#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 -2.17 -3.99 0.54 -0.00 -1.26 -5.09 115.22 103.25 1i11 n HIS 2 Ca 0.00 -1.61 -0.10 0.00 0.46 0.00 0.00 57.72 56.47 1i11 n HIS 2 Cb 0.00 1.47 -0.11 0.00 -0.12 0.00 0.00 29.99 31.23 1i11 n HIS 2 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1i11 s ILE 3 N 0.28 0.18 -1.39 3.57 -4.36 -1.26 -5.06 121.20 113.17 1i11 s ILE 3 Ca 0.24 -0.85 -0.15 0.00 -0.26 0.00 0.00 60.65 59.63 1i11 s ILE 3 Cb 0.27 -0.30 0.07 0.00 1.25 0.00 0.00 42.46 43.75 1i11 s ILE 3 CO -0.12 -0.42 2.02 2.29 0.24 0.00 0.00 174.94 178.94 1i11 n LYS 4 N 1.73 3.04 -3.52 0.37 2.85 -1.26 -4.91 118.16 116.46 1i11 n LYS 4 Ca -0.23 -2.94 -0.41 0.00 -1.05 0.00 0.00 58.31 53.68 1i11 n LYS 4 Cb 0.55 -3.31 -0.11 0.00 -0.65 0.00 0.00 35.03 31.52 1i11 n LYS 4 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1i11 s ARG 5 N 3.20 3.19 -1.12 -1.58 3.52 -1.26 -5.00 118.95 119.90 1i11 s ARG 5 Ca 0.48 -0.85 -0.22 0.00 -0.13 0.00 0.00 55.73 55.02 1i11 s ARG 5 Cb 0.10 -3.84 -0.00 0.00 -1.56 0.00 0.00 34.95 29.65 1i11 s ARG 5 CO -0.03 -0.59 1.77 -1.25 -0.81 0.00 0.00 175.30 174.39 1i11 s PRO 6 N 1.67 3.21 0.00 5.12 0.04 -1.26 -4.91 135.00 138.87 1i11 s PRO 6 Ca 0.05 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.86 1i11 s PRO 6 Cb -0.18 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1i11 s PRO 6 CO 0.09 -2.93 0.00 0.00 0.04 0.00 0.00 177.00 174.20 1i11 n MET 7 N 8.57 1.62 -3.18 4.56 0.00 -1.26 -4.94 117.12 122.50 1i11 n MET 7 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.12 1i11 n MET 7 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.69 1i11 n MET 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i11 n ASN 8 N -2.01 0.00 -0.29 3.17 5.15 -1.26 -4.82 115.26 115.20 1i11 n ASN 8 Ca 0.00 0.00 0.26 0.00 -0.60 0.00 0.00 54.58 54.24 1i11 n ASN 8 Cb 0.00 0.00 0.60 0.00 -0.53 0.00 0.00 39.78 39.85 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 2.52 0.29 5.20 0.00 -1.88 2.97 119.26 128.36 1i11 h ALA 9 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i11 h ALA 9 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i11 h ALA 9 CO 0.00 -0.87 -0.14 0.35 0.00 0.00 0.00 179.25 178.59 1i11 h PHE 10 N 0.25 -0.37 0.00 0.00 3.57 -1.92 1.65 116.94 120.12 1i11 h PHE 10 Ca 0.54 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.04 1i11 h PHE 10 Cb 1.66 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.52 1i11 h PHE 10 CO -0.00 -0.23 0.00 -1.33 -2.23 0.00 0.00 178.31 174.52 1i11 n MET 11 N -4.10 0.15 -0.02 1.11 2.81 -0.60 0.30 117.12 116.78 1i11 n MET 11 Ca -0.05 0.61 -0.19 0.00 -1.81 0.00 0.00 57.70 56.27 1i11 n MET 11 Cb 0.16 -1.95 -0.14 0.00 -0.71 0.00 0.00 33.22 30.58 1i11 n MET 11 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1i11 h VAL 12 N 0.00 1.43 0.08 2.03 2.07 0.56 -2.08 116.25 120.34 1i11 h VAL 12 Ca 0.00 -2.41 -0.26 0.00 0.82 0.00 0.00 66.70 64.86 1i11 h VAL 12 Cb 0.05 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1i11 h VAL 12 CO 0.00 0.63 -1.20 -0.25 0.02 0.00 0.00 177.57 176.77 1i11 h TRP 13 N -0.63 0.32 0.00 1.57 7.01 0.43 -3.24 115.95 121.41 1i11 h TRP 13 Ca -0.16 -0.23 -0.01 0.00 2.11 0.00 0.00 58.89 60.60 1i11 h TRP 13 Cb 1.43 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.47 1i11 h TRP 13 CO 0.20 1.19 -0.03 0.00 -2.79 0.00 0.00 178.44 177.01 1i11 h ALA 14 N 0.72 0.99 0.00 2.65 0.00 0.45 -2.05 119.26 122.02 1i11 h ALA 14 Ca -0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1i11 h ALA 14 Cb 1.91 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1i11 h ALA 14 CO 0.17 0.04 -0.23 1.57 0.00 0.00 0.00 179.25 180.80 1i11 h LYS 15 N 0.00 0.00 0.04 0.00 2.10 -1.40 1.79 116.57 119.10 1i11 h LYS 15 Ca -0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1i11 h LYS 15 Cb 0.72 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.00 1i11 h LYS 15 CO 0.00 0.23 -2.07 -3.47 -2.00 0.00 0.00 179.45 172.14 1i11 n ASP 16 N -3.85 1.28 -0.08 7.07 -0.08 -1.13 -2.20 116.55 117.56 1i11 n ASP 16 Ca -0.02 0.17 -0.06 0.00 -1.51 0.00 0.00 54.79 53.38 1i11 n ASP 16 Cb 0.32 -0.16 0.13 0.00 2.34 0.00 0.00 41.12 43.75 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 0.02 0.74 0.03 -0.67 4.39 -0.90 1.72 114.58 119.92 1i11 h GLU 17 Ca -0.43 -0.26 -0.23 0.00 0.34 0.00 0.00 59.36 58.79 1i11 h GLU 17 Cb 2.05 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1i11 h GLU 17 CO 0.04 0.85 -1.00 0.07 -1.16 0.00 0.00 179.01 177.81 1i11 h ARG 18 N 0.67 0.28 -0.42 2.33 -0.00 0.26 0.48 114.38 117.97 1i11 h ARG 18 Ca 0.11 -0.34 -0.12 0.00 -0.00 0.00 0.00 59.98 59.62 1i11 h ARG 18 Cb 0.62 0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.68 1i11 h ARG 18 CO 0.04 1.07 -0.23 0.00 -0.00 0.00 0.00 179.97 180.86 1i11 h ARG 19 N 0.13 0.85 0.00 0.08 2.47 -0.93 2.05 114.38 119.03 1i11 h ARG 19 Ca -0.08 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1i11 h ARG 19 Cb 1.66 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.95 1i11 h ARG 19 CO 0.16 0.99 0.00 0.87 0.56 0.00 0.00 179.97 182.55 1i11 h LYS 20 N 0.73 0.00 0.02 0.04 1.79 0.28 -2.88 116.57 116.56 1i11 h LYS 20 Ca 0.10 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.17 1i11 h LYS 20 Cb 0.76 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.36 1i11 h LYS 20 CO 0.06 0.00 -2.30 -0.89 -1.08 0.00 0.00 179.45 175.24 1i11 n ILE 21 N -2.96 1.56 -0.20 1.86 5.41 0.14 -4.12 119.36 121.04 1i11 n ILE 21 Ca 0.02 -0.48 0.28 0.00 1.00 0.00 0.00 62.75 63.57 1i11 n ILE 21 Cb 0.34 -1.67 0.71 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.38 0.04 -1.01 1.39 5.85 0.33 2.91 115.31 124.45 1i11 h LEU 22 Ca -0.57 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 1i11 h LEU 22 Cb 1.78 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1i11 h LEU 22 CO -0.17 0.01 0.03 0.06 -0.34 0.00 0.00 178.44 178.03 1i11 h GLN 23 N 0.04 0.74 0.00 1.25 3.07 -1.67 1.10 115.11 119.65 1i11 h GLN 23 Ca 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1i11 h GLN 23 Cb 1.71 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 29.17 1i11 h GLN 23 CO -0.03 0.74 -0.63 0.00 0.09 0.00 0.00 178.83 179.01 1i11 n ALA 24 N -2.47 3.07 -3.00 0.06 0.00 0.82 -4.43 120.51 114.56 1i11 n ALA 