#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i11 s HIS 2 N 0.00 -1.21 -0.86 0.54 3.76 -1.26 -4.79 115.29 111.47 1i11 s HIS 2 Ca 0.00 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 1i11 s HIS 2 Cb 0.00 -0.00 0.31 0.00 1.11 0.00 0.00 32.58 34.00 1i11 s HIS 2 CO 0.00 -1.05 1.36 0.44 -0.85 0.00 0.00 174.74 174.64 1i11 n ILE 3 N 4.94 4.59 -0.84 0.60 -5.35 -1.26 -4.85 119.36 117.19 1i11 n ILE 3 Ca 0.06 -5.76 -0.12 0.00 -0.27 0.00 0.00 62.75 56.66 1i11 n ILE 3 Cb 0.51 -1.71 -0.00 0.00 -1.74 0.00 0.00 39.64 36.70 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 0.32 1.63 -0.11 6.28 4.81 -1.26 -4.26 118.16 125.56 1i11 n LYS 4 Ca 0.36 -1.10 -0.21 0.00 -0.87 0.00 0.00 58.31 56.49 1i11 n LYS 4 Cb 0.33 -1.51 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 1i11 n LYS 4 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1i11 n ARG 5 N 0.97 0.56 -2.54 1.64 0.63 -1.26 -4.78 116.66 111.87 1i11 n ARG 5 Ca 0.24 0.35 -0.41 0.00 -0.92 0.00 0.00 57.85 57.11 1i11 n ARG 5 Cb 0.58 -1.56 -0.03 0.00 0.45 0.00 0.00 32.46 31.90 1i11 n ARG 5 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1i11 s PRO 6 N -2.53 3.45 -0.04 -0.14 0.04 -1.26 -4.68 135.00 129.84 1i11 s PRO 6 Ca -0.32 -0.86 0.17 0.00 0.04 0.00 0.00 61.00 60.03 1i11 s PRO 6 Cb 0.09 -5.05 -0.26 0.00 0.04 0.00 0.00 34.50 29.32 1i11 s PRO 6 CO 0.47 -2.24 0.33 -1.33 0.04 0.00 0.00 177.00 174.28 1i11 n MET 7 N 9.01 0.63 -4.41 4.56 2.81 -1.26 -4.68 117.12 123.79 1i11 n MET 7 Ca 0.26 -0.14 -0.20 0.00 -1.81 0.00 0.00 57.70 55.81 1i11 n MET 7 Cb 0.50 -1.41 -0.10 0.00 -0.71 0.00 0.00 33.22 31.50 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 -4.11 2.63 0.46 7.83 2.20 -1.26 -4.72 114.94 117.97 1i11 s ASN 8 Ca -0.06 -1.17 0.22 0.00 -0.94 0.00 0.00 52.86 50.90 1i11 s ASN 8 Cb 0.10 -0.14 1.14 0.00 -2.00 0.00 0.00 41.25 40.35 1i11 s ASN 8 CO 0.71 -0.34 1.97 0.00 -2.94 0.00 0.00 177.10 176.49 1i11 h ALA 9 N 2.33 1.32 0.43 3.54 0.00 -1.85 -0.36 119.26 124.68 1i11 h ALA 9 Ca -0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1i11 h ALA 9 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1i11 h ALA 9 CO 0.66 0.26 -0.21 0.35 0.00 0.00 0.00 179.25 180.31 1i11 h PHE 10 N 0.00 -0.54 0.00 0.00 3.57 -1.95 2.15 116.94 120.17 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 0.47 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1i11 h PHE 10 CO 0.00 -0.34 0.00 0.52 -2.23 0.00 0.00 178.31 176.26 1i11 h MET 11 N -1.03 0.00 0.07 1.11 2.86 -1.91 2.62 114.93 118.65 1i11 h MET 11 Ca -0.06 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 1i11 h MET 11 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1i11 h MET 11 CO 0.10 0.00 -0.73 0.28 1.06 0.00 0.00 176.91 177.62 1i11 h VAL 12 N 0.00 1.43 0.09 -2.22 2.07 -0.69 -2.35 116.25 114.58 1i11 h VAL 12 Ca 0.00 -2.40 -0.26 0.00 0.82 0.00 0.00 66.70 64.86 1i11 h VAL 12 Cb 0.09 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1i11 h VAL 12 CO 0.00 0.63 -1.23 -0.25 0.02 0.00 0.00 177.57 176.73 1i11 h TRP 13 N -0.65 0.35 0.00 1.57 7.01 0.49 -3.27 115.95 121.45 1i11 h TRP 13 Ca -0.16 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1i11 h TRP 13 Cb 1.41 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 1i11 h TRP 13 CO 0.20 1.22 0.00 0.00 -2.79 0.00 0.00 178.44 177.06 1i11 h ALA 14 N 0.68 1.00 0.00 2.65 0.00 0.44 -0.93 119.26 123.11 1i11 h ALA 14 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1i11 h ALA 14 Cb 1.