#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 -2.19 -3.76 6.00 1.44 -1.26 -4.90 115.22 110.55 1i11 n HIS 2 Ca 0.00 0.91 -0.37 0.00 -2.01 0.00 0.00 57.72 56.25 1i11 n HIS 2 Cb 0.00 -2.27 -0.12 0.00 0.12 0.00 0.00 29.99 27.72 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 -2.36 3.52 -1.04 0.61 -4.36 -1.26 -5.02 121.20 111.30 1i11 s ILE 3 Ca 0.14 -1.65 -0.24 0.00 -0.26 0.00 0.00 60.65 58.65 1i11 s ILE 3 Cb -0.01 -3.22 -0.07 0.00 1.25 0.00 0.00 42.46 40.41 1i11 s ILE 3 CO 0.86 -0.47 1.94 -0.54 0.24 0.00 0.00 174.94 176.98 1i11 s LYS 4 N 1.27 2.51 -0.05 0.37 1.02 -1.26 -4.92 119.74 118.68 1i11 s LYS 4 Ca 0.03 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 1i11 s LYS 4 Cb -0.22 -5.15 -0.05 0.00 -0.52 0.00 0.00 37.83 31.90 1i11 s LYS 4 CO -0.01 -3.69 1.48 1.03 -0.92 0.00 0.00 175.35 173.24 1i11 s ARG 5 N 6.77 4.23 -1.08 1.68 0.52 -1.26 -4.90 118.95 124.91 1i11 s ARG 5 Ca 0.69 2.01 -0.22 0.00 -0.52 0.00 0.00 55.73 57.69 1i11 s ARG 5 Cb -0.04 -3.76 0.01 0.00 0.52 0.00 0.00 34.95 31.69 1i11 s ARG 5 CO 0.06 -0.71 1.70 -1.25 0.02 0.00 0.00 175.30 175.13 1i11 s PRO 6 N 3.19 3.27 0.09 3.54 0.04 -1.26 -4.73 135.00 139.14 1i11 s PRO 6 Ca 0.66 -1.12 0.05 0.00 0.04 0.00 0.00 61.00 60.63 1i11 s PRO 6 Cb -0.31 -5.31 -0.23 0.00 0.04 0.00 0.00 34.50 28.69 1i11 s PRO 6 CO 0.26 -2.76 1.16 0.52 0.04 0.00 0.00 177.00 176.22 1i11 h MET 7 N 9.65 0.06 -1.38 4.56 2.86 -1.97 -3.49 114.93 125.23 1i11 h MET 7 Ca 0.23 -0.10 0.37 0.00 -2.06 0.00 0.00 59.70 58.14 1i11 h MET 7 Cb 0.97 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.55 1i11 h MET 7 CO 1.35 0.99 0.93 1.21 1.06 0.00 0.00 176.91 182.45 1i11 s ASN 8 N -6.73 -0.02 0.58 1.22 2.47 -1.26 -4.97 114.94 106.23 1i11 s ASN 8 Ca -0.01 -0.07 0.36 0.00 0.42 0.00 0.00 52.86 53.56 1i11 s ASN 8 Cb 0.09 0.08 1.73 0.00 -1.45 0.00 0.00 41.25 41.70 1i11 s ASN 8 CO 0.83 -0.14 2.13 0.00 -3.72 0.00 0.00 177.10 176.20 1i11 h ALA 9 N 2.00 1.04 0.39 1.71 0.00 -1.88 -2.30 119.26 120.22 1i11 h ALA 9 Ca -0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1i11 h ALA 9 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i11 h ALA 9 CO 0.30 0.03 -0.19 0.35 0.00 0.00 0.00 179.25 179.74 1i11 h PHE 10 N 0.00 -0.49 0.00 0.00 3.57 -1.93 2.40 116.94 120.49 1i11 h PHE 10 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1i11 h PHE 10 Cb 0.32 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1i11 h PHE 10 CO 0.00 -0.30 0.00 0.52 -2.23 0.00 0.00 178.31 176.30 1i11 h MET 11 N -0.87 0.00 0.05 1.11 2.86 -1.94 2.57 114.93 118.70 1i11 h MET 11 Ca -0.05 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 1i11 h MET 11 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1i11 h MET 11 CO 0.09 0.00 -0.65 0.28 1.06 0.00 0.00 176.91 177.69 1i11 h VAL 12 N 0.00 1.43 0.06 -2.22 2.07 -1.04 -2.49 116.25 114.07 1i11 h VAL 12 Ca 0.00 -2.36 -0.24 0.00 0.82 0.00 0.00 66.70 64.93 1i11 h VAL 12 Cb 0.02 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1i11 h VAL 12 CO 0.00 0.58 -1.10 -0.25 0.02 0.00 0.00 177.57 176.82 1i11 h TRP 13 N -0.77 0.26 0.00 1.57 7.01 0.56 -3.21 115.95 121.37 1i11 h TRP 13 Ca -0.15 -0.19 -0.08 0.00 2.11 0.00 0.00 58.89 60.58 1i11 h TRP 13 Cb 1.31 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.35 1i11 h TRP 13 CO 0.20 1.13 -0.38 0.00 -2.79 0.00 0.00 178.44 176.60 1i11 h ALA 14 N 0.80 0.97 0.00 2.65 0.00 0.43 0.20 119.26 124.31 1i11 h ALA 14 Ca -0.07 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1i11 h ALA 14 Cb 1.