#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 3.49 -4.66 6.00 1.44 -1.26 -5.06 115.22 115.17 1i11 n HIS 2 Ca 0.00 -4.22 -0.30 0.00 -2.01 0.00 0.00 57.72 51.18 1i11 n HIS 2 Cb 0.00 -0.60 -0.07 0.00 0.12 0.00 0.00 29.99 29.43 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 -2.02 0.77 -1.24 0.61 -4.36 -1.26 -4.96 121.20 108.74 1i11 s ILE 3 Ca 0.33 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.56 1i11 s ILE 3 Cb 0.06 -2.14 0.13 0.00 1.25 0.00 0.00 42.46 41.76 1i11 s ILE 3 CO -0.08 0.00 1.56 -0.75 0.24 0.00 0.00 174.94 175.91 1i11 s LYS 4 N -3.78 4.04 0.67 0.37 2.20 -1.26 -4.99 119.74 116.99 1i11 s LYS 4 Ca 0.11 -2.31 -0.17 0.00 -0.36 0.00 0.00 55.97 53.25 1i11 s LYS 4 Cb 0.01 -5.27 0.01 0.00 -1.51 0.00 0.00 37.83 31.06 1i11 s LYS 4 CO 0.07 -1.98 1.21 -0.98 -0.36 0.00 0.00 175.35 173.31 1i11 s ARG 5 N 2.77 2.51 -1.31 4.03 3.03 -1.26 -4.87 118.95 123.86 1i11 s ARG 5 Ca 0.47 1.80 -0.17 0.00 2.03 0.00 0.00 55.73 59.86 1i11 s ARG 5 Cb 0.00 -1.87 0.03 0.00 -1.03 0.00 0.00 34.95 32.08 1i11 s ARG 5 CO 0.03 -1.56 1.93 -0.35 -1.13 0.00 0.00 175.30 174.22 1i11 n PRO 6 N -2.22 2.83 -3.50 3.89 -0.04 -1.26 -4.93 135.00 129.77 1i11 n PRO 6 Ca 0.14 -2.89 -0.23 0.00 -0.04 0.00 0.00 63.50 60.48 1i11 n PRO 6 Cb 0.50 -3.42 0.01 0.00 -0.04 0.00 0.00 33.50 30.56 1i11 n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i11 s MET 7 N 4.15 2.34 0.00 0.54 0.23 -1.26 -4.94 119.30 120.36 1i11 s MET 7 Ca 0.53 -1.77 0.00 0.00 -1.03 0.00 0.00 55.69 53.42 1i11 s MET 7 Cb 0.08 -2.36 0.00 0.00 -1.53 0.00 0.00 34.83 31.01 1i11 s MET 7 CO 0.03 -0.62 0.00 -1.71 -2.03 0.00 0.00 175.02 170.70 1i11 n ASN 8 N -1.90 0.00 -0.28 -1.18 2.85 -1.26 -4.89 115.26 108.60 1i11 n ASN 8 Ca 0.06 0.00 0.27 0.00 -0.11 0.00 0.00 54.58 54.80 1i11 n ASN 8 Cb 0.63 0.00 0.62 0.00 1.24 0.00 0.00 39.78 42.27 1i11 n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i11 h ALA 9 N 0.00 2.62 0.27 5.20 0.00 -1.90 2.34 119.26 127.79 1i11 h ALA 9 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i11 h ALA 9 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1i11 h ALA 9 CO 0.00 -0.96 -0.13 0.35 0.00 0.00 0.00 179.25 178.51 1i11 h PHE 10 N 0.20 -0.34 0.00 0.00 3.57 -1.93 2.42 116.94 120.86 1i11 h PHE 10 Ca 0.54 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1i11 h PHE 10 Cb 1.73 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.58 1i11 h PHE 10 CO -0.00 -0.21 0.01 0.52 -2.23 0.00 0.00 178.31 176.39 1i11 h MET 11 N -0.71 0.00 0.04 1.11 2.86 -1.68 2.23 114.93 118.78 1i11 h MET 11 Ca -0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1i11 h MET 11 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1i11 h MET 11 CO 0.06 0.00 -0.38 0.28 1.06 0.00 0.00 176.91 177.93 1i11 h VAL 12 N 0.00 1.61 0.00 -2.22 2.07 0.42 -2.86 116.25 115.27 1i11 h VAL 12 Ca 0.00 -2.38 -0.13 0.00 0.82 0.00 0.00 66.70 65.01 1i11 h VAL 12 Cb 0.02 3.