#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dt7 n SER 1 N 0.00 -5.46 0.00 3.17 2.88 -1.26 -4.77 113.62 108.18 1dt7 n SER 1 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1dt7 n SER 1 Cb 0.00 -3.61 0.02 0.00 -0.75 0.00 0.00 64.21 59.87 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1dt7 n GLU 2 N -0.70 0.81 -0.36 -1.46 0.28 -1.26 -3.74 120.64 114.21 1dt7 n GLU 2 Ca -0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.91 1dt7 n GLU 2 Cb 0.50 -1.01 0.12 0.00 1.43 0.00 0.00 31.44 32.49 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h LEU 3 N 0.00 1.13 -1.01 -1.84 6.46 -2.00 -2.36 115.31 115.69 1dt7 h LEU 3 Ca 0.00 -0.03 0.17 0.00 -0.12 0.00 0.00 57.88 57.90 1dt7 h LEU 3 Cb 0.00 -0.28 -0.10 0.00 -0.73 0.00 0.00 40.66 39.55 1dt7 h LEU 3 CO 0.00 0.82 0.62 -0.33 -0.62 0.00 0.00 178.44 178.93 1dt7 h GLU 4 N 1.33 0.80 -0.20 1.25 5.08 -1.99 0.16 114.58 121.02 1dt7 h GLU 4 Ca 0.36 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1dt7 h GLU 4 Cb -0.15 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 1dt7 h GLU 4 CO -0.08 0.53 -0.43 0.87 -1.00 0.00 0.00 179.01 178.90 1dt7 h LYS 5 N 0.82 0.48 -0.38 2.33 1.57 -1.73 -2.99 116.57 116.67 1dt7 h LYS 5 Ca 0.56 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 1dt7 h LYS 5 Cb 0.80 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1dt7 h LYS 5 CO -0.36 0.82 -0.41 0.00 -0.57 0.00 0.00 179.45 178.94 1dt7 h ALA 6 N 1.14 0.56 -0.58 3.86 0.00 -0.56 -1.77 119.26 121.91 1dt7 h ALA 6 Ca 0.03 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1dt7 h ALA 6 Cb 0.92 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1dt7 h ALA 6 CO 0.08 0.68 -0.06 0.52 0.00 0.00 0.00 179.25 180.47 1dt7 h MET 7 N 0.76 1.07 -0.23 0.00 2.86 -1.26 -2.55 114.93 115.57 1dt7 h MET 7 Ca 0.06 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.21 1dt7 h MET 7 Cb 1.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1dt7 h MET 7 CO 0.10 1.07 -0.35 0.28 1.06 0.00 0.00 176.91 179.07 1dt7 h VAL 8 N 0.96 1.29 -0.45 -2.22 2.07 -1.51 -3.13 116.25 113.26 1dt7 h VAL 8 Ca 0.16 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.08 1dt7 h VAL 8 Cb 0.63 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1dt7 h VAL 8 CO 0.04 0.46 -0.23 0.00 0.02 0.00 0.00 177.57 177.87 1dt7 h ALA 9 N 1.20 0.76 -1.01 1.67 0.00 -1.03 -2.31 119.26 118.55 1dt7 h ALA 9 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1dt7 h ALA 9 Cb 0.81 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1dt7 h ALA 9 CO 0.07 0.66 0.67 -0.07 0.00 0.00 0.00 179.25 180.57 1dt7 h LEU 10 N 0.79 1.15 -0.62 0.00 3.38 -1.41 -2.11 115.31 116.50 1dt7 h LEU 10 Ca 0.10 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1dt7 h LEU 10 Cb 0.78 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1dt7 h LEU 10 CO 0.06 0.83 -0.05 0.40 0.09 0.00 0.00 178.44 179.78 1dt7 h ILE 11 N 1.36 1.27 -0.54 1.22 2.04 -1.52 -2.60 117.51 118.74 1dt7 h ILE 11 Ca 0.37 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1dt7 h ILE 11 Cb -0.15 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1dt7 