#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i11 n HIS 2 N 0.00 -0.89 -4.77 0.54 1.44 -1.26 -5.04 115.22 105.25 1i11 n HIS 2 Ca 0.00 -3.25 -0.33 0.00 -2.01 0.00 0.00 57.72 52.13 1i11 n HIS 2 Cb 0.00 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 29.97 1i11 n HIS 2 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1i11 s ILE 3 N -0.84 3.23 -1.30 0.61 -4.36 -1.26 -5.03 121.20 112.25 1i11 s ILE 3 Ca 0.34 -0.73 -0.12 0.00 -0.26 0.00 0.00 60.65 59.88 1i11 s ILE 3 Cb 0.18 -2.30 0.13 0.00 1.25 0.00 0.00 42.46 41.72 1i11 s ILE 3 CO -0.13 0.54 1.80 2.29 0.24 0.00 0.00 174.94 179.68 1i11 n LYS 4 N 2.13 3.37 -3.40 0.37 2.85 -1.26 -4.94 118.16 117.27 1i11 n LYS 4 Ca -0.17 -3.42 -0.42 0.00 -1.05 0.00 0.00 58.31 53.25 1i11 n LYS 4 Cb 0.52 -3.09 -0.09 0.00 -0.65 0.00 0.00 35.03 31.72 1i11 n LYS 4 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1i11 s ARG 5 N 1.66 3.33 -1.10 -1.58 1.70 -1.26 -4.99 118.95 116.71 1i11 s ARG 5 Ca 0.43 -0.63 -0.22 0.00 -0.47 0.00 0.00 55.73 54.85 1i11 s ARG 5 Cb 0.06 -3.88 0.01 0.00 -0.57 0.00 0.00 34.95 30.58 1i11 s ARG 5 CO -0.00 -0.64 1.71 -1.25 -1.08 0.00 0.00 175.30 174.04 1i11 s PRO 6 N 1.97 3.31 0.00 3.89 0.04 -1.26 -4.86 135.00 138.09 1i11 s PRO 6 Ca 0.10 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 59.94 1i11 s PRO 6 Cb -0.17 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1i11 s PRO 6 CO 0.12 -2.75 0.00 -1.33 0.04 0.00 0.00 177.00 173.07 1i11 n MET 7 N 8.65 1.96 -3.16 4.56 2.81 -1.26 -5.12 117.12 125.55 1i11 n MET 7 Ca 0.41 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1i11 n MET 7 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 1i11 n MET 7 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i11 n ASN 8 N 0.00 0.00 0.00 7.83 5.15 -1.26 -4.92 115.26 122.06 1i11 n ASN 8 Ca 0.00 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 54.17 1i11 n ASN 8 Cb 0.00 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 39.67 1i11 n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i11 h ALA 9 N 0.00 2.48 0.18 5.20 0.00 -1.87 -0.24 119.26 125.02 1i11 h ALA 9 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1i11 h ALA 9 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1i11 h ALA 9 CO 0.00 -1.29 -0.09 0.35 0.00 0.00 0.00 179.25 178.22 1i11 h PHE 10 N 0.00 -0.23 0.00 0.00 3.57 -1.91 2.63 116.94 121.00 1i11 h PHE 10 Ca 0.29 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1i11 h PHE 10 Cb 2.24 0.07 0.00 0.00 2.79 0.00 0.00 35.95 41.05 1i11 h PHE 10 CO 0.00 -0.14 0.02 0.00 -2.23 0.00 0.00 178.31 175.96 1i11 h MET 11 N -0.34 0.00 0.07 1.11 -0.00 -1.59 2.38 114.93 116.57 1i11 h MET 11 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.57 1i11 h MET 11 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.80 1i11 h MET 11 CO 0.04 0.00 -0.46 0.28 -0.00 0.00 0.00 176.91 176.77 1i11 h VAL 12 N 0.00 1.62 0.00 -0.10 2.07 -0.73 -2.36 116.25 116.75 1i11 h VAL 12 Ca 0.00 -2.44 -0.22 0.00 0.82 0.00 0.00 66.70 64.86 1i11 h VAL 12 Cb 0.05 3.