#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lpe n HIS 0 N 0.00 0.00 -2.20 0.00 -0.00 -1.26 -5.14 115.22 106.62 3lpe n HIS 0 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 3lpe n HIS 0 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3lpe n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3lpe s MET 1 N 0.06 4.35 -0.02 -1.40 1.00 -1.24 -4.93 119.30 117.12 3lpe s MET 1 Ca 0.00 2.05 0.02 0.00 0.00 0.00 0.00 55.69 57.76 3lpe s MET 1 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 34.83 31.60 3lpe s MET 1 CO 0.00 -0.35 -0.08 0.42 0.00 0.00 0.00 175.02 175.01 3lpe s ILE 2 N 0.68 0.70 0.06 2.53 1.01 -1.26 -1.48 121.20 123.43 3lpe s ILE 2 Ca 0.61 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 61.01 3lpe s ILE 2 Cb -0.36 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3lpe s ILE 2 CO 0.34 0.22 -0.18 -0.36 0.00 0.00 0.00 174.94 174.95 3lpe s PHE 3 N 0.19 1.58 -0.19 3.97 0.08 0.04 -0.29 117.98 123.35 3lpe s PHE 3 Ca -0.03 -0.38 -0.16 0.00 0.12 0.00 0.00 56.93 56.48 3lpe s PHE 3 Cb -0.08 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3lpe s PHE 3 CO 0.00 0.09 0.41 0.00 -0.10 0.00 0.00 175.22 175.63 3lpe s ALA 4 N -0.93 3.55 -0.22 5.36 0.00 -1.26 -0.51 121.76 127.75 3lpe s ALA 4 Ca 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 3lpe s ALA 4 Cb -0.09 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 3lpe s ALA 4 CO 0.02 -0.26 0.03 0.08 0.00 0.00 0.00 175.76 175.63 3lpe s VAL 5 N 1.21 4.07 0.10 0.00 1.01 0.65 -0.76 120.40 126.69 3lpe s VAL 5 Ca 0.20 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3lpe s VAL 5 Cb -0.15 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 3lpe s VAL 5 CO 0.08 0.39 0.93 -0.60 0.00 0.00 0.00 175.10 175.90 3lpe s ARG 6 N 1.28 4.66 0.38 2.72 3.52 0.16 -1.19 118.95 130.49 3lpe s ARG 6 Ca 0.04 1.38 0.04 0.00 -0.13 0.00 0.00 55.73 57.06 3lpe s ARG 6 Cb -0.15 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3lpe s ARG 6 CO 0.02 0.23 0.10 0.95 -0.81 0.00 0.00 175.30 175.79 3lpe s THR 7 N -0.03 0.77 0.32 4.11 -4.23 0.15 -0.99 115.64 115.74 3lpe s THR 7 Ca 0.45 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.67 3lpe s THR 7 Cb -0.23 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 3lpe s THR 7 CO 0.29 0.00 1.28 -0.04 -0.54 0.00 0.00 174.62 175.61 3lpe s MET 8 N -3.79 4.40 0.22 3.99 1.00 -0.78 -4.56 119.30 119.78 3lpe s MET 8 Ca 0.28 2.15 -0.32 0.00 0.00 0.00 0.00 55.69 57.80 3lpe s MET 8 Cb 0.05 -3.10 -0.12 0.00 0.00 0.00 0.00 34.83 31.66 3lpe s MET 8 CO 0.14 -0.14 1.70 0.08 0.00 0.00 0.00 175.02 176.81 3lpe s VAL 9 N -1.05 2.02 0.00 -6.03 1.01 -1.26 -1.59 120.40 113.50 3lpe s VAL 9 Ca 0.49 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3lpe s VAL 9 Cb -0.38 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3lpe s VAL 9 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3lpe n GLY 10 N 3.69 1.61 1.53 4.51 0.00 -1.26 -4.88 105.19 110.39 3lpe n GLY 10 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3lpe n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lpe n GLN 11 N -2.00 3.34 0.23 1.61 1.13 -0.62 -4.72 117.38 116.36 3lpe n GLN 11 Ca 0.00 -2.82 -0.15 0.00 -1.94 0.00 0.00 57.00 52.08 3lpe n GLN 11 Cb 0.00 -1.77 -0.08 0.00 0.11 0.00 0.00 30.24 