h ILE 11 CO -0.08 0.43 0.09 0.44 0.00 0.00 0.00 178.15 179.03 1dt7 h ASP 12 N 0.94 0.85 -0.16 1.72 3.32 -0.82 -2.28 116.42 119.99 1dt7 h ASP 12 Ca 0.16 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.76 1dt7 h ASP 12 Cb 0.61 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1dt7 h ASP 12 CO 0.04 0.89 -0.64 0.58 -1.72 0.00 0.00 179.24 178.39 1dt7 h VAL 13 N 0.77 1.31 -0.93 -1.35 2.07 -1.49 -3.08 116.25 113.54 1dt7 h VAL 13 Ca 0.16 -1.87 0.03 0.00 0.82 0.00 0.00 66.70 65.84 1dt7 h VAL 13 Cb 0.40 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1dt7 h VAL 13 CO 0.01 0.59 0.62 0.15 0.02 0.00 0.00 177.57 178.95 1dt7 h PHE 14 N 0.41 1.15 -0.49 1.57 3.57 -1.45 -1.47 116.94 120.23 1dt7 h PHE 14 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1dt7 h PHE 14 Cb 1.27 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1dt7 h PHE 14 CO 0.09 0.68 0.20 1.25 -2.23 0.00 0.00 178.31 178.31 1dt7 h HIS 15 N 1.20 0.70 -1.01 0.41 2.76 -1.35 -1.32 115.15 116.54 1dt7 h HIS 15 Ca 0.36 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1dt7 h HIS 15 Cb -0.04 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.65 1dt7 h HIS 15 CO -0.00 0.54 0.67 1.96 -1.30 0.00 0.00 177.93 179.79 1dt7 h GLN 16 N 0.70 1.31 0.00 5.26 1.08 -1.18 -2.99 115.11 119.29 1dt7 h GLN 16 Ca 0.17 -0.08 -0.19 0.00 -1.45 0.00 0.00 58.65 57.10 1dt7 h GLN 16 Cb 0.13 -0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1dt7 h GLN 16 CO -0.02 0.87 -1.63 0.66 -0.95 0.00 0.00 178.83 177.76 1dt7 n TYR 17 N -4.39 0.76 -0.38 2.96 4.02 -1.10 -4.17 117.16 114.86 1dt7 n TYR 17 Ca 0.12 0.26 -0.02 0.00 -0.01 0.00 0.00 57.90 58.25 1dt7 n TYR 17 Cb 0.02 -1.03 0.11 0.00 -0.02 0.00 0.00 39.34 38.42 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1dt7 h SER 18 N 0.00 1.16 -0.15 7.72 0.02 -1.15 -2.16 113.55 118.99 1dt7 h SER 18 Ca -0.21 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 1dt7 h SER 18 Cb 1.66 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.86 1dt7 h SER 18 CO 0.04 0.84 -0.00 0.61 -1.14 0.00 0.00 176.83 177.18 1dt7 n GLY 19 N -1.38 3.01 0.00 -3.77 0.00 -1.14 -3.40 105.19 98.52 1dt7 n GLY 19 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1dt7 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dt7 n ARG 20 N 1.53 0.00 -0.00 1.61 5.12 -0.82 -4.65 116.66 119.45 1dt7 n ARG 20 Ca 0.19 0.50 0.07 0.00 -1.93 0.00 0.00 57.85 56.67 1dt7 n ARG 20 Cb 0.62 -1.00 -0.09 0.00 -1.16 0.00 0.00 32.46 30.83 1dt7 n ARG 20 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1dt7 n GLU 21 N -1.99 1.90 0.00 5.56 0.28 -1.26 -4.96 120.64 120.16 1dt7 n GLU 21 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1dt7 n GLU 21 Cb 0.00 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 31.67 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dt7 n GLY 22 N 1.44 0.51 2.96 -1.84 0.00 -1.26 -5.04 105.19 101.96 1dt7 n GLY 22 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1dt7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dt7 n ASP 23 N 0.00 4.24 -0.06 1.61 8.00 -1.25 -4.68 116.55 124.42 1dt7 n ASP 23 Ca 0.00 -2.88 -0.13 0.00 0.71 0.00 0.00 54.79 52.49 1dt7 n ASP 23 Cb 0.00 -1.67 -0.07 0.00 -0.02 0.00 0.00 41.12 39.36 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dt7 h LYS 24 N 6.39 0.40 -0.01 -1.24 1.57 -1.95 -3.15 116.57 118.58 1dt7 h LYS 24 Ca 0.52 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1dt7 h LYS 24 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1dt7 h LYS 24 CO 1.75 0.78 -0.08 0.72 -0.57 0.00 0.00 179.45 182.05 1dt7 n HIS 25 N -4.51 0.00 -3.98 -1.35 8.25 -1.26 -4.80 115.22 107.57 1dt7 n HIS 25 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 1dt7 n HIS 25 Cb 0.38 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.33 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1dt7 s LYS 26 N -2.18 0.29 -0.14 -0.41 2.20 -1.19 -3.75 119.74 114.57 1dt7 s LYS 26 Ca 0.34 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 1dt7 s LYS 26 Cb 0.20 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1dt7 s LYS 26 CO 0.40 -0.03 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.98 1dt7 s LEU 27 N -1.23 2.14 0.17 5.43 2.96 -0.73 -4.53 118.68 122.89 1dt7 s LEU 27 Ca -0.13 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.11 1dt7 s LEU 27 Cb -0.08 -1.45 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 1dt7 s LEU 27 CO -0.01 0.09 0.47 -0.75 -1.32 0.00 0.00 176.35 174.83 1dt7 s LYS 28 N 0.77 3.74 0.64 1.98 2.20 -1.26 -0.96 119.74 126.84 1dt7 s LYS 28 Ca -0.08 0.13 0.19 0.00 -0.36 0.00 0.00 55.97 55.86 1dt7 s LYS 28 Cb -0.16 -2.78 0.92 0.00 -1.51 0.00 0.00 37.83 34.31 1dt7 s LYS 28 CO -0.01 0.41 1.49 1.57 -0.36 0.00 0.00 175.35 178.45 1dt7 h LYS 29 N 2.84 0.00 -0.00 4.03 2.10 -1.92 0.91 116.57 124.52 1dt7 h LYS 29 Ca -0.47 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.15 1dt7 h LYS 29 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dt7 h LYS 29 CO 0.70 0.00 -0.13 0.66 -2.00 0.00 0.00 179.45 178.68 1dt7 h SER 30 N 0.00 0.12 -0.15 7.07 4.64 -1.91 -2.41 113.55 120.91 1dt7 h SER 30 Ca 0.14 -0.77 -0.09 0.00 -0.47 0.00 0.00 61.79 60.60 1dt7 h SER 30 Cb 1.67 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 1dt7 h SER 30 CO -0.00 0.88 -0.18 -0.33 -0.87 0.00 0.00 176.83 176.32 1dt7 h GLU 31 N -0.62 0.56 -0.80 4.77 5.08 0.32 -2.76 114.58 121.13 1dt7 h GLU 31 Ca -0.02 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1dt7 h GLU 31 Cb 0.89 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1dt7 h GLU 31 CO 0.03 0.72 0.53 1.25 -1.00 0.00 0.00 179.01 180.53 1dt7 h LEU 32 N 0.51 0.92 -0.94 1.33 5.85 -0.68 -2.03 115.31 120.27 1dt7 h LEU 32 Ca 0.08 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1dt7 h LEU 32 Cb 0.60 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1dt7 h LEU 32 CO 0.04 0.67 0.54 0.50 -0.34 0.00 0.00 178.44 179.85 1dt7 h LYS 33 N 1.08 1.28 -0.50 1.25 3.64 -1.13 -2.09 116.57 120.10 1dt7 h LYS 33 Ca 0.29 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1dt7 h LYS 33 Cb -0.12 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.42 1dt7 h LYS 