#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 3.42 -3.31 0.54 1.44 -1.26 -4.89 115.22 111.17 1i11 n HIS 2 Ca 0.00 -3.28 -0.27 0.00 -2.01 0.00 0.00 57.72 52.16 1i11 n HIS 2 Cb 0.00 -0.17 -0.07 0.00 0.12 0.00 0.00 29.99 29.86 1i11 n HIS 2 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1i11 n ILE 3 N -0.41 2.20 -1.74 0.61 -5.35 -1.26 -4.98 119.36 108.43 1i11 n ILE 3 Ca 0.36 -5.18 -0.41 0.00 -0.27 0.00 0.00 62.75 57.25 1i11 n ILE 3 Cb 0.61 -1.92 -0.02 0.00 -1.74 0.00 0.00 39.64 36.57 1i11 n ILE 3 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1i11 n LYS 4 N 0.67 2.43 -4.24 6.28 3.00 -1.26 -4.89 118.16 120.15 1i11 n LYS 4 Ca 0.29 -2.49 -0.25 0.00 -0.00 0.00 0.00 58.31 55.86 1i11 n LYS 4 Cb 0.42 -3.26 -0.08 0.00 0.00 0.00 0.00 35.03 32.11 1i11 n LYS 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1i11 s ARG 5 N 4.15 2.16 -1.16 1.64 1.81 -1.26 -5.02 118.95 121.27 1i11 s ARG 5 Ca 0.53 -1.89 -0.22 0.00 -1.72 0.00 0.00 55.73 52.43 1i11 s ARG 5 Cb 0.11 -1.91 -0.05 0.00 -0.45 0.00 0.00 34.95 32.65 1i11 s ARG 5 CO 0.02 -0.08 1.89 -1.25 -0.68 0.00 0.00 175.30 175.19 1i11 s PRO 6 N -3.85 2.78 -0.01 3.54 0.04 -1.26 -4.62 135.00 131.62 1i11 s PRO 6 Ca 0.39 -1.19 0.20 0.00 0.04 0.00 0.00 61.00 60.45 1i11 s PRO 6 Cb 0.05 -5.27 0.60 0.00 0.04 0.00 0.00 34.50 29.91 1i11 s PRO 6 CO 0.21 -3.58 1.50 -1.33 0.04 0.00 0.00 177.00 173.85 1i11 n MET 7 N 8.39 2.60 -4.68 4.56 2.81 -1.26 -4.84 117.12 124.71 1i11 n MET 7 Ca 0.44 -2.43 -0.31 0.00 -1.81 0.00 0.00 57.70 53.60 1i11 n MET 7 Cb 0.47 -1.54 -0.13 0.00 -0.71 0.00 0.00 33.22 31.31 1i11 n MET 7 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1i11 s ASN 8 N -0.99 3.88 0.34 7.83 4.22 -1.26 -4.82 114.94 124.14 1i11 s ASN 8 Ca 0.45 -0.38 0.25 0.00 -2.14 0.00 0.00 52.86 51.04 1i11 s ASN 8 Cb 0.24 -0.67 1.23 0.00 1.28 0.00 0.00 41.25 43.32 1i11 s ASN 8 CO 0.30 0.27 1.75 0.00 -2.04 0.00 0.00 177.10 177.38 1i11 h ALA 9 N 4.63 1.00 0.18 3.54 0.00 -1.85 -2.98 119.26 123.79 1i11 h ALA 9 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1i11 h ALA 9 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i11 h ALA 9 CO 0.48 0.00 -0.09 0.35 0.00 0.00 0.00 179.25 180.00 1i11 h PHE 10 N 0.00 -0.23 0.00 0.00 3.57 -1.94 2.72 116.94 121.06 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 0.15 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1i11 h PHE 10 CO 0.00 -0.14 0.02 0.52 -2.23 0.00 0.00 178.31 176.48 1i11 h MET 11 N -0.30 0.00 0.04 1.11 2.86 -1.93 2.70 114.93 119.40 1i11 h MET 11 Ca -0.03 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1i11 h MET 11 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1i11 h MET 11 CO 0.04 0.00 -0.37 0.28 1.06 0.00 0.00 176.91 177.92 1i11 h VAL 12 N 0.00 1.62 0.04 -2.22 2.07 -1.28 -2.44 116.25 114.05 1i11 h VAL 12 Ca 0.00 -2.39 -0.24 0.00 0.82 0.00 0.00 66.70 64.89 1i11 h VAL 12 Cb 0.05 3.