#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npt s MET 4 N 0.00 2.46 0.05 4.33 1.00 -1.26 -5.13 119.30 120.76 2npt s MET 4 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 55.69 54.77 2npt s MET 4 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 34.83 32.64 2npt s MET 4 CO 0.00 0.44 0.02 0.00 0.00 0.00 0.00 175.02 175.47 2npt s ALA 5 N -0.30 0.32 0.33 3.03 0.00 -1.26 -5.13 121.76 118.75 2npt s ALA 5 Ca 0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 2npt s ALA 5 Cb -0.13 0.30 -0.11 0.00 0.00 0.00 0.00 23.12 23.18 2npt s ALA 5 CO 0.02 -0.37 1.56 1.28 0.00 0.00 0.00 175.76 178.25 2npt n LEU 6 N 0.24 4.60 -4.64 0.00 4.77 -1.26 -5.00 117.00 115.70 2npt n LEU 6 Ca -0.15 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.70 2npt n LEU 6 Cb 0.61 -1.61 0.18 0.00 -2.33 0.00 0.00 43.42 40.27 2npt n LEU 6 CO 0.26 0.18 0.65 -0.83 -1.33 0.00 0.00 177.39 176.33 2npt s GLY 7 N 0.24 1.67 0.54 -0.72 0.00 -1.26 -5.00 107.32 102.78 2npt s GLY 7 Ca 0.59 0.48 -0.20 0.00 0.00 0.00 0.00 44.72 45.59 2npt s GLY 7 CO 0.55 0.95 1.18 2.56 0.00 0.00 0.00 173.10 178.34 2npt s PRO 8 N -4.61 3.30 0.42 2.90 0.04 -1.26 -4.98 135.00 130.81 2npt s PRO 8 Ca 0.67 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 2npt s PRO 8 Cb -0.23 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2npt s PRO 8 CO 0.59 -0.93 1.45 0.12 0.04 0.00 0.00 177.00 178.27 2npt s PHE 9 N -1.62 2.53 0.02 0.56 5.36 -1.26 -4.87 117.98 118.70 2npt s PHE 9 Ca 0.72 1.23 -0.38 0.00 -0.96 0.00 0.00 56.93 57.54 2npt s PHE 9 Cb -0.28 -3.95 -0.17 0.00 -0.34 0.00 0.00 43.02 38.27 2npt s PHE 9 CO 0.32 -2.93 1.33 -2.30 -1.46 0.00 0.00 175.22 170.19 2npt n PRO 10 N 0.10 0.90 -3.76 10.12 -0.02 -1.26 -4.94 135.00 136.13 2npt n PRO 10 Ca 0.03 0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.77 2npt n PRO 10 Cb 0.41 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2npt n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2npt s ALA 11 N 0.73 -1.41 0.48 3.55 0.00 -1.26 -4.83 121.76 119.02 2npt s ALA 11 Ca 0.87 -0.03 0.20 0.00 0.00 0.00 0.00 51.96 53.00 2npt s ALA 11 Cb -1.04 0.78 1.22 0.00 0.00 0.00 0.00 23.12 24.09 2npt s ALA 11 CO 0.51 -0.99 1.98 0.52 0.00 0.00 0.00 175.76 177.78 2npt h MET 12 N 2.00 0.19 0.00 0.00 2.86 -1.93 -0.35 114.93 117.71 2npt h MET 12 Ca -0.22 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2npt h MET 12 Cb 1.25 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 2npt h MET 12 CO 0.26 0.13 -0.04 0.93 1.06 0.00 0.00 176.91 179.24 2npt h GLU 13 N 0.20 0.00 0.00 1.72 3.07 -1.96 -3.22 114.58 114.39 2npt h GLU 13 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2npt h GLU 13 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2npt h GLU 13 CO -0.05 0.04 0.00 0.27 -1.40 0.00 0.00 179.01 177.88 2npt n ASN 14 N -3.17 1.24 -3.72 1.42 0.23 -0.24 -5.01 115.26 106.01 2npt n ASN 14 Ca 0.00 -1.41 -0.12 0.00 -0.53 0.00 0.00 54.58 52.52 2npt n ASN 14 Cb 0.31 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.90 2npt n ASN 14 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2npt s GLN 15 N -0.41 0.36 0.03 -3.83 2.00 -0.61 -4.89 119.66 112.30 2npt s GLN 15 Ca 0.00 0.64 -0.30 0.00 -2.00 0.00 0.00 55.36 53.70 2npt s GLN 15 Cb 0.00 0.02 -0.04 0.00 0.80 0.00 0.00 33.01 33.79 2npt s GLN 15 CO 0.00 -0.13 1.11 0.08 -0.50 0.00 0.00 175.29 175.85 2npt s VAL 16 N 1.00 4.40 -0.10 1.34 1.01 -1.26 -4.33 120.40 122.46 2npt s VAL 16 Ca -0.07 1.72 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 2npt s VAL 16 Cb -0.07 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 