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1i11 h ALA 14 CO 0.18 0.00 -0.26 1.57 0.00 0.00 0.00 179.25 180.73 1i11 h LYS 15 N 0.00 0.00 0.07 0.00 2.10 -1.47 1.34 116.57 118.61 1i11 h LYS 15 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1i11 h LYS 15 Cb 0.70 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.00 1i11 h LYS 15 CO 0.00 0.26 -2.02 -0.25 -2.00 0.00 0.00 179.45 175.44 1i11 n ASP 16 N -3.76 2.04 -0.06 7.07 9.92 -1.11 -1.96 116.55 128.68 1i11 n ASP 16 Ca -0.01 0.18 0.03 0.00 -0.53 0.00 0.00 54.79 54.46 1i11 n ASP 16 Cb 0.36 -0.78 0.38 0.00 -0.64 0.00 0.00 41.12 40.44 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1i11 h GLU 17 N -0.21 0.66 0.08 -1.24 4.22 -0.91 2.00 114.58 119.17 1i11 h GLU 17 Ca -0.47 -0.04 -0.26 0.00 0.08 0.00 0.00 59.36 58.67 1i11 h GLU 17 Cb 1.85 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.96 1i11 h GLU 17 CO -0.04 0.43 -1.12 0.07 -2.18 0.00 0.00 179.01 176.17 1i11 h ARG 18 N 0.68 0.41 -0.41 1.92 -0.00 0.16 -1.13 114.38 116.01 1i11 h ARG 18 Ca 0.19 -0.55 -0.09 0.00 -0.00 0.00 0.00 59.98 59.53 1i11 h ARG 18 Cb -0.05 0.18 -0.02 0.00 -0.00 0.00 0.00 29.97 30.08 1i11 h ARG 18 CO -0.04 1.21 -0.13 0.00 -0.00 0.00 0.00 179.97 181.01 1i11 h ARG 19 N 0.19 0.74 0.00 0.08 2.47 -0.44 2.18 114.38 119.61 1i11 h ARG 19 Ca -0.13 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.32 1i11 h ARG 19 Cb 1.80 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 30.05 1i11 h ARG 19 CO 0.20 0.84 -0.08 -0.22 0.56 0.00 0.00 179.97 181.26 1i11 h LYS 20 N 0.67 0.00 0.00 0.04 3.64 0.33 -2.47 116.57 118.78 1i11 h LYS 20 Ca 0.11 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.08 1i11 h LYS 20 Cb 0.60 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1i11 h LYS 20 CO 0.04 0.08 -2.26 -0.89 -2.27 0.00 0.00 179.45 174.15 1i11 n ILE 21 N -3.21 1.54 -0.13 2.00 5.41 -0.44 -4.18 119.36 120.34 1i11 n ILE 21 Ca 0.01 -0.34 0.27 0.00 1.00 0.00 0.00 62.75 63.69 1i11 n ILE 21 Cb 0.36 -1.87 0.72 0.00 -0.71 0.00 0.00 39.64 38.14 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 -0.87 0.00 -1.01 1.39 5.85 0.35 2.24 115.31 123.26 1i11 h LEU 22 Ca -0.61 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.06 1i11 h LEU 22 Cb 1.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.60 1i11 h LEU 22 CO -0.34 0.00 0.15 0.06 -0.34 0.00 0.00 178.44 177.97 1i11 h GLN 23 N 0.00 0.86 0.00 1.25 3.07 -1.61 0.53 115.11 119.21 1i11 h GLN 23 Ca 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1i11 h GLN 23 Cb 1.69 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.12 1i11 h GLN 23 CO -0.00 0.76 -0.60 0.00 0.09 0.00 0.00 178.83 179.08 1i11 n ALA 24 N -2.46 3.47 -2.94 0.06 0.00 0.68 -4.49 120.51 