#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 3.48 0.47 3.17 -1.52 -1.26 -5.00 119.66 119.00 1or7 s GLN 2 Ca 0.00 -0.32 0.12 0.00 -1.95 0.00 0.00 55.36 53.21 1or7 s GLN 2 Cb 0.00 -3.03 1.08 0.00 -0.22 0.00 0.00 33.01 30.84 1or7 s GLN 2 CO 0.00 0.61 2.09 0.87 -0.25 0.00 0.00 175.29 178.61 1or7 h LYS 3 N 3.28 0.26 -0.17 2.91 1.57 -2.02 0.09 116.57 122.50 1or7 h LYS 3 Ca -0.46 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1or7 h LYS 3 Cb 1.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1or7 h LYS 3 CO 0.73 0.17 -0.09 1.49 -0.57 0.00 0.00 179.45 181.18 1or7 h GLU 4 N 0.27 0.26 -0.30 3.15 4.81 -1.99 -0.35 114.58 120.44 1or7 h GLU 4 Ca 0.09 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 1or7 h GLU 4 Cb 0.04 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1or7 h GLU 4 CO -0.02 0.37 -0.52 1.96 -0.73 0.00 0.00 179.01 180.07 1or7 h GLN 5 N 0.25 0.85 -0.68 1.92 4.20 -1.39 -2.04 115.11 118.22 1or7 h GLN 5 Ca 0.05 -0.52 0.05 0.00 0.06 0.00 0.00 58.65 58.30 1or7 h GLN 5 Cb 0.32 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1or7 h GLN 5 CO 0.02 1.15 0.39 1.25 -0.67 0.00 0.00 178.83 180.97 1or7 h LEU 6 N 0.66 0.58 -0.34 1.46 6.46 -0.94 -1.11 115.31 122.09 1or7 h LEU 6 Ca 0.02 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1or7 h LEU 6 Cb 1.11 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 1or7 h LEU 6 CO 0.11 0.38 0.12 -1.28 -0.62 0.00 0.00 178.44 177.16 1or7 h SER 7 N 0.72 0.14 -0.77 1.25 0.87 -0.86 -1.98 113.55 112.91 1or7 h SER 7 Ca 0.30 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.92 1or7 h SER 7 Cb 0.16 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1or7 h SER 7 CO -0.17 0.11 0.49 0.00 -0.53 0.00 0.00 176.83 176.73 1or7 h ALA 8 N 1.21 1.00 -0.82 6.23 0.00 -1.07 -2.99 119.26 122.83 1or7 h ALA 8 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1or7 h ALA 8 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1or7 h ALA 8 CO -0.15 0.31 0.42 1.25 0.00 0.00 0.00 179.25 181.08 1or7 h LEU 9 N 0.96 1.04 -0.78 0.00 5.85 -0.55 -1.54 115.31 120.29 1or7 h LEU 9 Ca 0.30 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1or7 h LEU 9 Cb -0.01 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1or7 h LEU 9 CO -0.10 0.86 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 1or7 h MET 10 N 1.16 0.00 -0.14 1.25 -0.00 -1.25 -1.35 114.93 114.60 1or7 h MET 10 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.99 1or7 h MET 10 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1or7 h MET 10 CO -0.04 0.00 0.00 -0.25 -0.00 0.00 0.00 176.91 176.62 1or7 n ASP 11 N -2.70 2.10 -0.53 -0.10 8.00 -0.66 -4.94 116.55 117.72 1or7 n ASP 11 Ca 0.02 -1.74 -0.07 0.00 0.71 0.00 0.00 54.79 53.72 1or7 n ASP 11 Cb 0.33 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.24 0.88 0.02 0.44 0.00 -0.51 -4.90 105.19 102.36 1or7 n GLY 12 Ca 0.17 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.28 0.08 -3.92 1.61 -0.58 -0.71 -4.76 120.64 110.08 1or7 n GLU 13 Ca -0.07 0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.59 1or7 n GLU 13 Cb 0.29 -1.55 -0.12 0.00 -0.57 0.00 0.00 31.44 29.50 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 0.07 -0.07 2.62 -1.32 -1.25 -4.97 115.64 107.68 1or7 s THR 14 Ca 0.10 -0.58 0.10 0.00 -1.21 0.00 0.00 61.69 60.10 1or7 s THR 14 Cb 0.17 -0.24 0.15 0.00 -1.51 0.00 0.00 72.50 71.07 1or7 s THR 14 CO 0.69 -0.32 1.05 