2npt s VAL 16 CO -0.08 0.13 0.37 -0.22 0.00 0.00 0.00 175.10 175.30 2npt s LEU 17 N 1.11 4.34 -0.15 3.92 2.96 -1.26 -5.00 118.68 124.60 2npt s LEU 17 Ca 0.56 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 2npt s LEU 17 Cb -0.26 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 43.93 2npt s LEU 17 CO 0.28 0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.63 2npt s VAL 18 N -0.08 2.66 -0.22 1.68 1.01 -1.26 -0.79 120.40 123.40 2npt s VAL 18 Ca 0.21 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2npt s VAL 18 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2npt s VAL 18 CO 0.09 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 175.13 2npt s ILE 19 N 0.75 4.40 -0.38 2.22 1.01 -0.06 -1.11 121.20 128.04 2npt s ILE 19 Ca -0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 2npt s ILE 19 Cb -0.15 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.30 2npt s ILE 19 CO 0.01 0.39 0.26 -0.60 0.00 0.00 0.00 174.94 175.00 2npt s ARG 20 N 1.13 3.16 -0.43 2.79 3.52 0.85 -0.41 118.95 129.57 2npt s ARG 20 Ca 0.04 -0.88 -0.20 0.00 -0.13 0.00 0.00 55.73 54.56 2npt s ARG 20 Cb -0.14 -3.88 0.02 0.00 -1.56 0.00 0.00 34.95 29.39 2npt s ARG 20 CO 0.03 -0.62 0.63 0.42 -0.81 0.00 0.00 175.30 174.95 2npt s ILE 21 N 1.68 4.85 -0.48 4.11 1.01 0.72 -1.17 121.20 131.93 2npt s ILE 21 Ca 0.05 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.63 2npt s ILE 21 Cb -0.18 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.14 2npt s ILE 21 CO 0.10 -0.55 0.75 -0.54 0.00 0.00 0.00 174.94 174.70 2npt s LYS 22 N 2.77 3.31 -0.05 2.79 1.02 -0.32 -1.59 119.74 127.67 2npt s LYS 22 Ca 0.22 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 2npt s LYS 22 Cb -0.14 -3.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.13 2npt s LYS 22 CO 0.18 -1.18 0.48 0.42 -0.92 0.00 0.00 175.35 174.33 2npt s ILE 23 N 3.19 5.07 -0.08 2.17 -1.09 0.29 -4.21 121.20 126.53 2npt s ILE 23 Ca 0.26 0.98 -0.36 0.00 -2.23 0.00 0.00 60.65 59.30 2npt s ILE 23 Cb -0.14 -3.81 -0.13 0.00 -1.58 0.00 0.00 42.46 36.80 2npt s ILE 23 CO 0.19 0.43 1.75 -2.65 -1.23 0.00 0.00 174.94 173.43 2npt n PRO 24 N 2.86 1.84 -1.82 2.79 -0.02 -1.26 -1.58 135.00 137.81 2npt n PRO 24 Ca -0.09 0.67 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 2npt n PRO 24 Cb 0.52 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 2npt n PRO 24 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2npt n ASN 25 N 5.43 -4.92 0.00 2.55 4.13 -1.26 -4.77 115.26 116.41 2npt n ASN 25 Ca 0.22 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.80 2npt n ASN 25 Cb 0.24 -4.31 0.00 0.00 -1.54 0.00 0.00 39.78 34.17 2npt n ASN 25 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2npt n SER 26 N -1.35 0.00 0.00 6.41 7.64 -0.61 -5.16 113.62 120.54 2npt n SER 26 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2npt n SER 26 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2npt n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2npt n GLY 27 N 0.00 -1.28 3.12 0.23 0.00 -1.18 -4.96 105.19 101.12 2npt n GLY 27 Ca 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 2npt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npt s ALA 28 N -2.00 0.84 -0.04 4.61 0.00 -1.26 -0.55 121.76 123.37 2npt s ALA 28 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2npt s ALA 28 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2npt s ALA 28 CO 0.00 -0.00 -0.24 0.08 0.00 0.00 0.00 175.76 175.60 2npt s VAL 29 N -1.78 1.92 -0.30 0.00 1.01 -0.62 -4.97 120.40 115.65 2npt s VAL 29 Ca -0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 2npt s VAL 29 Cb -0.07 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2npt s VAL 29 CO 0.00 0.54 0.16 -1.81 0.00 0.00 0.00 175.10 173.99 2npt s ASP 30 N -0.36 5.63 -0.39 3.32 1.01 -1.26 -0.20 116.67 124.42 2npt s ASP 30 Ca 0.03 -0.41 -0.13 0.00 0.71 0.00 0.00 52.55 52.76 2npt s ASP 30 Cb -0.11 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.81 2npt s ASP 30 CO 0.01 -0.16 0.25 0.86 0.21 0.00 0.00 175.17 176.34 2npt s TRP 31 N 1.65 3.24 -0.37 4.23 -0.00 0.46 -4.97 118.94 123.17 2npt s TRP 31 Ca 0.05 -0.76 -0.24 0.00 -0.00 0.00 0.00 56.10 55.16 2npt s TRP 31 Cb -0.17 -2.51 0.01 0.00 -0.00 0.00 0.00 33.47 30.80 2npt s TRP 31 CO 0.07 -0.61 0.82 0.99 -0.00 0.00 0.00 176.95 178.22 2npt s THR 32 N 1.62 4.69 0.03 5.86 2.01 -1.26 -0.88 115.64 127.70 2npt s THR 32 Ca 0.04 0.92 -0.24 0.00 0.31 0.00 0.00 61.69 62.71 2npt s THR 32 Cb -0.19 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 2npt s THR 32 CO 0.08 -0.48 0.73 -0.69 -0.69 0.00 0.00 174.62 173.57 2npt s VAL 33 N 3.21 4.77 -0.13 3.82 1.01 0.03 -5.02 120.40 128.09 2npt s VAL 33 Ca 0.33 1.54 -0.25 0.00 0.00 0.00 0.00 61.98 63.61 2npt s VAL 33 Cb -0.13 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 31.92 2npt s VAL 33 CO 0.18 0.37 0.65 1.12 0.00 0.00 0.00 175.10 177.43 2npt h HIS 34 N 5.68 0.14 -3.73 5.22 2.07 -1.95 -3.41 115.15 119.18 2npt h HIS 34 Ca -0.44 -0.11 -0.56 0.00 -2.85 0.00 0.00 60.37 56.41 2npt h HIS 34 Cb 1.20 -0.01 0.14 0.00 2.57 0.00 0.00 27.41 31.32 2npt h HIS 34 CO 0.65 1.22 0.44 0.94 -3.07 0.00 0.00 177.93 178.11 2npt n GLN 38 N -4.41 1.57 -3.15 5.12 0.00 -1.26 -5.04 117.38 110.21 2npt n GLN 38 Ca -0.17 0.57 -0.40 0.00 -0.00 0.00 0.00 57.00 57.01 2npt n GLN 38 Cb 0.63 -2.40 -0.06 0.00 0.00 0.00 0.00 30.24 28.40 2npt n GLN 38 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2npt s LEU 39 N -2.47 4.14 0.09 1.69 2.96 -1.26 -5.08 118.68 118.76 2npt s LEU 39 Ca 0.69 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 2npt s LEU 39 Cb -0.45 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2npt s LEU 39 CO 0.52 -0.25 0.14 -0.76 -1.32 0.00 0.00 176.35 174.67 2npt s LEU 40 N 1.85 3.99 0.22 -0.68 1.43 -1.26 -5.01 118.68 119.21 2npt s LEU 40 Ca 0.27 0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2npt s LEU 40 Cb -0.16 -2.63 0.32 0.00 0.03 0.00 0.00 46.19 43.75 2npt s LEU 40 CO 0.10 0.15 1.70 0.15 0.23 0.00 0.00 176.35 178.68 2npt h PHE 41 N 3.03 0.19 0.00 0.29 3.57 -1.92 0.64 116.94 122.75 2npt h PHE 41 Ca -0.46 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2npt h PHE 41 Cb 1.17 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 2npt h PHE 41 CO 0.60 -0.05 -0.10 0.00 -2.23 0.00 0.00 178.31 176.52 2npt h ARG 42 N 0.25 0.00 -0.49 1.11 2.47 -1.96 -1.76 114.38 113.99 2npt h ARG 42 Ca 0.33 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.93 2npt h ARG 42 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2npt h ARG 42 CO -0.43 0.10 -0.18 -0.44 0.56 0.00 0.00 179.97 179.59 2npt h ASP 43 N 0.00 0.98 -0.15 7.04 3.32 -1.28 -1.40 116.42 124.94 2npt h ASP 43 Ca -0.00 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 2npt h ASP 43 Cb 0.21 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2npt h ASP 43 CO 0.01 1.13 -0.03 0.58 -1.72 0.00 0.00 179.24 179.22 2npt h VAL 44 N 0.85 1.28 -0.93 -1.35 2.07 -0.96 -2.30 116.25 114.90 2npt h VAL 44 Ca 0.12 -0.95 0.07 0.00 0.82 0.00 0.00 66.70 66.76 2npt h VAL 44 Cb 0.74 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 2npt h VAL 44 CO 0.06 0.28 0.60 -0.07 0.02 