114.83 1i11 n ALA 24 Ca 0.04 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 1i11 n ALA 24 Cb 0.22 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.66 -2.13 0.98 0.00 3.72 0.29 -4.95 117.46 113.71 1i11 n PHE 25 Ca 0.05 -2.49 0.08 0.00 -0.05 0.00 0.00 57.45 55.04 1i11 n PHE 25 Cb 0.36 0.77 0.48 0.00 -0.94 0.00 0.00 39.48 40.16 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 1.64 0.45 -0.03 -1.08 -0.04 0.17 -1.66 135.00 134.45 1i11 n PRO 26 Ca 0.15 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1i11 n PRO 26 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.08 1.32 -4.57 3.54 2.03 -1.26 -4.85 116.55 111.69 1i11 n ASP 27 Ca 0.11 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.04 1i11 n ASP 27 Cb 0.08 1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 41.92 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1i11 s MET 28 N -2.89 2.47 0.44 -0.67 1.75 -0.67 -4.85 119.30 114.89 1i11 s MET 28 Ca -0.06 1.47 -0.24 0.00 -1.25 0.00 0.00 55.69 55.60 1i11 s MET 28 Cb 0.09 -4.49 -0.09 0.00 2.84 0.00 0.00 34.83 33.17 1i11 s MET 28 CO 0.65 -2.86 1.14 1.58 -0.65 0.00 0.00 175.02 174.88 1i11 n HIS 29 N 14.24 1.62 -0.07 4.11 -0.00 -1.26 -4.47 115.22 129.38 1i11 n HIS 29 Ca 0.32 0.51 0.25 0.00 0.46 0.00 0.00 57.72 59.27 1i11 n HIS 29 Cb 0.52 -2.29 0.72 0.00 -0.12 0.00 0.00 29.99 28.81 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1i11 h ASN 30 N 1.67 0.00 0.35 0.26 4.21 -1.97 2.42 115.58 122.52 1i11 h ASN 30 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1i11 h ASN 30 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 1i11 h ASN 30 CO 0.58 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.18 1i11 n SER 31 N -4.03 0.31 -0.04 5.81 3.41 -1.26 -2.65 113.62 115.17 1i11 n SER 31 Ca 0.14 0.60 -0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1i11 n SER 31 Cb 0.84 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1i11 n SER 31 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1i11 n ASN 32 N -1.87 2.98 -0.18 4.04 5.15 0.80 -4.55 115.26 121.62 1i11 n ASN 32 Ca 0.01 -0.02 0.23 0.00 -0.60 0.00 0.00 54.58 54.20 1i11 n ASN 32 Cb 0.12 -0.15 0.61 0.00 -0.53 0.00 0.00 39.78 39.84 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1i11 h ILE 33 N -0.04 0.64 -0.64 -1.44 1.08 -0.93 0.14 117.51 116.32 1i11 h ILE 33 Ca -0.19 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 1i11 h ILE 33 Cb 1.27 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 1i11 h ILE 33 CO -0.04 0.04 0.31 0.28 -0.69 0.00 0.00 178.15 178.04 1i11 h SER 34 N 0.20 0.40 0.40 1.72 0.02 -1.74 1.59 113.55 116.14 1i11 h SER 34 Ca 0.42 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.36 1i11 h SER 34 Cb 1.33 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1i11 h SER 34 CO -0.09 0.24 -0.29 0.11 -1.14 0.00 0.00 176.83 175.66 1i11 h LYS 35 N 0.54 0.00 0.07 3.45 1.57 -1.00 1.02 116.57 122.22 1i11 h LYS 35 Ca 0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1i11 h LYS 35 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i11 h LYS 35 CO -0.25 0.29 -0.03 0.82 -0.57 