28.50 3lpe n GLN 11 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3lpe h GLU 12 N 4.28 -0.51 -0.65 -1.09 3.07 -1.90 -0.13 114.58 117.63 3lpe h GLU 12 Ca 0.00 0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3lpe h GLU 12 Cb 1.28 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 3lpe h GLU 12 CO 0.14 -0.33 0.16 0.87 -1.40 0.00 0.00 179.01 178.45 3lpe h LYS 13 N -0.56 1.04 -0.40 2.33 1.57 -1.93 -0.59 116.57 118.04 3lpe h LYS 13 Ca -0.05 -0.25 0.06 0.00 -1.87 0.00 0.00 60.65 58.53 3lpe h LYS 13 Cb 0.42 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3lpe h LYS 13 CO 0.09 0.93 0.11 -0.91 -0.57 0.00 0.00 179.45 179.10 3lpe h ASN 14 N 0.97 0.08 -0.29 0.86 2.35 -1.84 -1.36 115.58 116.35 3lpe h ASN 14 Ca 0.21 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 3lpe h ASN 14 Cb 0.35 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3lpe h ASN 14 CO 0.00 0.08 -0.29 0.40 -1.65 0.00 0.00 177.43 175.97 3lpe h ILE 15 N 0.25 1.28 -0.94 2.81 2.04 -0.69 -2.06 117.51 120.21 3lpe h ILE 15 Ca 0.19 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.66 3lpe h ILE 15 Cb 0.20 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3lpe h ILE 15 CO -0.22 0.48 0.61 0.00 0.00 0.00 0.00 178.15 179.02 3lpe h ALA 16 N 0.98 1.44 -0.27 1.87 0.00 -0.67 0.98 119.26 123.59 3lpe h ALA 16 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3lpe h ALA 16 Cb 0.83 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3lpe h ALA 16 CO 0.07 0.44 0.04 0.78 0.00 0.00 0.00 179.25 180.58 3lpe h GLY 17 N 1.13 0.49 1.12 0.00 0.00 -0.85 -1.24 103.07 103.72 3lpe h GLY 17 Ca 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3lpe h GLY 17 CO -0.14 0.30 0.38 1.41 0.00 0.00 0.00 176.54 178.50 3lpe h LEU 18 N 0.26 1.03 -0.28 3.11 3.38 -0.97 -2.61 115.31 119.23 3lpe h LEU 18 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3lpe h LEU 18 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3lpe h LEU 18 CO 0.01 0.86 0.18 0.24 0.09 0.00 0.00 178.44 179.82 3lpe h MET 19 N 1.12 0.37 -0.51 1.13 2.86 -0.61 -1.30 114.93 118.00 3lpe h MET 19 Ca 0.27 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3lpe h MET 19 Cb 0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3lpe h MET 19 CO -0.03 0.26 0.28 0.00 1.06 0.00 0.00 176.91 178.47 3lpe h ALA 20 N 1.09 0.65 -0.19 6.32 0.00 -1.04 0.13 119.26 126.22 3lpe h ALA 20 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3lpe h ALA 20 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3lpe h ALA 20 CO -0.02 0.17 0.07 0.77 0.00 0.00 0.00 179.25 180.24 3lpe h SER 21 N 0.67 0.09 -0.18 0.00 0.02 -1.39 -2.33 113.55 110.43 3lpe h SER 21 Ca 0.18 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3lpe h SER 21 Cb 0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3lpe h SER 21 CO -0.03 0.08 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.51 3lpe h ARG 22 N 0.17 0.58 -0.40 3.45 2.43 -0.81 -1.22 114.38 118.57 3lpe h ARG 22 Ca 0.08 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3lpe h ARG 22 Cb 0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3lpe h ARG 22 CO -0.08 0.70 0.22 0.00 -1.51 0.00 0.00 179.97 179.30 3lpe h ALA 23 N 1.33 0.51 0.05 2.80 0.00 -0.56 0.21 119.26 123.60 3lpe h ALA 23 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3lpe