0.00 0.00 177.57 178.46 2npt h LEU 45 N -0.01 0.93 -0.48 2.57 3.38 -1.28 -1.13 115.31 119.29 2npt h LEU 45 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2npt h LEU 45 Cb 0.44 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2npt h LEU 45 CO 0.01 0.58 0.24 0.44 0.09 0.00 0.00 178.44 179.81 2npt h ASP 46 N 1.04 0.61 -0.39 -0.43 3.32 -0.99 0.24 116.42 119.82 2npt h ASP 46 Ca 0.41 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 2npt h ASP 46 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2npt h ASP 46 CO -0.16 0.55 0.01 0.58 -1.72 0.00 0.00 179.24 178.50 2npt h VAL 47 N 0.63 1.26 -0.66 -1.35 2.07 -1.00 -2.50 116.25 114.69 2npt h VAL 47 Ca 0.17 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.78 2npt h VAL 47 Cb 0.09 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2npt h VAL 47 CO -0.02 0.33 0.35 0.40 0.02 0.00 0.00 177.57 178.64 2npt h ILE 48 N 0.51 0.91 0.00 4.57 2.04 -1.01 -1.73 117.51 122.80 2npt h ILE 48 Ca 0.11 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2npt h ILE 48 Cb 0.45 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2npt h ILE 48 CO 0.02 0.11 -0.06 1.23 0.00 0.00 0.00 178.15 179.45 2npt h GLY 49 N 0.62 0.00 0.80 5.37 0.00 -0.73 -0.30 103.07 108.82 2npt h GLY 49 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.47 2npt h GLY 49 CO -0.22 0.00 -0.70 1.46 0.00 0.00 0.00 176.54 177.09 2npt h GLN 50 N 0.00 0.40 0.00 4.80 4.20 -0.90 -3.14 115.11 120.48 2npt h GLN 50 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2npt h GLN 50 Cb 0.12 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2npt h GLN 50 CO 0.01 1.16 -0.04 -0.39 -0.67 0.00 0.00 178.83 178.89 2npt h VAL 51 N -0.13 0.00 -2.17 -0.54 -1.51 -1.14 -3.35 116.25 107.42 2npt h VAL 51 Ca -0.10 -0.80 -0.57 0.00 -1.23 0.00 0.00 66.70 64.00 2npt h VAL 51 Cb 1.43 1.77 -0.41 0.00 -2.13 0.00 0.00 31.29 31.96 2npt h VAL 51 CO 0.14 0.00 -0.77 -0.11 -1.23 0.00 0.00 177.57 175.59 2npt n LEU 52 N -2.76 3.02 0.22 4.19 7.94 -0.15 -4.99 117.00 124.49 2npt n LEU 52 Ca 0.04 -5.34 0.15 0.00 -1.11 0.00 0.00 56.01 49.75 2npt n LEU 52 Cb 0.49 -0.23 0.58 0.00 0.53 0.00 0.00 43.42 44.79 2npt n LEU 52 CO 0.33 2.19 0.94 1.55 -1.11 0.00 0.00 177.39 181.29 2npt h PRO 53 N 3.59 0.00 -0.49 1.96 0.13 -1.68 -3.09 132.00 132.43 2npt h PRO 53 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2npt h PRO 53 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2npt h PRO 53 CO 0.73 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.89 2npt n GLU 54 N -2.81 2.53 -4.39 0.86 1.02 -1.26 -4.92 120.64 111.68 2npt n GLU 54 Ca 0.01 -2.33 -0.29 0.00 -0.02 0.00 0.00 57.16 54.53 2npt n GLU 54 Cb 0.31 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 2npt n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2npt s ALA 55 N -1.21 2.58 -0.25 0.62 0.00 -1.17 -5.12 121.76 117.22 2npt s ALA 55 Ca 0.39 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2npt s ALA 55 Cb 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2npt s ALA 55 CO 0.29 0.58 0.17 0.99 0.00 0.00 0.00 175.76 177.79 2npt s THR 56 N -1.08 5.34 -0.18 0.00 2.01 -1.26 -4.96 115.64 115.51 2npt s THR 56 Ca 0.16 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.35 2npt s THR 56 Cb -0.10 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2npt s THR 56 CO 0.08 0.31 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.24 2npt s THR 57 N 1.29 2.03 -0.88 -0.82 2.01 -1.26 -4.40 115.64 113.60 2npt s THR 57 Ca 0.07 -0.93 0.17 0.00 0.31 0.00 0.00 61.69 61.31 2npt s THR 57 Cb -0.14 -1.84 -0.16 0.00 0.01 0.00 