24 Ca 0.03 -0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.03 1i11 n ALA 24 Cb 0.27 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1i11 n ALA 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i11 n PHE 25 N -1.97 -1.94 0.58 0.00 3.72 0.69 -4.96 117.46 113.58 1i11 n PHE 25 Ca 0.04 -2.61 0.06 0.00 -0.05 0.00 0.00 57.45 54.88 1i11 n PHE 25 Cb 0.42 0.64 0.30 0.00 -0.94 0.00 0.00 39.48 39.90 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 1.79 0.19 -0.11 -1.08 -0.04 0.37 -1.86 135.00 134.26 1i11 n PRO 26 Ca 0.17 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1i11 n PRO 26 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1i11 n PRO 26 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i11 n ASP 27 N -1.25 1.03 -4.56 3.54 8.00 -1.26 -4.74 116.55 117.31 1i11 n ASP 27 Ca 0.06 -0.06 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1i11 n ASP 27 Cb 0.09 0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1i11 s MET 28 N -2.49 1.96 1.01 -1.24 1.75 -0.78 -4.91 119.30 114.61 1i11 s MET 28 Ca -0.21 0.31 -0.17 0.00 -1.25 0.00 0.00 55.69 54.37 1i11 s MET 28 Cb 0.07 -4.85 0.22 0.00 2.84 0.00 0.00 34.83 33.12 1i11 s MET 28 CO 0.70 -3.99 1.30 -3.38 -0.65 0.00 0.00 175.02 169.01 1i11 s HIS 29 N 12.98 1.32 0.03 4.11 -3.43 -1.26 -4.27 115.29 124.77 1i11 s HIS 29 Ca 0.85 0.30 -0.07 0.00 -0.80 0.00 0.00 55.06 55.35 1i11 s HIS 29 Cb -0.11 -4.08 -0.02 0.00 -1.43 0.00 0.00 32.58 26.94 1i11 s HIS 29 CO 0.07 -2.90 1.12 -0.91 -2.00 0.00 0.00 174.74 170.11 1i11 h ASN 30 N -1.83 -0.42 -1.44 7.38 2.35 -1.96 0.97 115.58 120.62 1i11 h ASN 30 Ca -0.44 0.06 0.42 0.00 -0.55 0.00 0.00 56.30 55.79 1i11 h ASN 30 Cb 1.23 0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.72 1i11 h ASN 30 CO 0.35 -0.07 1.19 -0.24 -1.65 0.00 0.00 177.43 177.00 1i11 n SER 31 N -3.34 0.00 -0.13 5.81 2.88 -1.26 -0.18 113.62 117.40 1i11 n SER 31 Ca -0.00 0.80 -0.26 0.00 -1.33 0.00 0.00 58.87 58.08 1i11 n SER 31 Cb 0.07 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 1i11 n SER 31 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1i11 n ASN 32 N -3.43 1.83 -0.00 -3.46 3.02 0.70 -4.29 115.26 109.63 1i11 n ASN 32 Ca 0.32 0.25 0.23 0.00 -0.03 0.00 0.00 54.58 55.35 1i11 n ASN 32 Cb 1.62 -0.69 0.72 0.00 -0.61 0.00 0.00 39.78 40.82 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1i11 h ILE 33 N -0.78 0.46 -0.50 2.41 1.08 0.28 -0.23 117.51 120.23 1i11 h ILE 33 Ca -0.63 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 63.94 1i11 h ILE 33 Cb 1.60 0.61 -0.10 0.00 -3.07 0.00 0.00 36.82 35.86 1i11 h ILE 33 CO -0.35 0.00 -0.15 0.28 -0.69 0.00 0.00 178.15 177.24 1i11 h SER 34 N 0.00 -0.56 0.23 1.72 0.02 -0.75 1.86 113.55 116.07 1i11 h SER 34 Ca 0.27 0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1i11 h SER 34 Cb 1.29 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 1i11 h SER 34 CO -0.00 -0.19 -0.30 0.11 -1.14 0.00 0.00 176.83 175.31 1i11 h LYS 35 N -0.03 0.12 0.20 3.45 1.79 -1.27 0.51 116.57 121.33 1i11 h LYS 35 Ca 0.24 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1i11 h LYS 