0.18 -2.21 0.00 0.00 174.62 174.01 1or7 n LEU 15 N 2.03 1.95 -4.68 9.08 4.77 -1.26 -4.56 117.00 124.32 1or7 n LEU 15 Ca -0.20 -2.41 -0.59 0.00 -0.03 0.00 0.00 56.01 52.79 1or7 n LEU 15 Cb 0.57 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1or7 n LEU 15 CO 0.22 0.57 1.36 -0.67 -1.33 0.00 0.00 177.39 177.54 1or7 n ASP 16 N -0.93 2.14 0.20 -1.43 -0.08 -1.26 -4.83 116.55 110.35 1or7 n ASP 16 Ca 0.08 1.02 0.04 0.00 -1.51 0.00 0.00 54.79 54.43 1or7 n ASP 16 Cb 0.50 -1.10 0.44 0.00 2.34 0.00 0.00 41.12 43.30 1or7 n ASP 16 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1or7 h SER 17 N 7.40 0.02 -0.23 1.67 4.64 -1.99 -0.90 113.55 124.16 1or7 h SER 17 Ca -0.43 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 1or7 h SER 17 Cb 1.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1or7 h SER 17 CO 0.98 0.26 -0.58 -0.33 -0.87 0.00 0.00 176.83 176.29 1or7 h GLU 18 N 0.02 0.83 -0.17 4.77 4.39 -1.99 -1.64 114.58 120.79 1or7 h GLU 18 Ca 0.00 -0.54 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 1or7 h GLU 18 Cb 0.44 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1or7 h GLU 18 CO 0.03 1.17 0.07 -0.07 -1.16 0.00 0.00 179.01 179.06 1or7 h LEU 19 N 0.63 0.23 -0.87 1.33 4.07 -1.79 -1.30 115.31 117.60 1or7 h LEU 19 Ca 0.00 -0.15 0.06 0.00 0.08 0.00 0.00 57.88 57.88 1or7 h LEU 19 Cb 1.18 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.80 1or7 h LEU 19 CO 0.13 0.31 0.54 -0.07 -1.08 0.00 0.00 178.44 178.27 1or7 h LEU 20 N 0.13 0.85 -0.20 1.67 -0.00 -1.11 0.19 115.31 116.83 1or7 h LEU 20 Ca 0.06 0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1or7 h LEU 20 Cb 0.15 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1or7 h LEU 20 CO -0.01 0.54 -0.01 -1.13 -0.00 0.00 0.00 178.44 177.83 1or7 h ASN 21 N 0.98 0.36 -0.55 -0.43 -0.73 -1.13 -2.01 115.58 112.07 1or7 h ASN 21 Ca 0.38 -0.33 0.02 0.00 1.87 0.00 0.00 56.30 58.24 1or7 h ASN 21 Cb 0.18 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1or7 h ASN 21 CO -0.18 0.60 0.35 -0.08 -0.37 0.00 0.00 177.43 177.76 1or7 h GLU 22 N 0.11 0.69 -0.59 6.67 4.57 -0.89 -1.59 114.58 123.56 1or7 h GLU 22 Ca 0.06 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1or7 h GLU 22 Cb 0.42 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.80 1or7 h GLU 22 CO 0.01 0.46 0.26 1.25 -1.18 0.00 0.00 179.01 179.81 1or7 h LEU 23 N 0.71 0.32 -1.09 1.64 5.85 -0.88 -0.82 115.31 121.04 1or7 h LEU 23 Ca 0.21 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1or7 h LEU 23 Cb -0.03 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1or7 h LEU 23 CO -0.07 0.21 -0.15 0.00 -0.34 0.00 0.00 178.44 178.09 1or7 h ALA 24 N 1.36 1.25 -0.52 1.25 0.00 -0.87 -3.23 119.26 118.50 1or7 h ALA 24 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1or7 h ALA 24 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1or7 h ALA 24 CO -0.24 0.49 0.00 0.72 0.00 0.00 0.00 179.25 180.22 1or7 n HIS 25 N -4.19 0.69 -3.82 0.00 8.25 -0.64 -4.84 115.22 110.66 1or7 n HIS 25 Ca 0.00 -0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 56.62 1or7 n HIS 25 Cb 0.33 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.02 5.00 0.47 0.41 3.04 -0.38 -5.00 114.94 117.47 1or7 s ASN 26 Ca 0.35 -1.02 0.14 0.00 0.04 0.00 0.00 52.86 52.37 1or7 s ASN 26 Cb 0.19 -1.80 1.10 0.00 -1.54 0.00 0.00 41.25 39.20 1or7 s ASN 26 CO 0.24 -0.24 2.08 -0.65 -3.04 0.00 0.00 177.10 175.49 1or7 h PRO 27 N 8.14 0.11 -0.20 0.43 0.11 -1.88 -0.71 132.00 138.00 1or7 h PRO 27 Ca -0.26 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.68 1or7 h PRO 27 Cb 1.