33 CO -0.06 0.91 -0.13 0.93 -2.27 0.00 0.00 179.45 178.83 1dt7 h GLU 34 N 1.29 0.95 -0.09 1.90 5.08 -1.35 0.73 114.58 123.09 1dt7 h GLU 34 Ca 0.33 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1dt7 h GLU 34 Cb -0.03 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1dt7 h GLU 34 CO -0.06 1.01 0.03 1.25 -1.00 0.00 0.00 179.01 180.25 1dt7 h LEU 35 N 0.84 0.14 -0.06 1.33 6.46 -1.02 -0.61 115.31 122.39 1dt7 h LEU 35 Ca 0.13 -0.20 -0.13 0.00 -0.12 0.00 0.00 57.88 57.56 1dt7 h LEU 35 Cb 0.68 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1dt7 h LEU 35 CO 0.05 0.30 -0.48 0.40 -0.62 0.00 0.00 178.44 178.09 1dt7 h ILE 36 N -0.03 1.41 -0.39 4.05 2.04 -1.29 -0.61 117.51 122.69 1dt7 h ILE 36 Ca 0.03 -1.88 -0.14 0.00 1.00 0.00 0.00 64.86 63.87 1dt7 h ILE 36 Cb 0.21 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1dt7 h ILE 36 CO -0.00 0.55 -0.32 -1.13 0.00 0.00 0.00 178.15 177.25 1dt7 h ASN 37 N -0.05 0.91 0.05 1.72 -0.73 0.46 -2.69 115.58 115.26 1dt7 h ASN 37 Ca -0.04 -0.38 -0.37 0.00 1.87 0.00 0.00 56.30 57.37 1dt7 h ASN 37 Cb 1.15 -0.25 -0.06 0.00 0.27 0.00 0.00 38.32 39.42 1dt7 h ASN 37 CO 0.10 1.15 -2.34 0.59 -0.37 0.00 0.00 177.43 176.56 1dt7 n ASN 38 N -4.07 1.16 0.07 1.15 5.03 -0.24 -3.79 115.26 114.56 1dt7 n ASN 38 Ca -0.01 -0.01 0.10 0.00 0.87 0.00 0.00 54.58 55.53 1dt7 n ASN 38 Cb 0.50 0.10 -0.05 0.00 -1.02 0.00 0.00 39.78 39.32 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dt7 n GLU 39 N -3.07 0.62 -0.58 3.52 4.07 -0.25 -4.15 120.64 120.80 1dt7 n GLU 39 Ca -0.37 0.06 0.04 0.00 -0.06 0.00 0.00 57.16 56.83 1dt7 n GLU 39 Cb 1.06 -1.76 0.20 0.00 -0.06 0.00 0.00 31.44 30.89 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1dt7 n LEU 40 N -2.61 3.08 0.24 4.31 4.77 -1.02 -4.78 117.00 121.00 1dt7 n LEU 40 Ca -0.02 -3.73 -0.10 0.00 -0.03 0.00 0.00 56.01 52.13 1dt7 n LEU 40 Cb 0.59 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1dt7 n LEU 40 CO 0.42 1.25 0.28 -1.28 -1.33 0.00 0.00 177.39 176.73 1dt7 h SER 41 N 0.90 -0.57 -0.02 -1.43 0.87 -1.65 -1.28 113.55 110.36 1dt7 h SER 41 Ca 0.06 0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.42 1dt7 h SER 41 Cb 1.19 0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.32 1dt7 h SER 41 CO 0.11 -0.19 -0.85 -0.74 -0.53 0.00 0.00 176.83 174.63 1dt7 h HIS 42 N -1.11 0.90 0.00 2.24 -0.00 -1.89 -3.26 115.15 112.03 1dt7 h HIS 42 Ca -0.07 -0.47 -0.07 0.00 -0.00 0.00 0.00 60.37 59.76 1dt7 h HIS 42 Cb 0.51 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1dt7 h HIS 42 CO 0.01 1.30 -0.31 0.35 -0.00 0.00 0.00 177.93 179.28 1dt7 h PHE 43 N 0.25 0.00 -4.28 5.26 3.57 -1.87 -3.45 116.94 116.42 1dt7 h PHE 43 Ca -0.10 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.24 1dt7 h PHE 43 Cb 1.52 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 40.11 1dt7 h PHE 43 CO 0.12 0.31 -0.67 -1.17 -2.23 0.00 0.00 178.31 174.67 1dt7 s LEU 44 N -7.26 2.15 -0.10 0.59 2.96 -0.48 -5.08 118.68 111.46 1dt7 s LEU 44 Ca -0.01 -1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 1dt7 s LEU 44 Cb 0.12 