#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipf s ARG 23 N 0.00 4.33 0.16 3.52 3.52 -1.26 -4.71 118.95 124.51 3ipf s ARG 23 Ca 0.00 1.89 0.08 0.00 -0.13 0.00 0.00 55.73 57.57 3ipf s ARG 23 Cb 0.00 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 3ipf s ARG 23 CO 0.00 -0.48 -0.05 -0.65 -0.81 0.00 0.00 175.30 173.31 3ipf s GLN 24 N 1.95 2.25 -0.13 5.12 -0.21 0.65 -4.89 119.66 124.40 3ipf s GLN 24 Ca 0.62 -1.13 0.01 0.00 0.02 0.00 0.00 55.36 54.88 3ipf s GLN 24 Cb -0.31 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 3ipf s GLN 24 CO 0.27 0.46 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.67 3ipf s PHE 25 N -1.60 2.74 -0.08 0.91 0.08 -1.26 -1.31 117.98 117.45 3ipf s PHE 25 Ca 0.25 -0.85 0.02 0.00 0.12 0.00 0.00 56.93 56.47 3ipf s PHE 25 Cb -0.10 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 3ipf s PHE 25 CO 0.17 -0.33 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.65 3ipf s LEU 26 N 0.47 1.66 0.05 -0.37 0.20 0.32 -4.99 118.68 116.01 3ipf s LEU 26 Ca -0.12 -0.35 0.07 0.00 0.69 0.00 0.00 54.13 54.42 3ipf s LEU 26 Cb -0.16 -0.93 -0.02 0.00 -0.43 0.00 0.00 46.19 44.64 3ipf s LEU 26 CO 0.05 0.03 -0.19 -0.94 -0.29 0.00 0.00 176.35 175.01 3ipf s SER 27 N 0.80 2.21 -0.02 3.68 1.04 -1.26 -0.02 113.70 120.14 3ipf s SER 27 Ca -0.11 -0.51 -0.06 0.00 0.48 0.00 0.00 55.95 55.74 3ipf s SER 27 Cb -0.15 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.80 3ipf s SER 27 CO 0.02 0.11 0.13 -0.22 0.98 0.00 0.00 173.24 174.26 3ipf s LEU 28 N -1.21 1.56 0.53 2.42 0.20 -0.70 -5.01 118.68 116.47 3ipf s LEU 28 Ca 0.05 -0.05 0.06 0.00 0.69 0.00 0.00 54.13 54.88 3ipf s LEU 28 Cb -0.09 0.58 0.04 0.00 -0.43 0.00 0.00 46.19 46.29 3ipf s LEU 28 CO 0.02 -0.26 0.43 0.42 -0.29 0.00 0.00 176.35 176.67 3ipf s THR 29 N -0.88 1.79 -0.84 3.68 -4.23 -1.26 -1.47 115.64 112.42 3ipf s THR 29 Ca -0.10 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3ipf s THR 29 Cb -0.05 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.56 3ipf s THR 29 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3ipf n GLY 30 N -1.78 0.97 3.68 3.99 0.00 -0.37 -4.93 105.19 106.75 3ipf n GLY 30 Ca 0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 3ipf n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipf s VAL 31 N -2.30 5.23 -0.12 1.61 1.01 0.36 -3.64 120.40 122.55 3ipf s VAL 31 Ca 0.00 0.65 0.18 0.00 0.00 0.00 0.00 61.98 62.81 3ipf s VAL 31 Cb 0.00 -3.70 -0.27 0.00 0.00 0.00 0.00 36.38 32.41 3ipf s VAL 31 CO 0.00 0.29 0.44 -1.54 0.00 0.00 0.00 175.10 174.29 3ipf n SER 32 N 4.23 0.84 -3.60 3.32 3.41 -0.40 -4.34 113.62 117.07 3ipf n SER 32 Ca -0.09 -0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.30 3ipf n SER 32 Cb 0.51 1.73 -0.06 0.00 -0.26 0.00 0.00 64.21 66.13 3ipf n SER 32 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ipf s LYS 33 N -3.19 0.61 -0.34 4.33 2.20 -1.18 -5.00 119.74 117.16 3ipf s LYS 33 Ca -0.05 0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 55.82 3ipf s LYS 33 Cb 0.12 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 3ipf s LYS 33 CO 0.75 -0.13 0.40 0.08 -0.36 0.00 