0.00 0.00 179.45 179.71 1i11 h ILE 36 N 0.00 1.20 0.91 1.86 5.03 -0.07 -1.71 117.51 124.73 1i11 h ILE 36 Ca -0.00 -1.45 -0.04 0.00 -0.12 0.00 0.00 64.86 63.24 1i11 h ILE 36 Cb 0.57 2.07 0.01 0.00 -3.03 0.00 0.00 36.82 36.44 1i11 h ILE 36 CO 0.04 0.33 -0.44 -0.07 -0.68 0.00 0.00 178.15 177.33 1i11 h LEU 37 N -0.81 -1.04 -1.14 1.44 3.38 0.24 1.28 115.31 118.67 1i11 h LEU 37 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i11 h LEU 37 Cb 0.62 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1i11 h LEU 37 CO 0.02 -0.71 0.15 0.61 0.09 0.00 0.00 178.44 178.60 1i11 n GLY 38 N -1.41 -0.74 0.01 0.83 0.00 0.35 0.29 105.19 104.52 1i11 n GLY 38 Ca -0.15 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.15 0.51 -0.00 1.61 2.88 -0.64 -3.24 113.62 112.59 1i11 n SER 39 Ca -0.01 -0.11 -0.09 0.00 -1.33 0.00 0.00 58.87 57.32 1i11 n SER 39 Cb 0.18 1.80 -0.14 0.00 -0.75 0.00 0.00 64.21 65.31 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 0.02 0.75 -1.46 2.47 1.07 -3.13 114.38 114.10 1i11 h ARG 40 Ca 0.00 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 1i11 h ARG 40 Cb 0.86 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1i11 h ARG 40 CO 0.00 0.64 -0.36 2.35 0.56 0.00 0.00 179.97 183.16 1i11 h TRP 41 N 0.01 -0.93 0.00 3.04 2.91 0.42 -2.17 115.95 119.22 1i11 h TRP 41 Ca -0.24 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1i11 h TRP 41 Cb 1.97 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 30.93 1i11 h TRP 41 CO 0.01 -0.58 0.00 1.63 -1.03 0.00 0.00 178.44 178.47 1i11 n LYS 42 N -5.42 0.00 -0.97 2.65 5.02 -1.20 -1.84 118.16 116.40 1i11 n LYS 42 Ca -0.12 0.43 -0.20 0.00 -2.02 0.00 0.00 58.31 56.39 1i11 n LYS 42 Cb 0.40 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1i11 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i11 n ALA 43 N -1.49 5.30 -3.13 7.82 0.00 -0.82 -4.86 120.51 123.34 1i11 n ALA 43 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.45 1i11 n ALA 43 Cb 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 0.07 1.34 0.00 0.00 0.00 -0.77 -4.95 117.12 112.81 1i11 n MET 44 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 57.70 58.11 1i11 n MET 44 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.80 1i11 n MET 44 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1i11 n THR 45 N 0.00 0.00 0.00 3.17 -2.24 -1.26 -4.98 114.28 108.97 1i11 n THR 45 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1i11 n THR 45 Cb 0.00 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1i11 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i11 n ASN 46 N -0.98 0.00 0.25 3.42 5.03 -1.26 -4.35 115.26 117.37 1i11 n ASN 46 Ca 0.02 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.57 1i11 n ASN 46 Cb 0.16 0.00 0.64 0.00 -1.02 0.00 0.00 39.78 39.56 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1i11 h LEU 47 N 0.00 0.00 -1.01 3.41 6.46 -2.03 0.52 115.31 122.66 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 0.15 0.00 -0.33 -0.62 0.00 0.00 178.44 177.64 1i11 h GLU 48 N 0.00 0.00 -0.76 1.25 4.39 -1.98 -2.91 114.58 114.57 1i11 