#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxl s GLN 2 N 0.00 4.00 -0.19 0.54 0.74 -1.26 -5.11 119.66 118.39 2nxl s GLN 2 Ca 0.00 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.10 2nxl s GLN 2 Cb 0.00 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.75 2nxl s GLN 2 CO 0.00 0.14 -0.17 0.42 -0.55 0.00 0.00 175.29 175.13 2nxl s ILE 3 N 0.77 2.27 0.76 -2.34 1.01 -1.26 -5.12 121.20 117.30 2nxl s ILE 3 Ca 0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 2nxl s ILE 3 Cb -0.13 -1.98 0.09 0.00 0.01 0.00 0.00 42.46 40.45 2nxl s ILE 3 CO 0.02 0.50 1.09 0.42 0.00 0.00 0.00 174.94 176.97 2nxl s THR 4 N 1.31 2.17 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.38 2nxl s THR 4 Ca 0.05 -0.21 0.17 0.00 -1.18 0.00 0.00 61.69 60.51 2nxl s THR 4 Cb -0.13 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.06 2nxl s THR 4 CO -0.11 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.31 2nxl n LEU 5 N -3.11 2.34 0.23 4.79 4.77 -1.26 -4.59 117.00 120.18 2nxl n LEU 5 Ca 0.10 -3.19 0.12 0.00 -0.03 0.00 0.00 56.01 53.00 2nxl n LEU 5 Cb 0.60 -0.43 0.39 0.00 -2.33 0.00 0.00 43.42 41.65 2nxl n LEU 5 CO 0.51 0.84 0.82 -0.50 -1.33 0.00 0.00 177.39 177.73 2nxl h TRP 6 N 0.22 0.00 -2.45 -1.77 6.55 -2.07 -3.43 115.95 113.00 2nxl h TRP 6 Ca -0.00 0.00 -0.55 0.00 0.95 0.00 0.00 58.89 59.29 2nxl h TRP 6 Cb 1.02 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.18 2nxl h TRP 6 CO 0.17 0.13 -0.74 0.15 -1.05 0.00 0.00 178.44 177.10 2nxl s LYS 7 N -3.45 1.56 0.23 0.49 -0.14 -1.26 -5.11 119.74 112.06 2nxl s LYS 7 Ca 0.03 -1.72 -0.31 0.00 -1.36 0.00 0.00 55.97 52.60 2nxl s LYS 7 Cb 0.08 -1.49 -0.14 0.00 -1.68 0.00 0.00 37.83 34.60 2nxl s LYS 7 CO 0.63 0.24 1.40 0.54 -0.76 0.00 0.00 175.35 177.40 2nxl n ARG 8 N -0.55 1.97 -1.98 1.68 1.74 -1.26 -4.86 116.66 113.40 2nxl n ARG 8 Ca -0.06 0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 2nxl n ARG 8 Cb 0.61 -2.35 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 2nxl n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nxl n PRO 9 N 2.07 2.65 -3.18 5.56 -0.04 -1.26 -4.94 135.00 135.85 2nxl n PRO 9 Ca 0.12 -2.72 -0.39 0.00 -0.04 0.00 0.00 63.50 60.48 2nxl n PRO 9 Cb 0.31 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 2nxl n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nxl s LEU 10 N 3.72 4.41 0.12 1.53 1.43 -1.26 -1.10 118.68 127.53 2nxl s LEU 10 Ca 0.53 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 2nxl s LEU 10 Cb 0.09 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2nxl s LEU 10 CO 0.02 0.07 -0.05 0.68 0.23 0.00 0.00 176.35 177.30 2nxl s VAL 11 N -0.07 0.75 0.05 -1.59 -7.23 0.74 -4.93 120.40 108.12 2nxl s VAL 11 Ca 0.32 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 58.26 2nxl s VAL 11 Cb -0.18 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2nxl s VAL 11 CO 0.17 -0.77 0.83 -0.89 -0.31 0.00 0.00 175.10 174.13 2nxl s THR 12 N -3.60 4.70 0.24 5.32 2.01 -1.26 -0.25 115.64 122.80 2nxl s THR 12 Ca 0.15 1.76 0.11 0.00 0.31 0.00 0.00 61.69 64.03 2nxl s THR 12 Cb 0.05 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2nxl s THR 12 CO -0.02 0.33 -0.21 0.27 -0.69 0.00 0.00 174.62 174.30 2nxl s ILE 13 N 0.09 2.32 -0.11 1.82 -4.36 0.11 -2.14 121.20 118.93 2nxl s ILE 13 Ca 0.42 