h ALA 23 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3lpe h ALA 23 CO 0.03 0.04 -0.03 0.93 0.00 0.00 0.00 179.25 180.23 3lpe h GLU 24 N 0.51 -0.07 -0.67 0.00 5.08 -1.22 0.08 114.58 118.30 3lpe h GLU 24 Ca 0.14 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3lpe h GLU 24 Cb 0.06 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3lpe h GLU 24 CO -0.02 0.32 0.39 0.87 -1.00 0.00 0.00 179.01 179.57 3lpe h LYS 25 N -0.47 0.71 -0.11 2.33 6.56 -1.16 -2.58 116.57 121.85 3lpe h LYS 25 Ca -0.01 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3lpe h LYS 25 Cb 0.42 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3lpe h LYS 25 CO 0.01 0.47 0.00 0.39 -2.06 0.00 0.00 179.45 178.26 3lpe n GLU 26 N -4.75 1.89 -3.71 3.15 -0.58 0.05 -4.95 120.64 111.74 3lpe n GLU 26 Ca 0.08 -1.32 -0.23 0.00 -0.42 0.00 0.00 57.16 55.27 3lpe n GLU 26 Cb 0.14 -1.45 0.04 0.00 -0.57 0.00 0.00 31.44 29.60 3lpe n GLU 26 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3lpe n GLN 27 N 0.57 -5.58 -2.99 3.49 6.02 -0.11 -4.97 117.38 113.82 3lpe n GLN 27 Ca 0.17 0.66 -0.32 0.00 -0.01 0.00 0.00 57.00 57.50 3lpe n GLN 27 Cb 0.42 -5.41 -0.06 0.00 1.02 0.00 0.00 30.24 26.21 3lpe n GLN 27 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3lpe s LEU 28 N -6.85 3.97 -1.49 1.08 1.43 -0.47 -4.95 118.68 111.41 3lpe s LEU 28 Ca 0.22 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 3lpe s LEU 28 Cb -0.11 -4.18 0.02 0.00 0.03 0.00 0.00 46.19 41.95 3lpe s LEU 28 CO 0.80 -0.29 2.45 0.47 0.23 0.00 0.00 176.35 180.01 3lpe n ASP 29 N -0.64 6.01 -4.39 2.29 8.00 -1.26 -4.85 116.55 121.71 3lpe n ASP 29 Ca 0.04 -2.80 -0.34 0.00 0.71 0.00 0.00 54.79 52.40 3lpe n ASP 29 Cb 0.53 -1.58 -0.14 0.00 -0.02 0.00 0.00 41.12 39.92 3lpe n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lpe s VAL 30 N 2.17 3.39 -0.14 2.53 1.01 -1.26 -1.47 120.40 126.63 3lpe s VAL 30 Ca 0.54 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 62.10 3lpe s VAL 30 Cb 0.15 -2.48 -0.15 0.00 0.00 0.00 0.00 36.38 33.90 3lpe s VAL 30 CO -0.07 0.49 0.02 -1.22 0.00 0.00 0.00 175.10 174.31 3lpe n TYR 31 N 3.89 0.00 -3.62 5.22 4.01 0.11 -4.99 117.16 121.78 3lpe n TYR 31 Ca -0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.46 3lpe n TYR 31 Cb 0.52 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 3lpe n TYR 31 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3lpe s SER 32 N -4.77 -0.39 -0.04 7.72 1.04 -1.17 -5.01 113.70 111.09 3lpe s SER 32 Ca -0.09 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 3lpe s SER 32 Cb 0.04 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.79 3lpe s SER 32 CO 0.51 -1.05 0.08 -0.63 0.98 0.00 0.00 173.24 173.14 3lpe s ILE 33 N -3.82 -0.04 -0.08 -1.02 1.01 -1.26 -1.10 121.20 114.89 3lpe s ILE 33 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.87 3lpe s ILE 33 Cb -0.02 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.32 3lpe s ILE 33 CO -0.06 0.07 -0.08 -0.22 0.00 0.00 0.00 174.94 174.64 3lpe s LEU 34 N 0.92 1.34 -0.30 2.97 2.96 0.35 -4.98 118.68 121.93 3lpe s LEU 34 Ca -0.07 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3lpe s LEU 34 Cb -0.10 -0.75 0.09 0.00 0.50 0.00 0.00 46.19 45.93 3lpe s LEU 34 CO -0.04 -0.06 0.02 