#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nhe s GLN 2 N 0.00 3.01 0.29 3.17 -2.07 -1.26 -0.50 119.66 122.30 3nhe s GLN 2 Ca 0.00 -0.41 0.03 0.00 -1.82 0.00 0.00 55.36 53.16 3nhe s GLN 2 Cb 0.00 -2.80 -0.06 0.00 -1.09 0.00 0.00 33.01 29.06 3nhe s GLN 2 CO 0.00 0.69 0.05 0.96 -1.32 0.00 0.00 175.29 175.67 3nhe s ILE 3 N -0.83 1.02 0.19 3.63 -4.36 -0.73 -0.26 121.20 119.85 3nhe s ILE 3 Ca 0.13 -2.01 0.11 0.00 -0.26 0.00 0.00 60.65 58.62 3nhe s ILE 3 Cb -0.11 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 3nhe s ILE 3 CO 0.02 -0.08 -0.24 -0.36 0.24 0.00 0.00 174.94 174.52 3nhe s PHE 4 N -3.43 2.27 -0.11 1.37 0.08 -0.30 -0.82 117.98 117.03 3nhe s PHE 4 Ca 0.35 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.03 3nhe s PHE 4 Cb 0.08 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 3nhe s PHE 4 CO 0.13 0.47 -0.10 0.08 -0.10 0.00 0.00 175.22 175.71 3nhe s VAL 5 N -1.64 1.17 -0.44 -0.44 1.01 -0.36 -0.33 120.40 119.36 3nhe s VAL 5 Ca 0.20 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 3nhe s VAL 5 Cb -0.08 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3nhe s VAL 5 CO 0.09 0.39 0.98 -0.75 0.00 0.00 0.00 175.10 175.82 3nhe s LYS 6 N 1.50 3.67 0.00 2.72 2.47 -0.23 -1.15 119.74 128.72 3nhe s LYS 6 Ca 0.02 0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.82 3nhe s LYS 6 Cb -0.13 -3.89 0.00 0.00 -1.46 0.00 0.00 37.83 32.35 3nhe s LYS 6 CO -0.07 -1.19 0.00 0.25 0.16 0.00 0.00 175.35 174.50 3nhe n THR 7 N 6.40 0.00 0.04 3.43 -2.24 -0.46 -1.78 114.28 119.68 3nhe n THR 7 Ca 0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 3nhe n THR 7 Cb 0.48 -1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.45 3nhe n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3nhe h LEU 8 N 0.00 0.00 -1.34 3.22 3.38 -1.84 -3.39 115.31 115.35 3nhe h LEU 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3nhe h LEU 8 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3nhe h LEU 8 CO 0.00 0.99 0.00 0.35 0.09 0.00 0.00 178.44 179.87 3nhe n THR 9 N -3.29 0.06 0.00 0.22 -2.24 -1.26 -4.97 114.28 102.80 3nhe n THR 9 Ca -0.03 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3nhe n THR 9 Cb 0.96 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.27 3nhe n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nhe n GLY 10 N 0.32 1.29 3.87 3.38 0.00 -1.26 -5.14 105.19 107.64 3nhe n GLY 10 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3nhe n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nhe s LYS 11 N 0.00 3.68 -0.02 1.61 1.02 -1.26 -4.91 119.74 119.86 3nhe s LYS 11 Ca 0.00 0.68 0.08 0.00 0.02 0.00 0.00 55.97 56.75 3nhe s LYS 11 Cb 0.00 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3nhe s LYS 11 CO 0.00 -0.39 -0.26 0.99 -0.92 0.00 0.00 175.35 174.77 3nhe s THR 12 N -2.91 2.04 0.26 2.17 2.01 -1.26 -1.35 115.64 116.61 3nhe s THR 12 Ca 0.54 -1.12 0.10 0.00 0.31 0.00 0.00 61.69 61.52 3nhe s THR 12 Cb -0.11 