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1i11 h VAL 12 CO 0.00 0.62 -1.17 -0.25 0.02 0.00 0.00 177.57 176.79 1i11 h TRP 13 N -0.81 0.17 0.00 1.57 7.01 0.64 -3.22 115.95 121.30 1i11 h TRP 13 Ca -0.08 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.80 1i11 h TRP 13 Cb 1.22 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1i11 h TRP 13 CO 0.24 1.11 0.00 0.00 -2.79 0.00 0.00 178.44 176.99 1i11 h ALA 14 N 0.85 1.00 -0.06 2.65 0.00 0.45 -1.65 119.26 122.51 1i11 h ALA 14 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1i11 h ALA 14 Cb 1.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1i11 h ALA 14 CO 0.15 0.00 -0.26 1.57 0.00 0.00 0.00 179.25 180.71 1i11 h LYS 15 N 0.00 0.10 0.06 0.00 5.09 -1.44 1.52 116.57 121.90 1i11 h LYS 15 Ca 0.00 -0.03 -0.34 0.00 0.09 0.00 0.00 60.65 60.37 1i11 h LYS 15 Cb 0.62 -0.01 -0.04 0.00 0.10 0.00 0.00 32.23 32.91 1i11 h LYS 15 CO 0.00 0.36 -1.94 -3.47 -2.09 0.00 0.00 179.45 172.31 1i11 n ASP 16 N -4.19 1.48 0.04 7.07 -0.08 -1.09 -2.01 116.55 117.76 1i11 n ASP 16 Ca -0.02 0.26 -0.01 0.00 -1.51 0.00 0.00 54.79 53.52 1i11 n ASP 16 Cb 0.34 -0.39 0.29 0.00 2.34 0.00 0.00 41.12 43.69 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 0.43 0.13 -0.67 5.08 -0.92 1.66 114.58 120.33 1i11 h GLU 17 Ca -0.39 -0.12 -0.29 0.00 -1.00 0.00 0.00 59.36 57.57 1i11 h GLU 17 Cb 2.03 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 31.25 1i11 h GLU 17 CO 0.07 0.55 -1.25 0.07 -1.00 0.00 0.00 179.01 177.46 1i11 h ARG 18 N 0.40 0.47 -0.49 2.33 0.11 0.20 -1.74 114.38 115.66 1i11 h ARG 18 Ca 0.08 -0.68 -0.12 0.00 0.10 0.00 0.00 59.98 59.36 1i11 h ARG 18 Cb 0.46 0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 1i11 h ARG 18 CO 0.03 1.30 -0.14 0.00 0.10 0.00 0.00 179.97 181.26 1i11 h ARG 19 N 0.18 0.97 0.00 0.08 3.08 -0.75 2.37 114.38 120.31 1i11 h ARG 19 Ca -0.17 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1i11 h ARG 19 Cb 1.93 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.93 1i11 h ARG 19 CO 0.22 1.05 0.00 1.57 -1.07 0.00 0.00 179.97 181.75 1i11 h LYS 20 N 0.82 0.00 0.00 0.04 5.09 0.24 -2.73 116.57 120.04 1i11 h LYS 20 Ca 0.12 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.52 1i11 h LYS 20 Cb 0.71 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.99 1i11 h LYS 20 CO 0.05 0.00 -2.00 -0.89 -2.09 0.00 0.00 179.45 174.53 1i11 n ILE 21 N -2.57 1.52 -0.29 0.07 5.41 -0.66 -4.21 119.36 118.64 1i11 n ILE 21 Ca 0.03 -0.22 0.34 0.00 1.00 0.00 0.00 62.75 63.89 1i11 n ILE 21 Cb 0.32 -1.99 0.73 0.00 -0.71 0.00 0.00 39.64 38.00 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 -1.00 0.00 -0.86 1.39 5.85 0.40 2.16 115.31 123.24 1i11 h LEU 22 Ca -0.52 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1i11 h LEU 22 Cb 1.43 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1i11 h LEU 22 CO -0.32 0.00 0.21 0.06 -0.34 0.00 0.00 178.44 178.05 1i11 h GLN 23 N 0.00 1.05 0.00 1.25 3.07 -1.65 0.88 115.11 119.70 1i11 h GLN 23 Ca 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1i11 h GLN 23 Cb 2.26 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 29.66 1i11 h GLN 23 CO -0.01 0.90 -0.47 0.00 0.09 0.00 0.00 178.83 179.35 1i11 h ALA 24 N 1.21 0.74 -0.47 0.06 0.00 0.31 -3.41 119.26 117.70 1i11 h ALA 24 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 1i11 h ALA 24 Cb 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 1i11 h ALA 24 CO -0.01 0.00 -0.54 1.19 0.00 0.00 0.00 179.25 179.90 1i11 n PHE 25 N -2.63 -3.28 0.63 0.00 3.72 0.12 -4.96 117.46 111.05 1i11 n PHE 25 Ca 0.03 -1.78 0.07 0.00 -0.05 0.00 0.00 57.45 55.72 1i11 n PHE 25 Cb 0.50 1.40 0.35 0.00 -0.94 0.00 0.00 39.48 40.80 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 2.06 0.14 -0.06 -1.08 -0.04 0.29 -2.15 135.00 134.16 1i11 n PRO 26 Ca 0.13 0.18 -0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1i11 n PRO 26 Cb 0.60 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.36 1.13 0.07 3.54 2.03 -1.26 -4.25 116.55 116.44 1i11 n ASP 27 Ca 0.06 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.42 1i11 n ASP 27 Cb 0.14 1.15 0.28 0.00 -0.72 0.00 0.00 41.12 41.96 1i11 n ASP 27 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1i11 n MET 28 N -2.44 0.06 -0.36 -0.67 0.00 -0.91 -2.59 117.12 110.22 1i11 n MET 28 Ca -0.19 0.51 0.07 0.00 -0.00 0.00 0.00 57.70 58.09 1i11 n MET 28 Cb 0.84 -1.69 0.24 0.00 0.00 0.00 0.00 33.22 32.62 1i11 n MET 28 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1i11 h HIS 29 N 0.00 1.14 0.00 1.12 2.07 -1.74 -3.05 115.15 114.69 1i11 h HIS 29 Ca 0.00 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1i11 h HIS 29 Cb 0.06 -0.36 -0.00 0.00 2.57 0.00 0.00 27.41 29.68 1i11 h HIS 29 CO 0.00 0.46 0.09 0.09 -3.07 0.00 0.00 177.93 175.50 1i11 n ASN 30 N -4.60 -0.15 -2.87 3.10 4.13 -1.07 0.24 115.26 114.04 1i11 n ASN 30 Ca 0.18 -0.10 -0.10 0.00 1.68 0.00 0.00 54.58 56.25 1i11 n ASN 30 Cb 0.34 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.52 1i11 n ASN 30 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1i11 n SER 31 N 0.36 -1.13 -0.02 6.41 2.88 -1.26 -4.65 113.62 116.20 1i11 n SER 31 Ca 0.01 0.06 -0.06 0.00 -1.33 0.00 0.00 58.87 57.54 1i11 n SER 31 Cb 0.03 -1.08 -0.02 0.00 -0.75 0.00 0.00 64.21 62.39 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 -1.62 0.76 -0.31 -3.46 3.02 0.64 -4.67 115.26 109.62 1i11 n ASN 32 Ca 0.03 0.12 0.21 0.00 -0.03 0.00 0.00 54.58 54.90 1i11 n ASN 32 Cb 0.46 -0.28 0.49 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.27 0.58 -0.78 2.41 1.08 -1.41 0.29 117.51 119.42 1i11 h ILE 33 Ca -0.14 -0.15 0.12 0.00 -0.39 0.00 0.00 64.86 64.31 1i11 h ILE 33 Cb 0.91 0.10 -0.09 0.00 -3.07 0.00 0.00 36.82 34.68 1i11 h ILE 33 CO -0.08 0.08 0.38 0.28 -0.69 0.00 0.00 178.15 178.12 1i11 h SER 34 N 0.44 0.46 0.87 1.72 0.02 -1.83 0.91 113.55 116.13 1i11 h SER 34 Ca 0.56 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.53 1i11 h SER 34 Cb 1.36 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1i11 h SER 34 CO -0.28 0.22 -0.32 0.11 -1.14 0.00 0.00 176.83 175.42 1i11 h LYS 35 N 0.59 0.00 0.26 3.45 1.79 -0.72 -1.33 116.57 120.61 1i11 h LYS 35 Ca 0.41 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.87 1i11 h LYS 35 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1i11 h LYS 35 