#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 -2.36 0.00 -0.00 -1.26 -5.14 115.22 106.46 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 0.00 4.41 -0.03 -1.40 1.00 -1.24 -4.93 119.30 117.12 3lpe s MET 1 Ca 0.00 1.85 0.03 0.00 0.00 0.00 0.00 55.69 57.57 3lpe s MET 1 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 34.83 31.52 3lpe s MET 1 CO 0.00 -0.28 -0.12 0.42 0.00 0.00 0.00 175.02 175.04 3lpe s ILE 2 N 0.96 1.00 0.07 2.53 1.01 -1.26 -1.10 121.20 124.41 3lpe s ILE 2 Ca 0.59 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.84 3lpe s ILE 2 Cb -0.31 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3lpe s ILE 2 CO 0.30 0.30 -0.21 -0.36 0.00 0.00 0.00 174.94 174.97 3lpe s PHE 3 N 0.12 1.83 -0.20 3.97 0.08 0.30 -0.53 117.98 123.54 3lpe s PHE 3 Ca -0.03 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.46 3lpe s PHE 3 Cb -0.09 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 3lpe s PHE 3 CO 0.01 0.15 0.46 0.00 -0.10 0.00 0.00 175.22 175.74 3lpe s ALA 4 N -0.97 3.55 -0.22 5.36 0.00 -1.26 -0.09 121.76 128.12 3lpe s ALA 4 Ca 0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 3lpe s ALA 4 Cb -0.09 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3lpe s ALA 4 CO 0.03 -0.40 0.07 0.08 0.00 0.00 0.00 175.76 175.54 3lpe s VAL 5 N 1.53 4.57 0.06 0.00 1.01 0.85 -0.64 120.40 127.78 3lpe s VAL 5 Ca 0.22 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3lpe s VAL 5 Cb -0.15 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3lpe s VAL 5 CO 0.09 0.39 0.89 -0.60 0.00 0.00 0.00 175.10 175.87 3lpe s ARG 6 N 1.03 4.60 0.39 2.72 3.52 0.29 -0.97 118.95 130.53 3lpe s ARG 6 Ca 0.04 1.30 0.04 0.00 -0.13 0.00 0.00 55.73 56.98 3lpe s ARG 6 Cb -0.14 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3lpe s ARG 6 CO 0.03 0.17 0.10 0.95 -0.81 0.00 0.00 175.30 175.74 3lpe s THR 7 N 0.23 0.78 0.36 4.11 -4.23 0.18 -1.24 115.64 115.83 3lpe s THR 7 Ca 0.45 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.68 3lpe s THR 7 Cb -0.22 -2.47 -0.10 0.00 1.34 0.00 0.00 72.50 71.05 3lpe s THR 7 CO 0.27 0.00 1.33 -0.04 -0.54 0.00 0.00 174.62 175.64 3lpe s MET 8 N -3.78 4.23 0.19 3.99 1.00 -0.80 -4.54 119.30 119.58 3lpe s MET 8 Ca 0.27 2.25 -0.32 0.00 0.00 0.00 0.00 55.69 57.89 3lpe s MET 8 Cb 0.04 -2.98 -0.11 0.00 0.00 0.00 0.00 34.83 31.78 3lpe s MET 8 CO 0.14 -0.31 1.64 0.08 0.00 0.00 0.00 175.02 176.57 3lpe s VAL 9 N -1.17 2.33 0.00 -6.03 1.01 -1.26 -1.65 120.40 113.63 3lpe s VAL 9 Ca 0.51 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3lpe s VAL 9 Cb -0.40 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3lpe s VAL 9 CO 0.53 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3lpe n GLY 10 N 3.85 1.33 1.44 4.51 0.00 -1.26 -4.88 105.19 110.17 3lpe n GLY 10 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 3.46 0.21 1.61 1.13 -0.66 -4.72 117.38 116.41 3lpe n GLN 11 Ca 0.00 -2.79 -0.15 0.00 -1.94 0.00 0.00 57.00 52.12 3lpe n GLN 11 Cb 0.00 -1.78 -0.08 0.00 0.11 0.00 0.00 30.24 28.48 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 3.86 -0.49 -0.74 -1.09 3.07 -1.90 -0.31 