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 1i11 h VAL 12 CO 0.00 0.61 -0.67 -0.25 0.02 0.00 0.00 177.57 177.28 1i11 h TRP 13 N -0.82 0.00 0.00 1.57 7.01 0.55 -3.21 115.95 121.06 1i11 h TRP 13 Ca -0.08 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.84 1i11 h TRP 13 Cb 1.22 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 1i11 h TRP 13 CO 0.24 0.62 -0.37 0.00 -2.79 0.00 0.00 178.44 176.13 1i11 h ALA 14 N 1.38 1.02 -0.14 2.65 0.00 0.35 0.75 119.26 125.28 1i11 h ALA 14 Ca -0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1i11 h ALA 14 Cb 1.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1i11 h ALA 14 CO 0.08 0.46 -0.13 0.87 0.00 0.00 0.00 179.25 180.54 1i11 h LYS 15 N 0.00 0.21 0.12 0.00 1.57 -1.50 1.99 116.57 118.97 1i11 h LYS 15 Ca -0.00 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.39 1i11 h LYS 15 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1i11 h LYS 15 CO 0.05 0.35 -1.84 0.22 -0.57 0.00 0.00 179.45 177.66 1i11 h ASP 16 N 0.20 0.41 -0.43 0.86 1.82 -1.64 -1.42 116.42 116.22 1i11 h ASP 16 Ca 0.04 -0.78 -0.06 0.00 -0.39 0.00 0.00 57.03 55.85 1i11 h ASP 16 Cb 0.35 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 1i11 h ASP 16 CO 0.02 1.68 0.08 -0.08 -1.61 0.00 0.00 179.24 179.33 1i11 h GLU 17 N 0.07 0.79 0.05 0.28 4.22 -0.37 1.93 114.58 121.55 1i11 h GLU 17 Ca -0.36 -0.18 -0.24 0.00 0.08 0.00 0.00 59.36 58.66 1i11 h GLU 17 Cb 2.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1i11 h GLU 17 CO 0.12 0.74 -1.05 0.07 -2.18 0.00 0.00 179.01 176.71 1i11 h ARG 18 N 0.75 0.34 -0.51 1.92 -0.00 0.31 -0.02 114.38 117.17 1i11 h ARG 18 Ca 0.16 -0.44 -0.12 0.00 -0.00 0.00 0.00 59.98 59.58 1i11 h ARG 18 Cb 0.34 0.14 -0.02 0.00 -0.00 0.00 0.00 29.97 30.44 1i11 h ARG 18 CO 0.01 1.14 -0.15 0.00 -0.00 0.00 0.00 179.97 180.96 1i11 h ARG 19 N 0.16 0.98 0.00 0.08 2.47 -0.48 2.01 114.38 119.60 1i11 h ARG 19 Ca -0.10 -0.38 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 1i11 h ARG 19 Cb 1.72 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.98 1i11 h ARG 19 CO 0.18 1.05 -0.18 -0.22 0.56 0.00 0.00 179.97 181.36 1i11 h LYS 20 N 0.86 0.00 0.04 0.04 1.63 0.32 -3.01 116.57 116.45 1i11 h LYS 20 Ca 0.13 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.54 1i11 h LYS 20 Cb 0.71 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 1i11 h LYS 20 CO 0.05 0.18 -2.32 -0.89 -3.45 0.00 0.00 179.45 173.03 1i11 n ILE 21 N -3.37 1.59 -0.28 2.00 -0.00 -0.04 -4.06 119.36 115.20 1i11 n ILE 21 Ca 0.00 -0.60 0.26 0.00 -0.00 0.00 0.00 62.75 62.41 1i11 n ILE 21 Cb 0.40 -1.53 0.61 0.00 -0.00 0.00 0.00 39.64 39.11 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 0.01 0.25 -0.79 1.39 5.85 0.32 2.47 115.31 124.81 1i11 h LEU 22 Ca -0.53 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1i11 h LEU 22 Cb 1.94 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.95 1i11 h LEU 22 CO -0.03 0.06 0.07 0.06 -0.34 0.00 0.00 178.44 178.26 1i11 h GLN 23 N 0.23 0.98 0.00 1.25 3.07 -1.68 2.07 115.11 121.03 1i11 h GLN 23 Ca 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1i11 h GLN 23 Cb 1.66 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 29.10 1i11 h GLN 23 CO -0.16 0.92 0.00 0.00 0.09 