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 2nxl s ILE 13 Cb -0.21 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2nxl s ILE 13 CO 0.25 -0.33 -0.23 -0.60 0.24 0.00 0.00 174.94 174.27 2nxl s ARG 14 N -3.22 3.03 -0.15 0.37 3.52 -0.36 -1.12 118.95 121.02 2nxl s ARG 14 Ca 0.25 -0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 54.86 2nxl s ARG 14 Cb -0.06 -2.34 0.04 0.00 -1.56 0.00 0.00 34.95 31.04 2nxl s ARG 14 CO 0.12 0.11 0.40 -1.50 -0.81 0.00 0.00 175.30 173.62 2nxl s ILE 15 N 0.50 -0.01 -1.17 4.11 2.07 0.33 -1.74 121.20 125.29 2nxl s ILE 15 Ca -0.15 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 2nxl s ILE 15 Cb -0.17 -0.56 0.02 0.00 0.13 0.00 0.00 42.46 41.87 2nxl s ILE 15 CO 0.05 0.01 0.15 0.61 -1.91 0.00 0.00 174.94 173.86 2nxl n GLY 16 N 3.22 -0.50 2.97 1.50 0.00 -1.26 -0.36 105.19 110.75 2nxl n GLY 16 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2nxl n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxl n GLY 17 N -0.95 1.51 3.67 -0.02 0.00 -1.26 -5.03 105.19 103.11 2nxl n GLY 17 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2nxl n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nxl s GLN 18 N -0.01 2.72 0.04 1.61 -1.52 0.51 -5.09 119.66 117.92 2nxl s GLN 18 Ca 0.00 -0.66 -0.15 0.00 -1.95 0.00 0.00 55.36 52.60 2nxl s GLN 18 Cb 0.00 -2.62 -0.06 0.00 -0.22 0.00 0.00 33.01 30.10 2nxl s GLN 18 CO 0.00 0.61 0.46 -0.51 -0.25 0.00 0.00 175.29 175.60 2nxl s LEU 19 N -1.65 4.46 0.15 2.90 1.43 -1.26 -0.51 118.68 124.19 2nxl s LEU 19 Ca 0.20 1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 54.26 2nxl s LEU 19 Cb -0.11 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 2nxl s LEU 19 CO 0.11 0.27 0.22 -0.54 0.23 0.00 0.00 176.35 176.64 2nxl s LYS 20 N -1.29 1.06 -0.13 1.70 1.02 -0.27 -4.98 119.74 116.85 2nxl s LYS 20 Ca 0.28 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 2nxl s LYS 20 Cb -0.17 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 2nxl s LYS 20 CO 0.16 -0.37 -0.03 -2.00 -0.92 0.00 0.00 175.35 172.20 2nxl s GLU 21 N -3.97 3.47 0.08 1.68 2.56 -1.26 0.10 118.70 121.36 2nxl s GLU 21 Ca 0.17 -0.49 0.02 0.00 0.00 0.00 0.00 54.97 54.66 2nxl s GLU 21 Cb 0.04 -2.88 -0.04 0.00 2.00 0.00 0.00 34.13 33.26 2nxl s GLU 21 CO -0.01 0.38 -0.06 0.00 -0.56 0.00 0.00 175.26 175.00 2nxl s ALA 22 N 0.00 0.84 -0.25 6.30 0.00 0.66 -4.51 121.76 124.80 2nxl s ALA 22 Ca 0.01 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.68 2nxl s ALA 22 Cb -0.13 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2nxl s ALA 22 CO 0.02 -0.20 0.11 -1.17 0.00 0.00 0.00 175.76 174.52 2nxl s LEU 23 N -2.70 3.67 -0.36 0.00 2.96 0.83 -0.19 118.68 122.90 2nxl s LEU 23 Ca 0.06 -0.11 -0.29 0.00 -0.22 0.00 0.00 54.13 53.58 2nxl s LEU 23 Cb 0.02 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2nxl s LEU 23 CO -0.04 -0.01 1.40 -0.76 -1.32 0.00 0.00 176.35 175.62 2nxl s LEU 24 N 1.50 3.70 -0.38 -0.68 1.43 -0.26 -0.95 118.68 123.04 2nxl s LEU 24 Ca 0.06 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2nxl s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2nxl s LEU 24 CO 0.06 -1.31 0.13 0.21 0.23 0.00 0.00 176.35 175.66 2nxl s ASN 25 N 3.63 4.30 0.04 2.29 3.84 -0.43 -4.77 114.94 123.85 2nxl s ASN 25 Ca 0.61 -2.24 0.19 0.00 0.21 0.00 