#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1or7 s GLN 2 N 0.00 3.60 0.44 2.12 -1.52 -1.26 -4.99 119.66 118.06 1or7 s GLN 2 Ca 0.00 -0.12 0.13 0.00 -1.95 0.00 0.00 55.36 53.42 1or7 s GLN 2 Cb 0.00 -2.78 1.03 0.00 -0.22 0.00 0.00 33.01 31.04 1or7 s GLN 2 CO 0.00 0.37 2.02 0.87 -0.25 0.00 0.00 175.29 178.30 1or7 h LYS 3 N 2.25 0.37 -0.59 2.91 1.57 -2.02 -1.09 116.57 119.98 1or7 h LYS 3 Ca -0.47 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1or7 h LYS 3 Cb 1.18 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1or7 h LYS 3 CO 0.69 0.25 0.34 1.49 -0.57 0.00 0.00 179.45 181.65 1or7 h GLU 4 N 0.38 0.81 -0.45 3.15 4.81 -1.99 0.22 114.58 121.52 1or7 h GLU 4 Ca 0.21 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1or7 h GLU 4 Cb 0.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1or7 h GLU 4 CO -0.05 0.58 -0.23 1.96 -0.73 0.00 0.00 179.01 180.54 1or7 h GLN 5 N 0.82 0.95 -0.57 1.92 4.20 -1.62 -0.92 115.11 119.88 1or7 h GLN 5 Ca 0.21 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1or7 h GLN 5 Cb -0.00 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1or7 h GLN 5 CO -0.04 1.08 0.36 1.25 -0.67 0.00 0.00 178.83 180.82 1or7 h LEU 6 N 0.78 0.61 -0.39 1.46 5.85 -0.61 0.20 115.31 123.21 1or7 h LEU 6 Ca 0.10 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1or7 h LEU 6 Cb 0.81 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1or7 h LEU 6 CO 0.07 0.43 0.14 -1.28 -0.34 0.00 0.00 178.44 177.46 1or7 h SER 7 N 0.73 0.16 -0.65 1.25 0.87 -0.32 -1.58 113.55 114.01 1or7 h SER 7 Ca 0.22 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1or7 h SER 7 Cb -0.03 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1or7 h SER 7 CO -0.07 0.13 0.28 0.00 -0.53 0.00 0.00 176.83 176.63 1or7 h ALA 8 N 1.25 0.84 -0.41 6.23 0.00 -0.71 -3.13 119.26 123.32 1or7 h ALA 8 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1or7 h ALA 8 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1or7 h ALA 8 CO -0.18 0.44 0.22 1.25 0.00 0.00 0.00 179.25 180.98 1or7 h LEU 9 N 0.91 0.33 -0.63 0.00 5.85 -0.52 -1.16 115.31 120.08 1or7 h LEU 9 Ca 0.22 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1or7 h LEU 9 Cb 0.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1or7 h LEU 9 CO -0.02 0.24 0.00 1.15 -0.34 0.00 0.00 178.44 179.46 1or7 n MET 10 N -4.90 0.13 -0.07 1.25 0.00 -0.63 -1.17 117.12 111.72 1or7 n MET 10 Ca 0.02 0.43 0.12 0.00 0.00 0.00 0.00 57.70 58.27 1or7 n MET 10 Cb 0.09 -1.78 0.19 0.00 0.00 0.00 0.00 33.22 31.72 1or7 n MET 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1or7 n ASP 11 N -2.02 2.94 -0.18 3.17 8.00 -0.67 -4.93 116.55 122.85 1or7 n ASP 11 Ca 0.02 -1.94 -0.02 0.00 0.71 0.00 0.00 54.79 53.56 1or7 n ASP 11 Cb 0.16 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 1or7 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1or7 n GLY 12 N 1.37 0.56 0.01 0.44 0.00 -0.32 -4.88 105.19 102.37 1or7 n GLY 12 Ca 0.16 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1or7 n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1or7 