0.00 72.50 70.36 2npt s THR 57 CO 0.07 0.52 0.74 0.35 -0.69 0.00 0.00 174.62 175.61 2npt n THR 58 N 4.63 0.00 -3.84 -0.82 -2.24 -0.97 -4.97 114.28 106.07 2npt n THR 58 Ca -0.21 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.37 2npt n THR 58 Cb 0.50 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 2npt n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2npt s ALA 59 N -2.54 -0.84 0.13 6.98 0.00 -1.02 -4.90 121.76 119.57 2npt s ALA 59 Ca 0.07 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 2npt s ALA 59 Cb 0.13 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 2npt s ALA 59 CO 0.67 -1.00 0.25 -0.59 0.00 0.00 0.00 175.76 175.09 2npt s PHE 60 N -2.92 0.30 0.14 0.00 -0.12 -1.20 -0.85 117.98 113.34 2npt s PHE 60 Ca 0.15 -0.69 0.11 0.00 -0.05 0.00 0.00 56.93 56.44 2npt s PHE 60 Cb -0.05 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 2npt s PHE 60 CO 0.10 -0.65 -0.24 -1.21 -0.05 0.00 0.00 175.22 173.17 2npt s GLU 61 N -3.93 1.52 0.21 1.99 2.02 0.46 0.00 118.70 120.98 2npt s GLU 61 Ca 0.12 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 53.79 2npt s GLU 61 Cb 0.04 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 2npt s GLU 61 CO -0.04 0.44 -0.01 1.52 0.02 0.00 0.00 175.26 177.19 2npt s TYR 62 N -1.23 1.47 -0.18 1.61 -0.85 -0.27 -0.70 117.35 117.20 2npt s TYR 62 Ca 0.17 -0.94 -0.14 0.00 -0.52 0.00 0.00 57.07 55.63 2npt s TYR 62 Cb -0.10 -0.84 -0.04 0.00 0.38 0.00 0.00 41.96 41.36 2npt s TYR 62 CO 0.08 -0.07 0.32 -2.00 -1.52 0.00 0.00 175.55 172.36 2npt s GLU 63 N -3.87 4.21 0.10 -3.49 2.12 -1.26 0.34 118.70 116.85 2npt s GLU 63 Ca 0.27 0.11 -0.00 0.00 0.36 0.00 0.00 54.97 55.71 2npt s GLU 63 Cb 0.06 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.98 2npt s GLU 63 CO 0.07 0.11 0.14 -0.40 -0.54 0.00 0.00 175.26 174.64 2npt n ASP 64 N 4.00 0.16 0.28 -1.70 5.75 -0.49 -4.92 116.55 119.63 2npt n ASP 64 Ca -0.11 -1.14 0.15 0.00 -0.01 0.00 0.00 54.79 53.68 2npt n ASP 64 Cb 0.52 -0.09 0.81 0.00 -1.03 0.00 0.00 41.12 41.32 2npt n ASP 64 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2npt h GLU 65 N 0.00 0.00 -0.01 0.11 9.09 -1.99 -0.85 114.58 120.93 2npt h GLU 65 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 2npt h GLU 65 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2npt h GLU 65 CO 0.05 0.08 -0.12 -0.25 0.05 0.00 0.00 179.01 178.81 2npt n ASP 66 N -3.55 0.98 -0.11 3.06 8.00 -1.26 -4.94 116.55 118.73 2npt n ASP 66 Ca -0.02 -1.02 -0.01 0.00 0.71 0.00 0.00 54.79 54.44 2npt n ASP 66 Cb 0.20 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 2npt n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2npt n GLY 67 N 1.25 0.52 3.79 0.44 0.00 -0.32 -5.04 105.19 105.83 2npt n GLY 67 Ca 0.16 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2npt n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2npt s ASP 68 N -2.47 7.23 -0.20 1.61 1.01 -1.26 -4.78 116.67 117.82 2npt s ASP 68 Ca 0.00 1.65 -0.29 0.00 0.71 0.00 0.00 52.55 54.62 2npt s ASP 68 Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 2npt s ASP 68 CO 0.00 0.00 1.10 -0.13 0.21 0.00 0.00 175.17 176.35 2npt s ARG 69 N -1.93 4.27 -0.20 8.23 1.81 -1.26 -1.39 118.95 128.48 2npt s ARG 69 Ca 0.46 1.45 -0.04 0.00 -1.72 0.00 0.00 55.73 55.88 2npt s ARG 69 Cb -0.18 -3.66 -0.02 0.00 -0.45 0.00 0.00 34.95 30.64 2npt s ARG 69 CO 0.23 -0.62 -0.03 0.42 -0.68 0.00 0.00 175.30 174.63 2npt s ILE 70 N 3.14 3.67 -0.03 1.52 -1.09 0.15 -4.93 121.20 123.64 2npt s ILE 70 Ca 0.47 -0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 58.30 2npt s ILE 70 Cb -0.17 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 2npt s ILE 70 CO 0.10 0.43 0.54 -0.89 -1.23 0.00 0.00 174.94 173.89 2npt s THR 71 N 1.12 4.99 -0.18 2.92 2.01 -1.26 -1.11 115.64 124.13 2npt s THR 71 Ca 0.02 1.11 -0.03 0.00 0.31 0.00 0.00 61.69 63.11 2npt s THR 71 Cb -0.15 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2npt s THR 71 CO 0.00 0.42 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 2npt s VAL 72 N -0.13 3.36 0.00 3.82 1.01 0.10 -4.98 120.40 123.59 2npt s VAL 72 Ca 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2npt s VAL 72 Cb -0.17 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.72 2npt s VAL 72 CO 0.15 0.47 0.53 0.54 0.00 0.00 0.00 175.10 176.78 2npt n ARG 73 N 4.19 0.59 -3.79 2.72 1.74 -1.26 -3.23 116.66 117.62 2npt n ARG 73 Ca -0.18 -0.66 -0.09 0.00 -0.77 0.00 0.00 57.85 56.14 2npt n ARG 73 Cb 0.52 -0.76 -0.04 0.00 -1.02 0.00 0.00 32.46 31.16 2npt n ARG 73 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2npt s SER 74 N -0.28 -0.23 0.27 0.55 1.04 -1.26 -5.04 113.70 108.75 2npt s SER 74 Ca 0.00 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 2npt s SER 74 Cb 0.00 0.59 0.36 0.00 0.10 0.00 0.00 66.02 67.07 2npt s SER 74 CO 0.00 -1.09 1.87 0.44 0.98 0.00 0.00 173.24 175.45 2npt h ASP 75 N 2.20 0.93 -0.85 7.02 3.32 -1.98 -0.74 116.42 126.32 2npt h ASP 75 Ca -0.28 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.69 2npt h ASP 75 Cb 1.26 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 2npt h ASP 75 CO 0.36 0.78 0.56 -0.08 -1.72 0.00 0.00 179.24 179.14 2npt h GLU 76 N 1.02 1.09 -0.21 3.56 4.81 -2.00 -0.85 114.58 122.02 2npt h GLU 76 Ca 0.25 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 2npt h GLU 76 Cb 0.10 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2npt h GLU 76 CO -0.03 0.72 -0.49 0.93 -0.73 0.00 0.00 179.01 179.41 2npt h GLU 77 N 1.13 0.56 -0.73 1.92 5.08 -1.90 -2.66 114.58 117.99 2npt h GLU 77 Ca 0.32 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2npt h GLU 77 Cb -0.10 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2npt h GLU 77 CO -0.08 0.93 0.42 0.52 -1.00 0.00 0.00 179.01 179.80 2npt h MET 78 N 0.44 0.74 -0.41 2.33 2.86 -0.54 -1.34 114.93 119.01 2npt h MET 78 Ca 0.02 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2npt h MET 78 Cb 1.02 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 2npt h MET 78 CO 0.09 0.49 0.26 -0.22 1.06 0.00 0.00 176.91 178.60 2npt h LYS 79 N 0.76 0.51 -0.53 1.72 3.64 -0.90 -0.66 116.57 121.13 2npt h LYS 79 Ca 0.33 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 2npt h LYS 79 Cb 0.20 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2npt h LYS 79 CO -0.18 0.34 -0.01 0.00 -2.27 0.00 0.00 179.45 177.32 2npt h ALA 80 N 1.16 0.99 0.44 5.00 0.00 -1.14 -0.95 119.26 124.76 2npt h ALA 80 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2npt h ALA 80 Cb -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2npt h ALA 80 CO -0.05 0.62 -0.21 1.98 0.00 0.00 0.00 179.25 181.59 2npt h MET 81 N 0.83 -0.56 -0.99 0.00 1.85 -0.95 -2.12 114.93 112.99 2npt h MET 81 Ca 0.15 0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.33 2npt h MET 81 Cb 0.51 0.13 -0.06 0.00 0.43 0.00 0.00 31.60 32.61 2npt h MET 81 CO 0.03 -0.37 0.65 -0.07 -0.40 0.00 0.00 176.91 176.75 2npt h LEU 82 N -0.60 1.06 -0.43 3.39 3.38 -0.98 0.33 115.31 121.46 2npt h LEU 82 Ca -0.06 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2npt h LEU 82 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2npt h LEU 82 CO 0.10 0.70 0.26 -1.28 0.09 0.00 