114.58 116.97 3lpe h GLU 12 Ca 0.00 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 3lpe h GLU 12 Cb 1.31 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.30 3lpe h GLU 12 CO 0.17 -0.25 0.28 0.87 -1.40 0.00 0.00 179.01 178.68 3lpe h LYS 13 N -0.64 1.12 -0.40 2.33 1.57 -1.93 -0.88 116.57 117.73 3lpe h LYS 13 Ca -0.05 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3lpe h LYS 13 Cb 0.47 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3lpe h LYS 13 CO 0.09 0.92 0.13 -0.91 -0.57 0.00 0.00 179.45 179.10 3lpe h ASN 14 N 1.07 0.11 -0.21 0.86 2.35 -1.83 -1.56 115.58 116.37 3lpe h ASN 14 Ca 0.25 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.91 3lpe h ASN 14 Cb 0.23 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3lpe h ASN 14 CO -0.02 0.10 -0.36 0.40 -1.65 0.00 0.00 177.43 175.90 3lpe h ILE 15 N 0.28 1.28 -0.88 2.81 2.04 -0.71 -2.27 117.51 120.07 3lpe h ILE 15 Ca 0.19 -1.52 0.08 0.00 1.00 0.00 0.00 64.86 64.61 3lpe h ILE 15 Cb 0.19 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 3lpe h ILE 15 CO -0.21 0.50 0.53 0.00 0.00 0.00 0.00 178.15 178.97 3lpe h ALA 16 N 0.98 1.24 -0.13 1.87 0.00 -0.83 0.90 119.26 123.30 3lpe h ALA 16 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3lpe h ALA 16 Cb 0.90 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3lpe h ALA 16 CO 0.08 0.22 0.05 0.78 0.00 0.00 0.00 179.25 180.39 3lpe h GLY 17 N 0.93 0.20 1.09 0.00 0.00 -0.92 -1.40 103.07 102.98 3lpe h GLY 17 Ca 0.40 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.63 3lpe h GLY 17 CO -0.21 0.10 0.61 1.41 0.00 0.00 0.00 176.54 178.45 3lpe h LEU 18 N 0.05 1.07 -0.28 3.11 3.38 -1.12 -2.51 115.31 119.00 3lpe h LEU 18 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3lpe h LEU 18 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3lpe h LEU 18 CO -0.00 0.78 0.12 0.24 0.09 0.00 0.00 178.44 179.66 3lpe h MET 19 N 1.26 0.42 -0.55 1.13 2.86 -0.63 -1.22 114.93 118.19 3lpe h MET 19 Ca 0.34 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 3lpe h MET 19 Cb -0.14 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3lpe h MET 19 CO -0.07 0.43 0.27 0.00 1.06 0.00 0.00 176.91 178.60 3lpe h ALA 20 N 0.96 0.71 -0.31 6.32 0.00 -1.04 0.14 119.26 126.04 3lpe h ALA 20 Ca 0.09 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lpe h ALA 20 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3lpe h ALA 20 CO -0.01 0.26 0.16 0.77 0.00 0.00 0.00 179.25 180.43 3lpe h SER 21 N 0.74 0.23 -0.26 0.00 0.02 -1.37 -2.19 113.55 110.72 3lpe h SER 21 Ca 0.19 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 3lpe h SER 21 Cb 0.10 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3lpe h SER 21 CO -0.03 0.17 -0.16 -0.09 -1.14 0.00 0.00 176.83 175.59 3lpe h ARG 22 N 0.33 0.70 -0.43 3.45 2.43 -0.69 -1.23 114.38 118.94 3lpe h ARG 22 Ca 0.13 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 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 -0.09 0.83 0.24 0.00 -1.51 0.00 0.00 179.97 179.44 3lpe h ALA 23 N 1.19 0.54 -0.01 2.80 0.00 -0.52 0.19 119.26 123.46 3lpe h ALA 23 