0.00 0.00 178.83 179.69 1i11 h ALA 24 N 1.15 1.00 -0.83 0.06 0.00 0.33 -3.38 119.26 117.59 1i11 h ALA 24 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.82 1i11 h ALA 24 Cb 0.44 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.02 1i11 h ALA 24 CO 0.01 0.00 -0.61 1.19 0.00 0.00 0.00 179.25 179.84 1i11 n PHE 25 N -2.40 -2.93 0.56 0.00 3.72 0.52 -4.97 117.46 111.96 1i11 n PHE 25 Ca 0.05 -1.98 0.06 0.00 -0.05 0.00 0.00 57.45 55.52 1i11 n PHE 25 Cb 0.44 1.18 0.29 0.00 -0.94 0.00 0.00 39.48 40.45 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 2.20 0.18 -0.11 -1.08 -0.04 0.68 -1.79 135.00 135.04 1i11 n PRO 26 Ca 0.16 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1i11 n PRO 26 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.25 1.22 -4.56 3.54 -0.08 -1.26 -4.74 116.55 109.41 1i11 n ASP 27 Ca 0.06 -0.07 -0.22 0.00 -1.51 0.00 0.00 54.79 53.05 1i11 n ASP 27 Cb 0.08 0.26 -0.06 0.00 2.34 0.00 0.00 41.12 43.75 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1i11 s MET 28 N -2.48 2.00 0.00 -0.67 1.75 -0.74 -4.90 119.30 114.26 1i11 s MET 28 Ca -0.22 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 1i11 s MET 28 Cb 0.07 -4.80 0.00 0.00 2.84 0.00 0.00 34.83 32.94 1i11 s MET 28 CO 0.67 -3.87 0.00 -2.39 -0.65 0.00 0.00 175.02 168.78 1i11 n HIS 29 N 16.61 -1.57 0.11 4.11 1.44 -1.26 -4.28 115.22 130.38 1i11 n HIS 29 Ca 0.42 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 56.07 1i11 n HIS 29 Cb 0.47 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.55 1i11 n HIS 29 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1i11 h ASN 30 N -0.00 -0.34 -1.46 4.39 7.08 -1.95 1.69 115.58 124.98 1i11 h ASN 30 Ca 0.00 0.02 0.42 0.00 -3.08 0.00 0.00 56.30 53.66 1i11 h ASN 30 Cb 0.00 0.10 -0.06 0.00 -2.08 0.00 0.00 38.32 36.28 1i11 h ASN 30 CO 0.00 -0.20 1.24 -1.20 -2.08 0.00 0.00 177.43 175.19 1i11 n SER 31 N -3.06 0.00 -0.11 6.14 7.64 -1.26 0.71 113.62 123.68 1i11 n SER 31 Ca -0.04 0.82 -0.19 0.00 1.01 0.00 0.00 58.87 60.48 1i11 n SER 31 Cb 0.13 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 1i11 n SER 31 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1i11 n ASN 32 N -3.48 1.87 0.16 6.43 5.15 -0.90 -4.31 115.26 120.18 1i11 n ASN 32 Ca 0.33 0.32 0.19 0.00 -0.60 0.00 0.00 54.58 54.82 1i11 n ASN 32 Cb 1.68 -0.74 0.75 0.00 -0.53 0.00 0.00 39.78 40.93 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 -0.94 0.26 -0.56 -1.44 1.08 0.39 0.33 117.51 116.63 1i11 h ILE 33 Ca -0.35 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.20 1i11 h ILE 33 Cb 1.27 0.63 -0.06 0.00 -3.07 0.00 0.00 36.82 35.60 1i11 h ILE 33 CO -0.21 0.00 0.22 0.28 -0.69 0.00 0.00 178.15 177.75 1i11 h SER 34 N 0.00 0.25 0.84 1.72 0.02 0.11 0.92 113.55 117.41 1i11 h SER 34 Ca 0.14 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1i11 h SER 34 Cb 1.01 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1i11 h SER 34 CO -0.00 0.16 -0.25 0.07 -1.14 0.00 0.00 176.83 175.67 1i11 h LYS 35 N 0.42 0.00 0.24 3.45 2.10 -1.15 -0.17 116.57 121.45 1i11 h LYS 35 Ca 0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.91 1i11 h LYS 35 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1i11 h LYS 35 CO -0.26 0.25 -0.12 0.82 -2.00 0.00 0.00 179.45 178.14 1i11 h ILE 36 N 0.00 0.65 0.63 0.07 5.03 -0.17 -1.04 117.51 122.67 1i11 h ILE 36 Ca -0.00 -0.92 -0.03 0.00 -0.12 0.00 0.00 64.86 63.79 1i11 h ILE 36 Cb 0.74 1.