h GLU 48 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1i11 h GLU 48 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1i11 h GLU 48 CO 0.02 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.50 1i11 n LYS 49 N -2.84 2.16 -0.10 2.33 4.76 0.17 -4.19 118.16 120.45 1i11 n LYS 49 Ca 0.02 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 1i11 n LYS 49 Cb 0.32 -1.66 0.28 0.00 -1.84 0.00 0.00 35.03 32.14 1i11 n LYS 49 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1i11 h GLN 50 N 1.32 0.75 0.10 1.97 -0.00 -1.63 0.85 115.11 118.46 1i11 h GLN 50 Ca 0.00 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.65 58.43 1i11 h GLN 50 Cb 0.88 -0.15 0.01 0.00 -0.00 0.00 0.00 27.48 28.23 1i11 h GLN 50 CO 0.14 0.59 -0.56 -1.00 -0.00 0.00 0.00 178.83 177.99 1i11 h PRO 51 N 0.75 0.21 0.00 0.06 0.13 -1.88 -2.77 132.00 128.50 1i11 h PRO 51 Ca 0.19 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1i11 h PRO 51 Cb 0.08 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1i11 h PRO 51 CO -0.02 1.17 0.00 1.88 -0.23 0.00 0.00 178.00 180.79 1i11 h TYR 52 N -0.57 0.00 0.14 1.56 -1.99 -1.80 0.25 116.97 114.56 1i11 h TYR 52 Ca -0.10 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1i11 h TYR 52 Cb 1.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.17 1i11 h TYR 52 CO 0.22 0.00 -0.07 1.88 -0.00 0.00 0.00 178.16 180.19 1i11 h TYR 53 N 0.00 -0.18 -0.25 4.88 -1.99 -0.73 -3.10 116.97 115.61 1i11 h TYR 53 Ca 0.00 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1i11 h TYR 53 Cb 0.09 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1i11 h TYR 53 CO 0.00 0.11 -0.09 1.05 -0.00 0.00 0.00 178.16 179.23 1i11 h GLU 54 N -1.00 0.39 0.00 4.88 4.11 -1.13 -0.97 114.58 120.87 1i11 h GLU 54 Ca -0.02 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1i11 h GLU 54 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1i11 h GLU 54 CO 0.03 0.49 0.00 0.93 0.07 0.00 0.00 179.01 180.54 1i11 h GLU 55 N 0.37 0.00 0.00 1.06 5.08 -1.04 -1.12 114.58 118.93 1i11 h GLU 55 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1i11 h GLU 55 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1i11 h GLU 55 CO 0.02 0.00 -0.18 -0.56 -1.00 0.00 0.00 179.01 177.29 1i11 h GLN 56 N 0.00 0.00 0.00 2.33 3.07 -1.09 -3.12 115.11 116.30 1i11 h GLN 56 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1i11 h GLN 56 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.62 1i11 h GLN 56 CO 0.00 0.98 -0.08 0.00 0.09 0.00 0.00 178.83 179.82 1i11 h ALA 57 N -0.09 1.66 -0.10 0.06 0.00 -1.38 -1.96 119.26 117.45 1i11 h ALA 57 Ca -0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1i11 h ALA 57 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1i11 h ALA 57 CO -0.03 0.11 -0.63 0.00 0.00 0.00 0.00 179.25 178.70 1i11 h ARG 58 N 0.00 0.36 0.00 0.00 2.47 -1.29 -2.69 114.38 113.22 1i11 h ARG 58 Ca -0.00 -0.25 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 1i11 h ARG 58 Cb 0.17 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1i11 h ARG 58 CO 0.01 0.87 -0.50 -0.07 0.56 0.00 0.00 179.97 180.84 1i11 