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1or7 h PRO 27 CO 0.58 0.13 -0.51 1.49 -0.21 0.00 0.00 178.00 179.48 1or7 h GLU 28 N 0.11 0.57 -0.37 1.05 4.57 -1.94 -2.46 114.58 116.12 1or7 h GLU 28 Ca 0.03 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 1or7 h GLU 28 Cb 0.09 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1or7 h GLU 28 CO 0.00 0.95 -0.37 0.52 -1.18 0.00 0.00 179.01 178.93 1or7 h MET 29 N 0.45 0.87 -0.71 1.92 2.86 -1.54 -2.09 114.93 116.68 1or7 h MET 29 Ca 0.02 -0.44 0.07 0.00 -2.06 0.00 0.00 59.70 57.28 1or7 h MET 29 Cb 1.05 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.66 1or7 h MET 29 CO 0.10 1.09 0.39 1.96 1.06 0.00 0.00 176.91 181.51 1or7 h GLN 30 N 0.71 0.69 -0.21 1.72 1.08 -1.01 0.13 115.11 118.22 1or7 h GLN 30 Ca 0.06 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1or7 h GLN 30 Cb 0.94 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1or7 h GLN 30 CO 0.09 0.46 0.12 -0.22 -0.95 0.00 0.00 178.83 178.32 1or7 h LYS 31 N 0.71 0.30 -0.66 1.46 3.64 -1.23 -0.47 116.57 120.33 1or7 h LYS 31 Ca 0.32 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1or7 h LYS 31 Cb 0.22 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1or7 h LYS 31 CO -0.20 0.28 0.33 1.15 -2.27 0.00 0.00 179.45 178.74 1or7 h THR 32 N 0.23 1.22 -0.67 1.00 2.02 -1.09 -0.24 112.91 115.37 1or7 h THR 32 Ca 0.07 -0.60 0.07 0.00 0.77 0.00 0.00 66.41 66.73 1or7 h THR 32 Cb 0.07 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 1or7 h THR 32 CO -0.01 0.25 0.35 -0.25 0.37 0.00 0.00 175.52 176.23 1or7 h TRP 33 N 0.91 0.63 -0.40 3.16 2.91 -0.43 -0.34 115.95 122.38 1or7 h TRP 33 Ca 0.23 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.24 1or7 h TRP 33 Cb 0.09 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 1or7 h TRP 33 CO 0.00 0.27 0.11 1.49 -1.03 0.00 0.00 178.44 179.28 1or7 h GLU 34 N 0.63 0.64 -0.13 2.65 4.81 -0.40 -2.16 114.58 120.62 1or7 h GLU 34 Ca 0.31 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1or7 h GLU 34 Cb 0.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1or7 h GLU 34 CO -0.22 0.65 0.06 1.03 -0.73 0.00 0.00 179.01 179.80 1or7 h SER 35 N 0.51 0.17 -0.05 1.04 0.87 -0.51 -1.54 113.55 114.03 1or7 h SER 35 Ca 0.13 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1or7 h SER 35 Cb 0.29 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1or7 h SER 35 CO -0.00 0.25 -0.18 1.88 -0.53 0.00 0.00 176.83 178.25 1or7 h TYR 36 N 0.07 0.46 -0.02 2.24 0.05 -1.06 -1.36 116.97 117.35 1or7 h TYR 36 Ca 0.04 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 1or7 h TYR 36 Cb 0.13 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1or7 h TYR 36 CO -0.03 0.59 -0.65 0.45 -1.05 0.00 0.00 178.16 177.48 1or7 h HIS 37 N 0.39 0.10 -0.58 4.88 3.86 -1.19 -1.74 115.15 120.87 1or7 h HIS 37 Ca 0.07 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1or7 h HIS 37 Cb 0.55 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1or7 h HIS 37 CO 0.02 0.70 0.20 1.25 0.86 0.00 0.00 177.93 180.96 1or7 h LEU 38 N 0.06 0.83 -0.39 2.43 5.85 -0.71 -0.34 115.31 123.03 1or7 h LEU 38 Ca -0.01 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1or7 h LEU 38 Cb 1.