0.22 -0.07 0.00 0.50 0.00 0.00 46.19 46.96 1dt7 s LEU 44 CO 0.67 -0.65 2.07 -0.70 -1.32 0.00 0.00 176.35 176.42 1dt7 s GLU 45 N -3.97 3.64 0.50 1.98 2.56 -1.26 -4.14 118.70 118.00 1dt7 s GLU 45 Ca 0.16 2.29 -0.23 0.00 0.00 0.00 0.00 54.97 57.18 1dt7 s GLU 45 Cb 0.08 -4.26 -0.07 0.00 2.00 0.00 0.00 34.13 31.88 1dt7 s GLU 45 CO -0.04 -1.52 1.33 -1.91 -0.56 0.00 0.00 175.26 172.56 1dt7 n GLU 46 N 8.13 1.84 -2.86 4.30 2.13 -1.24 -4.92 120.64 128.02 1dt7 n GLU 46 Ca 0.24 0.66 -0.40 0.00 0.66 0.00 0.00 57.16 58.33 1dt7 n GLU 46 Cb 0.43 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1dt7 s ILE 47 N -1.26 4.21 -0.17 6.31 -1.09 -1.26 -4.96 121.20 122.98 1dt7 s ILE 47 Ca 0.67 1.91 0.16 0.00 -2.23 0.00 0.00 60.65 61.15 1dt7 s ILE 47 Cb -0.45 -4.24 -0.23 0.00 -1.58 0.00 0.00 42.46 35.97 1dt7 s ILE 47 CO 0.53 0.51 0.41 0.29 -1.23 0.00 0.00 174.94 175.45 1dt7 n LYS 48 N 1.52 0.79 -4.04 2.79 4.76 -1.26 -4.91 118.16 117.82 1dt7 n LYS 48 Ca -0.04 -0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.19 1dt7 n LYS 48 Cb 0.48 -1.34 -0.11 0.00 -1.84 0.00 0.00 35.03 32.22 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1dt7 s GLU 49 N -2.95 0.46 0.55 1.97 0.41 -1.26 -5.01 118.70 112.86 1dt7 s GLU 49 Ca -0.03 -0.81 0.33 0.00 -0.41 0.00 0.00 54.97 54.05 1dt7 s GLU 49 Cb 0.10 -0.01 1.39 0.00 -1.78 0.00 0.00 34.13 33.84 1dt7 s GLU 49 CO 0.65 -0.03 2.00 0.37 -0.49 0.00 0.00 175.26 177.75 1dt7 h GLN 50 N 4.23 0.00 -0.74 1.61 5.75 -2.00 -3.01 115.11 120.94 1dt7 h GLN 50 Ca -0.34 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1dt7 h GLN 50 Cb 1.19 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1dt7 h GLN 50 CO 0.47 0.02 0.22 1.05 -2.65 0.00 0.00 178.83 177.94 1dt7 h GLU 51 N 0.00 1.16 -0.96 1.69 4.11 -1.99 -1.53 114.58 117.07 1dt7 h GLU 51 Ca -0.00 -0.26 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 1dt7 h GLU 51 Cb 0.50 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1dt7 h GLU 51 CO 0.00 0.99 0.58 0.28 0.07 0.00 0.00 179.01 180.94 1dt7 h VAL 52 N 1.11 1.26 -0.27 -1.06 2.07 -1.96 -1.62 116.25 115.77 1dt7 h VAL 52 Ca 0.24 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1dt7 h VAL 52 Cb 0.33 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1dt7 h VAL 52 CO -0.00 0.27 -0.26 0.58 0.02 0.00 0.00 177.57 178.18 1dt7 h VAL 53 N 1.32 1.27 -0.47 2.57 2.07 -1.57 -2.09 116.25 119.35 1dt7 h VAL 53 Ca 0.34 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 1dt7 h VAL 53 Cb -0.06 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1dt7 h VAL 53 CO -0.07 0.42 -0.09 -0.78 0.02 0.00 0.00 177.57 177.08 1dt7 h ASP 54 N 0.47 0.83 -0.58 0.57 1.82 -0.39 -0.40 116.42 118.75 1dt7 h ASP 54 Ca 0.07 -0.25 -0.11 0.00 -0.39 0.00 0.00 57.03 56.35 1dt7 h ASP 54 Cb 0.70 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1dt7 h ASP 54 CO 0.05 0.95 -0.06 0.50 -1.61 0.00 0.00 179.24 179.07 1dt7 h LYS 55 N 0.77 1.06 -0.39 0.28 3.64 -1.12 -1.26 116.57 119.55 1dt7 h LYS 55 Ca 0.13 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1dt7 h LYS 55 Cb 0.59 