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1i11 h VAL 12 CO 0.00 0.66 -1.11 -0.25 0.02 0.00 0.00 177.57 176.89 1i11 h TRP 13 N -0.68 0.01 0.00 1.57 7.01 0.64 -3.20 115.95 121.30 1i11 h TRP 13 Ca -0.09 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1i11 h TRP 13 Cb 1.33 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.39 1i11 h TRP 13 CO 0.23 1.01 -0.06 0.00 -2.79 0.00 0.00 178.44 176.83 1i11 h ALA 14 N 0.99 1.00 -0.15 2.65 0.00 0.39 -0.06 119.26 124.08 1i11 h ALA 14 Ca -0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1i11 h ALA 14 Cb 1.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1i11 h ALA 14 CO 0.12 0.07 -0.19 0.87 0.00 0.00 0.00 179.25 180.13 1i11 h LYS 15 N 0.00 0.25 0.08 0.00 1.79 -1.41 2.05 116.57 119.33 1i11 h LYS 15 Ca -0.00 -0.07 -0.35 0.00 -2.18 0.00 0.00 60.65 58.05 1i11 h LYS 15 Cb 0.64 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1i11 h LYS 15 CO 0.01 0.44 -1.99 -3.47 -1.08 0.00 0.00 179.45 173.36 1i11 n ASP 16 N -4.22 1.69 -0.14 0.86 -0.08 -1.05 -1.93 116.55 111.68 1i11 n ASP 16 Ca -0.01 0.22 -0.05 0.00 -1.51 0.00 0.00 54.79 53.44 1i11 n ASP 16 Cb 0.31 -0.53 0.13 0.00 2.34 0.00 0.00 41.12 43.38 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1i11 h GLU 17 N 0.04 0.88 0.05 -0.67 4.39 -0.68 1.95 114.58 120.55 1i11 h GLU 17 Ca -0.41 -0.23 -0.25 0.00 0.34 0.00 0.00 59.36 58.81 1i11 h GLU 17 Cb 2.03 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 30.58 1i11 h GLU 17 CO 0.07 0.85 -1.07 0.07 -1.16 0.00 0.00 179.01 177.76 1i11 h ARG 18 N 0.83 0.42 -0.48 2.33 -0.00 0.32 0.47 114.38 118.26 1i11 h ARG 18 Ca 0.16 -0.53 -0.11 0.00 -0.00 0.00 0.00 59.98 59.51 1i11 h ARG 18 Cb 0.43 0.17 -0.02 0.00 -0.00 0.00 0.00 29.97 30.55 1i11 h ARG 18 CO 0.02 1.19 -0.14 0.00 -0.00 0.00 0.00 179.97 181.03 1i11 h ARG 19 N 0.21 0.92 0.00 0.08 3.08 -0.87 1.92 114.38 119.72 1i11 h ARG 19 Ca -0.11 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 1i11 h ARG 19 Cb 1.74 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 1i11 h ARG 19 CO 0.19 1.00 -0.00 0.87 -1.07 0.00 0.00 179.97 180.95 1i11 h LYS 20 N 0.82 0.00 0.04 0.04 1.79 0.32 -2.59 116.57 116.99 1i11 h LYS 20 Ca 0.12 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.21 1i11 h LYS 20 Cb 0.68 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 1i11 h LYS 20 CO 0.05 0.00 -2.31 -0.89 -1.08 0.00 0.00 179.45 175.22 1i11 n ILE 21 N -3.09 1.59 0.13 1.86 -0.00 0.14 -4.08 119.36 115.91 1i11 n ILE 21 Ca 0.02 -0.61 0.16 0.00 -0.00 0.00 0.00 62.75 62.32 1i11 n ILE 21 Cb 0.37 -1.51 0.72 0.00 -0.00 0.00 0.00 39.64 39.23 1i11 n ILE 21 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1i11 h LEU 22 N 0.03 0.00 -1.10 1.39 5.85 0.30 0.84 115.31 122.62 1i11 h LEU 22 Ca -0.52 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1i11 h LEU 22 Cb 1.95 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.95 1i11 h LEU 22 CO -0.02 0.00 0.26 0.06 -0.34 0.00 0.00 178.44 178.39 1i11 h GLN 23 N 0.00 0.90 0.00 1.25 3.07 -1.61 1.12 115.11 119.83 1i11 h GLN 23 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1i11 h GLN 23 Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1i11 h GLN 23 CO -0.00 0.72 -0.56 0.00 0.09 0.00 0.00 178.83 179.09 1i11 h ALA 24 N 1.40 0.69 -1.50 0.06 0.00 0.18 -3.39 119.26 116.70 1i11 h ALA 24 