CO -0.33 0.32 -0.13 0.82 -1.08 0.00 0.00 179.45 179.05 1i11 h ILE 36 N 0.00 0.63 0.43 1.86 5.03 0.12 -1.36 117.51 124.22 1i11 h ILE 36 Ca -0.00 -0.85 -0.01 0.00 -0.12 0.00 0.00 64.86 63.87 1i11 h ILE 36 Cb 0.84 1.01 -0.03 0.00 -3.03 0.00 0.00 36.82 35.61 1i11 h ILE 36 CO 0.04 0.14 -0.49 -0.07 -0.68 0.00 0.00 178.15 177.10 1i11 h LEU 37 N -0.89 -1.36 -1.04 1.44 3.38 0.46 1.28 115.31 118.58 1i11 h LEU 37 Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1i11 h LEU 37 Cb 0.51 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1i11 h LEU 37 CO 0.06 -0.63 0.14 0.61 0.09 0.00 0.00 178.44 178.71 1i11 n GLY 38 N -1.54 -0.71 0.01 0.83 0.00 -0.51 0.22 105.19 103.50 1i11 n GLY 38 Ca -0.11 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.07 0.22 -0.00 1.61 7.64 0.82 -3.17 113.62 118.65 1i11 n SER 39 Ca -0.01 -0.16 -0.10 0.00 1.01 0.00 0.00 58.87 59.60 1i11 n SER 39 Cb 0.16 1.74 -0.14 0.00 -1.01 0.00 0.00 64.21 64.97 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 0.84 1.43 2.47 1.17 -2.94 114.38 117.39 1i11 h ARG 40 Ca 0.00 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 1i11 h ARG 40 Cb 0.91 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1i11 h ARG 40 CO 0.00 0.68 -0.40 2.35 0.56 0.00 0.00 179.97 183.15 1i11 h TRP 41 N 0.01 -1.04 0.00 3.04 2.91 0.26 0.22 115.95 121.35 1i11 h TRP 41 Ca -0.26 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.74 1i11 h TRP 41 Cb 1.98 0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 30.98 1i11 h TRP 41 CO 0.01 -0.65 -0.01 0.87 -1.03 0.00 0.00 178.44 177.63 1i11 h LYS 42 N -1.30 0.00 -0.00 2.65 1.57 -1.70 0.63 116.57 118.42 1i11 h LYS 42 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1i11 h LYS 42 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1i11 h LYS 42 CO 0.19 0.01 -0.13 0.00 -0.57 0.00 0.00 179.45 178.94 1i11 n ALA 43 N -2.15 2.68 -1.00 3.86 0.00 -0.77 -4.83 120.51 118.30 1i11 n ALA 43 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1i11 n ALA 43 Cb 0.10 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.43 0.81 -3.87 0.00 0.00 0.22 -5.01 117.12 107.83 1i11 n MET 44 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.47 1i11 n MET 44 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.40 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 -0.19 1.62 0.10 3.17 -4.23 -1.26 -4.98 115.64 109.87 1i11 s THR 45 Ca 0.00 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1i11 s THR 45 Cb 0.00 -2.20 0.10 0.00 1.34 0.00 0.00 72.50 71.74 1i11 s THR 45 CO 0.00 -0.66 0.43 -3.20 -0.54 0.00 0.00 174.62 170.64 1i11 n ASN 46 N 4.42 0.09 0.25 3.99 2.85 -1.26 0.43 115.26 126.03 1i11 n ASN 46 Ca 0.02 0.44 0.12 0.00 -0.11 0.00 0.00 54.58 55.05 1i11 n ASN 46 Cb 0.41 -0.22 0.74 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 0.00 -0.25 1.20 6.46 -2.02 0.41 115.31 121.11 1i11 h LEU 47 Ca 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1i11 h LEU 47 Cb 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1i11 h LEU 47 CO -0.20 0.00 -0.07 1.21 -0.62 0.00 0.00 178.44 178.75 1i11 n