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1i11 h ALA 14 CO 0.16 0.48 -0.31 1.57 0.00 0.00 0.00 179.25 181.15 1i11 h LYS 15 N 0.00 0.00 0.00 0.00 5.09 -1.44 1.38 116.57 121.60 1i11 h LYS 15 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.41 1i11 h LYS 15 Cb 0.93 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.20 1i11 h LYS 15 CO 0.05 0.31 -2.02 -3.47 -2.09 0.00 0.00 179.45 172.23 1i11 n ASP 16 N -4.09 0.48 -0.00 7.07 -0.08 -1.06 -2.64 116.55 116.24 1i11 n ASP 16 Ca -0.02 0.22 -0.08 0.00 -1.51 0.00 0.00 54.79 53.41 1i11 n ASP 16 Cb 0.36 0.42 0.09 0.00 2.34 0.00 0.00 41.12 44.33 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 0.00 0.56 0.02 -0.67 4.39 -0.12 1.76 114.58 120.52 1i11 h GLU 17 Ca -0.41 -0.30 -0.22 0.00 0.34 0.00 0.00 59.36 58.77 1i11 h GLU 17 Cb 2.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1i11 h GLU 17 CO 0.06 0.89 -0.97 0.07 -1.16 0.00 0.00 179.01 177.90 1i11 h ARG 18 N 0.45 0.26 -0.42 2.33 0.11 0.17 0.46 114.38 117.75 1i11 h ARG 18 Ca 0.03 -0.31 -0.14 0.00 0.10 0.00 0.00 59.98 59.66 1i11 h ARG 18 Cb 0.95 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 1i11 h ARG 18 CO 0.09 1.05 -0.29 0.07 0.10 0.00 0.00 179.97 180.98 1i11 h ARG 19 N 0.13 0.94 0.00 0.08 0.11 -1.24 2.00 114.38 116.40 1i11 h ARG 19 Ca -0.07 -0.45 -0.03 0.00 0.10 0.00 0.00 59.98 59.54 1i11 h ARG 19 Cb 1.62 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.69 1i11 h ARG 19 CO 0.15 1.11 -0.13 -0.22 0.10 0.00 0.00 179.97 180.98 1i11 h LYS 20 N 0.76 0.00 0.03 0.08 3.64 0.29 -2.93 116.57 118.44 1i11 h LYS 20 Ca 0.08 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.07 1i11 h LYS 20 Cb 0.87 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.63 1i11 h LYS 20 CO 0.08 0.13 -2.34 -0.89 -2.27 0.00 0.00 179.45 174.16 1i11 n ILE 21 N -3.28 1.56 -0.21 2.00 -0.00 0.16 -3.99 119.36 115.60 1i11 n ILE 21 Ca 0.00 -0.54 0.24 0.00 -0.00 0.00 0.00 62.75 62.45 1i11 n ILE 21 Cb 0.38 -1.57 0.62 0.00 -0.00 0.00 0.00 39.64 39.08 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 -0.15 0.20 -1.01 1.39 5.85 0.32 2.68 115.31 124.58 1i11 h LEU 22 Ca -0.56 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 1i11 h LEU 22 Cb 1.87 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 1i11 h LEU 22 CO -0.10 0.07 -0.06 0.06 -0.34 0.00 0.00 178.44 178.07 1i11 h GLN 23 N 0.19 0.65 0.00 1.25 3.07 -1.67 2.23 115.11 120.82 1i11 h GLN 23 Ca 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1i11 h GLN 23 Cb 1.46 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.95 1i11 h GLN 23 CO -0.10 0.71 -0.32 0.00 0.09 0.00 0.00 178.83 179.21 1i11 h ALA 24 N 1.34 0.81 -0.76 