0.00 175.35 176.09 3ipf s VAL 34 N -0.39 5.13 0.08 4.02 1.01 -1.26 0.03 120.40 129.01 3ipf s VAL 34 Ca -0.00 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 3ipf s VAL 34 Cb -0.03 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 3ipf s VAL 34 CO -0.01 -0.10 1.19 -0.61 0.00 0.00 0.00 175.10 175.56 3ipf h GLN 35 N 8.44 0.69 -1.89 2.72 4.15 -1.02 -3.48 115.11 124.72 3ipf h GLN 35 Ca -0.29 -0.75 0.09 0.00 0.77 0.00 0.00 58.65 58.47 3ipf h GLN 35 Cb 1.14 0.22 -0.19 0.00 0.21 0.00 0.00 27.48 28.85 3ipf h GLN 35 CO 0.71 1.32 0.51 -1.54 -1.93 0.00 0.00 178.83 177.90 3ipf s SER 36 N -7.29 -0.38 -0.03 -0.69 1.04 -1.15 -4.94 113.70 100.26 3ipf s SER 36 Ca -0.10 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 3ipf s SER 36 Cb 0.07 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3ipf s SER 36 CO 0.92 -0.47 0.07 0.12 0.98 0.00 0.00 173.24 174.85 3ipf s PHE 37 N -2.00 -0.07 0.00 5.02 5.36 -1.26 -1.46 117.98 123.58 3ipf s PHE 37 Ca 0.01 0.19 -0.19 0.00 -0.96 0.00 0.00 56.93 55.98 3ipf s PHE 37 Cb -0.01 -0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.70 3ipf s PHE 37 CO -0.02 -0.05 0.42 0.34 -1.46 0.00 0.00 175.22 174.45 3ipf s ASP 38 N 0.22 -0.32 0.16 6.13 2.15 -0.29 -5.01 116.67 119.72 3ipf s ASP 38 Ca -0.02 0.17 0.10 0.00 0.43 0.00 0.00 52.55 53.23 3ipf s ASP 38 Cb -0.02 0.40 0.55 0.00 -0.30 0.00 0.00 42.92 43.55 3ipf s ASP 38 CO -0.01 -0.57 1.29 -2.65 -0.17 0.00 0.00 175.17 173.06 3ipf n PRO 39 N 0.88 0.07 0.00 4.34 -0.02 -1.26 -1.74 135.00 137.26 3ipf n PRO 39 Ca -0.20 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3ipf n PRO 39 Cb 0.58 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 3ipf n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ipf n LYS 40 N -1.85 2.23 -3.64 -0.52 5.02 -1.26 -0.48 118.16 117.66 3ipf n LYS 40 Ca -0.01 -0.54 -0.07 0.00 -2.02 0.00 0.00 58.31 55.67 3ipf n LYS 40 Cb 0.05 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3ipf n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ipf s GLU 41 N -1.57 0.67 -0.08 1.97 2.12 -0.71 -1.92 118.70 119.18 3ipf s GLU 41 Ca 0.09 1.08 0.02 0.00 0.36 0.00 0.00 54.97 56.52 3ipf s GLU 41 Cb 0.09 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.67 3ipf s GLU 41 CO 0.31 -0.13 -0.15 0.42 -0.54 0.00 0.00 175.26 175.17 3ipf s ILE 42 N 1.35 1.39 -0.19 -3.70 1.01 0.59 -1.13 121.20 120.52 3ipf s ILE 42 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 3ipf s ILE 42 Cb -0.05 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 3ipf s ILE 42 CO -0.15 0.41 -0.10 -0.76 0.00 0.00 0.00 174.94 174.34 3ipf s LEU 43 N 0.68 2.67 -0.05 2.97 1.43 -0.54 -0.75 118.68 125.10 3ipf s LEU 43 Ca -0.14 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3ipf s LEU 43 Cb -0.16 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3ipf s LEU 43 CO 0.04 0.04 -0.23 -0.76 0.23 0.00 0.00 176.35 175.67 3ipf s LEU 44 N 1.11 2.02 -0.15 1.79 1.43 -0.34 -0.31 118.68 124.23 3ipf s LEU 44 Ca 0.01 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 3ipf s LEU 44 Cb -0.14 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3ipf s LEU 44 CO -0.03 0.22 0.53 -1.61 0.23 0.00 0.00 176.35 175.69 3ipf s GLU 45 N -0.10 4.28 0.00 1.70 2.02 0.10 -0.47 118.70 126.23 3ipf s GLU 45 Ca -0.04 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3ipf s GLU 45 Cb -0.13 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.60 3ipf s GLU 45 CO 0.03 -0.01 0.00 -2.37 0.02 0.00 0.00 175.26 172.94 3ipf n THR 46 N 4.11 0.00 -0.21 3.63 5.66 0.04 -1.28 114.28 126.23 3ipf n THR 46 Ca -0.05 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.90 3ipf n THR 46 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3ipf n THR 46 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3ipf h ILE 47 N 0.45 0.15 -0.47 1.09 1.08 -1.94 -2.85 117.51 115.02 3ipf h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3ipf h ILE 47 Cb 0.00 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 3ipf h ILE 47 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 3ipf n GLN 48 N -5.43 2.42 0.00 2.37 1.13 -1.26 -5.05 117.38 111.56 3ipf n GLN 48 Ca 0.04 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.93 3ipf n GLN 48 Cb 0.36 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.21 3ipf n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ipf n GLY 49 N 1.48 0.57 3.80 1.08 0.00 -1.08 -4.83 105.19 106.22 3ipf n GLY 49 Ca 0.20 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 3ipf n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipf s VAL 50 N -3.22 5.41 -0.22 1.61 1.01 -1.26 -0.78 120.40 122.95 3ipf s VAL 50 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 3ipf s VAL 50 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3ipf s VAL 50 CO 0.00 0.54 0.11 -0.22 0.00 0.00 0.00 175.10 175.53 3ipf s LEU 51 N -0.41 3.85 -0.19 3.92 2.96 0.38 0.03 118.68 129.23 3ipf s LEU 51 Ca 0.12 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3ipf s LEU 51 Cb -0.12 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3ipf s LEU 51 CO 0.01 0.08 0.04 -0.55 -1.32 0.00 0.00 176.35 174.61 3ipf s SER 52 N 0.96 5.35 -0.21 3.68 0.15 -0.09 -1.20 113.70 122.34 3ipf s SER 52 Ca 0.05 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 3ipf s SER 52 Cb -0.14 -1.92 0.02 0.00 -1.71 0.00 0.00 66.02 62.28 3ipf s SER 52 CO 0.03 0.13 -0.14 -0.63 1.20 0.00 0.00 173.24 173.83 3ipf s ILE 53 N 0.61 2.43 0.12 6.45 1.01 0.07 -1.73 121.20 130.16 3ipf s ILE 53 Ca 0.02 -0.96 0.10 0.00 0.00 0.00 0.00 60.65 59.81 3ipf s ILE 53 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3ipf s ILE 53 CO 0.02 0.40 -0.22 -0.54 0.00 0.00 0.00 174.94 174.59 3ipf s LYS 54 N 1.31 1.61 0.00 2.79 1.02 -0.33 -0.30 119.74 125.84 3ipf s LYS 54 Ca 0.03 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.77 3ipf s LYS 54 Cb -0.15 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3ipf s LYS 54 CO -0.09 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 3ipf n GLY 55 N 0.90 -0.64 3.23 -3.33 0.00 -0.81 0.35 105.19 104.89 3ipf n GLY 55 Ca -0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3ipf n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ipf s GLU 56 N -1.49 0.81 -1.57 1.61 -1.05 0.28 -4.32 118.70 112.98 3ipf s GLU 