35 Cb 0.40 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1i11 h LYS 35 CO -0.54 0.41 -0.10 0.82 -1.08 0.00 0.00 179.45 178.97 1i11 h ILE 36 N 0.11 0.89 0.78 1.86 5.03 0.32 -1.32 117.51 125.17 1i11 h ILE 36 Ca 0.02 -0.80 -0.04 0.00 -0.12 0.00 0.00 64.86 63.91 1i11 h ILE 36 Cb 0.59 1.34 0.01 0.00 -3.03 0.00 0.00 36.82 35.72 1i11 h ILE 36 CO 0.04 0.17 -0.39 -0.07 -0.68 0.00 0.00 178.15 177.22 1i11 h LEU 37 N -0.69 -0.94 -0.13 1.44 3.38 0.28 0.44 115.31 119.09 1i11 h LEU 37 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i11 h LEU 37 Cb 0.49 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1i11 h LEU 37 CO 0.04 -0.65 0.15 0.61 0.09 0.00 0.00 178.44 178.68 1i11 n GLY 38 N -1.55 -0.40 0.01 0.83 0.00 0.18 0.25 105.19 104.49 1i11 n GLY 38 Ca -0.15 0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.98 1i11 n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i11 n SER 39 N -1.45 1.02 0.00 1.61 2.88 -0.18 -3.08 113.62 114.42 1i11 n SER 39 Ca -0.00 -0.04 -0.12 0.00 -1.33 0.00 0.00 58.87 57.38 1i11 n SER 39 Cb 0.15 1.76 -0.14 0.00 -0.75 0.00 0.00 64.21 65.23 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1i11 h ARG 40 N 0.00 0.08 0.56 -1.46 2.47 0.70 -3.04 114.38 113.70 1i11 h ARG 40 Ca 0.00 -0.14 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 1i11 h ARG 40 Cb 0.77 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1i11 h ARG 40 CO 0.00 0.76 -0.27 2.35 0.56 0.00 0.00 179.97 183.37 1i11 h TRP 41 N 0.02 -0.70 -0.30 3.04 2.91 0.31 -2.25 115.95 118.99 1i11 h TRP 41 Ca -0.27 -0.02 0.09 0.00 1.13 0.00 0.00 58.89 59.82 1i11 h TRP 41 Cb 1.99 0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 30.86 1i11 h TRP 41 CO 0.02 -0.38 0.32 0.87 -1.03 0.00 0.00 178.44 178.24 1i11 h LYS 42 N -1.10 0.00 0.00 2.65 1.57 -1.69 1.66 116.57 119.66 1i11 h LYS 42 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1i11 h LYS 42 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1i11 h LYS 42 CO 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1i11 n ALA 43 N -2.35 1.84 -1.53 3.86 0.00 -0.86 -4.66 120.51 116.81 1i11 n ALA 43 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1i11 n ALA 43 Cb 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.28 3.51 0.00 0.00 2.81 0.57 -5.04 117.12 117.69 1i11 n MET 44 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1i11 n MET 44 Cb 0.12 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.63 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 -5.06 114.28 107.74 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1i11 n THR 45 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1i11 n ASN 46 N -0.39 0.00 0.17 3.42 6.94 -1.26 -4.86 115.26 119.28 1i11 n ASN 46 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.69 1i11 n ASN 46 Cb 0.00 0.16 0.52 0.00 -2.36 0.00 0.00 39.78 38.10 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1i11 h LEU 47 N 0.00 0.00 0.05 -4.53 6.46 -2.00 -2.32 115.31 112.98 1i11 h LEU 47 Ca 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.62 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 -0.68 -0.33 -0.62 0.00 0.00 178.44 176.81 1i11 h GLU 48 N 0.00 0.11 -0.08 1.25 5.08 -1.97 -3.29 114.58 115.68 1i11 h GLU 48 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1i11 h GLU 48 Cb 0.48 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1i11 h GLU 48 CO 0.00 1.09 0.00 0.36 -1.00 0.00 0.00 179.01 179.46 1i11 n LYS 49 N -4.34 1.14 0.32 2.33 -0.00 -1.16 -4.13 118.16 112.32 1i11 n LYS 49 Ca -0.18 -0.22 -0.17 0.00 -0.00 0.00 0.00 58.31 57.75 1i11 n LYS 49 Cb 0.67 -1.06 -0.09 0.00 -0.00 0.00 0.00 35.03 34.56 1i11 n LYS 49 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1i11 h GLN 50 N 0.35 -0.76 0.00 -1.58 4.15 -1.48 -2.49 115.11 113.30 1i11 h GLN 50 Ca 0.00 0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1i11 h GLN 50 Cb 0.09 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1i11 h GLN 50 CO 0.00 -0.48 -0.34 -1.00 -1.93 0.00 0.00 178.83 175.08 1i11 h PRO 51 N -0.85 0.00 0.00 -2.39 0.13 -1.82 -2.47 132.00 124.60 1i11 h PRO 51 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1i11 h PRO 51 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1i11 h PRO 51 CO 0.13 0.34 0.00 0.66 -0.23 0.00 0.00 178.00 178.90 1i11 n TYR 52 N -3.33 0.00 -0.05 1.56 4.01 -1.18 -2.64 117.16 115.53 1i11 n TYR 52 Ca 0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 1i11 n TYR 52 Cb 0.56 -0.30 -0.13 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.15 -0.52 -0.72 -1.99 -0.97 -3.08 116.97 109.84 1i11 h TYR 53 Ca 0.00 -0.11 -0.12 0.00 2.00 0.00 0.00 58.73 60.50 1i11 h TYR 53 Cb 0.25 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 1i11 h TYR 53 CO 0.00 1.32 -0.14 1.05 -0.00 0.00 0.00 178.16 180.39 1i11 h GLU 54 N -0.79 1.00 0.00 4.88 4.11 -1.59 -1.15 114.58 121.05 1i11 h GLU 54 Ca -0.20 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 58.84 1i11 h GLU 54 Cb 1.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1i11 h GLU 54 CO -0.05 1.06 0.00 0.39 0.07 0.00 0.00 179.01 180.49 1i11 n GLU 55 N -4.13 0.17 -0.05 1.06 1.02 -1.08 -1.45 120.64 116.18 1i11 n GLU 55 Ca 0.01 0.47 -0.02 0.00 -0.02 0.00 0.00 57.16 57.60 1i11 n GLU 55 Cb 0.42 -1.87 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.42 3.49 5.75 -1.16 -3.13 115.11 119.63 1i11 h GLN 56 Ca 0.00 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1i11 h GLN 56 Cb 0.26 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1i11 h GLN 56 CO 0.00 0.00 0.56 0.00 -2.65 0.00 0.00 178.83 176.74 1i11 h ALA 57 N -1.23 2.11 0.43 3.38 0.00 -1.16 0.76 119.26 123.56 1i11 h ALA 57 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1i11 h ALA 57 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i11 h ALA 57 CO 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 179.25 178.26 1i11 h ARG 58 N 0.00 -0.56 0.00 0.00 2.47 -1.34 0.20 114.38 115.15 1i11 h ARG 58 Ca 0.20 0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1i11 h ARG 58 Cb 1.32 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1i11 h ARG 58 CO -0.00 -0.37 -0.10 1.37 0.56 0.00 0.00 179.97 181.42 1i11 h LEU 59 N -1.01 0.00 -0.03 3.04 8.10 -1.16 -2.54 115.31 