n GLU 13 N -2.41 0.07 -3.90 1.61 -0.58 -0.53 -4.73 120.64 110.17 1or7 n GLU 13 Ca -0.02 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 1or7 n GLU 13 Cb 0.14 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.35 1or7 n GLU 13 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1or7 s THR 14 N -3.04 0.04 -0.13 2.62 -1.32 -1.24 -4.94 115.64 107.62 1or7 s THR 14 Ca 0.09 -0.32 0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1or7 s THR 14 Cb 0.17 -0.13 0.35 0.00 -1.51 0.00 0.00 72.50 71.38 1or7 s THR 14 CO 0.72 -0.18 1.17 0.18 -2.21 0.00 0.00 174.62 174.31 1or7 n LEU 15 N 2.52 2.07 -4.67 9.08 4.77 -1.26 -4.46 117.00 125.05 1or7 n LEU 15 Ca -0.16 -3.11 -0.42 0.00 -0.03 0.00 0.00 56.01 52.29 1or7 n LEU 15 Cb 0.58 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1or7 n LEU 15 CO 0.23 0.98 1.49 -0.62 -1.33 0.00 0.00 177.39 178.14 1or7 s ASP 16 N -2.73 6.50 0.47 -1.43 2.15 -1.26 -4.89 116.67 115.49 1or7 s ASP 16 Ca 0.33 2.59 0.17 0.00 0.43 0.00 0.00 52.55 56.07 1or7 s ASP 16 Cb 0.32 -2.55 1.13 0.00 -0.30 0.00 0.00 42.92 41.52 1or7 s ASP 16 CO -0.06 -0.99 2.03 0.77 -0.17 0.00 0.00 175.17 176.75 1or7 h SER 17 N 9.54 0.00 -0.06 -0.34 4.64 -1.99 -0.77 113.55 124.58 1or7 h SER 17 Ca -0.46 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 1or7 h SER 17 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1or7 h SER 17 CO 0.94 0.15 -0.37 -0.33 -0.87 0.00 0.00 176.83 176.35 1or7 h GLU 18 N 0.00 0.56 -0.21 4.77 4.39 -1.99 -0.35 114.58 121.75 1or7 h GLU 18 Ca -0.00 -0.27 -0.16 0.00 0.34 0.00 0.00 59.36 59.27 1or7 h GLU 18 Cb 0.28 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1or7 h GLU 18 CO 0.02 0.85 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.17 1or7 h LEU 19 N 0.47 0.79 -0.57 1.33 -0.00 -1.60 -0.00 115.31 115.72 1or7 h LEU 19 Ca 0.05 -0.56 0.02 0.00 -0.00 0.00 0.00 57.88 57.39 1or7 h LEU 19 Cb 0.86 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1or7 h LEU 19 CO 0.07 1.20 0.36 -0.07 -0.00 0.00 0.00 178.44 180.00 1or7 h LEU 20 N 0.41 0.60 0.04 1.67 4.07 -0.98 -0.77 115.31 120.34 1or7 h LEU 20 Ca 0.00 -0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1or7 h LEU 20 Cb 1.08 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 1or7 h LEU 20 CO 0.10 0.42 -0.12 -1.13 -1.08 0.00 0.00 178.44 176.63 1or7 h ASN 21 N 0.72 -0.35 -0.68 -0.43 -1.24 -0.89 -1.12 115.58 111.58 1or7 h ASN 21 Ca 0.22 0.05 0.07 0.00 0.71 0.00 0.00 56.30 57.35 1or7 h ASN 21 Cb -0.02 0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 1or7 h ASN 21 CO -0.08 -0.18 0.37 -0.33 -1.29 0.00 0.00 177.43 175.92 1or7 h GLU 22 N -0.23 0.66 0.05 6.67 5.08 -0.60 -2.25 114.58 123.95 1or7 h GLU 22 Ca 0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1or7 h GLU 22 Cb 0.26 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1or7 h GLU 22 CO -0.10 0.43 -0.21 1.25 -1.00 0.00 0.00 179.01 179.38 1or7 h LEU 23 N 0.68 -0.62 -2.53 1.33 5.85 -0.74 -0.93 115.31 118.36 1or7 h LEU 23 Ca 0.31 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1or7 