0.00 -1.32 0.00 0.00 176.35 174.95 3lpe s ALA 35 N 1.20 2.46 -0.08 5.97 0.00 -1.26 -1.05 121.76 129.00 3lpe s ALA 35 Ca -0.05 -2.07 -0.10 0.00 0.00 0.00 0.00 51.96 49.73 3lpe s ALA 35 Cb -0.14 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 3lpe s ALA 35 CO -0.02 -1.52 0.24 0.45 0.00 0.00 0.00 175.76 174.91 3lpe s SER 36 N 1.14 6.54 0.61 0.00 0.15 -1.26 -4.95 113.70 115.92 3lpe s SER 36 Ca 0.05 0.64 0.39 0.00 0.70 0.00 0.00 55.95 57.73 3lpe s SER 36 Cb -0.19 -2.14 1.90 0.00 -1.71 0.00 0.00 66.02 63.88 3lpe s SER 36 CO -0.10 0.35 2.19 -0.33 1.20 0.00 0.00 173.24 176.55 3lpe h GLU 37 N 5.04 0.00 -0.39 5.44 4.39 -1.98 -0.98 114.58 126.10 3lpe h GLU 37 Ca -0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3lpe h GLU 37 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3lpe h GLU 37 CO 0.61 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.34 3lpe n SER 38 N -3.13 2.35 -3.34 1.42 3.41 -1.26 -4.30 113.62 108.77 3lpe n SER 38 Ca -0.01 -1.94 -0.26 0.00 -0.26 0.00 0.00 58.87 56.40 3lpe n SER 38 Cb 0.18 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 3lpe n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3lpe n LEU 39 N 0.77 1.00 -4.76 1.04 7.94 -0.37 -5.11 117.00 117.51 3lpe n LEU 39 Ca 0.16 -4.82 -0.39 0.00 -1.11 0.00 0.00 56.01 49.84 3lpe n LEU 39 Cb 0.39 0.24 -0.04 0.00 0.53 0.00 0.00 43.42 44.54 3lpe n LEU 39 CO 0.11 2.00 0.80 -0.54 -1.11 0.00 0.00 177.39 178.65 3lpe s LYS 40 N -1.21 4.46 0.00 1.96 1.02 -1.26 -3.40 119.74 121.31 3lpe s LYS 40 Ca 0.35 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.12 3lpe s LYS 40 Cb 0.12 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3lpe s LYS 40 CO -0.11 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 3lpe n GLY 41 N 0.94 0.64 3.08 -3.33 0.00 -1.26 -4.96 105.19 100.30 3lpe n GLY 41 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3lpe n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lpe s TYR 42 N -2.14 0.04 -0.04 1.61 1.51 -1.22 0.32 117.35 117.43 3lpe s TYR 42 Ca 0.00 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 3lpe s TYR 42 Cb 0.00 -0.05 0.00 0.00 -0.11 0.00 0.00 41.96 41.80 3lpe s TYR 42 CO 0.00 -0.24 -0.13 0.08 -1.11 0.00 0.00 175.55 174.14 3lpe s VAL 43 N -1.16 1.15 -0.10 0.71 1.01 -0.33 -4.69 120.40 116.98 3lpe s VAL 43 Ca -0.13 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3lpe s VAL 43 Cb -0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 3lpe s VAL 43 CO 0.01 0.34 0.40 -0.76 0.00 0.00 0.00 175.10 175.09 3lpe s LEU 44 N 0.18 4.32 -0.15 3.92 1.43 -0.21 -0.25 118.68 127.91 3lpe s LEU 44 Ca -0.05 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3lpe s LEU 44 Cb -0.11 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.57 3lpe s LEU 44 CO 0.02 0.12 -0.14 -0.69 0.23 0.00 0.00 176.35 175.89 3lpe s VAL 45 N 0.12 1.56 -0.26 -1.59 1.01 0.34 -0.50 120.40 121.07 3lpe s VAL 45 Ca 0.22 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 3lpe s VAL 45 Cb -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3lpe s VAL 45 CO 0.09 0.44 0.46 -0.70 0.00 0.00 0.00 175.10 175.39 3lpe s GLU 46 N 1.49 4.06 0.16 2.72 2.12 -0.25 -0.78 118.70 128.22 3lpe s GLU 46 Ca 0.05 0.23 -0.11 0.00 0.36 0.00 0.00 54.97 55.49 3lpe s GLU 46 Cb -0.13 