121.71 1i11 h LEU 59 Ca -0.06 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.68 1i11 h LEU 59 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1i11 h LEU 59 CO 0.10 0.10 -1.09 -1.28 -4.11 0.00 0.00 178.44 172.15 1i11 h SER 60 N 0.00 0.46 -0.31 0.17 0.87 0.49 -1.81 113.55 113.42 1i11 h SER 60 Ca -0.00 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.09 1i11 h SER 60 Cb 0.49 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1i11 h SER 60 CO 0.01 1.28 0.03 0.50 -0.53 0.00 0.00 176.83 178.12 1i11 h LYS 61 N 0.14 0.52 -0.00 2.24 1.63 -0.54 -2.51 116.57 118.05 1i11 h LYS 61 Ca -0.11 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1i11 h LYS 61 Cb 1.78 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.35 1i11 h LYS 61 CO 0.18 0.64 -0.02 0.00 -3.45 0.00 0.00 179.45 176.80 1i11 n GLN 62 N -4.60 0.18 0.09 1.90 10.64 -1.06 -2.64 117.38 121.90 1i11 n GLN 62 Ca -0.02 -0.01 -0.05 0.00 -1.83 0.00 0.00 57.00 55.09 1i11 n GLN 62 Cb 0.23 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.09 1i11 n GLN 62 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1i11 h HIS 63 N 0.02 -0.29 0.21 2.61 2.76 -0.86 -3.21 115.15 116.39 1i11 h HIS 63 Ca 0.00 -0.01 -0.33 0.00 -2.20 0.00 0.00 60.37 57.83 1i11 h HIS 63 Cb 0.42 0.09 0.02 0.00 1.55 0.00 0.00 27.41 29.50 1i11 h HIS 63 CO 0.00 -0.18 -1.55 -0.07 -1.30 0.00 0.00 177.93 174.84 1i11 h LEU 64 N -0.90 0.71 -2.12 0.26 3.38 -1.68 -1.83 115.31 113.13 1i11 h LEU 64 Ca -0.03 -0.85 0.07 0.00 0.09 0.00 0.00 57.88 57.16 1i11 h LEU 64 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1i11 h LEU 64 CO 0.05 1.68 0.31 -0.33 0.09 0.00 0.00 178.44 180.25 1i11 h GLU 65 N 0.12 0.00 0.02 1.13 3.07 -1.70 -2.05 114.58 115.17 1i11 h GLU 65 Ca -0.27 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.26 1i11 h GLU 65 Cb 2.12 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.99 1i11 h GLU 65 CO 0.23 0.00 -1.80 1.63 -1.40 0.00 0.00 179.01 177.67 1i11 n LYS 66 N -3.61 0.60 -3.40 2.33 4.76 -1.21 -4.85 118.16 112.79 1i11 n LYS 66 Ca 0.03 0.42 -0.20 0.00 -2.87 0.00 0.00 58.31 55.69 1i11 n LYS 66 Cb 0.44 -1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1i11 n LYS 66 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1i11 s TYR 67 N -2.44 -0.04 0.00 2.13 1.13 -0.69 -5.05 117.35 112.38 1i11 s TYR 67 Ca -0.31 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 54.41 1i11 s TYR 67 Cb 0.09 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.39 1i11 s TYR 67 CO 0.59 -0.92 0.01 -0.35 -2.51 0.00 0.00 175.55 172.37 1i11 n PRO 68 N 4.38 0.00 -1.90 -3.49 -0.04 -0.94 -4.45 135.00 128.56 1i11 n PRO 68 Ca 0.09 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.19 1i11 n PRO 68 Cb 0.43 -0.17 -0.02 0.00 -0.04 0.00 0.00 33.50 33.70 1i11 n PRO 68 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1i11 n ASP 69 N -0.13 7.43 0.00 3.54 5.75 -1.26 -5.02 116.55 126.87 1i11 n ASP 69 Ca 0.00 -3.27 0.01 0.00 -0.01 0.00 0.00 54.79 51.52 1i11 n ASP 69 Cb 0.00 -1.28 0.05 0.00 -1.03 0.00 0.00 41.12 38.86 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09