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.59 1i11 h ILE 36 CO 0.03 0.16 -0.32 -0.07 -0.68 0.00 0.00 178.15 177.27 1i11 h LEU 37 N -0.90 -0.77 -0.52 1.44 3.38 0.72 1.63 115.31 120.30 1i11 h LEU 37 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i11 h LEU 37 Cb 0.50 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1i11 h LEU 37 CO 0.05 -0.53 0.01 0.61 0.09 0.00 0.00 178.44 178.67 1i11 n GLY 38 N -1.47 -0.62 0.01 0.83 0.00 -0.09 0.21 105.19 104.06 1i11 n GLY 38 Ca -0.13 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.77 0.80 0.03 1.61 2.88 -0.04 -3.16 113.62 113.98 1i11 n SER 39 Ca -0.01 -0.21 -0.19 0.00 -1.33 0.00 0.00 58.87 57.14 1i11 n SER 39 Cb 0.02 1.65 -0.14 0.00 -0.75 0.00 0.00 64.21 64.99 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 0.26 0.50 -1.46 2.47 0.94 -2.87 114.38 114.22 1i11 h ARG 40 Ca 0.00 -0.45 -0.02 0.00 -1.26 0.00 0.00 59.98 58.25 1i11 h ARG 40 Cb 0.75 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1i11 h ARG 40 CO 0.00 1.13 -0.24 2.35 0.56 0.00 0.00 179.97 183.77 1i11 h TRP 41 N 0.07 -0.62 -0.07 3.04 2.91 0.24 0.43 115.95 121.94 1i11 h TRP 41 Ca -0.35 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 59.68 1i11 h TRP 41 Cb 2.05 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 30.90 1i11 h TRP 41 CO 0.07 -0.34 0.10 0.87 -1.03 0.00 0.00 178.44 178.11 1i11 h LYS 42 N -0.78 0.00 -0.01 2.65 1.57 -1.69 1.27 116.57 119.59 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 0.11 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 178.92 1i11 n ALA 43 N -2.27 2.73 -1.36 3.86 0.00 -0.16 -4.87 120.51 118.44 1i11 n ALA 43 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 1i11 n ALA 43 Cb 0.19 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.51 -0.37 -3.83 0.00 2.81 0.44 -5.00 117.12 110.67 1i11 n MET 44 Ca 0.17 -0.67 -0.30 0.00 -1.81 0.00 0.00 57.70 55.10 1i11 n MET 44 Cb 0.29 -0.42 -0.14 0.00 -0.71 0.00 0.00 33.22 32.23 1i11 n MET 44 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1i11 s THR 45 N -1.86 1.62 0.00 2.03 -4.23 -1.26 -4.99 115.64 106.95 1i11 s THR 45 Ca 0.24 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1i11 s THR 45 Cb -0.01 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1i11 s THR 45 CO 0.17 -0.73 0.00 -3.20 -0.54 0.00 0.00 174.62 170.31 1i11 n ASN 46 N 4.09 0.00 0.11 3.99 4.05 -1.26 0.42 115.26 126.67 1i11 n ASN 46 Ca 0.03 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.14 1i11 n ASN 46 Cb 0.39 0.00 0.55 0.00 1.23 0.00 0.00 39.78 41.94 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1i11 h LEU 47 N 0.00 0.21 0.00 1.20 6.46 -2.04 0.10 115.31 121.25 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 