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.62 3lpe s GLU 46 CO -0.11 -0.30 0.34 0.00 -0.54 0.00 0.00 175.26 174.65 3lpe s ALA 47 N 2.14 -0.30 0.16 6.30 0.00 -0.55 0.04 121.76 129.54 3lpe s ALA 47 Ca 0.19 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 3lpe s ALA 47 Cb -0.16 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.78 3lpe s ALA 47 CO 0.09 -0.67 1.44 1.49 0.00 0.00 0.00 175.76 178.11 3lpe h GLU 48 N 2.47 0.67 -4.13 0.00 4.57 -1.53 -3.29 114.58 113.33 3lpe h GLU 48 Ca -0.31 -0.46 -0.12 0.00 -1.18 0.00 0.00 59.36 57.29 3lpe h GLU 48 Cb 1.23 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 29.75 3lpe h GLU 48 CO 0.46 1.08 -0.55 0.95 -1.18 0.00 0.00 179.01 179.77 3lpe s THR 49 N -3.94 0.15 0.30 0.32 -4.23 -1.26 -4.70 115.64 102.29 3lpe s THR 49 Ca -0.08 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 3lpe s THR 49 Cb 0.10 -1.64 0.14 0.00 1.34 0.00 0.00 72.50 72.44 3lpe s THR 49 CO 0.87 -0.70 1.82 0.50 -0.54 0.00 0.00 174.62 176.57 3lpe h LYS 50 N 2.91 0.63 -0.82 3.99 3.64 -1.99 -2.53 116.57 122.40 3lpe h LYS 50 Ca -0.34 -0.15 0.12 0.00 -1.27 0.00 0.00 60.65 59.01 3lpe h LYS 50 Cb 1.18 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 3lpe h LYS 50 CO 0.60 0.66 0.53 0.78 -2.27 0.00 0.00 179.45 179.74 3lpe h GLY 51 N 0.91 1.02 1.00 5.01 0.00 -1.99 0.16 103.07 109.19 3lpe h GLY 51 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3lpe h GLY 51 CO 0.01 0.12 0.42 -0.55 0.00 0.00 0.00 176.54 176.54 3lpe h ASP 52 N 0.65 0.87 -0.20 0.19 3.32 -1.83 -0.94 116.42 118.48 3lpe h ASP 52 Ca 0.39 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 3lpe h ASP 52 Cb 0.62 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3lpe h ASP 52 CO -0.16 0.68 -0.45 0.58 -1.72 0.00 0.00 179.24 178.18 3lpe h VAL 53 N 0.97 1.29 -0.44 -1.35 2.07 -1.12 -0.19 116.25 117.48 3lpe h VAL 53 Ca 0.25 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3lpe h VAL 53 Cb -0.01 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3lpe h VAL 53 CO -0.05 0.53 0.28 -0.33 0.02 0.00 0.00 177.57 178.03 3lpe h GLU 54 N 0.61 0.58 -0.20 1.57 4.39 -0.73 -1.53 114.58 119.27 3lpe h GLU 54 Ca 0.04 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3lpe h GLU 54 Cb 1.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3lpe h GLU 54 CO 0.10 0.39 -0.37 1.49 -1.16 0.00 0.00 179.01 179.47 3lpe h GLU 55 N 0.59 0.43 -0.63 2.33 4.57 -1.04 -1.97 114.58 118.86 3lpe h GLU 55 Ca 0.16 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3lpe h GLU 55 Cb -0.05 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3lpe h GLU 55 CO -0.03 0.74 0.33 1.25 -1.18 0.00 0.00 179.01 180.12 3lpe h LEU 56 N 0.37 0.80 -0.76 1.64 5.85 -0.41 -2.91 115.31 119.89 3lpe h LEU 56 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3lpe h LEU 56 Cb 0.81 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3lpe h LEU 56 CO 0.07 0.68 -0.33 2.30 -0.34 0.00 0.00 178.44 180.82 3lpe n ILE 57 N -4.53 0.00 -1.59 4.05 -5.35 -0.63 -4.84 119.36 106.47 3lpe n ILE 57 Ca 0.04 -0.20 -0.49 0.00 -0.27 0.00 0.00 62.75 61.84 3lpe n ILE 57 Cb 0.10 0.78 -0.05 0.00 -1.74 0.00 0.00 39.64 38.72 3lpe n ILE 57 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3lpe n LYS 58 N -0.30 1.70 -0.94 6.28 4.81 -0.75 -0.67 118.16 128.28 