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1or7 h LEU 38 CO 0.09 0.80 0.22 0.40 -0.34 0.00 0.00 178.44 179.60 1or7 h ILE 39 N 0.81 1.14 0.01 4.05 2.04 -1.06 -0.75 117.51 123.75 1or7 h ILE 39 Ca 0.19 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1or7 h ILE 39 Cb 0.25 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1or7 h ILE 39 CO -0.01 0.15 -0.12 -0.09 0.00 0.00 0.00 178.15 178.08 1or7 h ARG 40 N 0.50 -0.21 -0.83 2.37 2.43 -1.08 -0.35 114.38 117.21 1or7 h ARG 40 Ca 0.14 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1or7 h ARG 40 Cb 0.05 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1or7 h ARG 40 CO -0.02 -0.14 0.46 -0.44 -1.51 0.00 0.00 179.97 178.32 1or7 h ASP 41 N -0.22 1.04 -0.43 -3.80 3.32 -0.86 0.13 116.42 115.60 1or7 h ASP 41 Ca 0.04 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1or7 h ASP 41 Cb 0.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1or7 h ASP 41 CO -0.11 0.83 0.14 -1.28 -1.72 0.00 0.00 179.24 177.10 1or7 h SER 42 N 1.16 0.62 -0.63 6.45 0.87 -0.90 0.19 113.55 121.31 1or7 h SER 42 Ca 0.29 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1or7 h SER 42 Cb 0.02 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1or7 h SER 42 CO -0.05 0.65 0.12 0.24 -0.53 0.00 0.00 176.83 177.27 1or7 h MET 43 N 0.55 1.05 -0.00 2.24 2.86 -0.47 -2.61 114.93 118.55 1or7 h MET 43 Ca 0.14 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1or7 h MET 43 Cb 0.25 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1or7 h MET 43 CO -0.01 0.95 -0.17 0.54 1.06 0.00 0.00 176.91 179.28 1or7 n ARG 44 N -4.22 0.25 -1.12 1.72 1.74 -0.02 -4.92 116.66 110.09 1or7 n ARG 44 Ca 0.04 -0.08 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1or7 n ARG 44 Cb 0.27 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.42 0.68 2.36 -0.13 0.00 -0.10 -4.93 105.19 104.48 1or7 n GLY 45 Ca 0.09 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 0.57 7.50 -4.09 1.61 8.00 -0.28 -4.87 116.55 124.99 1or7 n ASP 46 Ca -0.04 -2.89 -0.12 0.00 0.71 0.00 0.00 54.79 52.45 1or7 n ASP 46 Cb 0.18 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 39.77 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 -0.10 0.54 0.81 -3.53 -4.23 -1.26 -4.81 115.64 103.06 1or7 s THR 47 Ca 0.62 -1.36 -0.14 0.00 -1.18 0.00 0.00 61.69 59.63 1or7 s THR 47 Cb 0.24 -0.95 0.19 0.00 1.34 0.00 0.00 72.50 73.33 1or7 s THR 47 CO -0.10 -0.57 0.98 -0.81 -0.54 0.00 0.00 174.62 173.58 1or7 n PRO 48 N 0.96 -1.46 -0.10 3.99 -0.04 -1.26 -4.96 135.00 132.12 1or7 n PRO 48 Ca -0.19 -1.52 -0.11 0.00 -0.04 0.00 0.00 63.50 61.64 1or7 n PRO 48 Cb 0.57 -1.11 0.03 0.00 -0.04 0.00 0.00 33.50 32.94 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 0.85 -5.07 0.54 4.81 -2.01 -3.41 114.58 110.29 1or7 h GLU 49 Ca -0.33 -0.41 -0.66 0.00 -0.13 0.00 0.00 59.36 57.83 1or7 h GLU 49 Cb 0.93 -0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.00 1or7 h GLU 49 CO 0.23 1.05 -0.78 0.08 -0.73 0.00 0.00 179.01 178.86 1or7 s VAL 50 N -4.45 2.84 -0.03 0.32 1.01 -1.26 -5.11 120.40 113.72 1or7 s VAL 50 Ca -0.10 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1or7 s VAL 50 Cb 0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1or7 s VAL 50 CO 0.86 0.48 0.71 -0.76 0.00 0.00 0.00 175.10 176.39 1or7 s LEU 51 N 1.24 4.36 -0.17 3.92 1.43 -1.26 -5.06 118.68 123.14 1or7 s LEU 51 Ca 0.03 1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1or7 s LEU 51 Cb -0.14 