#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 2.26 -4.45 0.54 1.44 -1.26 -5.07 115.22 108.68 1i11 n HIS 2 Ca 0.00 -2.70 -0.29 0.00 -2.01 0.00 0.00 57.72 52.72 1i11 n HIS 2 Cb 0.00 -0.24 -0.08 0.00 0.12 0.00 0.00 29.99 29.79 1i11 n HIS 2 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1i11 s ILE 3 N -4.35 1.75 -0.29 0.61 1.01 -1.26 -5.00 121.20 113.66 1i11 s ILE 3 Ca 0.39 -1.86 0.03 0.00 0.00 0.00 0.00 60.65 59.21 1i11 s ILE 3 Cb 0.41 -2.60 0.35 0.00 0.01 0.00 0.00 42.46 40.63 1i11 s ILE 3 CO -0.05 0.00 1.41 1.17 0.00 0.00 0.00 174.94 177.47 1i11 n LYS 4 N -1.24 1.87 -3.96 2.79 4.81 -1.26 -4.74 118.16 116.43 1i11 n LYS 4 Ca -0.08 -1.54 -0.34 0.00 -0.87 0.00 0.00 58.31 55.48 1i11 n LYS 4 Cb 0.66 -1.65 -0.14 0.00 0.02 0.00 0.00 35.03 33.92 1i11 n LYS 4 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1i11 s ARG 5 N -1.71 2.21 0.00 1.64 3.52 -1.26 -5.00 118.95 118.35 1i11 s ARG 5 Ca 0.29 -1.42 0.00 0.00 -0.13 0.00 0.00 55.73 54.47 1i11 s ARG 5 Cb 0.24 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1i11 s ARG 5 CO 0.06 -0.69 0.00 -0.35 -0.81 0.00 0.00 175.30 173.51 1i11 n PRO 6 N 4.51 0.66 0.00 5.12 -0.04 -1.26 -4.89 135.00 139.10 1i11 n PRO 6 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1i11 n PRO 6 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1i11 n PRO 6 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1i11 n MET 7 N -0.29 0.00 0.00 0.54 2.81 -1.26 -5.14 117.12 113.78 1i11 n MET 7 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1i11 n MET 7 Cb 0.00 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 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 -2.41 0.00 0.28 7.83 5.15 -1.26 -4.94 115.26 119.91 1i11 n ASN 8 Ca 0.00 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.13 1i11 n ASN 8 Cb 0.00 0.00 0.83 0.00 -0.53 0.00 0.00 39.78 40.08 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 1.22 0.30 5.20 0.00 -1.89 -0.39 119.26 123.70 1i11 h ALA 9 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1i11 h ALA 9 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i11 h ALA 9 CO 0.00 0.09 -0.15 0.35 0.00 0.00 0.00 179.25 179.54 1i11 h PHE 10 N 0.00 -0.38 0.00 0.00 3.04 -1.93 1.64 116.94 119.31 1i11 h PHE 10 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1i11 h PHE 10 Cb 0.27 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.90 1i11 h PHE 10 CO 0.00 -0.23 0.00 0.52 -2.02 0.00 0.00 178.31 176.58 1i11 h MET 11 N -0.67 0.00 0.05 1.11 0.00 -1.90 2.69 114.93 116.22 1i11 h MET 11 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.55 1i11 h MET 11 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.91 1i11 h MET 11 CO 0.07 0.00 -0.51 0.28 0.00 0.00 0.00 176.91 176.75 1i11 h VAL 12 N 0.00 1.54 0.18 -2.22 2.07 -0.74 -1.90 116.25 115.18 1i11 h VAL 12 Ca 0.00 -2.39 -0.30 0.00 0.82 0.00 0.00 66.70 64.83 1i11 h VAL 12 Cb 0.01 3.14 0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1i11 h VAL 12 CO 0.00 0.61 -1.36 -0.25 0.02 0.00 0.00 177.57 176.59 1i11 h TRP 13 N -0.76 0.70 0.00 1.57 7.01 0.43 -3.25 115.95 121.64 1i11 h TRP 13 Ca -0.11 -0.51 -0.03 0.00 2.11 0.00 0.00 58.89 60.34 1i11 h TRP 13 Cb 1.29 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.31 1i11 h TRP 13 CO 0.22 1.41 -0.16 0.00 -2.79 0.00 0.00 178.44 177.12 1i11 h ALA 14 N 0.39 0.99 -0.01 2.65 0.00 0.45 0.26 119.26 123.99 1i11 h ALA 14 Ca -0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1i11 h ALA 14 Cb 2.