0.00 52.86 51.63 2nxl s ASN 25 Cb -0.16 -1.32 0.79 0.00 -0.55 0.00 0.00 41.25 40.02 2nxl s ASN 25 CO 0.29 -0.35 1.60 0.35 -2.79 0.00 0.00 177.10 176.21 2nxl n THR 26 N 4.10 0.77 0.17 -5.21 -2.24 -1.26 -2.28 114.28 108.32 2nxl n THR 26 Ca 0.03 0.18 0.07 0.00 -2.27 0.00 0.00 64.05 62.06 2nxl n THR 26 Cb 0.39 -0.91 0.24 0.00 -2.10 0.00 0.00 70.33 67.95 2nxl n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxl n GLY 27 N 0.34 1.75 3.25 3.38 0.00 -1.26 -4.85 105.19 107.79 2nxl n GLY 27 Ca 0.04 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2nxl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxl s ALA 28 N -1.62 2.51 0.24 4.61 0.00 -0.97 -5.00 121.76 121.53 2nxl s ALA 28 Ca 0.35 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2nxl s ALA 28 Cb 0.21 -1.27 0.29 0.00 0.00 0.00 0.00 23.12 22.34 2nxl s ALA 28 CO 0.19 -0.12 1.70 -0.44 0.00 0.00 0.00 175.76 177.09 2nxl h ASP 29 N 7.48 0.73 -2.20 0.00 3.32 -1.89 0.60 116.42 124.47 2nxl h ASP 29 Ca -0.35 -0.22 -0.58 0.00 0.02 0.00 0.00 57.03 55.90 2nxl h ASP 29 Cb 1.18 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 2nxl h ASP 29 CO 0.58 0.88 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.53 2nxl s ASP 30 N -6.71 3.41 -0.21 6.45 1.01 -1.26 -2.68 116.67 116.68 2nxl s ASP 30 Ca -0.09 -1.29 -0.11 0.00 0.71 0.00 0.00 52.55 51.77 2nxl s ASP 30 Cb 0.14 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.72 2nxl s ASP 30 CO 0.82 -0.39 0.18 -0.89 0.21 0.00 0.00 175.17 175.09 2nxl s THR 31 N -2.83 5.37 -0.08 -1.27 2.01 -1.26 -3.51 115.64 114.07 2nxl s THR 31 Ca 0.34 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2nxl s THR 31 Cb 0.07 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 69.09 2nxl s THR 31 CO 0.16 0.39 -0.03 0.54 -0.69 0.00 0.00 174.62 174.99 2nxl s VAL 32 N 0.71 0.61 0.10 3.82 0.11 -0.59 -0.83 120.40 124.32 2nxl s VAL 32 Ca 0.09 -0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2nxl s VAL 32 Cb -0.12 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2nxl s VAL 32 CO 0.02 0.29 0.08 -0.76 -3.33 0.00 0.00 175.10 171.40 2nxl s LEU 33 N 1.73 3.76 0.76 2.54 1.43 0.14 -1.29 118.68 127.75 2nxl s LEU 33 Ca 0.02 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 2nxl s LEU 33 Cb -0.13 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2nxl s LEU 33 CO -0.05 0.15 0.56 -0.62 0.23 0.00 0.00 176.35 176.61 2nxl n GLU 34 N 0.27 0.22 -1.61 1.70 1.02 -1.26 -1.56 120.64 119.42 2nxl n GLU 34 Ca -0.09 0.12 -0.54 0.00 -0.02 0.00 0.00 57.16 56.63 2nxl n GLU 34 Cb 0.52 -1.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 2nxl n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nxl n GLU 35 N -1.03 1.03 -3.58 3.49 4.07 -1.15 -4.53 120.64 118.94 2nxl n GLU 35 Ca 0.10 0.37 -0.08 0.00 -0.06 0.00 0.00 57.16 57.49 2nxl n GLU 35 Cb 0.50 -2.01 -0.02 0.00 -0.06 0.00 0.00 31.44 29.85 2nxl n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nxl s MET 36 N 1.18 1.09 0.03 5.31 0.23 -1.26 -5.03 119.30 120.86 2nxl s MET 36 Ca 0.89 -0.49 -0.28 0.00 -1.03 0.00 0.00 55.69 54.78 2nxl s MET 36 Cb -1.02 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 32.69 2nxl s MET 36 CO 0.53 -0.49 0.87 -0.80 -2.03 0.00 0.00 175.02 173.10 2nxl s ASN 37 N -2.69 7.29 0.06 -1.18 0.02 -1.26 -5.03 114.94 112.15 2nxl s ASN 