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1dt7 h LYS 55 CO 0.04 1.07 0.11 0.28 -2.27 0.00 0.00 179.45 178.67 1dt7 h VAL 56 N 0.95 1.17 0.00 2.00 2.07 -0.97 -1.55 116.25 119.92 1dt7 h VAL 56 Ca 0.16 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 1dt7 h VAL 56 Cb 0.63 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1dt7 h VAL 56 CO 0.04 0.22 -0.47 0.24 0.02 0.00 0.00 177.57 177.62 1dt7 h MET 57 N 0.56 0.00 -0.77 1.57 2.86 0.02 0.81 114.93 119.98 1dt7 h MET 57 Ca 0.13 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.85 1dt7 h MET 57 Cb 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1dt7 h MET 57 CO -0.01 0.47 0.50 0.93 1.06 0.00 0.00 176.91 179.87 1dt7 h GLU 58 N 0.00 0.74 0.04 1.72 4.39 -0.28 3.31 114.58 124.51 1dt7 h GLU 58 Ca -0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1dt7 h GLU 58 Cb 0.86 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1dt7 h GLU 58 CO 0.06 0.49 -0.34 1.15 -1.16 0.00 0.00 179.01 179.21 1dt7 h THR 59 N 0.77 1.63 0.00 1.13 2.02 -1.32 -3.35 112.91 113.78 1dt7 h THR 59 Ca 0.34 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1dt7 h THR 59 Cb 0.33 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1dt7 h THR 59 CO -0.12 0.62 -0.53 0.18 0.37 0.00 0.00 175.52 176.04 1dt7 n LEU 60 N -4.42 0.54 -3.22 2.58 4.77 0.20 -4.30 117.00 113.15 1dt7 n LEU 60 Ca -0.11 0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1dt7 n LEU 60 Cb 0.60 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1dt7 n LEU 60 CO 0.40 0.06 3.23 -0.67 -1.33 0.00 0.00 177.39 179.08 1dt7 n ASP 61 N -1.71 8.27 -0.33 -1.43 -0.08 1.10 -4.53 116.55 117.83 1dt7 n ASP 61 Ca 0.05 -2.54 0.02 0.00 -1.51 0.00 0.00 54.79 50.81 1dt7 n ASP 61 Cb 0.37 -1.51 0.20 0.00 2.34 0.00 0.00 41.12 42.52 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1dt7 h GLU 62 N 4.99 1.10 0.00 -0.67 5.08 -1.80 0.50 114.58 123.78 1dt7 h GLU 62 Ca 0.81 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1dt7 h GLU 62 Cb 0.34 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1dt7 h GLU 62 CO 1.67 0.73 0.00 -0.25 -1.00 0.00 0.00 179.01 180.16 1dt7 n ASP 63 N -4.47 0.00 -2.02 1.42 8.00 -1.26 -4.87 116.55 113.35 1dt7 n ASP 63 Ca 0.14 0.50 -0.18 0.00 0.71 0.00 0.00 54.79 55.96 1dt7 n ASP 63 Cb 0.16 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dt7 n GLY 64 N 0.74 -0.36 0.72 0.44 0.00 0.18 -4.87 105.19 102.04 1dt7 n GLY 64 Ca 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1dt7 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dt7 n ASP 65 N -1.37 2.61 0.00 1.61 5.75 -1.26 -4.93 116.55 118.96 1dt7 n ASP 65 Ca -0.21 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1dt7 n ASP 65 Cb 0.66 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 66 N 0.93 0.81 2.88 6.12 0.00 -1.26 -4.99 105.19 109.68 1dt7 n GLY 66 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1dt7 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.00 0.58 -0.20 1.61 2.02 -1.26 -3.01 118.70 118.44 1dt7 s GLU 67 Ca 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.83 1dt7 