h LEU 23 Cb 0.22 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1or7 h LEU 23 CO -0.20 -0.29 0.15 0.00 -0.34 0.00 0.00 178.44 177.77 1or7 h ALA 24 N 0.47 1.18 -0.07 1.25 0.00 -0.65 -2.54 119.26 118.90 1or7 h ALA 24 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1or7 h ALA 24 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1or7 h ALA 24 CO -0.16 -0.16 0.00 0.72 0.00 0.00 0.00 179.25 179.65 1or7 n HIS 25 N -3.02 0.12 -3.99 0.00 8.25 -0.73 -4.95 115.22 110.89 1or7 n HIS 25 Ca -0.02 -0.60 -0.31 0.00 -0.26 0.00 0.00 57.72 56.53 1or7 n HIS 25 Cb 0.22 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 31.10 1or7 n HIS 25 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1or7 s ASN 26 N -1.35 4.22 0.29 0.41 3.84 -0.43 -5.00 114.94 116.92 1or7 s ASN 26 Ca 0.11 -1.41 0.02 0.00 0.21 0.00 0.00 52.86 51.79 1or7 s ASN 26 Cb 0.08 -1.37 0.58 0.00 -0.55 0.00 0.00 41.25 39.98 1or7 s ASN 26 CO 0.04 -0.24 1.85 -0.65 -2.79 0.00 0.00 177.10 175.30 1or7 h PRO 27 N 7.84 0.95 -0.35 0.43 0.11 -1.90 0.19 132.00 139.27 1or7 h PRO 27 Ca -0.16 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.74 1or7 h PRO 27 Cb 1.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1or7 h PRO 27 CO 0.45 0.63 -0.37 1.49 -0.21 0.00 0.00 178.00 179.99 1or7 h GLU 28 N 0.97 0.82 -0.17 1.05 4.81 -1.95 -1.72 114.58 118.39 1or7 h GLU 28 Ca 0.48 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1or7 h GLU 28 Cb 0.48 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1or7 h GLU 28 CO -0.25 1.05 -0.31 0.52 -0.73 0.00 0.00 179.01 179.29 1or7 h MET 29 N 0.67 0.34 -0.78 1.92 2.86 -1.74 -2.26 114.93 115.95 1or7 h MET 29 Ca 0.06 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1or7 h MET 29 Cb 0.93 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1or7 h MET 29 CO 0.09 0.63 0.31 1.96 1.06 0.00 0.00 176.91 180.96 1or7 h GLN 30 N 0.30 1.15 -0.68 1.72 4.20 -0.26 0.64 115.11 122.18 1or7 h GLN 30 Ca 0.04 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1or7 h GLN 30 Cb 0.71 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1or7 h GLN 30 CO 0.05 0.93 0.14 0.87 -0.67 0.00 0.00 178.83 180.15 1or7 h LYS 31 N 1.13 1.10 -0.33 1.46 1.57 -1.01 -1.12 116.57 119.37 1or7 h LYS 31 Ca 0.26 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1or7 h LYS 31 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1or7 h LYS 31 CO -0.02 1.00 -0.04 1.15 -0.57 0.00 0.00 179.45 180.97 1or7 h THR 32 N 1.03 1.27 -0.53 -0.16 2.02 -0.89 0.18 112.91 115.83 1or7 h THR 32 Ca 0.21 -1.05 0.09 0.00 0.77 0.00 0.00 66.41 66.43 1or7 h THR 32 Cb 0.41 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 1or7 h THR 32 CO 0.01 0.34 0.13 -0.25 0.37 0.00 0.00 175.52 176.12 1or7 h TRP 33 N 0.40 0.21 -0.03 3.16 2.91 -0.68 0.15 115.95 122.07 1or7 h TRP 33 Ca 0.09 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.14 1or7 h TRP 33 Cb 0.51 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1or7 h TRP 33 CO 0.04 0.01 0.01 1.49 -1.03 0.00 0.00 178.44 178.97 1or7 h GLU 34 