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lpe h ALA 23 Cb 0.63 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3lpe h ALA 23 CO 0.04 0.07 -0.00 0.93 0.00 0.00 0.00 179.25 180.29 3lpe h GLU 24 N 0.55 0.02 -0.64 0.00 5.08 -1.25 -0.33 114.58 118.01 3lpe h GLU 24 Ca 0.15 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3lpe h GLU 24 Cb 0.05 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3lpe h GLU 24 CO -0.02 0.40 0.39 0.87 -1.00 0.00 0.00 179.01 179.65 3lpe h LYS 25 N -0.37 0.75 -0.09 2.33 6.56 -1.16 -2.66 116.57 121.93 3lpe h LYS 25 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3lpe h LYS 25 Cb 0.40 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 3lpe h LYS 25 CO 0.00 0.50 0.00 0.39 -2.06 0.00 0.00 179.45 178.28 3lpe n GLU 26 N -4.71 1.80 -3.77 3.15 -0.58 0.05 -4.95 120.64 111.62 3lpe n GLU 26 Ca 0.06 -1.18 -0.24 0.00 -0.42 0.00 0.00 57.16 55.38 3lpe n GLU 26 Cb 0.09 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 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 0.42 -5.05 -2.94 3.49 6.02 -0.25 -4.97 117.38 114.10 3lpe n GLN 27 Ca 0.18 0.61 -0.32 0.00 -0.01 0.00 0.00 57.00 57.45 3lpe n GLN 27 Cb 0.39 -5.25 -0.06 0.00 1.02 0.00 0.00 30.24 26.34 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 -6.87 3.95 -1.53 1.08 1.43 -0.54 -4.96 118.68 111.24 3lpe s LEU 28 Ca 0.20 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 3lpe s LEU 28 Cb -0.10 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 3lpe s LEU 28 CO 0.82 -0.32 2.59 0.47 0.23 0.00 0.00 176.35 180.14 3lpe n ASP 29 N -0.72 6.62 -4.43 2.29 8.00 -1.26 -4.85 116.55 122.19 3lpe n ASP 29 Ca 0.04 -2.74 -0.34 0.00 0.71 0.00 0.00 54.79 52.46 3lpe n ASP 29 Cb 0.54 -1.58 -0.13 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 2.28 3.70 -0.15 2.53 1.01 -1.26 -1.53 120.40 126.97 3lpe s VAL 30 Ca 0.58 -0.41 0.12 0.00 0.00 0.00 0.00 61.98 62.27 3lpe s VAL 30 Cb 0.16 -2.63 -0.18 0.00 0.00 0.00 0.00 36.38 33.73 3lpe s VAL 30 CO -0.07 0.47 0.02 -1.22 0.00 0.00 0.00 175.10 174.30 3lpe n TYR 31 N 3.92 0.00 -3.48 5.22 4.01 0.86 -4.99 117.16 122.70 3lpe n TYR 31 Ca -0.18 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 3lpe n TYR 31 Cb 0.52 -0.74 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 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 -4.99 -0.50 -0.02 7.72 1.04 -1.19 -5.01 113.70 110.74 3lpe s SER 32 Ca -0.10 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3lpe s SER 32 Cb 0.05 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.79 3lpe s SER 32 CO 0.59 -0.98 0.02 -0.63 0.98 0.00 0.00 173.24 173.21 3lpe s ILE 33 N -3.77 0.06 -0.10 -1.02 1.01 -1.26 -1.22 121.20 114.90 3lpe s ILE 33 Ca 0.02 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3lpe s ILE 33 Cb -0.01 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.30 3lpe s ILE 33 CO -0.11 0.12 -0.11 -0.22 0.00 0.00 0.00 174.94 174.61 3lpe s LEU 34 N 1.04 1.51 -0.31 2.97 2.96 0.53 -4.96 118.68 122.42 3lpe s LEU 34 Ca -0.09 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3lpe s LEU 34 Cb -0.13 -0.91 0.09 0.00 0.50 0.00 0.00 46.19 45.73 3lpe s