0.06 0.00 0.36 -3.38 119.26 117.69 1i11 h ALA 24 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 1i11 h ALA 24 Cb 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.02 1i11 h ALA 24 CO 0.02 0.00 -0.72 1.19 0.00 0.00 0.00 179.25 179.74 1i11 n PHE 25 N -2.47 -2.17 1.09 0.00 3.72 0.61 -4.95 117.46 113.29 1i11 n PHE 25 Ca 0.04 -2.48 0.09 0.00 -0.05 0.00 0.00 57.45 55.05 1i11 n PHE 25 Cb 0.47 0.85 0.52 0.00 -0.94 0.00 0.00 39.48 40.38 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 1.41 0.52 -0.08 -1.08 -0.04 0.74 -1.98 135.00 134.49 1i11 n PRO 26 Ca 0.13 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1i11 n PRO 26 Cb 0.60 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.04 1.38 -4.56 3.54 8.00 -1.26 -4.82 116.55 117.79 1i11 n ASP 27 Ca 0.13 -0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.24 1i11 n ASP 27 Cb 0.07 0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 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 -2.37 2.37 0.27 -1.24 1.75 -0.84 -4.85 119.30 114.39 1i11 s MET 28 Ca -0.09 1.27 -0.30 0.00 -1.25 0.00 0.00 55.69 55.31 1i11 s MET 28 Cb 0.05 -4.50 -0.13 0.00 2.84 0.00 0.00 34.83 33.09 1i11 s MET 28 CO 0.60 -2.99 1.39 1.58 -0.65 0.00 0.00 175.02 174.96 1i11 n HIS 29 N 14.54 2.24 -0.09 4.11 -0.00 -1.26 -4.55 115.22 130.22 1i11 n HIS 29 Ca 0.31 0.45 0.26 0.00 0.46 0.00 0.00 57.72 59.20 1i11 n HIS 29 Cb 0.53 -2.46 0.64 0.00 -0.12 0.00 0.00 29.99 28.59 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1i11 h ASN 30 N 3.83 0.00 -0.32 0.26 -1.24 -1.94 2.12 115.58 118.30 1i11 h ASN 30 Ca -0.45 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.65 1i11 h ASN 30 Cb 1.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 1i11 h ASN 30 CO 0.73 0.00 0.28 -1.28 -1.29 0.00 0.00 177.43 175.87 1i11 h SER 31 N 0.00 0.00 0.00 1.15 0.87 -1.98 -2.05 113.55 111.54 1i11 h SER 31 Ca 0.36 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.64 1i11 h SER 31 Cb 1.94 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.85 1i11 h SER 31 CO -0.00 0.00 -2.06 -3.20 -0.53 0.00 0.00 176.83 171.03 1i11 n ASN 32 N -4.04 2.06 -0.04 6.23 2.85 0.71 -4.35 115.26 118.68 1i11 n ASN 32 Ca 0.05 -0.06 0.24 0.00 -0.11 0.00 0.00 54.58 54.69 1i11 n ASN 32 Cb 0.44 0.15 0.72 0.00 1.24 0.00 0.00 39.78 42.33 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 0.48 -0.56 -1.44 1.08 -0.77 0.20 117.51 116.50 1i11 h ILE 33 Ca -0.42 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.13 1i11 h ILE 33 Cb 1.76 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 36.05 1i11 h ILE 33 CO -0.03 0.00 0.22 0.28 -0.69 0.00 0.00 178.15 177.93 1i11 h SER 34 N 0.00 0.25 0.50 1.72 0.02 -1.58 1.16 113.55 115.62 1i11 h SER 34 Ca 0.30 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1i11 h SER 34 Cb 1.39 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.94 1i11 h SER 34 CO -0.00 0.16 -0.46 0.11 -1.14 0.00 0.00 176.83 175.50 1i11 h LYS 35 N 0.42 0.00 0.25 3.45 6.56 -0.87 -0.27 116.57 126.11 1i11 h LYS 35 Ca 0.27 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.85 