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 3nhe s THR 12 CO 0.45 0.57 -0.02 0.27 -0.69 0.00 0.00 174.62 175.20 3nhe s ILE 13 N -0.62 3.37 -0.14 1.82 -4.36 -0.30 -4.96 121.20 116.01 3nhe s ILE 13 Ca 0.10 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.54 3nhe s ILE 13 Cb -0.10 -2.79 -0.01 0.00 1.25 0.00 0.00 42.46 40.81 3nhe s ILE 13 CO -0.01 -0.37 -0.12 -0.89 0.24 0.00 0.00 174.94 173.79 3nhe s THR 14 N -2.31 3.05 0.00 8.37 2.01 -1.26 -1.23 115.64 124.27 3nhe s THR 14 Ca 0.31 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3nhe s THR 14 Cb -0.06 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3nhe s THR 14 CO 0.19 0.51 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.77 3nhe s LEU 15 N 0.53 2.94 -0.26 4.42 1.43 -0.00 -5.00 118.68 122.74 3nhe s LEU 15 Ca -0.08 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 3nhe s LEU 15 Cb -0.16 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3nhe s LEU 15 CO 0.04 0.29 0.21 -0.70 0.23 0.00 0.00 176.35 176.42 3nhe s GLU 16 N -1.29 4.02 0.11 1.70 2.56 -1.26 -1.77 118.70 122.77 3nhe s GLU 16 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.97 54.87 3nhe s GLU 16 Cb -0.11 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.38 3nhe s GLU 16 CO 0.05 -0.09 0.07 0.14 -0.56 0.00 0.00 175.26 174.87 3nhe s VAL 17 N 1.51 0.13 0.22 3.70 -7.23 0.35 -4.95 120.40 114.12 3nhe s VAL 17 Ca 0.09 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 3nhe s VAL 17 Cb -0.15 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3nhe s VAL 17 CO 0.08 -0.57 0.03 -1.61 -0.31 0.00 0.00 175.10 172.72 3nhe s GLU 18 N -4.00 2.46 0.56 4.82 0.41 -1.26 -0.01 118.70 121.68 3nhe s GLU 18 Ca 0.18 -1.19 0.27 0.00 -0.41 0.00 0.00 54.97 53.82 3nhe s GLU 18 Cb 0.07 -2.33 1.47 0.00 -1.78 0.00 0.00 34.13 31.56 3nhe s GLU 18 CO -0.02 0.42 1.99 -1.35 -0.49 0.00 0.00 175.26 175.80 3nhe h PRO 19 N 2.24 0.00 0.00 0.39 0.11 -1.97 -0.57 132.00 132.20 3nhe h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3nhe h PRO 19 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3nhe h PRO 19 CO 0.59 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 3nhe n SER 20 N -4.08 0.00 -4.69 -2.05 3.41 -1.26 -0.79 113.62 104.16 3nhe n SER 20 Ca 0.08 -0.03 -0.45 0.00 -0.26 0.00 0.00 58.87 58.22 3nhe n SER 20 Cb 0.58 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3nhe n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3nhe n ASP 21 N -1.32 3.40 -4.81 4.04 9.92 -0.22 -4.76 116.55 122.79 3nhe n ASP 21 Ca 0.13 1.08 -0.31 0.00 -0.53 0.00 0.00 54.79 55.16 3nhe n ASP 21 Cb 0.25 -1.48 0.06 0.00 -0.64 0.00 0.00 41.12 39.32 3nhe n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3nhe s THR 22 N 0.97 3.75 0.34 -3.53 -4.23 -1.26 -1.39 115.64 110.29 3nhe s THR 22 Ca 0.77 0.57 0.02 0.00 -1.18 0.00 0.00 61.69 61.87 3nhe s THR 22 Cb -0.62 -3.27 0.23 0.00 1.34 0.00 0.00 72.50 70.19 3nhe s THR 22 CO 0.36 -0.74 1.96 0.40 -0.54 0.00 0.00 174.62 176.06 3nhe h ILE 23 N -0.85 