37 Ca 0.07 1.56 0.07 0.00 -1.02 0.00 0.00 52.86 53.54 2nxl s ASN 37 Cb -0.02 -2.52 -0.03 0.00 0.02 0.00 0.00 41.25 38.71 2nxl s ASN 37 CO -0.06 -0.12 -0.20 -0.76 0.02 0.00 0.00 177.10 175.98 2nxl s LEU 38 N 0.48 2.20 0.57 0.60 1.43 -1.26 -5.00 118.68 117.70 2nxl s LEU 38 Ca 0.45 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 2nxl s LEU 38 Cb -0.21 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 2nxl s LEU 38 CO 0.25 0.13 1.14 -2.84 0.23 0.00 0.00 176.35 175.27 2nxl s PRO 39 N -1.33 3.19 0.17 1.29 0.02 -1.26 -4.90 135.00 132.18 2nxl s PRO 39 Ca 0.07 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.71 2nxl s PRO 39 Cb -0.09 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2nxl s PRO 39 CO 0.02 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 2nxl n GLY 40 N 0.15 -2.68 3.80 0.52 0.00 -1.26 -4.98 105.19 100.73 2nxl n GLY 40 Ca 0.12 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2nxl n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxl s LYS 41 N -0.45 4.43 0.19 1.61 0.00 -1.26 -5.08 119.74 119.18 2nxl s LYS 41 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 55.97 57.20 2nxl s LYS 41 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 37.83 35.14 2nxl s LYS 41 CO 0.00 0.21 -0.06 1.67 0.00 0.00 0.00 175.35 177.18 2nxl s TRP 42 N -1.76 1.44 -0.05 1.78 1.48 -1.26 -4.60 118.94 115.97 2nxl s TRP 42 Ca 0.52 -0.82 0.05 0.00 -1.06 0.00 0.00 56.10 54.79 2nxl s TRP 42 Cb -0.16 -0.78 -0.01 0.00 -1.16 0.00 0.00 33.47 31.36 2nxl s TRP 42 CO 0.20 0.04 -0.22 0.15 -4.06 0.00 0.00 176.95 173.07 2nxl s LYS 43 N -3.80 2.30 0.28 3.25 -0.14 -0.35 -4.89 119.74 116.40 2nxl s LYS 43 Ca 0.23 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.74 2nxl s LYS 43 Cb 0.04 -1.96 -0.10 0.00 -1.68 0.00 0.00 37.83 34.13 2nxl s LYS 43 CO 0.05 0.33 1.41 -2.14 -0.76 0.00 0.00 175.35 174.24 2nxl s PRO 44 N -0.08 4.28 0.12 -1.68 0.02 -1.26 0.00 135.00 136.40 2nxl s PRO 44 Ca -0.04 2.29 -0.06 0.00 0.02 0.00 0.00 61.00 63.21 2nxl s PRO 44 Cb -0.13 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 2nxl s PRO 44 CO 0.03 -0.37 0.16 0.21 -0.33 0.00 0.00 177.00 176.70 2nxl s LYS 45 N -0.82 0.93 0.02 5.54 2.20 -0.14 -4.87 119.74 122.60 2nxl s LYS 45 Ca 0.56 -1.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.06 2nxl s LYS 45 Cb -0.42 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.19 2nxl s LYS 45 CO 0.47 -0.29 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.30 2nxl s MET 46 N -3.95 1.62 0.07 4.03 -1.94 -1.26 -0.69 119.30 117.18 2nxl s MET 46 Ca 0.14 -0.88 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 2nxl s MET 46 Cb 0.05 -1.66 -0.03 0.00 2.01 0.00 0.00 34.83 35.20 2nxl s MET 46 CO -0.04 0.44 -0.12 0.96 -0.01 0.00 0.00 175.02 176.25 2nxl s ILE 47 N -0.66 0.96 0.29 2.53 -4.36 -0.92 -4.99 121.20 114.05 2nxl s ILE 47 Ca 0.08 -1.33 0.12 0.00 -0.26 0.00 0.00 60.65 59.26 2nxl s ILE 47 Cb -0.09 -1.04 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 2nxl s ILE 47 CO 0.01 -0.33 -0.19 -0.83 0.24 0.00 0.00 174.94 173.84 2nxl s GLY 48 N -1.87 1.92 0.00 6.27 0.00 -1.26 -1.28 107.32 111.10 2nxl s GLY 48 Ca -0.02 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2nxl s GLY 48 CO 0.01 -1.97 0.00 0.61 0.00 0.00 0.00 173.10 171.75 2nxl n GLY 49 N -0.64 