s GLU 67 Cb 0.00 -0.64 -0.05 0.00 0.10 0.00 0.00 34.13 33.54 1dt7 s GLU 67 CO 0.00 -0.06 0.12 0.00 0.02 0.00 0.00 175.26 175.34 1dt7 s ASP 69 N 0.34 3.36 0.31 0.00 -4.77 -1.26 -1.77 116.67 112.88 1dt7 s ASP 69 Ca 0.08 0.97 0.08 0.00 -3.30 0.00 0.00 52.55 50.38 1dt7 s ASP 69 Cb -0.11 -1.55 0.82 0.00 -1.09 0.00 0.00 42.92 40.99 1dt7 s ASP 69 CO -0.02 -2.65 1.75 0.15 0.70 0.00 0.00 175.17 175.11 1dt7 h PHE 70 N -1.56 1.04 -0.14 2.11 3.57 -1.91 0.49 116.94 120.53 1dt7 h PHE 70 Ca -0.51 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1dt7 h PHE 70 Cb 1.33 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1dt7 h PHE 70 CO 0.24 0.14 0.07 0.37 -2.23 0.00 0.00 178.31 176.90 1dt7 h GLN 71 N 0.67 0.20 -1.00 1.11 4.15 -1.90 -1.58 115.11 116.76 1dt7 h GLN 71 Ca 0.62 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 60.02 1dt7 h GLN 71 Cb 1.07 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 1dt7 h GLN 71 CO -0.43 0.26 0.66 0.93 -1.93 0.00 0.00 178.83 178.32 1dt7 h GLU 72 N 0.10 1.32 -0.22 1.69 5.08 -1.26 -1.52 114.58 119.76 1dt7 h GLU 72 Ca 0.05 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1dt7 h GLU 72 Cb 0.12 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1dt7 h GLU 72 CO -0.01 0.87 -0.24 0.35 -1.00 0.00 0.00 179.01 178.99 1dt7 h PHE 73 N 1.36 0.45 -0.86 4.33 3.04 -1.09 -2.79 116.94 121.37 1dt7 h PHE 73 Ca 0.37 -0.09 0.01 0.00 3.98 0.00 0.00 57.97 62.24 1dt7 h PHE 73 Cb -0.16 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.20 1dt7 h PHE 73 CO -0.00 0.62 0.57 0.52 -2.02 0.00 0.00 178.31 177.99 1dt7 h MET 74 N 0.36 1.13 -0.03 1.11 2.86 -0.25 -2.25 114.93 117.86 1dt7 h MET 74 Ca 0.06 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1dt7 h MET 74 Cb 0.62 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1dt7 h MET 74 CO 0.04 0.75 -0.43 0.00 1.06 0.00 0.00 176.91 178.34 1dt7 h ALA 75 N 1.46 1.22 0.00 6.32 0.00 -1.27 -2.97 119.26 124.03 1dt7 h ALA 75 Ca 0.31 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 75 Cb -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dt7 h ALA 75 CO -0.07 0.56 -0.43 0.35 0.00 0.00 0.00 179.25 179.66 1dt7 h PHE 76 N 0.06 0.00 -0.03 0.00 3.57 -1.41 -2.93 116.94 116.21 1dt7 h PHE 76 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1dt7 h PHE 76 Cb 0.79 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1dt7 h PHE 76 CO 0.00 0.43 -0.75 0.28 -2.23 0.00 0.00 178.31 176.05 1dt7 h VAL 77 N 0.00 1.44 -0.49 1.41 2.07 -1.44 -2.67 116.25 116.58 1dt7 h VAL 77 Ca -0.00 -2.32 -0.12 0.00 0.82 0.00 0.00 66.70 65.08 1dt7 h VAL 77 Cb 0.77 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1dt7 h VAL 77 CO 0.06 0.68 -0.14 0.28 0.02 0.00 0.00 177.57 178.46 1dt7 h SER 78 N 0.14 0.98 -0.17 0.57 0.02 -1.49 -2.40 113.55 111.21 1dt7 h SER 78 Ca -0.03 -0.37 -0.14 0.00 -0.84 0.00 0.00 61.79 60.42 1dt7 h SER 78 Cb 1.32 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1dt7 h SER 78 CO 0.11 1.12 -0.43 0.00 -1.14 0.00 0.00 176.83 176.50 1dt7 h MET 79 N 0.82 0.60 -0.82 3.45 3.00 -1.54 -3.10 114.93 117.33 1dt7 h MET 79 Ca 0.12 -0.41 0.01 0.00 0.00 0.00 0.00 59.70 59.42 1dt7 h MET 79 Cb 0.71 0.06 -0.04 0.00 0.00 0.00 0.00 31.60 32.33 1dt7 h MET 79 CO 0.05 1.03 0.54 0.28 0.00 0.00 0.00 176.91 178.82 1dt7 h VAL 80 N 0.26 1.21 -0.83 -0.10 2.07 -1.47 -0.81 116.25 116.58 1dt7 h VAL 80 Ca -0.01 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1dt7 h VAL 80 Cb 1.