#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1plf h ASP 22 N 0.00 0.52 -2.93 1.62 3.32 -2.00 -3.47 116.42 113.48 1plf h ASP 22 Ca 0.00 -0.76 -0.61 0.00 0.02 0.00 0.00 57.03 55.68 1plf h ASP 22 Cb 0.00 -0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.27 1plf h ASP 22 CO 0.00 1.64 -0.66 -0.76 -1.72 0.00 0.00 179.24 177.73 1plf s LEU 23 N -7.15 3.30 0.34 1.55 1.02 -1.26 -5.15 118.68 111.33 1plf s LEU 23 Ca -0.13 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 53.71 1plf s LEU 23 Cb 0.06 -1.96 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 1plf s LEU 23 CO 0.85 0.10 0.28 0.00 0.02 0.00 0.00 176.35 177.60 1plf s GLN 24 N -2.88 1.78 0.32 1.70 -2.07 -1.24 -4.73 119.66 112.54 1plf s GLN 24 Ca 0.27 -2.04 -0.29 0.00 -1.82 0.00 0.00 55.36 51.49 1plf s GLN 24 Cb -0.09 0.30 -0.10 0.00 -1.09 0.00 0.00 33.01 32.02 1plf s GLN 24 CO 0.18 -0.65 1.19 0.00 -1.32 0.00 0.00 175.29 174.69 1plf n VAL 26 N 0.89 1.21 -2.67 0.00 0.24 -1.26 -4.81 118.33 111.92 1plf n VAL 26 Ca 0.00 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.34 61.16 1plf n VAL 26 Cb 0.44 -0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 32.07 1plf n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1plf h LEU 28 N 12.10 0.00 -8.53 0.00 3.38 -2.01 -3.48 115.31 116.77 1plf h LEU 28 Ca -0.27 -0.40 -0.54 0.00 0.09 0.00 0.00 57.88 56.76 1plf h LEU 28 Cb 1.06 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.57 1plf h LEU 28 CO 1.21 1.27 -0.82 -0.54 0.09 0.00 0.00 178.44 179.65 1plf s LYS 29 N -2.31 1.18 0.41 1.13 1.02 -1.26 -5.18 119.74 114.72 1plf s LYS 29 Ca -0.24 -0.98 0.08 0.00 0.02 0.00 0.00 55.97 54.85 1plf s LYS 29 Cb 0.04 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 1plf s LYS 29 CO 0.50 0.32 0.47 0.95 -0.92 0.00 0.00 175.35 176.66 1plf s THR 30 N -0.96 2.96 0.04 2.17 -4.23 -1.26 -4.34 115.64 110.02 1plf s THR 30 Ca 0.05 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1plf s THR 30 Cb -0.09 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 1plf s THR 30 CO 0.02 -0.02 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.06 1plf s THR 31 N -2.39 1.02 0.00 3.99 2.01 -0.46 -4.93 115.64 114.88 1plf s THR 31 Ca 0.51 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1plf s THR 31 Cb -0.07 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1plf s THR 31 CO 0.30 -0.04 0.13 -1.20 -0.69 0.00 0.00 174.62 173.12 1plf n SER 32 N 1.88 0.25 -3.39 3.53 7.64 -1.26 -4.25 113.62 118.02 1plf n SER 32 Ca -0.18 -0.71 -0.33 0.00 1.01 0.00 0.00 58.87 58.66 1plf n SER 32 Cb 0.55 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 1plf n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1plf n GLY 33 N 0.15 5.52 3.36 0.23 0.00 -1.26 -5.01 105.19 108.18 1plf n GLY 33 Ca 0.00 -2.71 -0.28 0.00 0.00 0.00 0.00 46.02 43.02 1plf n GLY 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1plf s ILE 34 N -3.76 2.12 -0.28 -0.61 -5.25 -1.26 -5.10 121.20 107.07 1plf s ILE 34 Ca 0.42 -1.60 -0.22 0.00 -0.99 0.00 0.00 60.65 58.26 1plf s ILE 34 Cb 0.19 -1.86 -0.01 0.00 2.95 0.00 0.00 42.46 43.73 1plf s ILE 34 CO -0.07 0.15 0.70 0.21 -1.79 0.00 0.00 174.94 174.15 1plf s ASN 35 N -1.76 6.63 0.65 4.36 3.84 -1.26 -4.91 114.94 122.49 1plf s ASN 35 Ca 0.12 0.70 0.23 0.00 0.21 0.00 0.00 52.86 54.12 1plf s ASN 35 Cb -0.10 -2.37 1.23 0.00 -0.55 