GLU 48 N -4.26 0.80 0.04 1.25 4.07 1.49 -3.59 120.64 120.44 1i11 n GLU 48 Ca -0.02 -0.25 0.13 0.00 -0.06 0.00 0.00 57.16 56.96 1i11 n GLU 48 Cb 0.14 -1.49 0.33 0.00 -0.06 0.00 0.00 31.44 30.35 1i11 n GLU 48 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1i11 n LYS 49 N -0.88 0.15 -0.25 5.31 0.00 0.14 -4.04 118.16 118.59 1i11 n LYS 49 Ca 0.16 0.07 -0.05 0.00 0.00 0.00 0.00 58.31 58.49 1i11 n LYS 49 Cb 0.26 -1.62 0.05 0.00 0.00 0.00 0.00 35.03 33.72 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1i11 h GLN 50 N 0.00 0.95 -0.01 1.64 4.20 -1.63 -1.49 115.11 118.75 1i11 h GLN 50 Ca 0.00 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1i11 h GLN 50 Cb 0.63 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1i11 h GLN 50 CO 0.00 0.66 -0.14 -1.00 -0.67 0.00 0.00 178.83 177.68 1i11 h PRO 51 N 0.95 0.12 0.00 1.46 0.13 -1.85 -2.87 132.00 129.94 1i11 h PRO 51 Ca 0.25 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1i11 h PRO 51 Cb -0.05 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1i11 h PRO 51 CO -0.05 0.82 0.00 0.66 -0.23 0.00 0.00 178.00 179.20 1i11 n TYR 52 N -4.61 0.36 0.04 1.56 4.01 -1.22 -2.72 117.16 114.60 1i11 n TYR 52 Ca -0.09 0.17 -0.03 0.00 -0.16 0.00 0.00 57.90 57.79 1i11 n TYR 52 Cb 0.43 -0.77 -0.01 0.00 -0.31 0.00 0.00 39.34 38.67 1i11 n TYR 52 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1i11 h TYR 53 N 0.00 -0.18 -0.84 -0.72 3.20 -1.05 -3.21 116.97 114.16 1i11 h TYR 53 Ca 0.00 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.11 1i11 h TYR 53 Cb 0.12 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1i11 h TYR 53 CO 0.00 -0.11 0.73 1.05 -1.64 0.00 0.00 178.16 178.18 1i11 h GLU 54 N -0.87 0.00 0.00 1.82 4.11 -1.37 2.00 114.58 120.27 1i11 h GLU 54 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1i11 h GLU 54 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1i11 h GLU 54 CO 0.03 0.00 -0.04 0.93 0.07 0.00 0.00 179.01 180.00 1i11 h GLU 55 N 0.00 0.00 0.12 1.06 4.39 -1.53 -0.39 114.58 118.23 1i11 h GLU 55 Ca 0.40 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.82 1i11 h GLU 55 Cb 1.85 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.51 1i11 h GLU 55 CO -0.00 0.04 -1.21 -0.56 -1.16 0.00 0.00 179.01 176.11 1i11 h GLN 56 N 0.00 0.37 -0.62 2.33 -0.00 0.32 -3.05 115.11 114.46 1i11 h GLN 56 Ca -0.00 -0.56 0.12 0.00 -0.00 0.00 0.00 58.65 58.20 1i11 h GLN 56 Cb 0.14 0.20 -0.04 0.00 -0.00 0.00 0.00 27.48 27.78 1i11 h GLN 56 CO 0.01 1.24 0.42 0.00 -0.00 0.00 0.00 178.83 180.50 1i11 h ALA 57 N 0.53 2.11 -0.35 0.06 0.00 -0.92 0.30 119.26 120.98 1i11 h ALA 57 Ca -0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1i11 h ALA 57 Cb 1.91 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1i11 h ALA 57 CO 0.21 -0.26 -0.44 0.00 0.00 0.00 0.00 179.25 178.76 1i11 h ARG 58 N 0.35 0.91 0.00 0.00 3.08 -1.38 -2.23 114.38 115.11 1i11 h ARG 58 Ca 0.29 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1i11 h ARG 58 Cb 0.68 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1i11 h ARG 58 CO -0.08 1.16 0.00 -0.07 -1.07 0.00 0.00 179.97 179.91 1i11 h LEU 59 N 0.73 0.00 0.18 3.04 3.38 -0.46 -2.29 115.31 119.89 1i11 h LEU 59 Ca 0.05 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 1i11 h LEU 59 Cb 1.