h LEU 59 N 0.26 0.00 -0.04 3.04 3.38 -1.29 -0.34 115.31 120.32 1i11 h LEU 59 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1i11 h LEU 59 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1i11 h LEU 59 CO 0.11 0.50 -1.08 0.77 0.09 0.00 0.00 178.44 178.82 1i11 h SER 60 N 0.00 0.49 0.03 -0.43 4.64 -1.44 0.11 113.55 116.94 1i11 h SER 60 Ca -0.00 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1i11 h SER 60 Cb 0.99 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1i11 h SER 60 CO 0.06 1.29 -0.02 0.50 -0.87 0.00 0.00 176.83 177.80 1i11 h LYS 61 N 0.16 -0.04 -0.04 4.77 1.63 -1.31 -3.14 116.57 118.59 1i11 h LYS 61 Ca -0.11 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.53 1i11 h LYS 61 Cb 1.76 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 33.41 1i11 h LYS 61 CO 0.18 0.44 -0.60 -0.56 -3.45 0.00 0.00 179.45 175.46 1i11 h GLN 62 N -0.54 0.48 -0.33 1.90 3.07 -1.15 -1.87 115.11 116.67 1i11 h GLN 62 Ca -0.00 -0.46 0.04 0.00 0.09 0.00 0.00 58.65 58.31 1i11 h GLN 62 Cb 0.50 0.12 -0.05 0.00 0.08 0.00 0.00 27.48 28.12 1i11 h GLN 62 CO 0.01 1.10 -0.33 1.25 0.09 0.00 0.00 178.83 180.95 1i11 h HIS 63 N 0.03 -1.03 -0.07 0.06 2.76 -0.88 1.17 115.15 117.19 1i11 h HIS 63 Ca -0.06 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1i11 h HIS 63 Cb 1.28 0.49 -0.00 0.00 1.55 0.00 0.00 27.41 30.73 1i11 h HIS 63 CO 0.13 -0.27 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.37 1i11 h LEU 64 N -0.17 0.17 -1.03 0.26 3.38 -1.67 -2.59 115.31 113.66 1i11 h LEU 64 Ca 0.06 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1i11 h LEU 64 Cb 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1i11 h LEU 64 CO -0.40 0.60 0.02 -0.62 0.09 0.00 0.00 178.44 178.12 1i11 n GLU 65 N -4.73 0.10 -0.08 1.13 1.02 -0.70 -2.57 120.64 114.81 1i11 n GLU 65 Ca -0.07 0.60 -0.09 0.00 -0.02 0.00 0.00 57.16 57.57 1i11 n GLU 65 Cb 0.29 -1.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 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 -1.39 3.49 1.79 0.18 -3.46 116.57 117.17 1i11 h LYS 66 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1i11 h LYS 66 Cb 0.03 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.44 1i11 h LYS 66 CO 0.00 0.36 -0.55 1.52 -1.08 0.00 0.00 179.45 179.70 1i11 s TYR 67 N -2.15 -1.15 0.00 -1.35 -0.85 -1.04 -5.06 117.35 105.76 1i11 s TYR 67 Ca -0.16 -0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 1i11 s TYR 67 Cb 0.02 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.38 1i11 s TYR 67 CO 0.32 -1.09 0.03 -0.35 -1.52 0.00 0.00 175.55 172.94 1i11 n PRO 68 N 4.37 0.00 -1.57 -3.49 -0.04 -1.14 -4.36 135.00 128.77 1i11 n PRO 68 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 1i11 n PRO 68 Cb 0.52 -0.42 -0.05 0.00 -0.04 0.00 0.00 33.50 33.51 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 -0.38 6.68 0.00 3.54 5.75 -1.26 -5.11 116.55 125.78 1i11 n ASP 69 Ca 0.00 -3.21 0.01 0.00 -0.01 0.00 0.00 54.79 51.58 1i11 n ASP 69 Cb 0.00 -1.25 0.06 0.00 -1.03 0.00 0.00 41.12 38.90 1i11 n ASP 69 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87