56 Ca 0.00 -0.68 -0.14 0.00 -0.15 0.00 0.00 54.97 54.00 3ipf s GLU 56 Cb 0.00 0.34 0.10 0.00 -0.44 0.00 0.00 34.13 34.13 3ipf s GLU 56 CO 0.00 -0.26 0.88 1.63 0.95 0.00 0.00 175.26 178.46 3ipf n LYS 57 N 0.35 -4.67 -2.87 -4.83 5.02 -0.89 -1.33 118.16 108.95 3ipf n LYS 57 Ca -0.17 0.52 -0.33 0.00 -2.02 0.00 0.00 58.31 56.31 3ipf n LYS 57 Cb 0.60 -5.31 -0.06 0.00 -0.02 0.00 0.00 35.03 30.25 3ipf n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ipf s LEU 58 N -7.23 3.93 -0.07 -0.35 1.43 0.37 -4.26 118.68 112.49 3ipf s LEU 58 Ca 0.62 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 55.08 3ipf s LEU 58 Cb -0.32 -4.36 0.03 0.00 0.03 0.00 0.00 46.19 41.57 3ipf s LEU 58 CO 0.86 -0.34 0.36 -0.83 0.23 0.00 0.00 176.35 176.63 3ipf s GLY 59 N -2.38 -0.23 -0.25 -3.19 0.00 0.52 -4.36 107.32 97.44 3ipf s GLY 59 Ca 0.58 0.68 -0.18 0.00 0.00 0.00 0.00 44.72 45.81 3ipf s GLY 59 CO 0.18 0.49 0.50 -0.42 0.00 0.00 0.00 173.10 173.84 3ipf s ILE 60 N -0.71 5.09 -0.12 0.90 1.01 -1.26 -1.35 121.20 124.76 3ipf s ILE 60 Ca -0.08 0.86 0.20 0.00 0.00 0.00 0.00 60.65 61.62 3ipf s ILE 60 Cb -0.04 -3.81 -0.25 0.00 0.01 0.00 0.00 42.46 38.37 3ipf s ILE 60 CO 0.03 0.12 0.45 0.29 0.00 0.00 0.00 174.94 175.83 3ipf n LYS 61 N 5.31 0.66 -3.67 2.79 4.76 0.39 -4.97 118.16 123.42 3ipf n LYS 61 Ca -0.05 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.24 3ipf n LYS 61 Cb 0.50 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 3ipf n LYS 61 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3ipf s HIS 62 N -3.04 -0.71 -0.17 2.13 2.46 -1.11 -4.95 115.29 109.90 3ipf s HIS 62 Ca -0.07 1.67 -0.04 0.00 0.47 0.00 0.00 55.06 57.09 3ipf s HIS 62 Cb 0.10 0.28 0.08 0.00 -0.13 0.00 0.00 32.58 32.92 3ipf s HIS 62 CO 0.85 -0.35 0.24 -1.17 -2.47 0.00 0.00 174.74 171.85 3ipf s LEU 63 N 0.58 -0.22 -0.32 8.88 2.96 -1.26 -0.79 118.68 128.50 3ipf s LEU 63 Ca -0.02 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3ipf s LEU 63 Cb -0.05 0.56 0.10 0.00 0.50 0.00 0.00 46.19 47.30 3ipf s LEU 63 CO -0.03 -0.28 0.08 -0.62 -1.32 0.00 0.00 176.35 174.18 3ipf s ASP 64 N 2.38 4.26 0.55 3.68 -1.08 -0.11 -4.99 116.67 121.36 3ipf s ASP 64 Ca 0.05 -1.81 0.33 0.00 -0.52 0.00 0.00 52.55 50.60 3ipf s ASP 64 Cb -0.14 -1.10 1.54 0.00 -1.46 0.00 0.00 42.92 41.75 3ipf s ASP 64 CO -0.10 -0.40 2.06 -0.07 0.52 0.00 0.00 175.17 177.17 3ipf h LEU 65 N 7.93 0.00 -0.35 -1.34 4.07 -1.89 0.40 115.31 124.14 3ipf h LEU 65 Ca -0.11 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.72 3ipf h LEU 65 Cb 1.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 3ipf h LEU 65 CO 0.49 0.06 -0.31 0.11 -1.08 0.00 0.00 178.44 177.70 3ipf h LYS 66 N 0.00 0.84 0.00 1.13 1.57 -1.94 -3.07 116.57 115.10 3ipf h LYS 66 Ca -0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3ipf h LYS 66 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ipf h LYS 66 CO 0.01 1.06 -0.61 0.00 -0.57 0.00 0.00 179.45 179.34 3ipf n ALA 67 N -2.52 3.07 -1.79 3.86 0.00 -0.95 -4.95 120.51 117.24 3ipf n ALA 67 Ca -0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 3ipf n ALA 67 Cb 0.50 