LEU 34 CO -0.02 -0.03 0.00 0.00 -1.32 0.00 0.00 176.35 174.98 3lpe s ALA 35 N 1.14 2.64 -0.10 5.97 0.00 -1.26 -0.86 121.76 129.30 3lpe s ALA 35 Ca -0.05 -2.18 -0.10 0.00 0.00 0.00 0.00 51.96 49.63 3lpe s ALA 35 Cb -0.14 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 3lpe s ALA 35 CO -0.02 -1.51 0.24 0.45 0.00 0.00 0.00 175.76 174.91 3lpe s SER 36 N 1.04 6.50 0.60 0.00 0.15 -1.26 -4.95 113.70 115.78 3lpe s SER 36 Ca 0.04 0.60 0.36 0.00 0.70 0.00 0.00 55.95 57.65 3lpe s SER 36 Cb -0.19 -2.14 1.88 0.00 -1.71 0.00 0.00 66.02 63.86 3lpe s SER 36 CO -0.08 0.32 2.20 -0.33 1.20 0.00 0.00 173.24 176.55 3lpe h GLU 37 N 5.27 0.00 -0.31 5.44 4.39 -1.98 -0.81 114.58 126.58 3lpe h GLU 37 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3lpe h GLU 37 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3lpe h GLU 37 CO 0.63 0.03 0.00 -1.13 -1.16 0.00 0.00 179.01 177.38 3lpe n SER 38 N -3.29 2.00 -3.33 1.42 3.41 -1.26 -4.31 113.62 108.25 3lpe n SER 38 Ca -0.02 -1.89 -0.26 0.00 -0.26 0.00 0.00 58.87 56.45 3lpe n SER 38 Cb 0.17 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.57 0.91 -4.76 1.04 7.94 -0.31 -5.11 117.00 117.28 3lpe n LEU 39 Ca 0.15 -4.80 -0.40 0.00 -1.11 0.00 0.00 56.01 49.85 3lpe n LEU 39 Cb 0.34 0.27 -0.04 0.00 0.53 0.00 0.00 43.42 44.52 3lpe n LEU 39 CO 0.11 2.00 0.79 -0.54 -1.11 0.00 0.00 177.39 178.64 3lpe s LYS 40 N -1.18 4.58 0.00 1.96 1.02 -1.26 -3.35 119.74 121.52 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 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3lpe s LYS 40 CO -0.12 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 3lpe n GLY 41 N 1.10 0.68 3.03 -3.33 0.00 -1.26 -4.96 105.19 100.45 3lpe n GLY 41 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.38 0.07 -0.03 1.61 1.51 -1.21 0.47 117.35 117.38 3lpe s TYR 42 Ca 0.00 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 3lpe s TYR 42 Cb 0.00 -0.07 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 3lpe s TYR 42 CO 0.00 -0.20 -0.18 0.08 -1.11 0.00 0.00 175.55 174.14 3lpe s VAL 43 N -1.03 1.46 -0.16 0.71 1.01 -0.14 -4.67 120.40 117.57 3lpe s VAL 43 Ca -0.11 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3lpe s VAL 43 Cb -0.06 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3lpe s VAL 43 CO 0.00 0.42 0.19 -0.76 0.00 0.00 0.00 175.10 174.95 3lpe s LEU 44 N -0.23 4.27 -0.17 3.92 1.43 -0.04 -0.10 118.68 127.75 3lpe s LEU 44 Ca 0.02 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3lpe s LEU 44 Cb -0.09 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.97 3lpe s LEU 44 CO 0.01 0.21 -0.12 -0.69 0.23 0.00 0.00 176.35 175.99 3lpe s VAL 45 N 0.05 1.53 -0.25 -1.59 1.01 0.87 -0.35 120.40 121.67 3lpe s VAL 45 Ca 0.12 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 3lpe s VAL 45 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3lpe s VAL 45 CO 0.01 0.32 0.59 -0.70 0.00 0.00 0.00 175.10 175.33 3lpe s GLU 46 N 1.48 4.11 0.14 2.72 2.12 -0.35 -0.54 118.70 128.38 3lpe s GLU 46 Ca 0.02 0.48 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 3lpe s GLU 46 Cb -0.14 -3.64 -0.00 0.00 0.26 