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1i11 h ALA 14 CO 0.23 0.20 -0.37 1.57 0.00 0.00 0.00 179.25 180.89 1i11 h LYS 15 N 0.00 0.02 0.05 0.00 2.10 -1.37 1.93 116.57 119.29 1i11 h LYS 15 Ca -0.00 -0.01 -0.35 0.00 -2.00 0.00 0.00 60.65 58.29 1i11 h LYS 15 Cb 0.75 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.03 1i11 h LYS 15 CO 0.02 0.38 -2.04 -3.47 -2.00 0.00 0.00 179.45 172.34 1i11 n ASP 16 N -4.10 1.38 -0.09 7.07 -0.08 -1.04 -2.17 116.55 117.51 1i11 n ASP 16 Ca -0.02 0.19 -0.06 0.00 -1.51 0.00 0.00 54.79 53.39 1i11 n ASP 16 Cb 0.40 -0.25 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 0.03 0.77 -0.00 -0.67 4.39 -0.20 1.91 114.58 120.81 1i11 h GLU 17 Ca -0.42 -0.25 -0.22 0.00 0.34 0.00 0.00 59.36 58.80 1i11 h GLU 17 Cb 2.04 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1i11 h GLU 17 CO 0.05 0.85 -0.93 0.07 -1.16 0.00 0.00 179.01 177.88 1i11 h ARG 18 N 0.70 0.39 -0.43 2.33 -0.00 0.29 0.25 114.38 117.91 1i11 h ARG 18 Ca 0.12 -0.42 -0.11 0.00 -0.00 0.00 0.00 59.98 59.56 1i11 h ARG 18 Cb 0.58 0.12 -0.02 0.00 -0.00 0.00 0.00 29.97 30.66 1i11 h ARG 18 CO 0.04 1.09 -0.18 0.00 -0.00 0.00 0.00 179.97 180.92 1i11 h ARG 19 N 0.22 0.84 0.00 0.08 2.47 -0.90 2.16 114.38 119.25 1i11 h ARG 19 Ca -0.08 -0.33 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 1i11 h ARG 19 Cb 1.57 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.84 1i11 h ARG 19 CO 0.16 0.96 -0.09 -0.22 0.56 0.00 0.00 179.97 181.34 1i11 h LYS 20 N 0.74 0.00 0.03 0.04 3.64 0.33 -2.71 116.57 118.64 1i11 h LYS 20 Ca 0.11 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.10 1i11 h LYS 20 Cb 0.71 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 1i11 h LYS 20 CO 0.05 0.09 -2.27 -0.89 -2.27 0.00 0.00 179.45 174.16 1i11 n ILE 21 N -3.19 1.56 -0.10 2.00 -0.00 0.86 -4.13 119.36 116.36 1i11 n ILE 21 Ca 0.01 -0.48 0.26 0.00 -0.00 0.00 0.00 62.75 62.54 1i11 n ILE 21 Cb 0.40 -1.67 0.72 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 -0.36 0.00 -0.84 1.39 5.85 0.35 1.48 115.31 123.19 1i11 h LEU 22 Ca -0.56 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 1i11 h LEU 22 Cb 1.79 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.79 1i11 h LEU 22 CO -0.16 0.00 0.22 0.06 -0.34 0.00 0.00 178.44 178.22 1i11 h GLN 23 N 0.00 1.08 0.00 1.25 3.07 -1.64 1.36 115.11 120.24 1i11 h GLN 23 Ca 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 58.87 1i11 h GLN 23 Cb 1.47 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1i11 h GLN 23 CO -0.00 0.92 -0.15 0.00 0.09 0.00 0.00 178.83 179.69 1i11 n ALA 24 N -2.45 2.53 -2.92 0.06 0.00 0.46 -4.30 120.51 113.89 1i11 n ALA 24 Ca 0.06 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1i11 n ALA 24 