1i11 h LYS 35 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1i11 h LYS 35 CO -0.26 0.46 -0.12 0.82 -2.06 0.00 0.00 179.45 178.30 1i11 h ILE 36 N 0.00 0.79 0.66 1.86 5.03 -0.07 -0.72 117.51 125.06 1i11 h ILE 36 Ca -0.00 -0.70 -0.03 0.00 -0.12 0.00 0.00 64.86 64.01 1i11 h ILE 36 Cb 0.83 1.17 -0.01 0.00 -3.03 0.00 0.00 36.82 35.78 1i11 h ILE 36 CO 0.06 0.14 -0.48 -0.07 -0.68 0.00 0.00 178.15 177.12 1i11 h LEU 37 N -0.71 -1.25 -0.56 1.44 3.38 0.13 1.30 115.31 119.04 1i11 h LEU 37 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i11 h LEU 37 Cb 0.49 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i11 h LEU 37 CO 0.06 -0.69 0.08 0.61 0.09 0.00 0.00 178.44 178.58 1i11 n GLY 38 N -1.58 -0.59 0.01 0.83 0.00 -0.13 0.20 105.19 103.94 1i11 n GLY 38 Ca -0.13 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1i11 n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i11 n SER 39 N -1.77 0.81 -0.00 1.61 3.41 -0.19 -3.13 113.62 114.36 1i11 n SER 39 Ca -0.01 -0.21 -0.08 0.00 -0.26 0.00 0.00 58.87 58.31 1i11 n SER 39 Cb 0.09 1.65 -0.13 0.00 -0.26 0.00 0.00 64.21 65.55 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1i11 h ARG 40 N 0.00 0.00 0.52 4.33 2.47 1.10 -3.06 114.38 119.73 1i11 h ARG 40 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1i11 h ARG 40 Cb 0.74 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1i11 h ARG 40 CO 0.00 0.59 -0.25 2.35 0.56 0.00 0.00 179.97 183.22 1i11 h TRP 41 N 0.00 -0.65 -0.01 3.04 2.91 0.22 -2.76 115.95 118.71 1i11 h TRP 41 Ca -0.22 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.78 1i11 h TRP 41 Cb 1.95 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 30.81 1i11 h TRP 41 CO 0.00 -0.37 0.08 0.87 -1.03 0.00 0.00 178.44 177.98 1i11 h LYS 42 N -1.16 0.00 -0.57 2.65 1.57 -1.70 0.64 116.57 118.00 1i11 h LYS 42 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1i11 h LYS 42 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1i11 h LYS 42 CO 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1i11 n ALA 43 N -2.06 2.69 -1.80 3.86 0.00 -1.05 -4.81 120.51 117.34 1i11 n ALA 43 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1i11 n ALA 43 Cb 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.14 3.60 -0.43 0.00 2.81 0.22 -4.99 117.12 118.48 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 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.87 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 -5.01 114.28 107.80 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 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.31 3.42 2.85 -1.26 -4.24 115.26 116.35 1i11 n ASN 46 Ca 0.00 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.66 1i11 n ASN 46 Cb 0.58 0.00 1.02 0.00 1.24 0.00 0.00 39.78 42.62 1i11 n ASN 46 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1i11 h LEU 47 N 0.00 0.00 0.20 1.20 4.07 -2.00 -0.49 115.31 118.29 1i11 h LEU 47 Ca 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 1i11 h LEU 47 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 1i11 h LEU 47 CO 0.00 