2.69 3.74 0.20 0.00 -0.50 -4.98 105.19 105.70 2nxl n GLY 49 Ca -0.05 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2nxl n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nxl s ILE 50 N -1.27 3.21 0.00 -0.61 1.01 -1.26 -2.19 121.20 120.09 2nxl s ILE 50 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.64 2nxl s ILE 50 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2nxl s ILE 50 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2nxl n GLY 51 N 2.46 1.06 0.00 6.18 0.00 -1.26 -4.95 105.19 108.69 2nxl n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2nxl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxl n GLY 52 N -2.00 -0.00 3.73 -0.02 0.00 -0.93 -5.04 105.19 100.92 2nxl n GLY 52 Ca 0.00 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 2nxl n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nxl s PHE 53 N 0.00 2.98 0.11 1.61 0.40 -1.26 -1.41 117.98 120.41 2nxl s PHE 53 Ca 0.00 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 2nxl s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2nxl s PHE 53 CO 0.00 0.52 -0.11 0.96 0.70 0.00 0.00 175.22 177.29 2nxl s ILE 54 N -1.75 1.03 0.04 0.64 -4.36 -0.41 -4.99 121.20 111.40 2nxl s ILE 54 Ca 0.29 -1.71 -0.22 0.00 -0.26 0.00 0.00 60.65 58.75 2nxl s ILE 54 Cb -0.10 -1.45 -0.06 0.00 1.25 0.00 0.00 42.46 42.10 2nxl s ILE 54 CO 0.21 -0.57 0.66 -0.54 0.24 0.00 0.00 174.94 174.94 2nxl s LYS 55 N -2.91 4.38 0.15 0.37 1.02 -1.26 -2.17 119.74 119.32 2nxl s LYS 55 Ca 0.07 0.88 0.01 0.00 0.02 0.00 0.00 55.97 56.95 2nxl s LYS 55 Cb -0.02 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2nxl s LYS 55 CO 0.00 0.39 -0.00 0.14 -0.92 0.00 0.00 175.35 174.97 2nxl s VAL 56 N -0.35 0.58 -0.21 3.17 -7.23 0.14 -4.39 120.40 112.12 2nxl s VAL 56 Ca 0.34 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.47 2nxl s VAL 56 Cb -0.20 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2nxl s VAL 56 CO 0.20 -0.56 0.09 -0.13 -0.31 0.00 0.00 175.10 174.40 2nxl s ARG 57 N -3.92 3.96 -0.30 4.82 0.52 0.16 -0.96 118.95 123.22 2nxl s ARG 57 Ca 0.21 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.94 2nxl s ARG 57 Cb 0.06 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 2nxl s ARG 57 CO 0.02 0.14 0.33 -1.14 0.02 0.00 0.00 175.30 174.67 2nxl s GLN 58 N 0.75 3.82 -0.19 3.54 0.74 0.10 -0.82 119.66 127.60 2nxl s GLN 58 Ca 0.05 -0.22 -0.05 0.00 0.05 0.00 0.00 55.36 55.19 2nxl s GLN 58 Cb -0.13 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 2nxl s GLN 58 CO 0.02 -0.36 0.01 0.71 -0.55 0.00 0.00 175.29 175.12 2nxl s TYR 59 N 1.99 3.08 0.25 1.67 1.51 -0.49 -1.21 117.35 124.16 2nxl s TYR 59 Ca 0.12 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 2nxl s TYR 59 Cb -0.16 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2nxl s TYR 59 CO 0.11 -0.12 0.43 -0.51 -1.11 0.00 0.00 175.55 174.35 2nxl s ASP 60 N 0.79 6.35 -1.43 2.29 1.01 -1.26 -0.66 116.67 123.76 2nxl s ASP 60 Ca 0.01 0.37 -0.08 0.00 0.71 0.00 0.00 52.55 53.56 2nxl s ASP 60 Cb -0.14 -1.99 0.05 0.00 1.01 0.00 0.00 42.92 41.84 2nxl s ASP 60 CO 0.02 -0.12 0.87 1.67 0.21 0.00 0.00 175.17 177.82 2nxl n GLN 61 N -1.12 -5.37 -3.43 8.23 7.27 -1.12 -4.87 117.38 116.97 2nxl n GLN 61 Ca -0.05 0.62 -0.38 0.00 0.07 0.00 0.00 57.00 57.25 2nxl n GLN 61 Cb 