#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 4.35 0.17 3.52 0.52 -1.26 -4.72 118.95 121.53 3ipf s ARG 23 Ca 0.00 2.13 0.11 0.00 -0.52 0.00 0.00 55.73 57.45 3ipf s ARG 23 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 3ipf s ARG 23 CO 0.00 -0.30 -0.21 -0.65 0.02 0.00 0.00 175.30 174.16 3ipf s GLN 24 N -0.24 1.62 -0.11 3.54 -0.21 0.28 -4.90 119.66 119.64 3ipf s GLN 24 Ca 0.57 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 54.55 3ipf s GLN 24 Cb -0.38 -1.93 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 3ipf s GLN 24 CO 0.40 0.42 -0.19 -0.06 -2.12 0.00 0.00 175.29 173.74 3ipf s PHE 25 N -1.53 2.67 -0.07 0.91 0.08 -1.26 -1.53 117.98 117.24 3ipf s PHE 25 Ca 0.20 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.44 3ipf s PHE 25 Cb -0.09 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3ipf s PHE 25 CO 0.10 -0.31 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.58 3ipf s LEU 26 N 0.31 1.80 -0.03 -0.37 0.20 0.31 -5.00 118.68 115.90 3ipf s LEU 26 Ca -0.14 -0.38 0.05 0.00 0.69 0.00 0.00 54.13 54.35 3ipf s LEU 26 Cb -0.17 -1.01 -0.01 0.00 -0.43 0.00 0.00 46.19 44.57 3ipf s LEU 26 CO 0.07 0.08 -0.20 -0.55 -0.29 0.00 0.00 176.35 175.46 3ipf s SER 27 N 0.53 2.38 -0.03 3.68 0.15 -1.26 -0.53 113.70 118.62 3ipf s SER 27 Ca -0.15 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 3ipf s SER 27 Cb -0.16 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 3ipf s SER 27 CO 0.05 0.21 0.18 -0.22 1.20 0.00 0.00 173.24 174.66 3ipf s LEU 28 N -0.24 1.35 0.52 3.45 2.96 -0.55 -5.01 118.68 121.16 3ipf s LEU 28 Ca 0.02 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 3ipf s LEU 28 Cb -0.10 0.72 0.02 0.00 0.50 0.00 0.00 46.19 47.33 3ipf s LEU 28 CO 0.01 -0.24 0.33 0.42 -1.32 0.00 0.00 176.35 175.55 3ipf s THR 29 N -0.68 1.71 -0.08 3.68 -4.23 -1.26 -1.28 115.64 113.51 3ipf s THR 29 Ca -0.08 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3ipf s THR 29 Cb -0.04 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.51 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 -1.64 0.48 3.68 3.99 0.00 -0.05 -4.94 105.19 106.72 3ipf n GLY 30 Ca -0.04 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.97 5.03 -0.08 1.61 1.01 -0.12 -3.82 120.40 122.05 3ipf s VAL 31 Ca 0.00 1.26 0.22 0.00 0.00 0.00 0.00 61.98 63.46 3ipf s VAL 31 Cb 0.00 -3.97 -0.25 0.00 0.00 0.00 0.00 36.38 32.16 3ipf s VAL 31 CO 0.00 0.15 0.62 -1.54 0.00 0.00 0.00 175.10 174.33 3ipf n SER 32 N 4.68 0.22 -3.58 3.32 3.41 -0.17 -4.35 113.62 117.15 3ipf n SER 32 Ca -0.01 0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 3ipf n SER 32 Cb 0.50 1.58 -0.06 0.00 -0.26 0.00 0.00 64.21 65.98 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 -3.46 0.68 -0.34 4.33 2.20 -1.18 -5.00 119.74 116.98 3ipf s LYS 33 Ca -0.06 0.28 -0.14 0.00 -0.36 0.00 0.00 55.97 55.69 3ipf s LYS 33 Cb 0.13 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 3ipf s LYS 33 CO 0.88 -0.19 0.32 0.08 -0.36 0.00 0.00 175.35 176.08 3ipf s VAL 34 N -0.83 5.21 0.09 4.02 1.01 -1.26 -0.31 120.40 128.33 3ipf s VAL 34 Ca -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 3ipf s VAL 34 Cb -0.01 -3.78 -0.25 0.00 0.00 0.00 0.00 36.38 32.33 3ipf s VAL 34 CO 0.02 -0.05 1.18 -0.61 0.00 0.00 0.00 175.10 175.64 3ipf h GLN 35 N 8.46 0.45 -1.46 2.72 4.15 -1.03 -3.48 115.11 124.91 3ipf h GLN 35 Ca -0.30 -0.60 0.15 0.00 0.77 0.00 0.00 58.65 58.67 3ipf h GLN 35 Cb 1.15 0.20 -0.23 0.00 0.21 0.00 0.00 27.48 28.81 3ipf h GLN 35 CO 0.67 1.24 0.69 -1.54 -1.93 0.00 0.00 178.83 177.97 3ipf s SER 36 N -7.24 -0.25 -0.14 -0.69 1.04 -1.13 -4.97 113.70 100.32 3ipf s SER 36 Ca -0.07 0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 3ipf s SER 36 Cb 0.07 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.44 3ipf s SER 36 CO 0.90 -0.26 0.37 0.12 0.98 0.00 0.00 173.24 175.35 3ipf s PHE 37 N -1.39 -0.44 0.20 5.02 5.36 -1.26 -0.73 117.98 124.75 3ipf s PHE 37 Ca 0.03 1.05 -0.19 0.00 -0.96 0.00 0.00 56.93 56.85 3ipf s PHE 37 Cb -0.01 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 3ipf s PHE 37 CO -0.03 -0.23 0.58 0.16 -1.46 0.00 0.00 175.22 174.24 3ipf s ASP 38 N 0.48 -0.32 0.29 6.13 -4.77 -0.92 -5.03 116.67 112.53 3ipf s ASP 38 Ca -0.02 -0.41 0.14 0.00 -3.30 0.00 0.00 52.55 48.96 3ipf s ASP 38 Cb -0.04 0.61 0.79 0.00 -1.09 0.00 0.00 42.92 43.19 3ipf s ASP 38 CO -0.02 -1.09 1.37 -2.65 0.70 0.00 0.00 175.17 173.47 3ipf n PRO 39 N -0.37 0.10 -0.01 2.11 -0.02 -1.26 -2.27 135.00 133.28 3ipf n PRO 39 Ca -0.10 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3ipf n PRO 39 Cb 0.62 -2.00 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.05 0.61 -3.65 -0.52 5.02 -1.26 -1.13 118.16 115.18 3ipf n LYS 40 Ca -0.01 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.98 3ipf n LYS 40 Cb 0.21 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 -3.33 0.74 -0.10 1.97 2.12 -0.96 -1.15 118.70 117.99 3ipf s GLU 41 Ca -0.07 0.95 0.03 0.00 0.36 0.00 0.00 54.97 56.24 3ipf s GLU 41 Cb 0.12 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.84 3ipf s GLU 41 CO 0.81 -0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 175.65 3ipf s ILE 42 N 0.57 1.83 -0.19 -3.70 1.01 0.29 -2.17 121.20 118.86 3ipf s ILE 42 Ca -0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 3ipf s ILE 42 Cb -0.05 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3ipf s ILE 42 CO -0.03 0.51 -0.08 -0.76 0.00 0.00 0.00 174.94 174.58 3ipf s LEU 43 N 0.58 2.77 -0.05 2.97 1.43 0.10 -1.18 118.68 125.30 3ipf s LEU 43 Ca -0.14 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3ipf s LEU 43 Cb -0.17 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3ipf s LEU 43 CO 0.04 0.04 -0.25 -0.76 0.23 0.00 0.00 176.35 175.65 3ipf s LEU 44 N 1.13 2.06 -0.12 1.79 1.43 -0.23 -0.34 118.68 124.40 3ipf s LEU 44 Ca 0.01 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3ipf s LEU 44 Cb -0.14 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3ipf s LEU 44 CO -0.02 0.26 0.38 -1.61 0.23 0.00 0.00 176.35 175.60 3ipf s GLU 45 N -0.29 4.24 0.00 1.70 2.02 0.58 -0.10 118.70 126.85 3ipf s GLU 45 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.28 3ipf s GLU 45 Cb -0.13 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.70 3ipf s GLU 45 CO 0.02 0.27 0.00 -2.37 0.02 0.00 0.00 175.26 173.20 3ipf n THR 46 N 3.37 0.00 -0.04 3.63 5.66 0.58 -1.00 114.28 126.48 3ipf n THR 46 Ca -0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 3ipf n THR 46 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.00 0.51 -0.29 1.09 2.04 -1.96 -3.03 117.51 115.86 3ipf h ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ipf h ILE 47 Cb 0.00 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3ipf h ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3ipf n GLN 48 N -5.33 2.29 0.00 2.37 1.13 -1.26 -5.06 117.38 111.52 3ipf n GLN 48 Ca -0.01 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 3ipf n GLN 48 Cb 0.25 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.12 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 1.40 0.57 3.77 1.08 0.00 -1.15 -4.83 105.19 106.03 3ipf n GLY 49 Ca 0.18 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.88 5.27 -0.20 1.61 1.01 -1.26 -0.31 120.40 122.64 3ipf s VAL 50 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 3ipf s VAL 50 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3ipf s VAL 50 CO 0.00 0.53 0.06 -0.22 0.00 0.00 0.00 175.10 175.48 3ipf s LEU 51 N -0.32 3.68 -0.18 3.92 2.96 0.86 -0.28 118.68 129.32 3ipf s LEU 51 Ca 0.11 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3ipf s LEU 51 Cb -0.12 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3ipf s LEU 51 CO 0.01 0.11 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.59 3ipf s SER 52 N 0.77 4.89 -0.22 3.68 0.15 0.31 -1.06 113.70 122.22 3ipf s SER 52 Ca 0.03 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 3ipf s SER 52 Cb -0.13 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.37 3ipf s SER 52 CO 0.02 0.12 -0.11 -0.63 1.20 0.00 0.00 173.24 173.83 3ipf s ILE 53 N 0.68 2.62 0.08 6.45 1.01 -0.33 -1.23 121.20 130.49 3ipf s ILE 53 Ca -0.01 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.82 3ipf s ILE 53 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3ipf s ILE 53 CO 0.02 0.37 -0.21 -0.54 0.00 0.00 0.00 174.94 174.58 3ipf s LYS 54 N 1.33 1.82 0.00 2.79 1.02 -0.53 -0.54 119.74 125.62 3ipf s LYS 54 Ca 0.03 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.88 3ipf s LYS 54 Cb -0.15 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 3ipf s LYS 54 CO -0.08 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 3ipf n GLY 55 N 1.21 -0.72 3.10 -3.33 0.00 -0.30 -0.11 105.19 105.04 3ipf n GLY 55 Ca -0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.06 0.61 -1.30 1.61 -1.05 -0.15 -4.25 118.70 113.10 3ipf s GLU 56 Ca 0.00 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 3ipf s GLU 56 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3ipf s GLU 56 CO 0.00 -0.14 0.00 1.63 0.95 0.00 0.00 175.26 177.70 3ipf n LYS 57 N 0.45 -2.04 -2.20 -4.83 4.01 -0.99 -1.58 118.16 110.98 3ipf n LYS 57 Ca -0.17 0.74 -0.34 0.00 -0.51 0.00 0.00 58.31 58.03 3ipf n LYS 57 Cb 0.60 -5.36 0.00 0.00 -0.51 0.00 0.00 35.03 29.76 3ipf n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3ipf s LEU 58 N -5.75 3.64 -0.06 -0.35 1.43 -0.29 -4.34 118.68 112.97 3ipf s LEU 58 Ca 0.00 1.95 -0.23 0.00 -1.03 0.00 0.00 54.13 54.82 3ipf s LEU 58 Cb 0.00 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.72 3ipf s LEU 58 CO 0.00 -1.12 0.51 -0.83 0.23 0.00 0.00 176.35 175.14 3ipf s GLY 59 N -2.32 -0.38 -0.30 -3.19 0.00 -0.14 -4.23 107.32 96.77 3ipf s GLY 59 Ca 0.67 0.95 -0.21 0.00 0.00 0.00 0.00 44.72 46.14 3ipf s GLY 59 CO 0.30 0.67 0.64 -0.42 0.00 0.00 0.00 173.10 174.30 3ipf s ILE 60 N -1.03 4.93 -0.06 0.90 1.01 -1.26 -1.66 121.20 124.03 3ipf s ILE 60 Ca -0.10 0.91 0.13 0.00 0.00 0.00 0.00 60.65 61.59 3ipf s ILE 60 Cb -0.03 -4.01 -0.20 0.00 0.01 0.00 0.00 42.46 38.24 3ipf s ILE 60 CO 0.06 -0.13 0.76 0.50 0.00 0.00 0.00 174.94 176.13 3ipf