0.00 0.00 41.25 39.46 1plf s ASN 35 CO 0.04 -0.48 1.69 -0.65 -2.79 0.00 0.00 177.10 174.92 1plf h PRO 36 N 7.97 0.00 -0.00 0.43 0.11 -1.97 0.74 132.00 139.28 1plf h PRO 36 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1plf h PRO 36 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1plf h PRO 36 CO 0.82 0.00 -0.01 0.54 -0.21 0.00 0.00 178.00 179.15 1plf n ARG 37 N -2.97 0.27 0.03 1.05 1.74 -1.26 -3.66 116.66 111.86 1plf n ARG 37 Ca 0.02 -0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.20 1plf n ARG 37 Cb 0.62 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.53 1plf n ARG 37 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1plf n HIS 38 N -1.36 0.30 -2.55 -1.55 8.25 0.26 -4.91 115.22 113.66 1plf n HIS 38 Ca 0.11 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 1plf n HIS 38 Cb 0.28 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 1plf n HIS 38 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1plf s ILE 39 N -3.28 4.45 -0.06 1.59 -1.09 -1.24 0.29 121.20 121.86 1plf s ILE 39 Ca 0.01 1.76 0.17 0.00 -2.23 0.00 0.00 60.65 60.35 1plf s ILE 39 Cb 0.14 -4.13 -0.26 0.00 -1.58 0.00 0.00 42.46 36.63 1plf s ILE 39 CO 0.83 0.01 0.39 -1.54 -1.23 0.00 0.00 174.94 173.39 1plf n SER 40 N 5.08 1.09 -3.44 3.58 3.41 0.59 -4.80 113.62 119.14 1plf n SER 40 Ca 0.10 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1plf n SER 40 Cb 0.47 1.74 -0.02 0.00 -0.26 0.00 0.00 64.21 66.14 1plf n SER 40 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1plf s SER 41 N -3.89 -0.54 -0.00 4.04 1.04 -1.16 -5.01 113.70 108.18 1plf s SER 41 Ca -0.06 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1plf s SER 41 Cb 0.11 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1plf s SER 41 CO 0.71 -0.95 0.00 -0.22 0.98 0.00 0.00 173.24 173.76 1plf s LEU 42 N -2.71 1.97 -0.10 2.42 2.96 -1.26 -1.72 118.68 120.23 1plf s LEU 42 Ca 0.01 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1plf s LEU 42 Cb -0.01 0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.70 1plf s LEU 42 CO -0.12 -0.00 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.03 1plf s GLU 43 N 0.02 2.38 -0.23 1.98 2.12 0.17 -5.01 118.70 120.13 1plf s GLU 43 Ca -0.00 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.64 1plf s GLU 43 Cb -0.00 -1.94 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 1plf s GLU 43 CO -0.00 0.00 0.01 0.08 -0.54 0.00 0.00 175.26 174.82 1plf s VAL 44 N 0.79 3.89 -0.17 3.70 1.01 -1.26 -1.91 120.40 126.45 1plf s VAL 44 Ca -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1plf s VAL 44 Cb -0.16 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1plf s VAL 44 CO 0.01 0.39 -0.15 -0.63 0.00 0.00 0.00 175.10 174.72 1plf s ILE 45 N 1.43 2.60 0.77 2.22 1.01 -0.35 -4.97 121.20 123.91 1plf s ILE 45 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1plf s ILE 45 Cb -0.15 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.27 1plf s ILE 45 CO 0.01 0.51 1.09 -0.83 0.00 0.00 0.00 174.94 175.72 1plf s GLY 46 N 1.05 1.63 1.00 6.18 0.00 -1.26 -1.06 107.32 114.85 1plf s GLY 46 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.41 1plf s GLY 46 CO -0.04 0.22 1.09 0.00 0.00 0.00 0.00 173.10 174.37 1plf s ALA 47 N -3.16 0.91 0.00 3.20 0.00 -1.26 -4.76 121.76 116.69 1plf s ALA 47 Ca 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1plf