0.00 0.00 34.13 30.60 3lpe s GLU 46 CO -0.09 -0.37 0.27 0.00 -0.54 0.00 0.00 175.26 174.53 3lpe s ALA 47 N 2.35 -0.10 0.13 6.30 0.00 -0.26 -0.10 121.76 130.08 3lpe s ALA 47 Ca 0.25 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 3lpe s ALA 47 Cb -0.16 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 3lpe s ALA 47 CO 0.09 -0.61 1.44 1.49 0.00 0.00 0.00 175.76 178.16 3lpe h GLU 48 N 2.59 0.87 -4.39 0.00 4.57 -1.55 -3.29 114.58 113.37 3lpe h GLU 48 Ca -0.32 -0.49 -0.17 0.00 -1.18 0.00 0.00 59.36 57.20 3lpe h GLU 48 Cb 1.22 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 29.69 3lpe h GLU 48 CO 0.50 1.13 -0.67 0.95 -1.18 0.00 0.00 179.01 179.74 3lpe s THR 49 N -4.30 0.25 0.33 0.32 -4.23 -1.26 -4.69 115.64 102.05 3lpe s THR 49 Ca -0.11 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 3lpe s THR 49 Cb 0.10 -1.80 0.14 0.00 1.34 0.00 0.00 72.50 72.29 3lpe s THR 49 CO 0.87 -0.73 1.85 0.50 -0.54 0.00 0.00 174.62 176.57 3lpe h LYS 50 N 2.98 0.51 -0.72 3.99 3.64 -1.98 -2.52 116.57 122.46 3lpe h LYS 50 Ca -0.35 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 3lpe h LYS 50 Cb 1.17 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 3lpe h LYS 50 CO 0.63 0.57 0.48 0.78 -2.27 0.00 0.00 179.45 179.64 3lpe h GLY 51 N 0.86 0.92 0.97 5.01 0.00 -1.99 0.16 103.07 109.00 3lpe h GLY 51 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3lpe h GLY 51 CO 0.02 0.18 0.49 -0.55 0.00 0.00 0.00 176.54 176.69 3lpe h ASP 52 N 0.68 0.85 -0.08 0.19 3.32 -1.83 -0.88 116.42 118.68 3lpe h ASP 52 Ca 0.32 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.20 3lpe h ASP 52 Cb 0.37 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3lpe h ASP 52 CO -0.11 0.60 -0.49 0.58 -1.72 0.00 0.00 179.24 178.10 3lpe h VAL 53 N 1.00 1.30 -0.49 -1.35 2.07 -1.14 0.06 116.25 117.70 3lpe h VAL 53 Ca 0.28 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 3lpe h VAL 53 Cb -0.08 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3lpe h VAL 53 CO -0.07 0.54 0.27 -0.33 0.02 0.00 0.00 177.57 178.00 3lpe h GLU 54 N 0.51 0.68 -0.28 1.57 4.39 -0.76 -1.73 114.58 118.96 3lpe h GLU 54 Ca 0.02 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 3lpe h GLU 54 Cb 1.04 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 3lpe h GLU 54 CO 0.10 0.53 -0.34 1.49 -1.16 0.00 0.00 179.01 179.63 3lpe h GLU 55 N 0.65 0.62 -0.59 2.33 4.57 -1.03 -1.98 114.58 119.16 3lpe h GLU 55 Ca 0.17 -0.29 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3lpe h GLU 55 Cb 0.04 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3lpe h GLU 55 CO -0.03 0.87 0.35 1.25 -1.18 0.00 0.00 179.01 180.28 3lpe h LEU 56 N 0.52 0.57 -1.02 1.64 5.85 -0.58 -2.91 115.31 119.38 3lpe h LEU 56 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3lpe h LEU 56 Cb 0.83 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3lpe h LEU 56 CO 0.07 0.40 -0.24 2.30 -0.34 0.00 0.00 178.44 180.63 3lpe n ILE 57 N -4.75 0.00 -1.56 4.05 -5.35 -0.69 -4.82 119.36 106.25 3lpe n ILE 57 Ca 0.05 -0.26 -0.50 0.00 -0.27 0.00 0.00 62.75 61.77 3lpe n ILE 57 Cb 0.08 0.92 