1.17 -0.50 2.99 1.08 -1.29 -1.49 117.51 118.63 3nhe h ILE 23 Ca -0.44 -0.44 0.04 0.00 -0.39 0.00 0.00 64.86 63.62 3nhe h ILE 23 Cb 1.22 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 3nhe h ILE 23 CO 0.56 0.19 0.26 -0.33 -0.69 0.00 0.00 178.15 178.15 3nhe h GLU 24 N 0.79 0.49 -0.40 2.37 3.07 -1.88 0.11 114.58 119.13 3nhe h GLU 24 Ca 0.20 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.09 3nhe h GLU 24 Cb 0.03 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.78 3nhe h GLU 24 CO -0.03 0.33 0.11 -0.91 -1.40 0.00 0.00 179.01 177.11 3nhe h ASN 25 N 0.51 0.08 -0.29 1.42 2.35 -1.71 -0.47 115.58 117.47 3nhe h ASN 25 Ca 0.22 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3nhe h ASN 25 Cb 0.11 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3nhe h ASN 25 CO -0.15 0.08 0.15 0.58 -1.65 0.00 0.00 177.43 176.44 3nhe h VAL 26 N 0.26 1.14 -0.85 2.81 2.07 -0.87 -1.40 116.25 119.41 3nhe h VAL 26 Ca 0.19 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3nhe h VAL 26 Cb 0.20 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3nhe h VAL 26 CO -0.22 0.14 0.56 0.11 0.02 0.00 0.00 177.57 178.19 3nhe h LYS 27 N 0.34 1.11 -0.71 1.57 1.57 -0.74 -0.82 116.57 118.89 3nhe h LYS 27 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3nhe h LYS 27 Cb 0.09 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3nhe h LYS 27 CO -0.01 0.74 0.33 0.00 -0.57 0.00 0.00 179.45 179.93 3nhe h ALA 28 N 1.47 0.92 -0.42 3.86 0.00 -0.72 0.29 119.26 124.67 3nhe h ALA 28 Ca 0.31 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3nhe h ALA 28 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3nhe h ALA 28 CO -0.07 0.50 -0.09 0.87 0.00 0.00 0.00 179.25 180.46 3nhe h LYS 29 N 1.01 0.73 -0.50 0.00 1.57 -0.65 -0.42 116.57 118.31 3nhe h LYS 29 Ca 0.24 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3nhe h LYS 29 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3nhe h LYS 29 CO -0.03 0.81 0.05 0.82 -0.57 0.00 0.00 179.45 180.53 3nhe h ILE 30 N 0.67 1.25 -0.89 1.86 2.04 -0.87 -2.99 117.51 118.58 3nhe h ILE 30 Ca 0.12 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3nhe h ILE 30 Cb 0.55 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3nhe h ILE 30 CO 0.03 0.35 0.52 -0.61 0.00 0.00 0.00 178.15 178.44 3nhe h GLN 31 N 0.71 1.21 -0.95 2.37 4.15 -0.53 0.17 115.11 122.23 3nhe h GLN 31 Ca 0.15 -0.12 0.17 0.00 0.77 0.00 0.00 58.65 59.61 3nhe h GLN 31 Cb 0.44 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 3nhe h GLN 31 CO 0.01 0.86 0.60 -0.44 -1.93 0.00 0.00 178.83 177.94 3nhe h ASP 32 N 1.22 0.71 0.15 -0.69 3.32 -0.95 -0.06 116.42 120.11 3nhe h ASP 32 Ca 0.32 0.06 -0.36 0.00 0.02 0.00 0.00 57.03 57.07 3nhe h ASP 32 Cb -0.03 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3nhe h ASP 32 CO -0.06 0.31 -2.07 0.29 -1.72 0.00 0.00 179.24 175.99 3nhe n LYS 33 N -4.63 0.72 -0.00 3.56 5.02 -0.90 -4.69 118.16 117.23 3nhe n LYS 33 Ca 0.20 