0.02 -1.54 -0.33 -1.08 0.00 0.00 178.44 175.51 1i11 h GLU 48 N 0.00 0.43 -0.15 1.13 5.08 -1.96 -3.22 114.58 115.89 1i11 h GLU 48 Ca -0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 1i11 h GLU 48 Cb 0.13 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1i11 h GLU 48 CO 0.00 1.34 0.00 0.36 -1.00 0.00 0.00 179.01 179.71 1i11 n LYS 49 N -3.62 1.43 0.10 2.33 2.85 -0.56 -4.13 118.16 116.55 1i11 n LYS 49 Ca -0.18 -0.66 -0.13 0.00 -1.05 0.00 0.00 58.31 56.29 1i11 n LYS 49 Cb 1.08 -1.23 -0.08 0.00 -0.65 0.00 0.00 35.03 34.15 1i11 n LYS 49 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1i11 h GLN 50 N 1.17 -0.17 0.00 -1.58 4.15 -1.14 -2.20 115.11 115.34 1i11 h GLN 50 Ca 0.00 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1i11 h GLN 50 Cb 0.26 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1i11 h GLN 50 CO 0.00 -0.06 -0.50 -1.00 -1.93 0.00 0.00 178.83 175.34 1i11 h PRO 51 N -0.24 0.00 0.00 -2.39 0.13 -1.81 -2.31 132.00 125.38 1i11 h PRO 51 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1i11 h PRO 51 Cb 0.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1i11 h PRO 51 CO 0.03 0.50 0.00 0.66 -0.23 0.00 0.00 178.00 178.96 1i11 n TYR 52 N -3.41 0.00 -0.03 1.56 4.01 -1.12 -1.84 117.16 116.32 1i11 n TYR 52 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1i11 n TYR 52 Cb 0.64 -0.37 -0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.32 -0.72 0.05 -0.81 -3.25 116.97 111.92 1i11 h TYR 53 Ca 0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1i11 h TYR 53 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1i11 h TYR 53 CO 0.00 0.00 0.25 1.05 -1.05 0.00 0.00 178.16 178.41 1i11 h GLU 54 N -0.59 0.00 0.00 4.88 4.11 -1.56 0.68 114.58 122.10 1i11 h GLU 54 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1i11 h GLU 54 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i11 h GLU 54 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.01 1i11 h GLU 55 N 0.00 0.00 0.00 1.06 4.39 -1.47 -0.54 114.58 118.02 1i11 h GLU 55 Ca 0.15 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1i11 h GLU 55 Cb 0.65 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1i11 h GLU 55 CO -0.00 0.00 -0.33 -0.56 -1.16 0.00 0.00 179.01 176.95 1i11 h GLN 56 N 0.00 0.00 -0.05 2.33 3.07 0.34 -2.83 115.11 117.97 1i11 h GLN 56 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1i11 h GLN 56 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.74 1i11 h GLN 56 CO 0.00 0.81 -0.03 0.00 0.09 0.00 0.00 178.83 179.71 1i11 h ALA 57 N -0.30 1.87 0.48 0.06 0.00 -1.41 0.38 119.26 120.34 1i11 h ALA 57 Ca -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1i11 h ALA 57 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1i11 h ALA 57 CO -0.05 0.10 -0.23 0.00 0.00 0.00 0.00 179.25 179.07 1i11 h ARG 58 N 0.06 -0.62 0.00 0.00 2.47 -1.20 -2.65 114.38 112.45 1i11 h ARG 58 Ca 0.02 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1i11 h ARG 58 Cb 0.09 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1i11 h ARG 58 CO 0.00 -0.38 0.00 1.47 0.56 0.00 0.00 179.97 181.62 