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 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 0.09 1.50 -0.93 6.28 4.81 -0.75 -0.95 118.16 128.20 3lpe n LYS 58 Ca 0.13 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3lpe n LYS 58 Cb 0.44 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 5.62 0.48 3.69 3.14 0.00 -1.26 -4.99 105.19 111.87 3lpe n GLY 59 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.51 4.32 0.60 1.61 1.75 -0.13 -5.00 119.30 121.94 3lpe s MET 60 Ca 0.00 1.89 -0.19 0.00 -1.25 0.00 0.00 55.69 56.14 3lpe s MET 60 Cb 0.00 -3.52 -0.03 0.00 2.84 0.00 0.00 34.83 34.12 3lpe s MET 60 CO 0.00 -0.50 1.22 -2.14 -0.65 0.00 0.00 175.02 172.95 3lpe s PRO 61 N 2.11 2.89 -0.23 4.11 0.02 -1.26 -3.42 135.00 139.22 3lpe s PRO 61 Ca 0.62 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3lpe s PRO 61 Cb -0.30 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3lpe s PRO 61 CO 0.26 -1.28 0.00 0.54 -0.33 0.00 0.00 177.00 176.19 3lpe n ARG 62 N -1.67 -0.74 -4.32 5.54 1.74 -1.26 -4.98 116.66 110.95 3lpe n ARG 62 Ca 0.14 0.35 -0.34 0.00 -0.77 0.00 0.00 57.85 57.23 3lpe n ARG 62 Cb 0.49 -4.02 -0.11 0.00 -1.02 0.00 0.00 32.46 27.80 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 -1.78 4.10 -0.10 1.55 1.01 -1.22 -1.90 120.40 122.05 3lpe s VAL 63 Ca 0.00 -0.29 0.15 0.00 0.00 0.00 0.00 61.98 61.84 3lpe s VAL 63 Cb 0.00 -2.80 -0.23 0.00 0.00 0.00 0.00 36.38 33.35 3lpe s VAL 63 CO 0.00 0.50 0.48 -1.14 0.00 0.00 0.00 175.10 174.94 3lpe n ARG 64 N 3.40 0.65 -2.70 2.72 3.00 -0.37 -4.99 116.66 118.37 3lpe n ARG 64 Ca -0.17 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3lpe n ARG 64 Cb 0.52 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.28 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 1.59 -0.39 3.48 5.14 0.00 -1.24 -4.99 105.19 108.77 3lpe n GLY 65 Ca -0.21 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.79 3.64 0.28 -0.61 1.01 -1.26 -0.55 121.20 120.92 3lpe s ILE 66 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 3lpe s ILE 66 Cb 0.00 -2.56 -0.10 0.00 0.01 0.00 0.00 42.46 39.80 3lpe s ILE 66 CO 0.00 0.52 1.43 -0.69 0.00 0.00 0.00 174.94 176.20 3lpe s VAL 67 N 0.18 2.56 0.31 2.92 1.01 0.18 -4.95 120.40 122.61 3lpe s VAL 67 Ca -0.04 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3lpe s VAL 67 Cb -0.14 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3lpe s VAL 67 CO 0.03 0.09 1.33 -2.84 0.00 0.00 0.00 175.10 173.71 3lpe s PRO 68 N -0.79 4.35 0.00 2.72 0.02 -1.26 -4.60 135.00 135.43 3lpe s PRO 68 Ca 0.57 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3lpe s PRO 68 Cb -0.42 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.01 3lpe s PRO 68 CO 0.47 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 3lpe n GLY 69 N 1.09 -0.93 3.84 0.52 0.00 -1.26 -5.00 105.19 103.46 3lpe n GLY 69 Ca 0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.17 3.14 -0.18 2.61 -4.23 -1.26 -4.71 115.64 107.84 3lpe s THR 70 Ca 0.00 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 3lpe s THR 70 Cb 0.00 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3lpe s THR 70 CO 