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.67 1i11 h ALA 24 Cb 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.64 1i11 h ALA 24 CO -0.02 0.00 -0.89 1.19 0.00 0.00 0.00 179.25 179.53 1i11 n PHE 25 N -2.60 -1.46 0.61 0.00 3.72 0.22 -4.94 117.46 113.01 1i11 n PHE 25 Ca 0.02 -2.91 0.06 0.00 -0.05 0.00 0.00 57.45 54.58 1i11 n PHE 25 Cb 0.50 0.36 0.31 0.00 -0.94 0.00 0.00 39.48 39.72 1i11 n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1i11 n PRO 26 N 1.82 0.22 -0.05 -1.08 -0.04 0.37 -1.47 135.00 134.77 1i11 n PRO 26 Ca 0.19 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1i11 n PRO 26 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1i11 n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 27 N -1.21 1.02 -4.56 3.54 -0.08 -1.26 -4.80 116.55 109.20 1i11 n ASP 27 Ca 0.07 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.09 1i11 n ASP 27 Cb 0.08 1.28 -0.05 0.00 2.34 0.00 0.00 41.12 44.77 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1i11 s MET 28 N -2.74 1.97 0.43 -0.67 1.75 -0.55 -4.86 119.30 114.64 1i11 s MET 28 Ca -0.07 0.73 -0.25 0.00 -1.25 0.00 0.00 55.69 54.85 1i11 s MET 28 Cb 0.07 -4.71 -0.10 0.00 2.84 0.00 0.00 34.83 32.94 1i11 s MET 28 CO 0.69 -3.77 1.23 1.58 -0.65 0.00 0.00 175.02 174.10 1i11 n HIS 29 N 16.64 1.96 0.17 4.11 -0.00 -1.26 -4.46 115.22 132.38 1i11 n HIS 29 Ca 0.40 0.51 0.19 0.00 0.46 0.00 0.00 57.72 59.27 1i11 n HIS 29 Cb 0.49 -2.35 0.79 0.00 -0.12 0.00 0.00 29.99 28.80 1i11 n HIS 29 CO 0.00 0.00 0.00 -2.95 0.46 0.00 0.00 176.34 173.85 1i11 h ASN 30 N 1.93 0.00 0.03 0.26 7.08 -1.96 1.27 115.58 124.19 1i11 h ASN 30 Ca -0.47 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.75 1i11 h ASN 30 Cb 1.30 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.54 1i11 h ASN 30 CO 0.59 0.00 -0.00 0.77 -2.08 0.00 0.00 177.43 176.71 1i11 h SER 31 N 0.00 0.00 0.00 6.14 4.64 -1.98 -2.46 113.55 119.89 1i11 h SER 31 Ca 0.13 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1i11 h SER 31 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1i11 h SER 31 CO -0.00 0.00 -1.32 -3.20 -0.87 0.00 0.00 176.83 171.45 1i11 n ASN 32 N -3.43 3.63 0.15 4.97 2.85 0.40 -4.51 115.26 119.31 1i11 n ASN 32 Ca -0.03 -0.02 0.19 0.00 -0.11 0.00 0.00 54.58 54.60 1i11 n ASN 32 Cb 0.08 0.03 0.73 0.00 1.24 0.00 0.00 39.78 41.87 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1i11 h ILE 33 N 0.00 0.24 -0.75 -1.44 1.08 -0.29 0.44 117.51 116.80 1i11 h ILE 33 Ca -0.12 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1i11 h ILE 33 Cb 1.21 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 35.49 1i11 h ILE 33 CO -0.01 0.00 0.40 0.28 -0.69 0.00 0.00 178.15 178.12 1i11 h SER 34 N 0.00 0.55 0.64 1.72 0.02 -1.67 1.38 113.55 116.19 1i11 h SER 34 Ca 0.15 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1i11 h SER 34 Cb 1.10 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1i11 h SER 34 CO -0.00 0.32 -0.43 0.11 -1.14 0.00 0.00 176.83 175.68 1i11 h LYS 35 N 0.68 0.00 0.03 3.45 1.57 -0.40 0.32 116.57 122.22 1i11 h LYS 35 Ca 0.36 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1i11 h LYS 35 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1i11 h LYS 35 