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.78 3nhe n LYS 33 Cb 0.52 -1.67 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 3nhe n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3nhe n GLU 34 N -3.34 1.12 -2.06 1.97 -0.58 0.54 -5.01 120.64 113.29 3nhe n GLU 34 Ca -0.33 -0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.20 3nhe n GLU 34 Cb 1.04 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 30.68 3nhe n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nhe n GLY 35 N 1.69 0.19 3.52 0.62 0.00 -0.05 -5.01 105.19 106.14 3nhe n GLY 35 Ca -0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 3nhe n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nhe s ILE 36 N -2.63 4.63 0.45 -0.61 1.01 -1.26 -5.06 121.20 117.73 3nhe s ILE 36 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 3nhe s ILE 36 Cb 0.00 -3.16 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 3nhe s ILE 36 CO 0.00 0.34 1.34 -2.84 0.00 0.00 0.00 174.94 173.78 3nhe s PRO 37 N 1.41 3.72 0.37 2.79 0.02 -1.26 -4.12 135.00 137.93 3nhe s PRO 37 Ca 0.06 2.22 0.14 0.00 0.02 0.00 0.00 61.00 63.44 3nhe s PRO 37 Cb -0.15 -2.61 0.99 0.00 0.02 0.00 0.00 34.50 32.75 3nhe s PRO 37 CO 0.05 -0.72 1.79 -1.35 -0.33 0.00 0.00 177.00 176.44 3nhe h PRO 38 N 2.31 0.49 0.00 5.54 0.11 -1.95 -0.42 132.00 138.08 3nhe h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3nhe h PRO 38 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3nhe h PRO 38 CO 0.61 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 3nhe n ASP 39 N -4.65 0.00 -0.03 -2.05 5.68 -1.26 -2.03 116.55 112.20 3nhe n ASP 39 Ca 0.24 0.18 0.07 0.00 -0.50 0.00 0.00 54.79 54.77 3nhe n ASP 39 Cb 0.75 -0.34 -0.16 0.00 -1.14 0.00 0.00 41.12 40.22 3nhe n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3nhe n GLN 40 N -1.34 0.67 -2.74 0.11 1.13 -0.18 -5.01 117.38 110.02 3nhe n GLN 40 Ca 0.06 -0.16 -0.40 0.00 -1.94 0.00 0.00 57.00 54.57 3nhe n GLN 40 Cb 0.14 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.94 3nhe n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3nhe s GLN 41 N -3.26 4.81 -0.05 -1.09 -0.21 -0.86 -4.52 119.66 114.47 3nhe s GLN 41 Ca -0.08 1.49 0.04 0.00 0.02 0.00 0.00 55.36 56.83 3nhe s GLN 41 Cb 0.12 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.83 3nhe s GLN 41 CO 0.85 0.43 -0.16 1.03 -2.12 0.00 0.00 175.29 175.31 3nhe s ARG 42 N -0.87 1.88 -0.17 2.91 0.52 -0.14 -5.01 118.95 118.07 3nhe s ARG 42 Ca 0.43 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3nhe s ARG 42 Cb -0.25 -1.58 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3nhe s ARG 42 CO 0.32 0.18 -0.18 -0.51 0.02 0.00 0.00 175.30 175.12 3nhe s LEU 43 N 0.24 2.25 -0.14 2.53 1.43 -1.26 -1.16 118.68 122.56 3nhe s LEU 43 Ca -0.08 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 3nhe s LEU 43 Cb -0.13 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3nhe s LEU 43 CO 0.03 0.02 -0.04 -0.63 0.23 0.00 0.00 176.35 175.97 3nhe s ILE 44 N 1.16 3.91 -0.06 -0.59 -1.09 -0.33 -0.88 121.20 123.33 3nhe s ILE 44 Ca 0.02 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3nhe s ILE 44 Cb -0.14 -2.70 0.04 0.00 -1.58 0.00 0.00 42.46 38.08 3nhe s ILE 44 CO -0.08 0.51 0.12 0.12 -1.23 0.00 0.00 174.94 174.38 3nhe s PHE 45 N 0.20 -0.12 -1.42 3.97 5.36 -0.13 -0.85 117.98 124.99 3nhe s PHE 45 Ca -0.02 0.42 -0.11 0.00 -0.96 0.00 0.00 56.93 56.26 3nhe s PHE 45 Cb -0.14 -0.14 0.08 0.00 -0.34 0.00 0.00 43.02 42.47 3nhe s PHE 45 CO 0.03 -0.16 0.65 0.00 -1.46 0.00 0.00 175.22 174.28 3nhe n ALA 46 N 4.34 -1.12 -0.28 11.12 0.00 -1.26 -0.83 120.51 132.48 3nhe n ALA 46 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3nhe n ALA 46 Cb 0.51 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.55 3nhe n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nhe n GLY 47 N -1.36 2.14 3.78 0.00 0.00 -1.26 -5.02 105.19 103.46 3nhe n GLY 47 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3nhe n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nhe s LYS 48 N -0.11 4.04 -0.21 1.61 1.02 -0.01 -5.06 119.74 121.03 3nhe s LYS 48 Ca 0.00 0.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.83 3nhe s LYS 48 Cb 0.00 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 3nhe s LYS 48 CO 0.00 0.43 0.87 -1.14 -0.92 0.00 0.00 175.35 174.59 3nhe s GLN 49 N -0.11 4.25 0.25 1.68 0.74 -1.26 -0.96 119.66 124.25 3nhe s GLN 49 Ca 0.17 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.34 3nhe s GLN 49 Cb -0.13 -3.61 -0.09 0.00 1.10 0.00 0.00 33.01 30.27 3nhe s GLN 49 CO 0.05 -0.46 1.18 -0.51 -0.55 0.00 0.00 175.29 175.01 3nhe s LEU 50 N 2.61 4.49 -0.09 3.68 1.43 -0.06 -5.01 118.68 125.74 3nhe s LEU 50 Ca 0.38 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3nhe s LEU 50 Cb -0.16 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 3nhe s LEU 50 CO 0.09 -0.31 -0.08 -1.61 0.23 0.00 0.00 176.35 174.67 3nhe s GLU 51 N -1.00 2.93 0.35 1.70 2.02 -1.26 -4.71 118.70 118.72 3nhe s GLU 51 Ca 0.49 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.63 3nhe s GLU 51 Cb -0.34 -2.61 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 3nhe s GLU 51 CO 0.41 0.54 1.06 -0.25 0.02 0.00 0.00 175.26 177.04 3nhe n ASP 52 N 2.60 1.57 0.00 -0.19 8.00 -1.26 -2.31 116.55 124.97 3nhe n ASP 52 Ca -0.18 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.45 3nhe n ASP 52 Cb 0.53 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 3nhe n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nhe n GLY 53 N 1.12 3.33 3.97 0.44 0.00 -1.26 -5.01 105.19 107.77 3nhe n GLY 53 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3nhe n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nhe s ARG 54 N -0.66 3.23 0.38 1.61 0.52 -0.98 -4.94 118.95 118.10 3nhe s ARG 54 Ca 0.00 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 3nhe s ARG 54 Cb 0.00 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 3nhe s ARG 54 CO 0.00 0.08 0.26 0.95 0.02 0.00 0.00 175.30 176.61 3nhe