N 0.27 0.04 -0.35 2.65 4.81 -0.89 -2.28 114.58 118.83 1or7 h GLU 34 Ca 0.27 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1or7 h GLU 34 Cb 0.36 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1or7 h GLU 34 CO -0.33 0.17 0.20 0.77 -0.73 0.00 0.00 179.01 179.09 1or7 h SER 35 N -0.11 0.43 -0.36 1.04 0.02 -0.15 -1.07 113.55 113.35 1or7 h SER 35 Ca 0.01 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1or7 h SER 35 Cb 0.15 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1or7 h SER 35 CO -0.00 0.37 -0.01 1.88 -1.14 0.00 0.00 176.83 177.93 1or7 h TYR 36 N 0.44 0.78 -0.14 3.45 0.05 -0.75 -1.41 116.97 119.39 1or7 h TYR 36 Ca 0.12 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1or7 h TYR 36 Cb 0.04 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1or7 h TYR 36 CO -0.03 0.73 -0.47 0.45 -1.05 0.00 0.00 178.16 177.79 1or7 h HIS 37 N 0.69 0.43 -0.38 4.88 3.86 -1.23 -1.21 115.15 122.19 1or7 h HIS 37 Ca 0.14 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1or7 h HIS 37 Cb 0.44 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1or7 h HIS 37 CO 0.02 0.76 0.17 1.25 0.86 0.00 0.00 177.93 181.00 1or7 h LEU 38 N 0.29 0.50 -0.41 2.43 5.85 -0.52 0.27 115.31 123.72 1or7 h LEU 38 Ca 0.02 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1or7 h LEU 38 Cb 0.94 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1or7 h LEU 38 CO 0.08 0.50 0.20 0.40 -0.34 0.00 0.00 178.44 179.28 1or7 h ILE 39 N 0.47 0.97 -0.40 4.05 2.04 -1.15 0.21 117.51 123.70 1or7 h ILE 39 Ca 0.13 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1or7 h ILE 39 Cb 0.14 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1or7 h ILE 39 CO -0.01 0.07 0.16 -0.09 0.00 0.00 0.00 178.15 178.28 1or7 h ARG 40 N 0.41 0.32 -0.61 2.37 2.43 -0.78 -0.74 114.38 117.78 1or7 h ARG 40 Ca 0.17 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1or7 h ARG 40 Cb 0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1or7 h ARG 40 CO -0.12 0.21 0.24 -0.44 -1.51 0.00 0.00 179.97 178.35 1or7 h ASP 41 N 0.33 0.84 -0.06 -3.80 3.32 -0.31 -0.33 116.42 116.42 1or7 h ASP 41 Ca 0.18 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1or7 h ASP 41 Cb 0.14 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1or7 h ASP 41 CO -0.17 0.79 0.04 -1.28 -1.72 0.00 0.00 179.24 176.90 1or7 h SER 42 N 0.85 0.07 -0.62 6.45 0.87 -0.72 0.14 113.55 120.58 1or7 h SER 42 Ca 0.20 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1or7 h SER 42 Cb 0.22 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1or7 h SER 42 CO -0.02 0.06 0.21 0.24 -0.53 0.00 0.00 176.83 176.79 1or7 h MET 43 N 0.07 0.99 -0.00 2.24 2.86 -0.83 -2.40 114.93 117.86 1or7 h MET 43 Ca 0.02 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1or7 h MET 43 Cb 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1or7 h MET 43 CO -0.00 0.84 -0.07 0.54 1.06 0.00 0.00 176.91 179.28 1or7 n ARG 44 N -4.27 0.22 -1.78 1.72 1.74 -0.16 -4.89 116.66 109.23 1or7 n ARG 44 Ca 0.05 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1or7 