s ALA 47 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1plf s ALA 47 CO 0.54 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1plf n GLY 48 N -0.95 -0.59 0.28 0.00 0.00 -0.31 -4.95 105.19 98.66 1plf n GLY 48 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.15 1plf n GLY 48 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1plf h LEU 49 N 0.00 0.41 -1.00 0.99 3.38 -2.00 -2.76 115.31 114.33 1plf h LEU 49 Ca 0.00 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1plf h LEU 49 Cb 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1plf h LEU 49 CO 0.00 0.20 -0.45 1.12 0.09 0.00 0.00 178.44 179.40 1plf h HIS 50 N 0.55 0.13 -1.82 1.13 2.07 -1.94 -3.45 115.15 111.82 1plf h HIS 50 Ca 0.39 -0.04 0.06 0.00 -2.85 0.00 0.00 60.37 57.94 1plf h HIS 50 Cb 0.51 -0.03 -0.22 0.00 2.57 0.00 0.00 27.41 30.24 1plf h HIS 50 CO -0.12 0.54 0.09 0.00 -3.07 0.00 0.00 177.93 175.36 1plf n PRO 52 N 4.46 0.33 -4.29 0.00 -0.04 -1.25 -1.16 135.00 133.04 1plf n PRO 52 Ca -0.17 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.16 1plf n PRO 52 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 1plf n PRO 52 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1plf s SER 53 N -2.39 2.49 0.86 3.54 0.01 -1.26 -4.77 113.70 112.18 1plf s SER 53 Ca 0.19 -0.77 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 1plf s SER 53 Cb 0.11 -0.13 0.11 0.00 0.21 0.00 0.00 66.02 66.32 1plf s SER 53 CO 0.23 -0.01 1.11 -2.84 0.41 0.00 0.00 173.24 172.13 1plf s PRO 54 N -2.37 1.49 -0.01 12.44 0.02 -1.26 -4.22 135.00 141.08 1plf s PRO 54 Ca 0.10 1.21 -0.00 0.00 0.02 0.00 0.00 61.00 62.33 1plf s PRO 54 Cb -0.08 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1plf s PRO 54 CO 0.05 -2.19 0.02 -0.65 -0.33 0.00 0.00 177.00 173.89 1plf s GLN 55 N -4.80 0.01 -0.33 5.54 -0.21 -0.23 -4.92 119.66 114.72 1plf s GLN 55 Ca 0.64 0.05 0.02 0.00 0.02 0.00 0.00 55.36 56.08 1plf s GLN 55 Cb -0.20 -0.03 0.09 0.00 1.00 0.00 0.00 33.01 33.88 1plf s GLN 55 CO 0.57 -0.03 0.04 -0.51 -2.12 0.00 0.00 175.29 173.25 1plf s LEU 56 N 0.16 4.51 -0.25 2.90 1.43 -1.26 -1.21 118.68 124.96 1plf s LEU 56 Ca -0.01 -1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 51.11 1plf s LEU 56 Cb -0.02 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1plf s LEU 56 CO -0.00 -0.36 0.07 -0.63 0.23 0.00 0.00 176.35 175.66 1plf s ILE 57 N 1.02 4.36 -0.01 -0.59 1.01 -0.80 -0.95 121.20 125.24 1plf s ILE 57 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 1plf s ILE 57 Cb -0.20 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1plf s ILE 57 CO -0.06 0.34 0.07 0.00 0.00 0.00 0.00 174.94 175.30 1plf s ALA 58 N 1.54 3.56 -0.21 9.38 0.00 0.39 -0.65 121.76 135.76 1plf s ALA 58 Ca 0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1plf s ALA 58 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1plf s ALA 58 CO 0.04 0.68 -0.01 0.99 0.00 0.00 0.00 175.76 177.46 1plf s THR 59 N -1.18 3.73 0.74 0.00 2.01 -0.70 -1.73 115.64 118.51 1plf s THR 59 Ca 0.22 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 1plf s THR 59 Cb -0.12 -2.70 0.06 0.00 0.01 0.00 0.00 72.50 69.75 1plf s THR 59 CO 0.13 0.41 1.08 -0.76 -0.69 0.00 0.00 174.62 174.80 1plf s LEU 60 N 1.28 2.72 0.56 4.42 1.43 0.42 -0.30 118.68 129.22 1plf s LEU 60 Ca 0.04 0.68 0.37 0.00 -1.03 0.00 