Cb 0.22 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.89 -2.53 0.56 0.00 3.72 0.15 -4.96 117.46 112.51 1i11 n PHE 25 Ca 0.06 -2.24 0.06 0.00 -0.05 0.00 0.00 57.45 55.28 1i11 n PHE 25 Cb 0.39 0.98 0.31 0.00 -0.94 0.00 0.00 39.48 40.21 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 2.02 0.15 -0.10 -1.08 -0.04 0.44 -1.63 135.00 134.76 1i11 n PRO 26 Ca 0.16 0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1i11 n PRO 26 Cb 0.58 -1.50 -0.15 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 -1.33 0.65 -4.56 3.54 9.92 -1.26 -4.72 116.55 118.80 1i11 n ASP 27 Ca 0.05 -0.01 -0.16 0.00 -0.53 0.00 0.00 54.79 54.14 1i11 n ASP 27 Cb 0.11 0.50 -0.07 0.00 -0.64 0.00 0.00 41.12 41.02 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1i11 s MET 28 N -2.51 1.81 1.01 -1.24 1.75 -0.65 -4.89 119.30 114.58 1i11 s MET 28 Ca -0.17 0.30 -0.16 0.00 -1.25 0.00 0.00 55.69 54.41 1i11 s MET 28 Cb 0.07 -4.85 0.21 0.00 2.84 0.00 0.00 34.83 33.10 1i11 s MET 28 CO 0.77 -4.22 1.26 -3.38 -0.65 0.00 0.00 175.02 168.79 1i11 s HIS 29 N 13.75 1.47 0.05 4.11 -3.43 -1.26 -4.28 115.29 125.70 1i11 s HIS 29 Ca 0.87 0.41 -0.10 0.00 -0.80 0.00 0.00 55.06 55.45 1i11 s HIS 29 Cb -0.11 -3.89 -0.02 0.00 -1.43 0.00 0.00 32.58 27.12 1i11 s HIS 29 CO 0.06 -2.87 1.17 -1.71 -2.00 0.00 0.00 174.74 169.39 1i11 n ASN 30 N -3.97 -0.34 -0.58 7.38 2.85 -1.26 -0.03 115.26 119.30 1i11 n ASN 30 Ca 0.14 1.25 0.44 0.00 -0.11 0.00 0.00 54.58 56.30 1i11 n ASN 30 Cb 0.60 -0.41 0.67 0.00 1.24 0.00 0.00 39.78 41.88 1i11 n ASN 30 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1i11 n SER 31 N -3.73 0.00 -0.13 1.20 3.41 -1.26 -0.34 113.62 112.78 1i11 n SER 31 Ca 0.01 0.82 -0.27 0.00 -0.26 0.00 0.00 58.87 59.16 1i11 n SER 31 Cb 0.08 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1i11 n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i11 n ASN 32 N -3.57 1.87 -0.02 4.04 3.02 0.96 -4.33 115.26 117.23 1i11 n ASN 32 Ca 0.37 0.27 0.23 0.00 -0.03 0.00 0.00 54.58 55.42 1i11 n ASN 32 Cb 1.67 -0.73 0.72 0.00 -0.61 0.00 0.00 39.78 40.83 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 -0.84 0.48 -0.41 2.41 1.08 0.16 0.20 117.51 120.58 1i11 h ILE 33 Ca -0.65 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 63.89 1i11 h ILE 33 Cb 1.61 0.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.91 1i11 h ILE 33 CO -0.37 0.00 0.04 0.28 -0.69 0.00 0.00 178.15 177.41 1i11 h SER 34 N 0.00 -0.07 0.49 1.72 0.02 -0.88 0.76 113.55 115.59 1i11 h SER 34 Ca 0.29 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.28 1i11 h SER 34 Cb 1.32 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 1i11 h SER 34 CO -0.00 -0.00 -0.20 0.11 -1.14 0.00 0.00 176.83 175.59 1i11 h LYS 35 N 0.16 0.00 0.21 3.45 1.57 -1.18 0.28 116.57 121.06 1i11 h LYS 35 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1i11 h LYS 35 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1i11 h LYS 35 CO -0.30 0.20 -0.10 0.82 -0.57 0.00 0.00 179.45 179.51 1i11 h ILE 36 N 0.00 0.77 0.74 1.86 5.03 -0.10 -1.66 117.51 124.15 1i11 h ILE 36 Ca -0.00 -0.97 -0.04 0.00 -0.12 