0.00 178.44 178.31 2npt h SER 83 N 1.21 0.44 -0.21 -0.43 0.87 -1.09 0.63 113.55 114.97 2npt h SER 83 Ca 0.41 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2npt h SER 83 Cb 0.08 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2npt h SER 83 CO -0.14 0.31 0.06 0.22 -0.53 0.00 0.00 176.83 176.75 2npt h TYR 84 N 0.53 0.35 -0.22 2.24 3.20 -1.03 -1.93 116.97 120.11 2npt h TYR 84 Ca 0.16 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.02 2npt h TYR 84 Cb -0.02 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2npt h TYR 84 CO -0.06 0.43 0.05 -0.92 -1.64 0.00 0.00 178.16 176.02 2npt h TYR 85 N 0.17 0.09 0.00 -3.82 3.20 -0.62 -2.01 116.97 113.98 2npt h TYR 85 Ca 0.07 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2npt h TYR 85 Cb 0.25 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2npt h TYR 85 CO 0.01 0.03 -0.30 1.88 -1.64 0.00 0.00 178.16 178.14 2npt h TYR 86 N 0.14 0.00 -0.71 -3.82 0.05 -0.77 -0.51 116.97 111.35 2npt h TYR 86 Ca 0.10 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2npt h TYR 86 Cb 0.09 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 2npt h TYR 86 CO -0.14 0.30 0.44 0.77 -1.05 0.00 0.00 178.16 178.48 2npt h SER 87 N 0.00 0.71 -0.21 3.88 0.02 -0.67 -0.90 113.55 116.39 2npt h SER 87 Ca -0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2npt h SER 87 Cb 0.64 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2npt h SER 87 CO 0.04 0.48 -0.11 0.71 -1.14 0.00 0.00 176.83 176.81 2npt h THR 88 N 0.84 1.24 -0.31 -2.27 1.35 -0.46 -1.87 112.91 111.43 2npt h THR 88 Ca 0.29 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.06 2npt h THR 88 Cb 0.06 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 2npt h THR 88 CO -0.13 0.35 0.10 0.58 -0.25 0.00 0.00 175.52 176.18 2npt h VAL 89 N 0.55 1.20 -0.65 6.82 2.07 -0.99 -0.09 116.25 125.16 2npt h VAL 89 Ca 0.10 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2npt h VAL 89 Cb 0.52 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2npt h VAL 89 CO 0.03 0.22 0.43 -0.03 0.02 0.00 0.00 177.57 178.24 2npt h MET 90 N 0.35 0.86 -0.44 1.57 4.05 -0.91 0.42 114.93 120.83 2npt h MET 90 Ca 0.10 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2npt h MET 90 Cb 0.24 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2npt h MET 90 CO -0.00 0.58 0.27 1.49 0.23 0.00 0.00 176.91 179.48 2npt h GLU 91 N 0.88 0.60 -0.38 0.39 4.81 -1.08 -1.84 114.58 117.95 2npt h GLU 91 Ca 0.24 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2npt h GLU 91 Cb -0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2npt h GLU 91 CO -0.05 0.43 0.14 1.96 -0.73 0.00 0.00 179.01 180.76 2npt h GLN 92 N 0.59 0.57 -0.46 1.92 4.20 -0.69 -1.61 115.11 119.64 2npt h GLN 92 Ca 0.16 -0.11 0.09 0.00 0.06 0.00 0.00 58.65 58.85 2npt h GLN 92 Cb -0.02 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.60 2npt h GLN 92 CO -0.03 0.56 -0.00 1.96 -0.67 0.00 0.00 178.83 180.64 2npt h GLN 93 N 0.46 0.11 -0.01 1.46 4.20 -0.70 -0.36 115.11 120.27 2npt h GLN 93 Ca 0.12 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 2npt h GLN 93 Cb 0.21 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2npt h GLN 93 CO -0.01 0.07 -0.61 -0.39 -0.67 0.00 0.00 178.83 177.22 2npt h VAL 94 N 0.11 1.43 -0.35 -0.54 -1.51 -1.13 -2.87 116.25 111.39 2npt h VAL 94 Ca 0.23 -2.08 0.00 0.00 -1.23 0.00 0.00 66.70 63.62 2npt h VAL 94 Cb 0.34 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2npt h VAL 94 CO -0.38 0.60 0.00 0.59 -1.23 0.00 0.00 177.57 177.14 2npt n ASN 95 N -3.82 2.84 -2.54 4.19 5.03 -0.62 -4.91 