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3ipf n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipf n GLY 68 N 1.38 0.58 3.73 0.00 0.00 0.13 -4.52 105.19 106.50 3ipf n GLY 68 Ca 0.04 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 3ipf n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ipf s GLN 69 N -3.80 3.72 0.05 1.61 2.00 -0.57 -0.48 119.66 122.18 3ipf s GLN 69 Ca 0.00 -0.26 0.05 0.00 -2.00 0.00 0.00 55.36 53.14 3ipf s GLN 69 Cb 0.00 -3.19 -0.03 0.00 0.80 0.00 0.00 33.01 30.60 3ipf s GLN 69 CO 0.00 0.49 -0.14 0.54 -0.50 0.00 0.00 175.29 175.68 3ipf s VAL 70 N -0.23 1.10 -0.07 1.34 0.11 -0.54 -0.94 120.40 121.16 3ipf s VAL 70 Ca 0.09 -1.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 3ipf s VAL 70 Cb -0.12 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 3ipf s VAL 70 CO 0.01 -0.11 -0.08 -1.61 -3.33 0.00 0.00 175.10 169.97 3ipf s GLU 71 N -1.43 1.39 0.11 1.54 2.02 0.03 -1.73 118.70 120.63 3ipf s GLU 71 Ca -0.00 -0.27 0.09 0.00 0.02 0.00 0.00 54.97 54.81 3ipf s GLU 71 Cb -0.09 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 3ipf s GLU 71 CO 0.02 -0.10 -0.22 0.08 0.02 0.00 0.00 175.26 175.06 3ipf s VAL 72 N 1.08 1.84 0.00 2.63 1.01 0.98 -0.46 120.40 127.48 3ipf s VAL 72 Ca -0.07 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 3ipf s VAL 72 Cb -0.14 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3ipf s VAL 72 CO -0.01 -0.02 0.09 -1.83 0.00 0.00 0.00 175.10 173.34 3ipf s GLU 73 N -1.92 0.41 0.00 2.72 -1.05 -0.46 -0.52 118.70 117.88 3ipf s GLU 73 Ca 0.08 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 3ipf s GLU 73 Cb -0.10 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3ipf s GLU 73 CO 0.05 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.58 3ipf n GLY 74 N 1.63 0.15 3.45 -3.83 0.00 -0.43 -0.35 105.19 105.81 3ipf n GLY 74 Ca -0.22 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 3ipf n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipf s LEU 75 N 0.00 5.09 -0.23 0.99 1.02 -0.44 -0.26 118.68 124.86 3ipf s LEU 75 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 54.13 53.07 3ipf s LEU 75 Cb 0.00 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.84 3ipf s LEU 75 CO 0.00 -0.67 0.48 -0.63 0.02 0.00 0.00 176.35 175.55 3ipf s ILE 76 N 2.11 5.12 -0.18 -0.59 1.01 -1.26 -0.56 121.20 126.85 3ipf s ILE 76 Ca 0.10 0.84 0.13 0.00 0.00 0.00 0.00 60.65 61.72 3ipf s ILE 76 Cb -0.19 -3.80 -0.23 0.00 0.01 0.00 0.00 42.46 38.24 3ipf s ILE 76 CO 0.11 0.16 0.12 0.47 0.00 0.00 0.00 174.94 175.81 3ipf n ASP 77 N 5.00 0.64 -3.52 3.58 8.00 0.16 -4.94 116.55 125.47 3ipf n ASP 77 Ca -0.06 0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 3ipf n ASP 77 Cb 0.50 0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 42.00 3ipf n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ipf s ALA 78 N -2.52 -1.59 -0.04 2.24 0.00 -0.62 -4.99 121.76 114.25 3ipf s ALA 78 Ca -0.15 0.94 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3ipf s ALA 78 Cb 0.07 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.49 3ipf s ALA 78 CO 0.78 -0.48 0.03 -0.51 0.00 0.00 0.00 