0.00 -0.48 -0.02 -0.63 -0.54 0.00 0.00 174.62 172.95 3lpe s ILE 71 N -3.28 3.91 0.43 2.99 -1.09 0.31 -4.99 121.20 119.48 3lpe s ILE 71 Ca 0.60 -0.34 -0.24 0.00 -2.23 0.00 0.00 60.65 58.44 3lpe s ILE 71 Cb -0.13 -2.74 -0.08 0.00 -1.58 0.00 0.00 42.46 37.93 3lpe s ILE 71 CO 0.53 0.46 1.15 0.00 -1.23 0.00 0.00 174.94 175.85 3lpe s ALA 72 N 0.69 3.05 0.38 9.38 0.00 -1.26 -4.28 121.76 129.71 3lpe s ALA 72 Ca -0.01 0.91 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3lpe s ALA 72 Cb -0.14 -3.36 0.81 0.00 0.00 0.00 0.00 23.12 20.43 3lpe s ALA 72 CO 0.02 -0.55 1.96 0.97 0.00 0.00 0.00 175.76 178.16 3lpe h ILE 73 N 2.06 0.98 0.00 0.00 6.09 -1.99 -0.95 117.51 123.70 3lpe h ILE 73 Ca -0.49 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 62.76 3lpe h ILE 73 Cb 1.24 0.25 -0.00 0.00 0.47 0.00 0.00 36.82 38.78 3lpe h ILE 73 CO 0.61 0.12 -0.06 1.05 -3.07 0.00 0.00 178.15 176.80 3lpe h GLU 74 N 0.67 0.00 0.00 2.19 9.09 -2.02 -1.21 114.58 123.30 3lpe h GLU 74 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 3lpe h GLU 74 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3lpe h GLU 74 CO -0.10 0.06 0.00 0.39 0.05 0.00 0.00 179.01 179.41 3lpe n GLU 75 N -4.25 0.25 -0.05 1.06 1.02 -0.37 -3.69 120.64 114.61 3lpe n GLU 75 Ca -0.03 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 3lpe n GLU 75 Cb 0.15 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 29.60 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 -2.28 1.60 -0.28 -3.67 5.41 -0.52 -4.54 119.36 115.06 3lpe n ILE 76 Ca 0.05 -0.71 0.10 0.00 1.00 0.00 0.00 62.75 63.19 3lpe n ILE 76 Cb 0.39 -1.24 0.25 0.00 -0.71 0.00 0.00 39.64 38.33 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 0.02 0.32 0.00 0.38 5.08 -1.46 0.16 114.58 119.09 3lpe h GLU 77 Ca -0.45 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3lpe h GLU 77 Cb 2.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 3lpe h GLU 77 CO 0.03 0.21 -0.03 -1.35 -1.00 0.00 0.00 179.01 176.88 3lpe h PRO 78 N 0.33 0.00 0.00 2.33 0.11 -1.80 -0.50 132.00 132.47 3lpe h PRO 78 Ca 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.59 3lpe h PRO 78 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3lpe h PRO 78 CO -0.53 0.03 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.13 3lpe h LEU 79 N 0.00 0.00 -0.62 2.35 3.38 -0.95 -3.25 115.31 116.22 3lpe h LEU 79 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3lpe h LEU 79 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3lpe h LEU 79 CO 0.00 0.08 -0.52 -0.07 0.09 0.00 0.00 178.44 178.03 3lpe h LEU 80 N 0.00 0.51 -7.45 1.67 4.07 -1.08 -3.32 115.31 109.71 3lpe h LEU 80 Ca -0.00 -0.26 -0.68 0.00 0.08 0.00 0.00 57.88 57.02 3lpe h LEU 80 Cb 0.55 -0.15 -0.37 0.00 1.08 0.00 0.00 40.66 41.77 3lpe h LEU 80 CO 0.01 0.93 -0.42 -0.89 -1.08 0.00 0.00 178.44 176.99 3lpe s THR 81 N -4.02 3.41 -0.40 0.22 2.01 -1.23 -5.16 115.64 110.47 3lpe s THR 81 Ca -0.06 -3.26 0.00 0.00 0.31 0.00 0.00 61.69 58.68 3lpe s THR 81 Cb 0.12 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3lpe s THR 81 CO 0.82 -0.89 0.10 -2.65 -0.69 0.00 0.00 174.62 171.31