115.26 115.43 2npt n ASN 95 Ca -0.01 -2.26 -0.21 0.00 0.87 0.00 0.00 54.58 52.97 2npt n ASN 95 Cb 0.61 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2npt n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2npt n GLY 96 N 0.70 -0.49 3.95 7.41 0.00 -1.03 -5.00 105.19 110.74 2npt n GLY 96 Ca 0.14 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2npt n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2npt s GLN 97 N -5.24 3.45 0.29 1.61 1.11 -0.17 -5.05 119.66 115.65 2npt s GLN 97 Ca 0.10 -0.50 -0.28 0.00 0.01 0.00 0.00 55.36 54.68 2npt s GLN 97 Cb -0.04 -2.74 -0.09 0.00 -1.01 0.00 0.00 33.01 29.13 2npt s GLN 97 CO 0.12 0.23 1.00 -0.48 0.01 0.00 0.00 175.29 176.17 2npt s LEU 98 N -4.21 4.50 -0.33 2.90 0.05 -1.26 -4.46 118.68 115.87 2npt s LEU 98 Ca 0.38 2.04 -0.29 0.00 0.05 0.00 0.00 54.13 56.31 2npt s LEU 98 Cb -0.09 -3.76 0.00 0.00 -2.05 0.00 0.00 46.19 40.29 2npt s LEU 98 CO 0.34 -0.06 1.33 -0.63 -0.55 0.00 0.00 176.35 176.78 2npt s ILE 99 N -1.31 4.08 0.32 1.48 -1.09 -1.26 -4.98 121.20 118.43 2npt s ILE 99 Ca 0.46 1.19 -0.27 0.00 -2.23 0.00 0.00 60.65 59.79 2npt s ILE 99 Cb -0.26 -4.18 -0.09 0.00 -1.58 0.00 0.00 42.46 36.35 2npt s ILE 99 CO 0.33 -0.56 1.01 -1.61 -1.23 0.00 0.00 174.94 172.88 2npt s GLU 100 N 4.38 4.53 0.92 2.79 0.41 -1.26 -5.06 118.70 125.41 2npt s GLU 100 Ca 0.57 1.54 -0.12 0.00 -0.41 0.00 0.00 54.97 56.56 2npt s GLU 100 Cb -0.16 -2.92 0.14 0.00 -1.78 0.00 0.00 34.13 29.42 2npt s GLU 100 CO 0.26 0.19 1.09 -1.25 -0.49 0.00 0.00 175.26 175.05 2npt s PRO 101 N -1.86 1.06 -0.29 0.39 0.04 -1.26 -4.98 135.00 128.09 2npt s PRO 101 Ca 0.49 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 2npt s PRO 101 Cb -0.24 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2npt s PRO 101 CO 0.31 -2.39 1.10 -1.17 0.04 0.00 0.00 177.00 174.89 2npt s LEU 102 N -6.33 3.97 -0.21 -3.56 2.96 -0.26 -4.79 118.68 110.45 2npt s LEU 102 Ca 0.64 1.16 -0.13 0.00 -0.22 0.00 0.00 54.13 55.57 2npt s LEU 102 Cb -0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2npt s LEU 102 CO 0.58 -0.86 0.28 -1.58 -1.32 0.00 0.00 176.35 173.45 2npt s GLN 103 N 3.62 4.14 0.20 1.98 0.74 -1.26 -0.10 119.66 128.98 2npt s GLN 103 Ca 0.47 -0.01 0.09 0.00 0.05 0.00 0.00 55.36 55.95 2npt s GLN 103 Cb -0.14 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 2npt s GLN 103 CO 0.15 0.04 -0.17 0.96 -0.55 0.00 0.00 175.29 175.71 2npt s ILE 104 N 1.09 1.91 -0.17 -2.34 -4.36 -0.31 -4.52 121.20 112.49 2npt s ILE 104 Ca 0.14 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 2npt s ILE 104 Cb -0.14 -1.99 0.04 0.00 1.25 0.00 0.00 42.46 41.62 2npt s ILE 104 CO 0.06 -0.42 -0.04 -0.36 0.24 0.00 0.00 174.94 174.41 2npt s PHE 105 N -2.43 1.69 0.62 1.37 0.08 0.12 -1.17 117.98 118.27 2npt s PHE 105 Ca 0.20 -1.10 -0.18 0.00 0.12 0.00 0.00 56.93 55.97 2npt s PHE 105 Cb -0.04 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2npt s PHE 105 CO 0.08 -0.62 1.25 -2.14 -0.10 0.00 0.00 175.22 173.69 2npt s PRO 106 N 1.64 2.74 -0.02 0.24 0.02 -1.26 -0.40 135.00 137.96 2npt s PRO 106 Ca 0.00 1.94 0.01 0.00 0.02 0.00 0.00 61.00 62.96 2npt s PRO 106 Cb -0.16 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.50 2npt s PRO 106 CO -0.08 -1.42 -0.01 0.50 -0.33 0.00 0.00 177.00 175.67 2npt s ARG 107 N -3.38 0.27 0.00 5.54 3.52 -0.03 -4.81 118.95 120.06 2npt s ARG 107 Ca 0.80 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 2npt s ARG 107 Cb -0.34 -0.38 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 2npt s ARG 107 CO 0.37 -0.07 0.40 0.00 -0.81 0.00 0.00 175.30 175.19