0.00 0.00 64.86 63.73 1i11 h ILE 36 Cb 0.50 1.26 0.01 0.00 -3.03 0.00 0.00 36.82 35.56 1i11 h ILE 36 CO 0.03 0.18 -0.35 -0.07 -0.68 0.00 0.00 178.15 177.26 1i11 h LEU 37 N -0.84 -0.84 -1.19 1.44 3.38 0.55 0.85 115.31 118.66 1i11 h LEU 37 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i11 h LEU 37 Cb 0.51 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1i11 h LEU 37 CO 0.05 -0.57 0.19 1.23 0.09 0.00 0.00 178.44 179.43 1i11 h GLY 38 N -1.04 0.00 0.00 0.83 0.00 -0.55 2.05 103.07 104.37 1i11 h GLY 38 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1i11 h GLY 38 CO 0.17 0.00 -1.48 -1.26 0.00 0.00 0.00 176.54 173.96 1i11 n SER 39 N -2.20 0.87 -0.00 0.19 2.88 -0.55 -3.19 113.62 111.63 1i11 n SER 39 Ca -0.01 -0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.10 1i11 n SER 39 Cb 0.22 1.54 -0.14 0.00 -0.75 0.00 0.00 64.21 65.08 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 0.09 0.48 -1.46 3.08 0.86 -2.97 114.38 114.47 1i11 h ARG 40 Ca 0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1i11 h ARG 40 Cb 0.68 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1i11 h ARG 40 CO 0.00 0.76 -0.23 2.35 -1.07 0.00 0.00 179.97 181.78 1i11 h TRP 41 N 0.02 -0.60 0.00 3.04 2.91 0.25 -1.69 115.95 119.89 1i11 h TRP 41 Ca -0.30 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.70 1i11 h TRP 41 Cb 2.01 0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 30.86 1i11 h TRP 41 CO 0.03 -0.29 -0.01 -0.22 -1.03 0.00 0.00 178.44 176.92 1i11 h LYS 42 N -1.05 0.00 -0.04 2.65 3.64 -1.71 0.89 116.57 120.95 1i11 h LYS 42 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1i11 h LYS 42 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1i11 h LYS 42 CO 0.11 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1i11 n ALA 43 N -2.29 2.60 -1.50 5.00 0.00 -1.05 -4.83 120.51 118.44 1i11 n ALA 43 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1i11 n ALA 43 Cb 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1i11 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i11 n MET 44 N -0.47 1.15 -3.78 0.00 0.00 0.31 -4.99 117.12 109.33 1i11 n MET 44 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.57 1i11 n MET 44 Cb 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.24 1i11 n MET 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1i11 s THR 45 N 0.30 1.41 0.00 3.17 -4.23 -1.26 -4.99 115.64 110.03 1i11 s THR 45 Ca 0.00 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1i11 s THR 45 Cb 0.00 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1i11 s THR 45 CO 0.00 -0.76 0.00 -3.20 -0.54 0.00 0.00 174.62 170.12 1i11 n ASN 46 N 4.13 0.00 0.09 3.99 2.85 -1.26 0.41 115.26 125.47 1i11 n ASN 46 Ca 0.04 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.59 1i11 n ASN 46 Cb 0.38 0.00 0.55 0.00 1.24 0.00 0.00 39.78 41.96 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 0.21 0.00 1.20 7.12 -2.03 0.33 115.31 122.14 1i11 h LEU 47 Ca 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1i11 h LEU 47 Cb 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1i11 h LEU 47 CO 