n ARG 44 Cb 0.21 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1or7 n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1or7 n GLY 45 N 1.41 0.38 2.62 -0.13 0.00 -0.51 -4.95 105.19 104.01 1or7 n GLY 45 Ca 0.10 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1or7 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1or7 n ASP 46 N 0.85 7.47 -4.10 1.61 8.00 0.36 -4.94 116.55 125.80 1or7 n ASP 46 Ca -0.07 -3.49 -0.13 0.00 0.71 0.00 0.00 54.79 51.82 1or7 n ASP 46 Cb 0.43 -1.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.20 1or7 n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1or7 s THR 47 N -3.24 0.63 0.93 -3.53 -4.23 -1.26 -4.78 115.64 100.16 1or7 s THR 47 Ca 0.49 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.49 1or7 s THR 47 Cb 0.26 -0.96 0.22 0.00 1.34 0.00 0.00 72.50 73.36 1or7 s THR 47 CO -0.19 -0.52 1.24 -0.81 -0.54 0.00 0.00 174.62 173.80 1or7 n PRO 48 N 1.00 -1.31 -0.18 3.99 -0.04 -1.26 -4.96 135.00 132.23 1or7 n PRO 48 Ca -0.19 -1.92 -0.10 0.00 -0.04 0.00 0.00 63.50 61.25 1or7 n PRO 48 Cb 0.56 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 1or7 n PRO 48 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1or7 h GLU 49 N 0.00 0.97 -5.02 0.54 4.81 -2.01 -3.40 114.58 110.46 1or7 h GLU 49 Ca -0.40 -0.34 -0.66 0.00 -0.13 0.00 0.00 59.36 57.82 1or7 h GLU 49 Cb 1.12 -0.07 -0.31 0.00 0.63 0.00 0.00 28.75 30.11 1or7 h GLU 49 CO 0.28 1.01 -0.79 0.08 -0.73 0.00 0.00 179.01 178.86 1or7 s VAL 50 N -4.92 2.75 0.14 0.32 1.01 -1.26 -5.09 120.40 113.35 1or7 s VAL 50 Ca -0.12 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1or7 s VAL 50 Cb 0.12 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 1or7 s VAL 50 CO 0.85 0.47 0.97 -0.76 0.00 0.00 0.00 175.10 176.62 1or7 s LEU 51 N 1.39 4.53 -0.11 3.92 1.43 -1.26 -5.06 118.68 123.51 1or7 s LEU 51 Ca 0.05 1.85 -0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1or7 s LEU 51 Cb -0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1or7 s LEU 51 CO -0.08 -0.03 -0.11 -1.00 0.23 0.00 0.00 176.35 175.36 1or7 s HIS 52 N -0.26 2.84 -1.93 0.29 3.76 -1.26 -5.02 115.29 113.71 1or7 s HIS 52 Ca 0.46 -0.44 0.21 0.00 -0.15 0.00 0.00 55.06 55.14 1or7 s HIS 52 Cb -0.24 -1.81 0.53 0.00 1.11 0.00 0.00 32.58 32.16 1or7 s HIS 52 CO 0.31 -0.06 1.44 1.19 -0.85 0.00 0.00 174.74 176.77 1or7 n PHE 53 N 3.20 0.76 -0.34 1.40 3.01 -1.26 -4.24 117.46 119.98 1or7 n PHE 53 Ca -0.18 -0.42 0.07 0.00 1.01 0.00 0.00 57.45 57.93 1or7 n PHE 53 Cb 0.53 -0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.20 1or7 n PHE 53 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1or7 n ASP 54 N 1.42 3.33 0.27 4.37 5.75 -1.26 -4.74 116.55 125.69 1or7 n ASP 54 Ca 0.21 -2.16 -0.16 0.00 -0.01 0.00 0.00 54.79 52.66 1or7 n ASP 54 Cb 0.58 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.26 1or7 n ASP 54 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1or7 h ILE 55 N 2.46 0.54 -0.37 2.12 2.04 -2.01 -2.00 117.51 120.29 1or7 h ILE 55 Ca 0.00 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1or7 