1i11 n LEU 59 N -5.20 0.12 -0.01 3.04 -0.00 -1.07 -1.73 117.00 112.14 1i11 n LEU 59 Ca -0.08 0.55 -0.17 0.00 -0.00 0.00 0.00 56.01 56.30 1i11 n LEU 59 Cb 0.27 -0.55 -0.13 0.00 -0.00 0.00 0.00 43.42 43.00 1i11 n LEU 59 CO 0.21 -0.50 0.24 0.77 -0.00 0.00 0.00 177.39 178.11 1i11 h SER 60 N 0.00 0.25 -0.54 1.45 4.64 -0.74 -0.18 113.55 118.42 1i11 h SER 60 Ca 0.00 -0.94 -0.11 0.00 -0.47 0.00 0.00 61.79 60.27 1i11 h SER 60 Cb 0.08 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1i11 h SER 60 CO 0.00 1.17 -0.09 0.50 -0.87 0.00 0.00 176.83 177.54 1i11 h LYS 61 N -0.63 1.03 0.00 4.77 1.63 -1.02 -2.48 116.57 119.87 1i11 h LYS 61 Ca -0.07 -0.37 -0.11 0.00 -0.85 0.00 0.00 60.65 59.26 1i11 h LYS 61 Cb 1.28 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 1i11 h LYS 61 CO 0.08 1.06 -0.52 1.96 -3.45 0.00 0.00 179.45 178.57 1i11 h GLN 62 N 0.92 0.00 0.28 1.90 4.20 -1.42 -2.89 115.11 118.10 1i11 h GLN 62 Ca 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1i11 h GLN 62 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1i11 h GLN 62 CO 0.04 0.52 -0.35 1.25 -0.67 0.00 0.00 178.83 179.63 1i11 h HIS 63 N 0.00 -0.98 -0.31 2.96 2.76 -0.54 0.49 115.15 119.53 1i11 h HIS 63 Ca -0.01 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1i11 h HIS 63 Cb 1.00 0.39 -0.04 0.00 1.55 0.00 0.00 27.41 30.31 1i11 h HIS 63 CO 0.00 -0.45 0.06 -0.07 -1.30 0.00 0.00 177.93 176.18 1i11 h LEU 64 N -0.64 0.01 -1.04 0.26 3.38 -1.59 0.39 115.31 116.08 1i11 h LEU 64 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i11 h LEU 64 Cb 0.58 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1i11 h LEU 64 CO -0.08 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.87 1i11 n GLU 65 N -5.09 0.11 -0.01 1.13 -0.58 -1.02 -1.15 120.64 114.03 1i11 n GLU 65 Ca 0.00 0.59 -0.05 0.00 -0.42 0.00 0.00 57.16 57.28 1i11 n GLU 65 Cb 0.14 -1.84 -0.12 0.00 -0.57 0.00 0.00 31.44 29.05 1i11 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i11 n LYS 66 N -2.07 0.63 -3.71 3.49 4.76 0.17 -4.57 118.16 116.86 1i11 n LYS 66 Ca -0.01 0.25 -0.34 0.00 -2.87 0.00 0.00 58.31 55.34 1i11 n LYS 66 Cb 0.04 -1.78 -0.08 0.00 -1.84 0.00 0.00 35.03 31.36 1i11 n LYS 66 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1i11 s TYR 67 N -2.72 3.74 -0.04 2.13 2.02 -0.30 -4.88 117.35 117.30 1i11 s TYR 67 Ca -0.04 -3.06 -0.00 0.00 -0.37 0.00 0.00 57.07 53.59 1i11 s TYR 67 Cb 0.08 -3.11 -0.00 0.00 -0.40 0.00 0.00 41.96 38.53 1i11 s TYR 67 CO 0.82 -0.71 0.03 -1.00 -1.57 0.00 0.00 175.55 173.12 1i11 h PRO 68 N 6.04 -0.01 -2.68 -1.71 0.13 -1.81 -3.35 132.00 128.61 1i11 h PRO 68 Ca 0.12 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.88 1i11 h PRO 68 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1i11 h PRO 68 CO 0.80 -0.01 1.66 -3.47 -0.23 0.00 0.00 178.00 176.75 1i11 n ASP 69 N -3.09 5.98 0.00 1.44 -0.08 -1.26 -5.17 116.55 114.37 1i11 n ASP 69 Ca -0.00 -2.41 0.01 0.00 -1.51 0.00 0.00 54.79 50.88 1i11 n ASP 69 Cb 0.01 -1.30 0.05 0.00 2.34 0.00 0.00 41.12 42.22 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32