0.00 0.15 0.00 -0.62 -0.13 0.00 0.00 178.44 177.84 1i11 n GLU 48 N -4.49 0.70 0.15 1.25 1.02 1.37 -3.03 120.64 117.61 1i11 n GLU 48 Ca 0.02 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1i11 n GLU 48 Cb 0.18 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.23 1i11 n GLU 48 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1i11 h LYS 49 N 0.00 0.00 -0.68 3.49 3.64 -0.37 -3.35 116.57 119.30 1i11 h LYS 49 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1i11 h LYS 49 Cb 0.12 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1i11 h LYS 49 CO 0.00 0.00 0.36 1.96 -2.27 0.00 0.00 179.45 179.50 1i11 h GLN 50 N 0.00 0.61 -0.15 1.90 4.20 -1.61 -0.91 115.11 119.16 1i11 h GLN 50 Ca 0.00 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1i11 h GLN 50 Cb 0.95 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1i11 h GLN 50 CO 0.00 0.41 -0.56 -1.00 -0.67 0.00 0.00 178.83 177.01 1i11 h PRO 51 N 0.63 0.63 0.00 1.46 0.13 -1.82 -2.11 132.00 130.92 1i11 h PRO 51 Ca 0.32 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1i11 h PRO 51 Cb 0.28 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1i11 h PRO 51 CO -0.23 1.11 0.00 0.66 -0.23 0.00 0.00 178.00 179.31 1i11 n TYR 52 N -4.15 0.35 -0.05 1.56 4.01 -1.09 -0.62 117.16 117.18 1i11 n TYR 52 Ca -0.07 0.15 -0.01 0.00 -0.16 0.00 0.00 57.90 57.80 1i11 n TYR 52 Cb 0.63 -0.73 -0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.00 -0.72 0.05 -0.76 -3.18 116.97 112.37 1i11 h TYR 53 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i11 h TYR 53 Cb 0.25 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 1i11 h TYR 53 CO 0.00 0.00 -0.01 1.05 -1.05 0.00 0.00 178.16 178.15 1i11 h GLU 54 N -0.89 0.00 0.00 4.88 4.11 -1.29 0.42 114.58 121.81 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 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1i11 h GLU 54 CO 0.00 0.01 0.00 0.93 0.07 0.00 0.00 179.01 180.02 1i11 h GLU 55 N 0.00 0.00 0.03 1.06 5.08 -0.96 -2.29 114.58 117.51 1i11 h GLU 55 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i11 h GLU 55 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1i11 h GLU 55 CO 0.00 0.00 -0.01 -0.56 -1.00 0.00 0.00 179.01 177.44 1i11 h GLN 56 N 0.00 -0.04 -0.91 2.33 3.07 -0.12 -2.98 115.11 116.46 1i11 h GLN 56 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 58.65 59.00 1i11 h GLN 56 Cb 0.23 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.76 1i11 h GLN 56 CO 0.00 0.65 0.65 0.00 0.09 0.00 0.00 178.83 180.23 1i11 h ALA 57 N -0.02 2.84 -0.36 0.06 0.00 -1.37 0.53 119.26 120.93 1i11 h ALA 57 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1i11 h ALA 57 Cb 0.71 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1i11 h ALA 57 CO 0.01 -1.10 -0.38 0.00 0.00 0.00 0.00 179.25 177.78 1i11 h ARG 58 N 0.02 0.90 -0.20 0.00 3.08 -1.40 -2.42 114.38 114.36 1i11 h ARG 58 Ca 0.43 -0.48 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1i11 h ARG 58 Cb 1.72 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 1i11 h ARG 58 CO -0.01 1.13 0.23 -0.07 -1.07 0.00 0.00 179.97 180.17 1i11 