CO -0.25 0.43 -0.02 0.82 -0.57 0.00 0.00 179.45 179.87 1i11 h ILE 36 N 0.00 1.31 0.66 1.86 5.03 0.19 -1.52 117.51 125.04 1i11 h ILE 36 Ca -0.00 -1.11 -0.03 0.00 -0.12 0.00 0.00 64.86 63.59 1i11 h ILE 36 Cb 0.87 2.04 0.01 0.00 -3.03 0.00 0.00 36.82 36.71 1i11 h ILE 36 CO 0.06 0.28 -0.32 -0.07 -0.68 0.00 0.00 178.15 177.42 1i11 h LEU 37 N -0.53 -0.75 -0.76 1.44 3.38 0.18 0.62 115.31 118.88 1i11 h LEU 37 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i11 h LEU 37 Cb 0.49 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1i11 h LEU 37 CO 0.01 -0.51 0.15 0.61 0.09 0.00 0.00 178.44 178.80 1i11 n GLY 38 N -1.32 -0.62 0.01 0.83 0.00 0.11 0.25 105.19 104.45 1i11 n GLY 38 Ca -0.13 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1i11 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i11 n SER 39 N -1.90 0.62 -0.00 1.61 7.64 -0.37 -3.14 113.62 118.07 1i11 n SER 39 Ca -0.01 -0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.66 1i11 n SER 39 Cb 0.17 1.78 -0.14 0.00 -1.01 0.00 0.00 64.21 65.01 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1i11 h ARG 40 N 0.00 0.04 0.65 1.43 2.47 0.77 -2.99 114.38 116.75 1i11 h ARG 40 Ca 0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1i11 h ARG 40 Cb 0.83 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.18 1i11 h ARG 40 CO 0.00 0.66 -0.31 2.35 0.56 0.00 0.00 179.97 183.23 1i11 h TRP 41 N 0.01 -0.81 0.00 3.04 2.91 0.33 -2.39 115.95 119.04 1i11 h TRP 41 Ca -0.25 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.75 1i11 h TRP 41 Cb 1.98 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 30.90 1i11 h TRP 41 CO 0.01 -0.49 0.00 0.87 -1.03 0.00 0.00 178.44 177.80 1i11 h LYS 42 N -1.21 0.00 -0.01 2.65 1.57 -1.70 0.70 116.57 118.58 1i11 h LYS 42 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1i11 h LYS 42 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1i11 h LYS 42 CO 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1i11 n ALA 43 N -2.04 2.66 -1.10 3.86 0.00 -0.94 -4.74 120.51 118.21 1i11 n ALA 43 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1i11 n ALA 43 Cb 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1i11 n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i11 n MET 44 N -0.74 2.29 -0.03 0.00 2.81 0.24 -5.01 117.12 116.69 1i11 n MET 44 Ca 0.22 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1i11 n MET 44 Cb 0.16 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.67 1i11 n MET 44 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1i11 n THR 45 N 0.00 0.00 0.00 2.03 -2.24 -1.26 -5.02 114.28 107.79 1i11 n THR 45 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1i11 n THR 45 Cb 0.00 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1i11 n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i11 n ASN 46 N 0.00 0.00 0.29 3.42 2.85 -1.26 -4.22 115.26 116.34 1i11 n ASN 46 Ca 0.00 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.63 1i11 n ASN 46 Cb 0.50 0.00 0.92 0.00 1.24 0.00 0.00 39.78 42.45 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1i11 h LEU 47 N 0.00 0.00 -0.09 1.20 6.46 -2.03 0.35 115.31 121.21 1i11 h LEU 47 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1i11 