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1i11 h LEU 47 CO 0.00 0.15 0.00 -0.62 -0.62 0.00 0.00 178.44 177.35 1i11 n GLU 48 N -4.50 0.58 -0.15 1.25 4.71 1.42 -3.25 120.64 120.71 1i11 n GLU 48 Ca 0.01 0.02 0.02 0.00 -0.01 0.00 0.00 57.16 57.20 1i11 n GLU 48 Cb 0.13 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.14 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1i11 n LYS 49 N -1.18 1.65 -0.07 3.49 5.02 0.36 -4.20 118.16 123.24 1i11 n LYS 49 Ca 0.16 -0.64 -0.10 0.00 -2.02 0.00 0.00 58.31 55.71 1i11 n LYS 49 Cb 0.17 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1i11 h GLN 50 N 0.90 0.34 0.02 1.97 4.20 -1.73 -1.82 115.11 119.00 1i11 h GLN 50 Ca 0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1i11 h GLN 50 Cb 0.57 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1i11 h GLN 50 CO 0.06 0.30 -0.20 -1.00 -0.67 0.00 0.00 178.83 177.32 1i11 h PRO 51 N 0.29 0.10 0.00 1.46 0.13 -1.90 -2.82 132.00 129.24 1i11 h PRO 51 Ca 0.09 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1i11 h PRO 51 Cb 0.06 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1i11 h PRO 51 CO -0.01 0.99 0.00 0.66 -0.23 0.00 0.00 178.00 179.40 1i11 n TYR 52 N -4.52 0.53 -0.08 1.56 4.01 -1.24 -0.66 117.16 116.76 1i11 n TYR 52 Ca -0.10 0.25 -0.16 0.00 -0.16 0.00 0.00 57.90 57.73 1i11 n TYR 52 Cb 0.53 -0.90 -0.12 0.00 -0.31 0.00 0.00 39.34 38.54 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 -0.36 -0.72 -1.99 -1.29 -3.26 116.97 109.35 1i11 h TYR 53 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1i11 h TYR 53 Cb 0.13 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1i11 h TYR 53 CO 0.00 1.10 -0.19 0.93 -0.00 0.00 0.00 178.16 179.99 1i11 h GLU 54 N -1.00 0.68 0.00 4.88 5.08 -1.15 -1.79 114.58 121.29 1i11 h GLU 54 Ca -0.09 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1i11 h GLU 54 Cb 1.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1i11 h GLU 54 CO -0.06 0.83 0.06 0.93 -1.00 0.00 0.00 179.01 179.78 1i11 h GLU 55 N 0.61 0.00 0.00 2.33 5.08 -1.01 -1.58 114.58 120.00 1i11 h GLU 55 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1i11 h GLU 55 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1i11 h GLU 55 CO 0.05 0.00 -0.16 -0.56 -1.00 0.00 0.00 179.01 177.34 1i11 h GLN 56 N 0.00 0.00 -0.39 2.33 3.07 -1.36 -3.12 115.11 115.63 1i11 h GLN 56 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 1i11 h GLN 56 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.67 1i11 h GLN 56 CO 0.00 0.77 0.35 0.00 0.09 0.00 0.00 178.83 180.03 1i11 h ALA 57 N -0.29 2.20 0.44 0.06 0.00 -1.26 0.10 119.26 120.51 1i11 h ALA 57 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1i11 h ALA 57 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1i11 h ALA 57 CO -0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 179.25 178.47 1i11 h ARG 58 N 0.00 -0.57 0.00 0.00 2.47 -1.40 -2.76 114.38 112.12 1i11 h ARG 58 Ca 0.19 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1i11 h ARG 58 Cb 0.88 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 