s THR 55 N -2.24 2.90 0.28 0.02 -4.23 -1.26 -0.94 115.64 110.18 3nhe s THR 55 Ca 0.43 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 3nhe s THR 55 Cb -0.10 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.98 3nhe s THR 55 CO 0.33 -0.09 1.94 -0.07 -0.54 0.00 0.00 174.62 176.19 3nhe h LEU 56 N 1.29 1.01 -1.33 4.79 3.38 -1.13 -2.39 115.31 120.93 3nhe h LEU 56 Ca -0.43 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3nhe h LEU 56 Cb 1.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3nhe h LEU 56 CO 0.61 0.70 0.39 -1.28 0.09 0.00 0.00 178.44 178.96 3nhe h SER 57 N 1.17 0.74 -0.49 -0.43 0.87 -1.23 -1.90 113.55 112.28 3nhe h SER 57 Ca 0.35 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 3nhe h SER 57 Cb -0.04 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 3nhe h SER 57 CO -0.10 0.56 0.33 0.44 -0.53 0.00 0.00 176.83 177.53 3nhe h ASP 58 N 0.87 0.44 -0.20 6.23 3.32 -1.71 -1.42 116.42 123.95 3nhe h ASP 58 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3nhe h ASP 58 Cb -0.06 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3nhe h ASP 58 CO -0.05 0.30 0.00 -1.22 -1.72 0.00 0.00 179.24 176.55 3nhe n TYR 59 N -4.47 0.24 -3.90 4.55 4.01 -0.79 -4.95 117.16 111.85 3nhe n TYR 59 Ca 0.06 -0.12 -0.29 0.00 -0.16 0.00 0.00 57.90 57.39 3nhe n TYR 59 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 3nhe n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3nhe n ASN 60 N 0.96 -3.87 -4.63 7.72 3.02 -0.54 -4.94 115.26 112.98 3nhe n ASN 60 Ca 0.17 -0.81 -0.43 0.00 -0.03 0.00 0.00 54.58 53.49 3nhe n ASN 60 Cb 0.49 -3.82 -0.03 0.00 -0.61 0.00 0.00 39.78 35.82 3nhe n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3nhe s ILE 61 N -3.40 4.64 0.46 2.41 1.01 -0.79 -5.03 121.20 120.50 3nhe s ILE 61 Ca 0.52 1.57 0.08 0.00 0.00 0.00 0.00 60.65 62.82 3nhe s ILE 61 Cb -0.26 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 37.92 3nhe s ILE 61 CO 0.84 -0.36 0.48 -1.10 0.00 0.00 0.00 174.94 174.80 3nhe s GLN 62 N 3.34 2.50 0.24 2.79 -1.52 -1.26 -4.67 119.66 121.08 3nhe s GLN 62 Ca 0.40 -1.59 -0.30 0.00 -1.95 0.00 0.00 55.36 51.92 3nhe s GLN 62 Cb -0.13 -2.43 -0.14 0.00 -0.22 0.00 0.00 33.01 30.08 3nhe s GLN 62 CO 0.13 -0.38 1.21 0.36 -0.25 0.00 0.00 175.29 176.36 3nhe n LYS 63 N -1.74 1.59 -0.96 2.91 2.85 -1.26 -2.23 118.16 119.31 3nhe n LYS 63 Ca 0.05 0.56 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 3nhe n LYS 63 Cb 0.62 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 3nhe n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3nhe n GLU 64 N 1.42 -0.70 -1.39 -1.58 1.02 0.64 -5.00 120.64 115.06 3nhe n GLU 64 Ca 0.11 0.17 -0.34 0.00 -0.02 0.00 0.00 57.16 57.08 3nhe n GLU 64 Cb 0.30 -3.76 0.10 0.00 -0.02 0.00 0.00 31.44 28.06 3nhe n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3nhe s SER 65 N -2.10 4.08 -0.14 1.62 0.01 -0.95 -4.73 113.70 111.49 3nhe s SER 65 Ca 0.00 2.40 0.01 0.00 1.31 0.00 0.00 55.95 59.66 3nhe s SER 65 