h LEU 47 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1i11 h LEU 47 CO 0.00 0.00 -0.11 -0.62 -0.62 0.00 0.00 178.44 177.09 1i11 n GLU 48 N -3.81 0.37 -0.01 1.25 4.71 -1.26 -3.39 120.64 118.50 1i11 n GLU 48 Ca -0.03 -0.09 0.14 0.00 -0.01 0.00 0.00 57.16 57.17 1i11 n GLU 48 Cb 0.11 -1.50 0.68 0.00 -1.01 0.00 0.00 31.44 29.72 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1i11 n LYS 49 N -1.24 1.35 -0.18 3.49 5.02 0.12 -4.12 118.16 122.61 1i11 n LYS 49 Ca 0.11 -0.51 -0.07 0.00 -2.02 0.00 0.00 58.31 55.83 1i11 n LYS 49 Cb 0.29 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1i11 h GLN 50 N 1.19 0.69 -0.07 1.97 1.08 -1.66 0.39 115.11 118.69 1i11 h GLN 50 Ca 0.00 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 56.99 1i11 h GLN 50 Cb 0.25 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1i11 h GLN 50 CO 0.00 0.46 -0.62 -1.00 -0.95 0.00 0.00 178.83 176.72 1i11 h PRO 51 N 0.71 0.54 0.00 1.46 0.13 -1.87 -2.84 132.00 130.13 1i11 h PRO 51 Ca 0.19 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1i11 h PRO 51 Cb -0.08 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1i11 h PRO 51 CO -0.04 1.12 0.00 0.66 -0.23 0.00 0.00 178.00 179.51 1i11 n TYR 52 N -4.16 0.00 -0.07 1.56 4.01 -1.19 -2.77 117.16 114.55 1i11 n TYR 52 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 1i11 n TYR 52 Cb 0.67 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 1i11 n TYR 52 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1i11 h TYR 53 N 0.00 0.00 -0.68 -0.72 0.05 -0.67 -3.14 116.97 111.80 1i11 h TYR 53 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1i11 h TYR 53 Cb 0.14 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1i11 h TYR 53 CO 0.00 0.60 0.25 0.93 -1.05 0.00 0.00 178.16 178.89 1i11 h GLU 54 N -1.00 1.02 0.00 4.88 3.07 -1.54 -0.38 114.58 120.63 1i11 h GLU 54 Ca -0.04 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1i11 h GLU 54 Cb 0.63 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1i11 h GLU 54 CO -0.03 0.85 0.00 0.39 -1.40 0.00 0.00 179.01 178.82 1i11 n GLU 55 N -4.28 0.11 -0.04 2.33 1.02 -1.11 -1.56 120.64 117.09 1i11 n GLU 55 Ca 0.06 0.50 -0.01 0.00 -0.02 0.00 0.00 57.16 57.68 1i11 n GLU 55 Cb 0.19 -1.78 -0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1i11 n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1i11 h GLN 56 N 0.00 0.00 -0.59 3.49 5.75 -1.02 -3.08 115.11 119.66 1i11 h GLN 56 Ca 0.00 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.67 1i11 h GLN 56 Cb 0.14 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1i11 h GLN 56 CO 0.00 0.00 0.65 0.00 -2.65 0.00 0.00 178.83 176.83 1i11 h ALA 57 N -1.25 2.35 0.45 3.38 0.00 -1.28 -0.00 119.26 122.90 1i11 h ALA 57 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1i11 h ALA 57 Cb 0.