h LYS 61 N 8.15 0.00 -1.94 2.79 3.64 -0.80 -3.49 116.57 124.93 3ipf h LYS 61 Ca -0.26 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 3ipf h LYS 61 Cb 1.12 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.73 3ipf h LYS 61 CO 0.81 0.47 0.21 -1.58 -2.27 0.00 0.00 179.45 177.09 3ipf s HIS 62 N -2.70 -0.67 -0.18 1.91 5.04 -0.95 -4.94 115.29 112.80 3ipf s HIS 62 Ca -0.04 1.34 -0.09 0.00 -1.54 0.00 0.00 55.06 54.74 3ipf s HIS 62 Cb 0.08 0.37 0.07 0.00 0.04 0.00 0.00 32.58 33.14 3ipf s HIS 62 CO 0.82 -0.50 0.42 -1.17 -2.34 0.00 0.00 174.74 171.98 3ipf s LEU 63 N -0.63 -0.34 -0.35 8.88 2.96 -1.26 -0.97 118.68 126.97 3ipf s LEU 63 Ca -0.06 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 3ipf s LEU 63 Cb -0.02 1.38 0.14 0.00 0.50 0.00 0.00 46.19 48.20 3ipf s LEU 63 CO 0.06 -0.21 0.23 -0.62 -1.32 0.00 0.00 176.35 174.49 3ipf s ASP 64 N 1.88 2.76 0.53 3.68 -1.08 -0.03 -5.00 116.67 119.40 3ipf s ASP 64 Ca -0.07 -2.12 0.20 0.00 -0.52 0.00 0.00 52.55 50.04 3ipf s ASP 64 Cb -0.10 -0.29 1.38 0.00 -1.46 0.00 0.00 42.92 42.45 3ipf s ASP 64 CO -0.13 -0.30 2.15 -0.07 0.52 0.00 0.00 175.17 177.33 3ipf h LEU 65 N 7.01 0.00 -0.70 -1.34 4.07 -1.89 0.30 115.31 122.76 3ipf h LEU 65 Ca 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3ipf h LEU 65 Cb 0.98 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 3ipf h LEU 65 CO 0.25 0.04 0.43 0.11 -1.08 0.00 0.00 178.44 178.19 3ipf h LYS 66 N 0.00 0.95 -0.00 1.13 1.57 -1.94 -2.02 116.57 116.25 3ipf h LYS 66 Ca -0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3ipf h LYS 66 Cb 0.08 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3ipf h LYS 66 CO 0.01 0.67 -0.44 0.00 -0.57 0.00 0.00 179.45 179.12 3ipf n ALA 67 N -2.32 3.45 -2.20 3.86 0.00 -0.67 -4.94 120.51 117.70 3ipf n ALA 67 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 3ipf n ALA 67 Cb 0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 1.44 -0.07 3.67 0.00 0.00 0.94 -4.53 105.19 106.64 3ipf n GLY 68 Ca 0.08 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.57 3.64 0.02 1.61 -0.44 -0.50 -0.87 119.66 118.55 3ipf s GLN 69 Ca 0.00 -0.34 0.02 0.00 -2.50 0.00 0.00 55.36 52.53 3ipf s GLN 69 Cb 0.00 -3.08 -0.01 0.00 -1.64 0.00 0.00 33.01 28.27 3ipf s GLN 69 CO 0.00 0.45 -0.06 0.54 0.50 0.00 0.00 175.29 176.71 3ipf s VAL 70 N -0.13 0.44 -0.07 1.34 0.11 -0.40 -0.85 120.40 120.83 3ipf s VAL 70 Ca 0.06 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 3ipf s VAL 70 Cb -0.12 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3ipf s VAL 70 CO 0.01 -0.18 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.91 3ipf s GLU 71 N -0.93 1.40 0.12 1.54 2.02 -0.14 -1.48 118.70 121.23 3ipf s GLU 71 Ca -0.05 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 54.75 3ipf s GLU 71 Cb -0.06 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.84 3ipf s GLU 71 CO 0.00 -0.08 -0.22 0.08 0.02 0.00 0.00 175.26 175.06 3ipf s VAL 72 N 1.02 1.89 0.04 2.63 1.01 0.31 -0.04 120.40 127.26 3ipf s VAL 72 Ca -0.09 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.23 3ipf s VAL 72 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3ipf s VAL 72 CO -0.00 -0.06 -0.04 -1.83 0.00 0.00 0.00 175.10 173.17 3ipf s GLU 73 N -2.09 0.48 0.00 2.72 -1.05 -0.66 -0.53 118.70 117.57 3ipf s GLU 73 Ca 0.10 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 3ipf s