc s THR 97 N -0.52 3.62 -0.39 5.04 2.01 -0.64 -0.26 115.64 124.50 1plc s THR 97 Ca 0.07 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1plc s THR 97 Cb -0.11 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.80 1plc s THR 97 CO 0.01 0.45 0.27 -0.69 -0.69 0.00 0.00 174.62 173.97 1plc s VAL 98 N 0.93 5.18 0.00 3.82 1.01 0.01 -1.15 120.40 130.19 1plc s VAL 98 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1plc s VAL 98 Cb -0.15 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1plc s VAL 98 CO 0.01 -0.21 0.32 -0.46 0.00 0.00 0.00 175.10 174.76