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 -4.85 0.36 0.09 3.04 -0.00 -0.92 -1.09 117.00 113.63 1i11 n LEU 59 Ca -0.07 0.65 -0.13 0.00 -0.00 0.00 0.00 56.01 56.46 1i11 n LEU 59 Cb 0.23 -0.67 -0.12 0.00 -0.00 0.00 0.00 43.42 42.86 1i11 n LEU 59 CO 0.18 -0.71 0.04 -1.28 -0.00 0.00 0.00 177.39 175.61 1i11 h SER 60 N 0.00 0.29 0.10 1.45 0.87 -0.86 -2.31 113.55 113.08 1i11 h SER 60 Ca 0.00 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1i11 h SER 60 Cb 0.06 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1i11 h SER 60 CO 0.00 1.22 -0.05 0.50 -0.53 0.00 0.00 176.83 177.97 1i11 h LYS 61 N 0.06 -0.13 0.00 2.24 3.64 -0.82 -2.97 116.57 118.59 1i11 h LYS 61 Ca -0.09 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1i11 h LYS 61 Cb 1.86 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1i11 h LYS 61 CO 0.17 0.39 -0.08 1.96 -2.27 0.00 0.00 179.45 179.62 1i11 h GLN 62 N -0.78 0.00 0.40 1.90 1.08 -1.63 -2.91 115.11 113.18 1i11 h GLN 62 Ca -0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1i11 h GLN 62 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1i11 h GLN 62 CO 0.02 0.08 -0.19 1.25 -0.95 0.00 0.00 178.83 179.04 1i11 h HIS 63 N 0.00 -0.50 -1.10 2.96 2.76 -1.37 -2.91 115.15 114.99 1i11 h HIS 63 Ca -0.00 -0.01 0.30 0.00 -2.20 0.00 0.00 60.37 58.46 1i11 h HIS 63 Cb 0.29 0.17 -0.09 0.00 1.55 0.00 0.00 27.41 29.32 1i11 h HIS 63 CO 0.00 -0.31 0.72 -0.07 -1.30 0.00 0.00 177.93 176.97 1i11 h LEU 64 N -0.72 0.36 -0.99 0.26 3.38 -1.46 2.31 115.31 118.44 1i11 h LEU 64 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i11 h LEU 64 Cb 0.41 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1i11 h LEU 64 CO 0.09 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 1i11 n GLU 65 N -4.58 0.15 0.06 1.13 1.02 -1.11 -0.80 120.64 116.51 1i11 n GLU 65 Ca 0.27 0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 57.81 1i11 n GLU 65 Cb 1.01 -1.87 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.17 -0.85 3.49 1.79 0.41 -3.42 116.57 118.17 1i11 h LYS 66 Ca 0.00 -0.29 -0.29 0.00 -2.18 0.00 0.00 60.65 57.89 1i11 h LYS 66 Cb 0.15 0.11 -0.21 0.00 -1.58 0.00 0.00 32.23 30.70 1i11 h LYS 66 CO 0.00 1.05 -0.64 2.48 -1.08 0.00 0.00 179.45 181.26 1i11 n TYR 67 N -3.40 -2.77 0.02 -1.35 4.11 -0.54 -5.02 117.16 108.21 1i11 n TYR 67 Ca -0.11 -2.09 -0.01 0.00 -0.00 0.00 0.00 57.90 55.69 1i11 n TYR 67 Cb 1.02 1.10 -0.01 0.00 -0.00 0.00 0.00 39.34 41.45 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1i11 h PRO 68 N 4.45 -0.09 -3.11 -3.48 0.13 -1.22 -3.33 132.00 125.35 1i11 h PRO 68 Ca -0.01 0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 1i11 h PRO 68 Cb 1.02 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1i11 h PRO 68 CO 0.26 -0.06 2.31 -0.25 -0.23 0.00 0.00 178.00 180.04 1i11 n ASP 69 N -3.15 5.46 0.00 1.44 9.92 -1.26 -5.10 116.55 123.85 1i11 n ASP 69 Ca -0.01 -2.34 0.01 0.00 -0.53 0.00 0.00 54.79 51.91 1i11 n ASP 69 Cb 0.04 -1.17 0.03 0.00 -0.64 0.00 0.00 41.12 39.38 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33