GLU 73 Cb -0.09 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3ipf s GLU 73 CO 0.05 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.61 3ipf n GLY 74 N 0.93 0.62 3.40 -3.83 0.00 -0.58 -0.96 105.19 104.76 3ipf n GLY 74 Ca -0.19 -1.77 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 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 5.35 -0.21 0.99 1.43 -0.61 -0.55 118.68 125.08 3ipf s LEU 75 Ca 0.00 -1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 51.64 3ipf s LEU 75 Cb 0.00 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 3ipf s LEU 75 CO 0.00 -0.93 0.61 -0.63 0.23 0.00 0.00 176.35 175.63 3ipf s ILE 76 N 2.38 5.03 -0.18 -0.59 1.01 -1.26 -0.98 121.20 126.60 3ipf s ILE 76 Ca 0.11 1.13 0.05 0.00 0.00 0.00 0.00 60.65 61.94 3ipf s ILE 76 Cb -0.23 -3.92 -0.22 0.00 0.01 0.00 0.00 42.46 38.10 3ipf s ILE 76 CO 0.08 0.10 0.10 0.47 0.00 0.00 0.00 174.94 175.70 3ipf n ASP 77 N 5.16 1.38 -3.65 3.58 8.00 0.84 -4.96 116.55 126.90 3ipf n ASP 77 Ca -0.02 0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 3ipf n ASP 77 Cb 0.50 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.53 -1.09 -0.05 2.24 0.00 -0.84 -5.01 121.76 114.49 3ipf s ALA 78 Ca -0.22 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 3ipf s ALA 78 Cb 0.08 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.56 3ipf s ALA 78 CO 0.73 -0.46 0.04 -0.51 0.00 0.00 0.00 175.76 175.56 3ipf s LEU 79 N -1.94 0.36 -0.05 0.00 1.02 -1.26 -1.46 118.68 115.35 3ipf s LEU 79 Ca -0.06 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.14 3ipf s LEU 79 Cb -0.01 -0.22 0.01 0.00 0.02 0.00 0.00 46.19 45.99 3ipf s LEU 79 CO -0.02 -0.22 -0.09 -0.69 0.02 0.00 0.00 176.35 175.35 3ipf s VAL 80 N 2.00 0.89 -0.29 -1.59 1.01 -0.36 -4.99 120.40 117.07 3ipf s VAL 80 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 3ipf s VAL 80 Cb -0.12 -0.83 0.11 0.00 0.00 0.00 0.00 36.38 35.54 3ipf s VAL 80 CO -0.04 0.29 0.79 -0.47 0.00 0.00 0.00 175.10 175.68 3ipf s TYR 81 N 0.62 -0.91 0.13 5.22 5.04 -1.26 -0.53 117.35 125.66 3ipf s TYR 81 Ca -0.11 1.79 -0.30 0.00 -2.44 0.00 0.00 57.07 56.00 3ipf s TYR 81 Cb -0.14 0.54 -0.06 0.00 0.35 0.00 0.00 41.96 42.65 3ipf s TYR 81 CO 0.02 -0.45 0.99 -2.14 -1.34 0.00 0.00 175.55 172.63 3ipf s PRO 82 N 1.67 4.69 0.56 4.97 0.02 -1.26 -5.05 135.00 140.59 3ipf s PRO 82 Ca -0.09 1.51 0.26 0.00 0.02 0.00 0.00 61.00 62.70 3ipf s PRO 82 Cb -0.05 -3.35 1.51 0.00 0.02 0.00 0.00 34.50 32.63 3ipf s PRO 82 CO -0.18 0.20 2.07 1.25 -0.33 0.00 0.00 177.00 180.01 3ipf h LEU 83 N 5.39 0.00 -1.09 -5.54 5.85 -0.81 -2.23 115.31 116.88 3ipf h LEU 83 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3ipf h LEU 83 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3ipf h LEU 83 CO 0.72 0.00 0.00 1.05 -0.34 0.00 0.00 178.44 179.87 3ipf h GLU 84 N 0.00 0.00 -0.17 1.25 4.11 -1.95 -2.59 114.58 115.23 3ipf h GLU 84 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3ipf h GLU 84 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3ipf h GLU 84 CO -0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 3ipf n HIS 85 N -2.50 0.20 0.41 2.06 8.25 -0.84 -5.21 115.22 117.59 3ipf n HIS 85 Ca 0.01 -0.10 0.05 0.00 -0.26 0.00 0.00 57.72 57.42 3ipf n HIS 85 Cb 0.22 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 3ipf n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70