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3nhe s SER 65 CO 0.00 -2.34 -0.16 -0.89 0.41 0.00 0.00 173.24 170.26 3nhe s THR 66 N -1.94 2.71 0.06 1.44 2.01 -1.26 -1.15 115.64 117.51 3nhe s THR 66 Ca 0.75 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 3nhe s THR 66 Cb -0.30 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.02 3nhe s THR 66 CO 0.46 0.52 0.42 -0.76 -0.69 0.00 0.00 174.62 174.57 3nhe s LEU 67 N 0.61 4.39 -0.33 4.42 1.43 0.55 -4.79 118.68 124.96 3nhe s LEU 67 Ca -0.09 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3nhe s LEU 67 Cb -0.16 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.20 3nhe s LEU 67 CO 0.03 0.22 0.14 -1.00 0.23 0.00 0.00 176.35 175.97 3nhe s HIS 68 N -1.29 3.21 -0.11 0.29 3.76 -0.03 -1.06 115.29 120.04 3nhe s HIS 68 Ca 0.30 -0.97 -0.24 0.00 -0.15 0.00 0.00 55.06 54.00 3nhe s HIS 68 Cb -0.15 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 3nhe s HIS 68 CO 0.16 -0.60 0.77 -1.17 -0.85 0.00 0.00 174.74 173.05 3nhe s LEU 69 N 1.52 4.25 0.04 0.89 2.96 -0.73 -1.18 118.68 126.42 3nhe s LEU 69 Ca 0.02 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3nhe s LEU 69 Cb -0.18 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 3nhe s LEU 69 CO 0.05 -0.25 -0.04 0.68 -1.32 0.00 0.00 176.35 175.47 3nhe s VAL 70 N 1.45 0.23 0.00 1.68 -7.23 -0.31 -4.60 120.40 111.62 3nhe s VAL 70 Ca 0.38 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3nhe s VAL 70 Cb -0.17 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.00 3nhe s VAL 70 CO 0.16 -0.66 0.00 0.18 -0.31 0.00 0.00 175.10 174.47 3nhe n LEU 71 N 1.04 0.00 -4.04 1.32 4.77 -1.26 -0.97 117.00 117.86 3nhe n LEU 71 Ca -0.20 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.60 3nhe n LEU 71 Cb 0.57 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 3nhe n LEU 71 CO 0.23 0.00 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.73 3nhe s ARG 72 N 4.18 0.72 -0.66 3.23 0.52 -1.26 -4.84 118.95 120.84 3nhe s ARG 72 Ca 0.00 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 54.72 3nhe s ARG 72 Cb 0.00 -0.68 0.17 0.00 0.52 0.00 0.00 34.95 34.96 3nhe s ARG 72 CO 0.00 0.18 0.50 -0.51 0.02 0.00 0.00 175.30 175.49 3nhe s LEU 73 N -0.51 5.56 0.21 2.53 1.43 -1.26 -5.08 118.68 121.56 3nhe s LEU 73 Ca 0.02 -2.79 -0.30 0.00 -1.03 0.00 0.00 54.13 50.03 3nhe s LEU 73 Cb -0.05 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3nhe s LEU 73 CO 0.00 -0.42 1.29 -0.13 0.23 0.00 0.00 176.35 177.32 3nhe s ARG 74 N 0.03 4.41 0.03 1.70 0.52 -1.26 -5.01 118.95 119.36 3nhe s ARG 74 Ca 0.17 2.03 -0.18 0.00 -0.52 0.00 0.00 55.73 57.23 3nhe s ARG 74 Cb -0.18 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.13 3nhe s ARG 74 CO -0.04 -0.21 0.40 0.20 0.02 0.00 0.00 175.30 175.66 3nhe s GLY 75 N 0.22 -0.26 0.00 -3.53 0.00 -1.26 -5.35 107.32 97.14 3nhe s GLY 75 Ca 0.55 0.35 0.22 0.00 0.00 0.00 0.00 44.72 45.85 3nhe s GLY 75 CO 0.39 0.10 1.20 0.61 0.00 0.00 0.00 173.10 175.41