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.81 1i11 h LEU 59 CO 0.10 0.00 -1.35 0.28 0.09 0.00 0.00 178.44 177.56 1i11 h SER 60 N 0.00 0.72 -0.15 -0.43 0.02 -0.30 -0.19 113.55 113.22 1i11 h SER 60 Ca 0.00 -0.75 -0.14 0.00 -0.84 0.00 0.00 61.79 60.06 1i11 h SER 60 Cb 0.37 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1i11 h SER 60 CO 0.00 1.57 -0.46 0.50 -1.14 0.00 0.00 176.83 177.31 1i11 h LYS 61 N 0.15 0.57 -0.03 3.45 1.63 -1.25 -3.00 116.57 118.10 1i11 h LYS 61 Ca -0.20 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.15 1i11 h LYS 61 Cb 2.05 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.75 1i11 h LYS 61 CO 0.25 1.04 -0.07 1.96 -3.45 0.00 0.00 179.45 179.17 1i11 h GLN 62 N 0.22 0.11 0.00 1.90 4.20 -1.52 -2.57 115.11 117.46 1i11 h GLN 62 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1i11 h GLN 62 Cb 1.08 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1i11 h GLN 62 CO 0.10 0.65 0.00 1.58 -0.67 0.00 0.00 178.83 180.49 1i11 n HIS 63 N -4.71 0.00 -0.34 2.96 -0.00 -0.08 -0.37 115.22 112.67 1i11 n HIS 63 Ca -0.08 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.28 1i11 n HIS 63 Cb 0.33 -0.49 0.39 0.00 -0.12 0.00 0.00 29.99 30.10 1i11 n HIS 63 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1i11 h LEU 64 N 0.00 0.60 -0.23 0.27 3.38 -1.64 2.26 115.31 119.95 1i11 h LEU 64 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i11 h LEU 64 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1i11 h LEU 64 CO 0.00 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 1i11 n GLU 65 N -4.93 0.04 0.03 1.13 1.02 0.50 -2.13 120.64 116.28 1i11 n GLU 65 Ca 0.27 0.42 -0.22 0.00 -0.02 0.00 0.00 57.16 57.61 1i11 n GLU 65 Cb 0.77 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.30 -3.46 3.49 1.57 0.63 -3.41 116.57 115.70 1i11 h LYS 66 Ca 0.00 -0.52 -0.70 0.00 -1.87 0.00 0.00 60.65 57.56 1i11 h LYS 66 Cb 0.12 0.19 -0.35 0.00 0.08 0.00 0.00 32.23 32.27 1i11 h LYS 66 CO 0.00 1.25 -0.26 0.71 -0.57 0.00 0.00 179.45 180.58 1i11 s TYR 67 N -2.56 3.59 0.00 -1.35 2.02 -0.91 -4.93 117.35 113.22 1i11 s TYR 67 Ca -0.20 -2.84 0.00 0.00 -0.37 0.00 0.00 57.07 53.65 1i11 s TYR 67 Cb 0.06 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 1i11 s TYR 67 CO 0.79 -0.79 0.07 -0.35 -1.57 0.00 0.00 175.55 173.70 1i11 n PRO 68 N 3.00 0.00 -1.04 -1.71 -0.04 -1.25 -4.25 135.00 129.70 1i11 n PRO 68 Ca 0.14 0.26 -0.18 0.00 -0.04 0.00 0.00 63.50 63.67 1i11 n PRO 68 Cb 0.38 -0.81 -0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1i11 n PRO 68 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i11 n ASP 69 N -1.27 6.35 0.00 3.54 8.00 -1.26 -5.14 116.55 126.76 1i11 n ASP 69 Ca 0.00 -3.04 0.01 0.00 0.71 0.00 0.00 54.79 52.48 1i11 n ASP 69 Cb 0.00 -1.13 0.08 0.00 -0.02 0.00 0.00 41.12 40.05 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81