0.00 54.13 54.19 1plf s LEU 60 Cb -0.15 -3.29 1.82 0.00 0.03 0.00 0.00 46.19 44.60 1plf s LEU 60 CO 0.00 -1.66 2.11 0.11 0.23 0.00 0.00 176.35 177.14 1plf h LYS 61 N -0.76 0.00 -0.00 1.70 1.57 0.41 -2.06 116.57 117.42 1plf h LYS 61 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1plf h LYS 61 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1plf h LYS 61 CO 0.63 0.00 -0.11 0.25 -0.57 0.00 0.00 179.45 179.65 1plf n THR 62 N -2.93 0.00 -0.06 -0.16 -2.24 -1.26 -4.92 114.28 102.71 1plf n THR 62 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1plf n THR 62 Cb 0.16 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1plf n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1plf n GLY 63 N 1.29 1.00 3.76 3.38 0.00 -0.77 -5.05 105.19 108.79 1plf n GLY 63 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1plf n GLY 63 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1plf s ARG 64 N -0.64 4.80 0.03 1.61 3.52 -1.26 -4.77 118.95 122.24 1plf s ARG 64 Ca 0.00 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 1plf s ARG 64 Cb 0.00 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1plf s ARG 64 CO 0.00 0.53 0.12 0.15 -0.81 0.00 0.00 175.30 175.29 1plf s LYS 65 N -1.16 3.16 0.08 5.12 1.02 -1.26 -0.44 119.74 126.26 1plf s LYS 65 Ca 0.40 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.81 1plf s LYS 65 Cb -0.25 -2.90 -0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1plf s LYS 65 CO 0.31 0.63 0.17 0.96 -0.92 0.00 0.00 175.35 176.49 1plf s ILE 66 N -1.32 0.15 -0.11 2.17 -4.36 -0.70 -4.98 121.20 112.04 1plf s ILE 66 Ca 0.27 -1.19 -0.02 0.00 -0.26 0.00 0.00 60.65 59.45 1plf s ILE 66 Cb -0.12 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 1plf s ILE 66 CO 0.19 -0.66 -0.01 0.00 0.24 0.00 0.00 174.94 174.70 1plf s LEU 68 N -0.50 4.29 -0.17 0.00 1.43 -0.13 -1.36 118.68 122.24 1plf s LEU 68 Ca 0.08 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1plf s LEU 68 Cb -0.12 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1plf s LEU 68 CO 0.02 0.01 0.48 -0.62 0.23 0.00 0.00 176.35 176.47 1plf s ASP 69 N -3.21 6.59 0.40 2.29 2.15 -1.26 -4.53 116.67 119.10 1plf s ASP 69 Ca 0.36 0.70 0.22 0.00 0.43 0.00 0.00 52.55 54.26 1plf s ASP 69 Cb -0.11 -2.28 0.28 0.00 -0.30 0.00 0.00 42.92 40.51 1plf s ASP 69 CO 0.29 -0.09 1.55 0.06 -0.17 0.00 0.00 175.17 176.81 1plf h GLN 70 N 7.16 0.00 -1.16 4.34 3.07 -1.98 -3.17 115.11 123.37 1plf h GLN 70 Ca -0.37 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 57.85 1plf h GLN 70 Cb 1.16 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 28.49 1plf h GLN 70 CO 0.74 0.09 0.67 1.04 0.09 0.00 0.00 178.83 181.46 1plf n GLN 71 N -3.10 2.29 -3.71 0.06 6.02 -1.26 -4.72 117.38 112.96 1plf n GLN 71 Ca 0.03 -2.59 -0.14 0.00 -0.01 0.00 0.00 57.00 54.29 1plf n GLN 71 Cb 0.57 -2.02 -0.09 0.00 1.02 0.00 0.00 30.24 29.72 1plf n GLN 71 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1plf s ASN 72 N -1.03 -0.41 -0.05 1.08 3.84 -1.20 -5.07 114.94 112.10 1plf s ASN 72 Ca 0.51 0.65 0.15 0.00 0.21 0.00 0.00 52.86 54.37 1plf s ASN 72 Cb 0.40 0.70 0.51 0.00 -0.55 0.00 0.00 41.25 42.31 1plf s ASN 72 CO 0.01 -0.30 1.40 -0.81 -2.79 0.00 0.00 177.10 174.61 1plf n PRO 73 N 2.12 2.69 -0.09 0.43 -0.04 -1.26 -4.25 135.00 134.60 1plf n PRO 73 Ca -0.16 -2.05 0.02 0.00 -0.04 0.00 0.00 