0.55 -5.37 -0.09 0.00 2.41 0.00 0.00 30.24 27.75 2nxl n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2nxl s ILE 62 N -3.46 5.21 0.26 1.69 -1.09 0.39 -4.65 121.20 119.54 2nxl s ILE 62 Ca 0.38 0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 59.06 2nxl s ILE 62 Cb -0.19 -3.68 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 2nxl s ILE 62 CO 0.82 0.22 1.29 -2.84 -1.23 0.00 0.00 174.94 173.20 2nxl s PRO 63 N 1.65 4.40 -0.12 2.79 0.02 -1.26 -1.84 135.00 140.65 2nxl s PRO 63 Ca 0.15 2.09 -0.07 0.00 0.02 0.00 0.00 61.00 63.19 2nxl s PRO 63 Cb -0.15 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.26 2nxl s PRO 63 CO 0.08 -0.18 0.28 -1.50 -0.33 0.00 0.00 177.00 175.36 2nxl s ILE 64 N -0.48 -0.02 -0.24 2.83 2.07 0.05 -4.47 121.20 120.94 2nxl s ILE 64 Ca 0.53 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.75 2nxl s ILE 64 Cb -0.37 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.74 2nxl s ILE 64 CO 0.44 0.04 0.16 -0.70 -1.91 0.00 0.00 174.94 172.97 2nxl s GLU 65 N 0.89 4.07 -0.23 3.50 2.12 -0.71 -0.57 118.70 127.77 2nxl s GLU 65 Ca -0.06 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.00 2nxl s GLU 65 Cb -0.07 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.81 2nxl s GLU 65 CO -0.06 0.06 -0.11 0.42 -0.54 0.00 0.00 175.26 175.03 2nxl s ILE 66 N 1.07 2.54 0.00 -3.70 1.01 0.71 -1.22 121.20 121.60 2nxl s ILE 66 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.63 2nxl s ILE 66 Cb -0.14 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.07 2nxl s ILE 66 CO 0.05 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.24 2nxl n GLY 68 N 0.00 3.28 3.82 0.00 0.00 -1.26 -4.82 105.19 106.22 2nxl n GLY 68 Ca 0.00 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2nxl n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nxl s HIS 69 N -1.95 3.54 -0.03 1.61 4.02 -0.59 -5.07 115.29 116.82 2nxl s HIS 69 Ca 0.37 0.49 -0.17 0.00 1.02 0.00 0.00 55.06 56.77 2nxl s HIS 69 Cb 0.26 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.58 29.72 2nxl s HIS 69 CO 0.15 0.56 0.48 -1.59 1.02 0.00 0.00 174.74 175.36 2nxl s LYS 70 N -0.50 4.17 0.06 1.40 0.00 -1.26 -0.21 119.74 123.39 2nxl s LYS 70 Ca 0.13 0.52 0.02 0.00 0.00 0.00 0.00 55.97 56.64 2nxl s LYS 70 Cb -0.12 -3.31 -0.03 0.00 0.00 0.00 0.00 37.83 34.37 2nxl s LYS 70 CO 0.02 0.46 -0.07 0.00 0.00 0.00 0.00 175.35 175.76 2nxl s ALA 71 N -0.38 0.66 -0.11 0.59 0.00 0.26 -4.69 121.76 118.08 2nxl s ALA 71 Ca 0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2nxl s ALA 71 Cb -0.17 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.09 2nxl s ALA 71 CO 0.14 -0.10 0.07 0.42 0.00 0.00 0.00 175.76 176.29 2nxl s ILE 72 N -2.08 -0.04 0.00 0.00 1.01 -1.26 -0.77 121.20 118.07 2nxl s ILE 72 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2nxl s ILE 72 Cb -0.05 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2nxl s ILE 72 CO -0.01 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2nxl n GLY 73 N 5.27 1.46 3.69 6.18 0.00 -0.77 -4.75 105.19 116.27 2nxl n GLY 73 Ca -0.05 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2nxl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxl s THR 74 N -2.57 4.28 -0.12 2.61 2.01 -1.26 -0.46 115.64 120.12 2nxl s THR 74 Ca 0.00 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.62 