h LEU 59 N 0.71 0.00 -0.24 3.04 3.38 0.21 0.64 115.31 123.05 1i11 h LEU 59 Ca 0.05 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1i11 h LEU 59 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1i11 h LEU 59 CO 0.09 0.00 -0.90 0.77 0.09 0.00 0.00 178.44 178.49 1i11 h SER 60 N 0.00 0.37 0.26 -0.43 4.64 -1.19 0.21 113.55 117.40 1i11 h SER 60 Ca 0.09 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1i11 h SER 60 Cb 0.54 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1i11 h SER 60 CO -0.00 1.10 -0.12 0.50 -0.87 0.00 0.00 176.83 177.44 1i11 h LYS 61 N 0.16 -0.33 0.00 4.77 3.11 0.37 -2.38 116.57 122.27 1i11 h LYS 61 Ca -0.06 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1i11 h LYS 61 Cb 1.53 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.84 1i11 h LYS 61 CO 0.15 -0.05 0.00 0.00 -2.81 0.00 0.00 179.45 176.74 1i11 n GLN 62 N -5.13 0.13 0.08 1.90 10.64 -0.22 -3.02 117.38 121.76 1i11 n GLN 62 Ca -0.09 0.29 -0.03 0.00 -1.83 0.00 0.00 57.00 55.33 1i11 n GLN 62 Cb 0.23 -1.71 -0.02 0.00 -0.86 0.00 0.00 30.24 27.89 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 0.00 -0.20 -0.38 2.61 2.76 -0.05 -3.05 115.15 116.85 1i11 h HIS 63 Ca 0.00 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.27 1i11 h HIS 63 Cb 0.41 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 1i11 h HIS 63 CO 0.00 -0.12 0.28 -0.07 -1.30 0.00 0.00 177.93 176.71 1i11 h LEU 64 N -0.26 0.00 -2.03 0.26 3.38 -1.57 0.38 115.31 115.47 1i11 h LEU 64 Ca -0.02 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.08 1i11 h LEU 64 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1i11 h LEU 64 CO 0.04 0.00 0.40 1.05 0.09 0.00 0.00 178.44 180.01 1i11 h GLU 65 N 0.00 0.00 0.08 1.13 -0.00 -1.44 0.76 114.58 115.11 1i11 h GLU 65 Ca 0.18 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 59.17 1i11 h GLU 65 Cb 0.73 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.44 1i11 h GLU 65 CO -0.00 0.00 -2.16 1.63 -0.00 0.00 0.00 179.01 178.48 1i11 n LYS 66 N -3.99 0.72 -3.77 1.06 5.02 0.12 -4.64 118.16 112.68 1i11 n LYS 66 Ca 0.08 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 1i11 n LYS 66 Cb 0.59 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.85 1i11 n LYS 66 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i11 n TYR 67 N -3.44 2.83 0.00 2.13 4.01 -0.16 -4.95 117.16 117.59 1i11 n TYR 67 Ca -0.37 -4.18 0.00 0.00 -0.16 0.00 0.00 57.90 53.19 1i11 n TYR 67 Cb 1.02 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1i11 n TYR 67 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1i11 n PRO 68 N 1.88 0.00 -0.11 -0.72 -0.04 0.08 -4.03 135.00 132.07 1i11 n PRO 68 Ca 0.22 0.40 -0.02 0.00 -0.04 0.00 0.00 63.50 64.06 1i11 n PRO 68 Cb 0.37 -0.97 0.02 0.00 -0.04 0.00 0.00 33.50 32.88 1i11 n PRO 68 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 69 N -1.69 2.89 0.00 3.54 -0.08 -1.26 -5.06 116.55 114.88 1i11 n ASP 69 Ca 0.00 -2.14 0.03 0.00 -1.51 0.00 0.00 54.79 51.17 1i11 n ASP 69 Cb 0.00 -0.53 0.17 0.00 2.34 0.00 0.00 41.12 43.10 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32