63.50 61.27 1plf n PRO 73 Cb 0.57 -1.59 0.34 0.00 -0.04 0.00 0.00 33.50 32.77 1plf n PRO 73 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1plf h LEU 74 N 3.11 0.64 -1.27 1.53 5.85 -1.96 -1.71 115.31 121.50 1plf h LEU 74 Ca 0.00 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1plf h LEU 74 Cb 0.96 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1plf h LEU 74 CO 0.10 0.48 -0.35 0.10 -0.34 0.00 0.00 178.44 178.43 1plf h TYR 75 N 0.76 0.03 -0.30 1.25 -0.00 -1.81 -2.54 116.97 114.35 1plf h TYR 75 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.88 1plf h TYR 75 Cb -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 36.64 1plf h TYR 75 CO 0.00 0.37 0.00 0.87 -0.00 0.00 0.00 178.16 179.41 1plf h LYS 76 N 0.03 0.53 -0.44 0.10 1.57 -1.59 -1.11 116.57 115.65 1plf h LYS 76 Ca 0.00 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1plf h LYS 76 Cb 0.63 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1plf h LYS 76 CO 0.05 0.67 0.19 -0.22 -0.57 0.00 0.00 179.45 179.56 1plf h LYS 77 N 0.32 0.65 0.02 3.15 3.64 -1.43 -2.07 116.57 120.86 1plf h LYS 77 Ca 0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1plf h LYS 77 Cb 0.43 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1plf h LYS 77 CO 0.01 0.59 -0.03 0.82 -2.27 0.00 0.00 179.45 178.57 1plf h ILE 78 N 0.57 0.92 -0.57 2.00 2.04 -1.34 0.44 117.51 121.57 1plf h ILE 78 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 1plf h ILE 78 Cb 0.17 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1plf h ILE 78 CO -0.01 0.00 0.11 0.40 0.00 0.00 0.00 178.15 178.64 1plf h ILE 79 N -0.07 0.65 -0.46 -0.67 2.04 -1.03 0.11 117.51 118.08 1plf h ILE 79 Ca 0.01 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1plf h ILE 79 Cb 0.08 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1plf h ILE 79 CO -0.02 0.04 0.18 0.11 0.00 0.00 0.00 178.15 178.46 1plf h LYS 80 N 0.24 0.66 0.04 2.37 1.57 -0.99 -2.20 116.57 118.26 1plf h LYS 80 Ca 0.29 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1plf h LYS 80 Cb 0.43 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1plf h LYS 80 CO -0.39 0.55 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.93 1plf h ARG 81 N 0.66 -0.06 -0.00 3.15 1.12 0.87 -3.15 114.38 116.97 1plf h ARG 81 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1plf h ARG 81 Cb 0.15 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1plf h ARG 81 CO -0.01 0.39 0.01 -0.07 -3.11 0.00 0.00 179.97 177.18 1plf h LEU 82 N -0.52 0.00 -0.48 3.80 3.38 -0.58 -2.59 115.31 118.32 1plf h LEU 82 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1plf h LEU 82 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1plf h LEU 82 CO 0.01 0.00 -0.21 0.18 0.09 0.00 0.00 178.44 178.51 1plf n LEU 83 N -3.39 0.95 -4.79 1.67 4.77 -0.85 -4.93 117.00 110.44 1plf n LEU 83 Ca -0.03 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.36 1plf n LEU 83 Cb 0.08 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1plf n LEU 83 CO 0.23 0.18 0.60 -0.54 -1.33 0.00 0.00 177.39 176.53 1plf s LYS 84 N -2.46 4.50 0.00 3.23 1.02 -0.98 -5.10 119.74 119.95 1plf s LYS 84 Ca 0.26 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.48 1plf s LYS 84 Cb 0.19 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1plf s LYS 84 CO 0.50 0.29 0.51 0.43 -0.92 0.00 0.00 175.35 176.15