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 1or7 s LEU 51 CO -0.05 -0.07 -0.05 -1.00 0.23 0.00 0.00 176.35 175.41 1or7 s HIS 52 N 0.51 2.98 -2.74 0.29 3.76 -1.26 -5.02 115.29 113.82 1or7 s HIS 52 Ca 0.37 -0.51 0.24 0.00 -0.15 0.00 0.00 55.06 55.02 1or7 s HIS 52 Cb -0.18 -1.99 0.41 0.00 1.11 0.00 0.00 32.58 31.92 1or7 s HIS 52 CO 0.19 -0.20 1.38 1.19 -0.85 0.00 0.00 174.74 176.45 1or7 n PHE 53 N 3.92 0.16 -0.41 1.40 3.01 -1.26 -4.29 117.46 120.00 1or7 n PHE 53 Ca -0.18 -0.08 0.07 0.00 1.01 0.00 0.00 57.45 58.27 1or7 n PHE 53 Cb 0.52 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 1.17 3.38 0.14 4.37 5.75 -1.26 -4.64 116.55 125.47 1or7 n ASP 54 Ca 0.16 -2.26 -0.13 0.00 -0.01 0.00 0.00 54.79 52.55 1or7 n ASP 54 Cb 0.55 -0.35 -0.07 0.00 -1.03 0.00 0.00 41.12 40.22 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 2.34 0.72 -0.67 2.12 2.04 -2.01 -1.91 117.51 120.13 1or7 h ILE 55 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1or7 h ILE 55 Cb 0.97 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1or7 h ILE 55 CO 0.07 0.00 0.28 0.77 0.00 0.00 0.00 178.15 179.27 1or7 h SER 56 N -0.32 0.90 -0.48 1.72 4.64 -1.92 -1.69 113.55 116.39 1or7 h SER 56 Ca -0.01 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1or7 h SER 56 Cb 0.28 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1or7 h SER 56 CO 0.00 0.79 0.12 0.28 -0.87 0.00 0.00 176.83 177.16 1or7 h SER 57 N 0.97 0.73 -0.37 4.97 0.02 -1.82 -1.42 113.55 116.63 1or7 h SER 57 Ca 0.23 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1or7 h SER 57 Cb 0.17 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1or7 h SER 57 CO -0.02 0.77 -0.01 0.03 -1.14 0.00 0.00 176.83 176.46 1or7 h ARG 58 N 0.66 0.75 -0.03 3.45 3.08 -0.99 -1.73 114.38 119.58 1or7 h ARG 58 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1or7 h ARG 58 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1or7 h ARG 58 CO 0.00 0.77 -0.00 0.28 -1.07 0.00 0.00 179.97 179.95 1or7 h VAL 59 N 0.70 1.27 -0.69 2.04 2.07 -0.93 -2.37 116.25 118.36 1or7 h VAL 59 Ca 0.14 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1or7 h VAL 59 Cb 0.44 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1or7 h VAL 59 CO 0.02 0.22 0.30 0.24 0.02 0.00 0.00 177.57 178.37 1or7 h MET 60 N -0.28 1.01 -0.95 1.57 2.86 -1.21 -0.44 114.93 117.49 1or7 h MET 60 Ca 0.01 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.57 1or7 h MET 60 Cb 0.36 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 1or7 h MET 60 CO 0.00 0.83 0.61 0.00 1.06 0.00 0.00 176.91 179.41 1or7 h ALA 61 N 1.14 1.53 -0.20 6.32 0.00 -1.28 0.89 119.26 127.66 1or7 h ALA 61 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1or7 h ALA 61 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1or7 h ALA 61 CO -0.02 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 1or7 h ALA 62 N 1.52 0.29 -0.41 0.00 0.00 -0.85 -3.24 119.26 116.58 1or7 h ALA 62 Ca 0.43 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1or7 h ALA 62 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1or7 h ALA 62 CO -0.19 0.16 0.16 0.82 0.00 0.00 0.00 179.25 180.21 1or7 h ILE 63 N 0.14 1.20 0.00 0.00 2.04 0.17 -3.52 117.51 117.54 1or7 h ILE 63 Ca 0.04 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1or7 h ILE 63 Cb 0.64 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1or7 h ILE 63 CO 0.04 0.22 0.00 -0.62 0.00 0.00 0.00 178.15 177.79