h ILE 55 Cb 0.91 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1or7 h ILE 55 CO 0.05 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.97 1or7 h SER 56 N -0.64 0.54 -0.40 1.72 4.64 -1.93 -0.76 113.55 116.71 1or7 h SER 56 Ca -0.06 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 1or7 h SER 56 Cb 0.49 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1or7 h SER 56 CO 0.11 0.60 -0.09 0.77 -0.87 0.00 0.00 176.83 177.35 1or7 h SER 57 N 0.55 0.78 -0.64 4.97 4.64 -1.86 -0.48 113.55 121.50 1or7 h SER 57 Ca 0.12 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1or7 h SER 57 Cb 0.34 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1or7 h SER 57 CO 0.01 0.96 0.33 0.03 -0.87 0.00 0.00 176.83 177.29 1or7 h ARG 58 N 0.59 0.91 0.40 4.77 3.08 -0.78 -1.14 114.38 122.22 1or7 h ARG 58 Ca 0.10 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1or7 h ARG 58 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1or7 h ARG 58 CO 0.04 0.71 -0.19 0.28 -1.07 0.00 0.00 179.97 179.74 1or7 h VAL 59 N 0.88 0.61 -0.65 2.04 2.07 -0.88 -2.55 116.25 117.77 1or7 h VAL 59 Ca 0.22 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1or7 h VAL 59 Cb 0.08 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1or7 h VAL 59 CO -0.03 0.02 0.43 0.24 0.02 0.00 0.00 177.57 178.25 1or7 h MET 60 N -0.59 0.85 -0.25 1.57 2.86 -1.01 0.24 114.93 118.60 1or7 h MET 60 Ca -0.05 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1or7 h MET 60 Cb 0.44 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1or7 h MET 60 CO 0.09 0.56 -0.00 0.00 1.06 0.00 0.00 176.91 178.62 1or7 h ALA 61 N 1.60 1.53 0.00 6.32 0.00 -1.10 -0.21 119.26 127.39 1or7 h ALA 61 Ca 0.24 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1or7 h ALA 61 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1or7 h ALA 61 CO -0.05 0.34 -0.66 0.00 0.00 0.00 0.00 179.25 178.88 1or7 h ALA 62 N 1.64 0.74 -0.24 0.00 0.00 -0.57 -3.18 119.26 117.64 1or7 h ALA 62 Ca 0.08 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1or7 h ALA 62 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1or7 h ALA 62 CO 0.01 0.82 -0.56 0.82 0.00 0.00 0.00 179.25 180.35 1or7 h ILE 63 N 0.00 1.29 -0.09 0.00 1.08 -0.38 -3.18 117.51 116.23 1or7 h ILE 63 Ca -0.01 -1.75 0.03 0.00 -0.39 0.00 0.00 64.86 62.74 1or7 h ILE 63 Cb 1.31 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1or7 h ILE 63 CO 0.09 0.56 0.09 -0.33 -0.69 0.00 0.00 178.15 177.87 1or7 h GLU 64 N 0.56 0.00 -0.05 2.37 3.07 -1.05 -0.96 114.58 118.52 1or7 h GLU 64 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1or7 h GLU 64 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1or7 h GLU 64 CO 0.12 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.12 1or7 n GLU 65 N -4.04 1.83 0.00 2.33 -0.58 -1.20 -5.12 120.64 113.85 1or7 n GLU 65 Ca -0.01 -1.21 0.00 0.00 -0.42 0.00 0.00 57.16 55.52 1or7 n GLU 65 Cb 0.19 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1or7 n GLU 65 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74