3lpe n LYS 58 Ca 0.11 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3lpe n LYS 58 Cb 0.40 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.79 3lpe n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3lpe n GLY 59 N 5.39 0.62 3.69 3.14 0.00 -1.26 -4.99 105.19 111.78 3lpe n GLY 59 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3lpe n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3lpe s MET 60 N -0.30 4.36 0.61 1.61 1.75 0.15 -5.00 119.30 122.48 3lpe s MET 60 Ca 0.00 1.76 -0.18 0.00 -1.25 0.00 0.00 55.69 56.02 3lpe s MET 60 Cb 0.00 -3.51 -0.03 0.00 2.84 0.00 0.00 34.83 34.14 3lpe s MET 60 CO 0.00 -0.43 1.21 -2.14 -0.65 0.00 0.00 175.02 173.01 3lpe s PRO 61 N 1.96 2.86 -0.37 4.11 0.02 -1.26 -3.43 135.00 138.89 3lpe s PRO 61 Ca 0.58 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3lpe s PRO 61 Cb -0.27 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3lpe s PRO 61 CO 0.25 -1.29 0.00 0.54 -0.33 0.00 0.00 177.00 176.17 3lpe n ARG 62 N -1.76 -0.86 -4.39 5.54 1.74 -1.26 -4.99 116.66 110.68 3lpe n ARG 62 Ca 0.14 0.45 -0.34 0.00 -0.77 0.00 0.00 57.85 57.33 3lpe n ARG 62 Cb 0.50 -4.24 -0.12 0.00 -1.02 0.00 0.00 32.46 27.58 3lpe n ARG 62 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3lpe s VAL 63 N -1.82 3.92 -0.07 1.55 1.01 -1.22 -1.87 120.40 121.90 3lpe s VAL 63 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 61.98 61.77 3lpe s VAL 63 Cb 0.00 -2.72 -0.23 0.00 0.00 0.00 0.00 36.38 33.43 3lpe s VAL 63 CO 0.00 0.49 0.58 -1.14 0.00 0.00 0.00 175.10 175.03 3lpe n ARG 64 N 3.53 0.64 -2.16 2.72 3.00 -0.16 -4.98 116.66 119.25 3lpe n ARG 64 Ca -0.17 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 3lpe n ARG 64 Cb 0.52 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 31.23 3lpe n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3lpe n GLY 65 N 1.58 -0.24 3.52 5.14 0.00 -1.24 -4.99 105.19 108.97 3lpe n GLY 65 Ca -0.19 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3lpe n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lpe s ILE 66 N -2.59 3.84 0.31 -0.61 1.01 -1.26 -0.66 121.20 121.24 3lpe s ILE 66 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3lpe s ILE 66 Cb 0.00 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 3lpe s ILE 66 CO 0.00 0.53 1.38 -0.69 0.00 0.00 0.00 174.94 176.16 3lpe s VAL 67 N 0.01 2.60 0.35 2.92 1.01 0.06 -4.95 120.40 122.40 3lpe s VAL 67 Ca 0.00 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 3lpe s VAL 67 Cb -0.13 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 3lpe s VAL 67 CO 0.03 0.12 1.26 -2.84 0.00 0.00 0.00 175.10 173.66 3lpe s PRO 68 N -1.32 4.28 0.00 2.72 0.02 -1.26 -4.62 135.00 134.82 3lpe s PRO 68 Ca 0.53 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3lpe s PRO 68 Cb -0.42 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3lpe s PRO 68 CO 0.51 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 177.38 3lpe n GLY 69 N 0.80 -0.23 3.87 0.52 0.00 -1.26 -5.00 105.19 103.88 3lpe n GLY 69 Ca 0.01 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3lpe n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lpe s THR 70 N -2.99 3.62 -0.15 2.61 -4.23 -1.26 -4.68 115.64 108.56 3lpe s THR 70 Ca 0.00 0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 