2nxl s THR 74 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2nxl s THR 74 CO 0.00 0.00 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.09 2nxl s VAL 75 N 2.17 1.55 0.01 3.82 1.01 0.17 -4.40 120.40 124.73 2nxl s VAL 75 Ca 0.55 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2nxl s VAL 75 Cb -0.24 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2nxl s VAL 75 CO 0.22 0.45 0.34 -0.76 0.00 0.00 0.00 175.10 175.35 2nxl s LEU 76 N 1.15 4.40 -0.09 3.92 1.43 -0.01 -1.39 118.68 128.08 2nxl s LEU 76 Ca -0.03 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2nxl s LEU 76 Cb -0.14 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.42 2nxl s LEU 76 CO -0.05 0.27 -0.12 -0.69 0.23 0.00 0.00 176.35 176.00 2nxl s VAL 77 N -1.23 1.22 -0.18 -1.59 1.01 -0.00 0.28 120.40 119.92 2nxl s VAL 77 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2nxl s VAL 77 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2nxl s VAL 77 CO 0.14 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2nxl n GLY 78 N 4.26 -0.95 2.23 4.51 0.00 -0.60 -0.67 105.19 113.97 2nxl n GLY 78 Ca -0.19 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2nxl n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nxl n PRO 79 N 0.00 2.90 -2.35 1.61 -0.04 -1.26 -2.93 135.00 132.93 2nxl n PRO 79 Ca 0.00 -1.88 -0.38 0.00 -0.04 0.00 0.00 63.50 61.20 2nxl n PRO 79 Cb 0.00 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 2nxl n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nxl s THR 80 N 0.57 3.27 0.46 0.52 -1.32 -1.26 -4.95 115.64 112.92 2nxl s THR 80 Ca 0.65 1.08 0.11 0.00 -1.21 0.00 0.00 61.69 62.32 2nxl s THR 80 Cb 0.27 -3.61 0.27 0.00 -1.51 0.00 0.00 72.50 67.93 2nxl s THR 80 CO -0.07 0.11 2.09 -0.65 -2.21 0.00 0.00 174.62 173.89 2nxl h PRO 81 N 2.78 0.32 -3.08 7.08 0.11 -1.96 -3.44 132.00 133.80 2nxl h PRO 81 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2nxl h PRO 81 Cb 1.23 -0.07 -0.20 0.00 0.11 0.00 0.00 31.00 32.06 2nxl h PRO 81 CO 0.63 0.21 -0.30 0.54 -0.21 0.00 0.00 178.00 178.87 2nxl s VAL 82 N -5.32 0.06 0.08 3.15 0.11 -1.26 -5.08 120.40 112.14 2nxl s VAL 82 Ca -0.07 -0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 2nxl s VAL 82 Cb 0.17 -0.59 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 2nxl s VAL 82 CO 0.71 -0.26 1.88 0.20 -3.33 0.00 0.00 175.10 174.29 2nxl s ASN 83 N -1.28 6.44 -0.11 3.54 0.01 -1.26 -4.69 114.94 117.58 2nxl s ASN 83 Ca -0.13 2.71 0.02 0.00 -0.71 0.00 0.00 52.86 54.74 2nxl s ASN 83 Cb -0.05 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2nxl s ASN 83 CO 0.04 -1.02 -0.16 -0.63 -1.51 0.00 0.00 177.10 173.81 2nxl s ILE 84 N 3.48 1.59 -0.27 0.60 1.01 -0.41 -0.12 121.20 127.09 2nxl s ILE 84 Ca 0.84 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 2nxl s ILE 84 Cb -0.44 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2nxl s ILE 84 CO 0.38 0.46 0.26 -0.63 0.00 0.00 0.00 174.94 175.41 2nxl s ILE 85 N 0.94 5.26 0.57 2.92 -1.09 -0.12 -1.55 121.20 128.13 2nxl s ILE 85 Ca -0.07 0.33 0.09 0.00 -2.23 0.00 0.00 60.65 58.77 2nxl s ILE 85 Cb -0.15 -3.59 0.08 0.00 -1.58 0.00 0.00 42.46 37.21 2nxl s ILE 85 CO -0.01 0.22 0.70 -0.83 -1.23 0.00 0.00 174.94 173.79 2nxl s GLY 86 N 1.65 1.89 0.40 6.18 0.00 -1.23 -1.32 107.32 114.89 2nxl s GLY 86 Ca 0.10 -1.93 0.11 0.00 0.00 0.00 0.00 44.72 43.01 2nxl s GLY 86 CO 0.10 -1.76 1.94 3.21 0.00 0.00 0.00 173.10 176.60 2nxl h ARG 87 N 0.31 0.53 -0.59 2.90 3.08 -0.91 -0.52 114.38 119.19 2nxl h ARG 87 Ca -0.31 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 59.83 2nxl h ARG 87 Cb 1.29 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2nxl h ARG 87 CO 0.45 0.35 0.40 -2.95 -1.07 0.00 0.00 179.97 177.15 2nxl h ASN 88 N 0.55 0.24 0.01 7.04 -1.07 -1.77 -1.54 115.58 119.04 2nxl h ASN 88 Ca 0.33 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.36 2nxl h ASN 88 Cb 0.56 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.70 2nxl h ASN 88 CO -0.11 0.14 -2.36 0.18 0.07 0.00 0.00 177.43 175.35 2nxl n LEU 89 N -4.45 0.01 -0.19 6.14 4.77 -0.59 -4.13 117.00 118.56 2nxl n LEU 89 Ca 0.10 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2nxl n LEU 89 Cb 0.47 0.47 0.23 0.00 -2.33 0.00 0.00 43.42 42.25 2nxl n LEU 89 CO 0.35 0.47 1.15 -0.07 -1.33 0.00 0.00 177.39 177.96 2nxl h LEU 90 N 0.00 0.84 -1.01 2.23 3.38 -0.65 -1.34 115.31 118.76 2nxl h LEU 90 Ca -0.52 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 2nxl h LEU 90 Cb 2.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 2nxl h LEU 90 CO 0.03 0.67 0.01 0.71 0.09 0.00 0.00 178.44 179.95 2nxl h THR 91 N 0.95 1.23 -0.14 0.22 1.35 -1.49 -1.31 112.91 113.71 2nxl h THR 91 Ca 0.24 -0.93 -0.10 0.00 -0.55 0.00 0.00 66.41 65.07 2nxl h THR 91 Cb 0.02 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2nxl h THR 91 CO -0.04 0.33 -0.34 1.56 -0.25 0.00 0.00 175.52 176.77 2nxl h GLN 92 N 0.68 0.29 -0.21 4.72 4.20 -1.41 -2.19 115.11 121.20 2nxl h GLN 92 Ca 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2nxl h GLN 92 Cb 0.41 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2nxl h GLN 92 CO 0.01 0.61 0.00 0.44 -0.67 0.00 0.00 178.83 179.22 2nxl n ILE 93 N -4.08 0.26 -1.61 2.54 -5.35 -1.01 -4.94 119.36 105.18 2nxl n ILE 93 Ca -0.01 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2nxl n ILE 93 Cb 0.44 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 2nxl n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nxl n GLY 94 N 1.21 0.56 3.74 3.28 0.00 -0.82 -5.02 105.19 108.14 2nxl n GLY 94 Ca 0.17 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2nxl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxl s THR 96 N -0.07 1.20 0.04 0.00 -4.23 -1.26 -4.65 115.64 106.68 2nxl s THR 96 Ca 0.39 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 2nxl s THR 96 Cb -0.21 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 71.69 2nxl s THR 96 CO 0.23 -0.72 0.42 -0.76 -0.54 0.00 0.00 174.62 173.26 2nxl s LEU 97 N -3.19 4.42 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.76 2nxl s LEU 97 Ca 0.18 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2nxl s LEU 97 Cb 0.02 -2.78 0.03 0.00 0.03 0.00 0.00 46.19 43.49 2nxl s LEU 97 CO 0.01 0.26 0.03 0.20 0.23 0.00 0.00 176.35 177.08 2nxl s ASN 98 N -1.35 0.05 0.00 2.29 0.01 -1.26 -5.29 114.94 109.39 2nxl s ASN 98 Ca 0.28 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 2nxl s ASN 98 Cb -0.16 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.46 2nxl s ASN 98 CO 0.15 -0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.85