175.76 175.58 3ipf s LEU 79 N -1.70 0.70 -0.08 0.00 1.43 -1.26 -1.18 118.68 116.59 3ipf s LEU 79 Ca -0.07 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3ipf s LEU 79 Cb -0.01 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.03 3ipf s LEU 79 CO 0.02 -0.17 -0.09 -0.69 0.23 0.00 0.00 176.35 175.65 3ipf s VAL 80 N 1.58 1.00 -0.24 -1.59 1.01 -0.70 -4.99 120.40 116.47 3ipf s VAL 80 Ca -0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3ipf s VAL 80 Cb -0.13 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.37 3ipf s VAL 80 CO -0.03 0.34 0.54 -0.47 0.00 0.00 0.00 175.10 175.48 3ipf s TYR 81 N 1.17 -0.96 0.19 5.22 5.04 -1.26 -0.92 117.35 125.83 3ipf s TYR 81 Ca -0.05 1.82 -0.30 0.00 -2.44 0.00 0.00 57.07 56.10 3ipf s TYR 81 Cb -0.14 0.50 -0.08 0.00 0.35 0.00 0.00 41.96 42.59 3ipf s TYR 81 CO -0.02 -0.51 0.96 -2.14 -1.34 0.00 0.00 175.55 172.50 3ipf s PRO 82 N 2.18 4.78 0.63 4.97 0.02 -1.26 -5.08 135.00 141.24 3ipf s PRO 82 Ca -0.07 1.49 -0.16 0.00 0.02 0.00 0.00 61.00 62.28 3ipf s PRO 82 Cb -0.10 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 3ipf s PRO 82 CO -0.16 0.37 1.13 -1.17 -0.33 0.00 0.00 177.00 176.84 3ipf s LEU 83 N -0.69 3.50 0.28 -5.54 2.96 0.10 -4.93 118.68 114.36 3ipf s LEU 83 Ca 0.44 2.11 -0.29 0.00 -0.22 0.00 0.00 54.13 56.16 3ipf s LEU 83 Cb -0.25 -4.57 -0.10 0.00 0.50 0.00 0.00 46.19 41.77 3ipf s LEU 83 CO 0.31 -1.58 1.36 -1.61 -1.32 0.00 0.00 176.35 173.52 3ipf s GLU 84 N -3.81 4.33 0.24 1.98 8.01 -1.26 -4.68 118.70 123.51 3ipf s GLU 84 Ca 0.70 2.22 -0.04 0.00 0.01 0.00 0.00 54.97 57.86 3ipf s GLU 84 Cb -0.23 -3.10 0.46 0.00 -4.31 0.00 0.00 34.13 26.94 3ipf s GLU 84 CO 0.37 -0.29 1.73 1.25 0.01 0.00 0.00 175.26 178.33 3ipf h HIS 85 N 4.31 0.51 0.00 1.61 -0.00 -1.99 0.60 115.15 120.19 3ipf h HIS 85 Ca -0.47 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3ipf h HIS 85 Cb 1.22 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3ipf h HIS 85 CO 0.58 0.06 0.00 -2.39 -0.00 0.00 0.00 177.93 176.18 3ipf n HIS 86 N -5.00 0.30 0.86 5.26 -0.00 -1.26 -2.00 115.22 113.37 3ipf n HIS 86 Ca 0.14 0.13 0.12 0.00 -0.00 0.00 0.00 57.72 58.11 3ipf n HIS 86 Cb 0.41 -0.71 0.18 0.00 -0.00 0.00 0.00 29.99 29.87 3ipf n HIS 86 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3ipf n HIS 87 N -1.79 0.15 -1.10 -1.40 -0.00 0.20 -4.94 115.22 106.34 3ipf n HIS 87 Ca 0.02 -0.07 -0.31 0.00 -0.00 0.00 0.00 57.72 57.36 3ipf n HIS 87 Cb 0.12 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.24 3ipf n HIS 87 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3ipf s HIS 88 N -1.85 2.26 -0.48 4.41 3.76 -0.85 -4.95 115.29 117.59 3ipf s HIS 88 Ca 0.32 1.52 -0.22 0.00 -0.15 0.00 0.00 55.06 56.54 3ipf s HIS 88 Cb 0.21 -3.14 0.04 0.00 1.11 0.00 0.00 32.58 30.80 3ipf s HIS 88 CO 0.31 -2.24 0.76 -1.58 -0.85 0.00 0.00 174.74 171.14 3ipf s HIS 89 N -2.84 2.97 -2.30 1.40 2.46 -1.26 -5.11 115.29 110.62 3ipf s HIS 89 Ca 0.63 -0.08 0.30 0.00 0.47 0.00 0.00 55.06 56.38 3ipf s HIS 89 Cb -0.19 -3.67 1.40 0.00 -0.13 0.00 0.00 32.58 29.99 3ipf s HIS 89 CO 0.57 -1.06 1.94 0.72 -2.47 0.00 0.00 174.74 174.44