3lpe s THR 70 Cb 0.00 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 3lpe s THR 70 CO 0.00 -0.69 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.73 3lpe s ILE 71 N -3.29 3.93 0.38 2.99 -1.09 0.60 -4.99 121.20 119.73 3lpe s ILE 71 Ca 0.58 -0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 58.41 3lpe s ILE 71 Cb -0.12 -2.72 -0.09 0.00 -1.58 0.00 0.00 42.46 37.95 3lpe s ILE 71 CO 0.53 0.50 1.07 0.00 -1.23 0.00 0.00 174.94 175.80 3lpe s ALA 72 N 0.31 3.14 0.42 9.38 0.00 -1.26 -4.29 121.76 129.46 3lpe s ALA 72 Ca -0.03 0.77 0.12 0.00 0.00 0.00 0.00 51.96 52.82 3lpe s ALA 72 Cb -0.14 -3.30 0.97 0.00 0.00 0.00 0.00 23.12 20.65 3lpe s ALA 72 CO 0.03 -0.25 1.97 0.97 0.00 0.00 0.00 175.76 178.48 3lpe h ILE 73 N 2.35 0.91 0.00 0.00 6.09 -1.99 -0.94 117.51 123.93 3lpe h ILE 73 Ca -0.48 -0.17 -0.03 0.00 -1.37 0.00 0.00 64.86 62.82 3lpe h ILE 73 Cb 1.22 0.38 -0.00 0.00 0.47 0.00 0.00 36.82 38.88 3lpe h ILE 73 CO 0.63 0.09 -0.13 1.05 -3.07 0.00 0.00 178.15 176.72 3lpe h GLU 74 N 0.49 0.00 0.00 2.19 9.09 -2.02 -1.45 114.58 122.89 3lpe h GLU 74 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 3lpe h GLU 74 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 3lpe h GLU 74 CO -0.09 0.13 0.00 0.39 0.05 0.00 0.00 179.01 179.49 3lpe n GLU 75 N -4.09 0.17 -0.08 1.06 1.02 -0.36 -3.76 120.64 114.59 3lpe n GLU 75 Ca -0.02 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 3lpe n GLU 75 Cb 0.21 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 3lpe n GLU 75 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3lpe n ILE 76 N -2.01 1.53 -0.27 -3.67 5.41 -0.61 -4.57 119.36 115.17 3lpe n ILE 76 Ca 0.05 -0.70 0.08 0.00 1.00 0.00 0.00 62.75 63.18 3lpe n ILE 76 Cb 0.37 -1.13 0.22 0.00 -0.71 0.00 0.00 39.64 38.39 3lpe n ILE 76 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3lpe h GLU 77 N 0.01 0.27 -0.02 0.38 5.08 -1.49 0.21 114.58 119.03 3lpe h GLU 77 Ca -0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3lpe h GLU 77 Cb 2.05 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 3lpe h GLU 77 CO 0.00 0.18 0.02 -1.35 -1.00 0.00 0.00 179.01 176.85 3lpe h PRO 78 N 0.27 0.00 0.00 2.33 0.11 -1.81 -0.53 132.00 132.38 3lpe h PRO 78 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3lpe h PRO 78 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3lpe h PRO 78 CO -0.55 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.17 3lpe h LEU 79 N 0.00 0.00 -0.57 2.35 3.38 -0.85 -3.25 115.31 116.37 3lpe h LEU 79 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3lpe h LEU 79 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3lpe h LEU 79 CO -0.00 0.00 -0.60 -0.07 0.09 0.00 0.00 178.44 177.86 3lpe h LEU 80 N 0.00 0.44 -7.43 1.67 4.07 -1.07 -3.33 115.31 109.65 3lpe h LEU 80 Ca 0.00 -0.25 -0.67 0.00 0.08 0.00 0.00 57.88 57.04 3lpe h LEU 80 Cb 0.65 -0.13 -0.38 0.00 1.08 0.00 0.00 40.66 41.89 3lpe h LEU 80 CO 0.00 0.94 -0.42 -0.89 -1.08 0.00 0.00 178.44 176.98 3lpe s THR 81 N -3.84 3.41 -0.34 0.22 2.01 -1.23 -5.16 115.64 110.71 3lpe s THR 81 Ca -0.06 -3.31 0.00 0.00 0.31 0.00 0.00 61.69 58.63 3lpe s THR 81 Cb 0.11 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3lpe s THR 81 CO 0.82 -0.90 0.09 -2.65 -0.69 0.00 0.00 174.62 171.29