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i11 h ALA 57 CO 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 179.25 178.09 1i11 h ARG 58 N 0.00 -0.58 0.00 0.00 3.08 -1.37 -2.96 114.38 112.56 1i11 h ARG 58 Ca 0.28 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1i11 h ARG 58 Cb 1.57 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1i11 h ARG 58 CO -0.00 -0.38 0.00 1.47 -1.07 0.00 0.00 179.97 179.98 1i11 n LEU 59 N -4.88 0.00 0.07 3.04 -0.00 -0.47 -1.75 117.00 113.01 1i11 n LEU 59 Ca -0.07 0.37 -0.21 0.00 -0.00 0.00 0.00 56.01 56.10 1i11 n LEU 59 Cb 0.24 -0.37 -0.14 0.00 -0.00 0.00 0.00 43.42 43.15 1i11 n LEU 59 CO 0.18 -0.30 0.01 -1.28 -0.00 0.00 0.00 177.39 176.01 1i11 h SER 60 N 0.00 0.67 -0.21 1.45 0.87 -0.89 -0.78 113.55 114.65 1i11 h SER 60 Ca 0.00 -0.87 -0.01 0.00 -1.23 0.00 0.00 61.79 59.68 1i11 h SER 60 Cb 0.08 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1i11 h SER 60 CO 0.00 1.47 0.08 0.50 -0.53 0.00 0.00 176.83 178.35 1i11 h LYS 61 N -0.04 0.32 0.00 2.24 3.64 -1.20 -1.57 116.57 119.97 1i11 h LYS 61 Ca -0.16 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1i11 h LYS 61 Cb 1.74 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1i11 h LYS 61 CO 0.19 0.40 -0.02 1.96 -2.27 0.00 0.00 179.45 179.70 1i11 h GLN 62 N 0.18 0.00 0.72 1.90 1.08 -1.60 -2.89 115.11 114.50 1i11 h GLN 62 Ca 0.07 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1i11 h GLN 62 Cb 0.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1i11 h GLN 62 CO -0.00 0.02 -0.45 1.25 -0.95 0.00 0.00 178.83 178.70 1i11 h HIS 63 N 0.00 -1.20 0.00 2.96 2.76 -0.08 0.11 115.15 119.69 1i11 h HIS 63 Ca -0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1i11 h HIS 63 Cb 0.46 0.43 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 1i11 h HIS 63 CO 0.00 -0.67 -0.09 -0.07 -1.30 0.00 0.00 177.93 175.80 1i11 h LEU 64 N -1.09 0.00 0.00 0.26 -0.00 -1.51 0.16 115.31 113.13 1i11 h LEU 64 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1i11 h LEU 64 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1i11 h LEU 64 CO 0.09 0.09 0.00 -0.62 -0.00 0.00 0.00 178.44 178.00 1i11 n GLU 65 N -3.45 0.19 -0.06 1.13 1.02 -0.74 -0.18 120.64 118.55 1i11 n GLU 65 Ca -0.01 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1i11 n GLU 65 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1i11 n GLU 65 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i11 h LYS 66 N 0.00 0.00 0.00 3.49 1.57 0.13 -3.39 116.57 118.37 1i11 h LYS 66 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1i11 h LYS 66 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1i11 h LYS 66 CO 0.00 0.09 -1.09 2.48 -0.57 0.00 0.00 179.45 180.36 1i11 n TYR 67 N -4.70 0.00 -0.02 -1.35 0.18 -1.23 -4.44 117.16 105.60 1i11 n TYR 67 Ca -0.04 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.65 1i11 n TYR 67 Cb 0.14 -0.06 -0.07 0.00 -0.38 0.00 0.00 39.34 38.97 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 1i11 h PRO 68 N 0.00 -0.08 -1.11 -3.48 0.13 -1.82 -3.27 132.00 122.38 1i11 h PRO 68 Ca -0.04 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.84 1i11 h PRO 68 Cb 1.07 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 1i11 h PRO 68 CO -0.00 0.42 0.33 -3.47 -0.23 0.00 0.00 178.00 175.05 1i11 n ASP 69 N -4.77 4.00 0.00 1.44 -0.08 0.75 -5.04 116.55 112.84 1i11 n ASP 69 Ca -0.06 -2.82 0.05 0.00 -1.51 0.00 0.00 54.79 50.45 1i11 n ASP 69 Cb 0.26 -0.74 0.29 0.00 2.34 0.00 0.00 41.12 43.27 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32