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1dt7 h VAL 80 CO 0.09 0.20 0.54 0.74 0.02 0.00 0.00 177.57 179.17 1dt7 h THR 81 N 1.11 1.03 -0.97 2.57 2.02 -1.39 0.83 112.91 118.12 1dt7 h THR 81 Ca 0.30 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1dt7 h THR 81 Cb -0.13 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 66.26 1dt7 h THR 81 CO -0.07 0.16 0.60 0.74 0.37 0.00 0.00 175.52 177.33 1dt7 h THR 82 N 0.89 0.91 -0.75 3.16 2.02 -1.07 0.36 112.91 118.42 1dt7 h THR 82 Ca 0.36 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1dt7 h THR 82 Cb 0.25 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.50 1dt7 h THR 82 CO -0.13 0.17 0.38 0.00 0.37 0.00 0.00 175.52 176.31 1dt7 h ALA 83 N 1.53 1.25 -0.61 6.16 0.00 -0.81 -1.27 119.26 125.52 1dt7 h ALA 83 Ca 0.48 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1dt7 h ALA 83 Cb 0.49 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1dt7 h ALA 83 CO -0.27 0.59 0.40 0.00 0.00 0.00 0.00 179.25 179.97 1dt7 h HIS 85 N 0.54 1.22 -0.93 0.00 6.17 -0.66 0.41 115.15 121.89 1dt7 h HIS 85 Ca 0.27 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.38 1dt7 h HIS 85 Cb 0.36 -0.41 -0.05 0.00 2.52 0.00 0.00 27.41 29.83 1dt7 h HIS 85 CO -0.00 0.77 0.61 1.49 0.71 0.00 0.00 177.93 181.51 1dt7 h GLU 86 N 1.31 1.23 -0.19 5.26 4.81 -1.00 -1.90 114.58 124.10 1dt7 h GLU 86 Ca 0.35 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.33 1dt7 h GLU 86 Cb -0.15 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 28.95 1dt7 h GLU 86 CO -0.08 0.81 -0.62 0.74 -0.73 0.00 0.00 179.01 179.13 1dt7 h PHE 87 N 1.26 0.84 -0.92 0.92 0.04 -1.02 -3.26 116.94 114.80 1dt7 h PHE 87 Ca 0.34 -0.32 -0.73 0.00 2.80 0.00 0.00 57.97 60.06 1dt7 h PHE 87 Cb -0.14 -0.15 -0.09 0.00 2.20 0.00 0.00 35.95 37.77 1dt7 h PHE 87 CO -0.01 1.10 2.69 0.34 -0.60 0.00 0.00 178.31 181.84 1dt7 n PHE 88 N -3.94 2.60 -1.91 -0.55 -0.00 0.13 -4.93 117.46 108.86 1dt7 n PHE 88 Ca -0.04 -2.88 -0.41 0.00 -0.00 0.00 0.00 57.45 54.12 1dt7 n PHE 88 Cb 0.66 -1.98 -0.03 0.00 -0.00 0.00 0.00 39.48 38.12 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1dt7 s GLU 89 N -0.33 2.94 0.25 -4.13 -1.05 -1.20 -4.80 118.70 110.39 1dt7 s GLU 89 Ca 0.56 1.26 -0.06 0.00 -0.15 0.00 0.00 54.97 56.58 1dt7 s GLU 89 Cb 0.18 -4.32 0.26 0.00 -0.44 0.00 0.00 34.13 29.81 1dt7 s GLU 89 CO -0.08 -2.33 1.93 0.45 0.95 0.00 0.00 175.26 176.18 1dt7 h HIS 90 N 14.62 1.26 0.00 4.83 3.86 -1.92 -3.53 115.15 134.28 1dt7 h HIS 90 Ca -0.31 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1dt7 h HIS 90 Cb 1.19 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1dt7 h HIS 90 CO 0.98 0.80 0.00 0.39 0.86 0.00 0.00 177.93 180.96