#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 3.63 -4.41 6.00 1.44 -1.26 -4.97 115.22 115.64 1i11 n HIS 2 Ca 0.00 -3.41 -0.25 0.00 -2.01 0.00 0.00 57.72 52.05 1i11 n HIS 2 Cb 0.00 -0.37 -0.10 0.00 0.12 0.00 0.00 29.99 29.64 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 -5.01 2.69 -0.36 0.61 1.01 -1.26 -4.27 121.20 114.61 1i11 s ILE 3 Ca 0.48 -2.18 -0.07 0.00 0.00 0.00 0.00 60.65 58.89 1i11 s ILE 3 Cb 0.34 -2.38 -0.22 0.00 0.01 0.00 0.00 42.46 40.21 1i11 s ILE 3 CO -0.18 -0.31 3.33 2.29 0.00 0.00 0.00 174.94 180.07 1i11 n LYS 4 N -0.43 2.27 -1.37 2.79 2.85 -1.26 -4.91 118.16 118.10 1i11 n LYS 4 Ca -0.07 -1.22 -0.30 0.00 -1.05 0.00 0.00 58.31 55.67 1i11 n LYS 4 Cb 0.59 -2.15 0.10 0.00 -0.65 0.00 0.00 35.03 32.91 1i11 n LYS 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1i11 s ARG 5 N 1.38 1.94 -1.31 -1.58 0.52 -1.26 -4.88 118.95 113.75 1i11 s ARG 5 Ca 0.64 0.86 -0.15 0.00 -0.52 0.00 0.00 55.73 56.56 1i11 s ARG 5 Cb 0.27 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.83 1i11 s ARG 5 CO -0.01 -1.78 2.27 -0.35 0.02 0.00 0.00 175.30 175.45 1i11 n PRO 6 N -3.57 2.65 -0.95 3.54 -0.04 -1.26 -4.88 135.00 130.48 1i11 n PRO 6 Ca 0.07 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1i11 n PRO 6 Cb 0.55 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1i11 n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i11 n MET 7 N 5.80 1.98 -3.11 0.54 0.00 -1.26 -5.01 117.12 116.06 1i11 n MET 7 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.25 1i11 n MET 7 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.57 1i11 n MET 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i11 n ASN 8 N -1.56 0.00 -0.21 3.17 2.85 -1.26 -4.88 115.26 113.36 1i11 n ASN 8 Ca 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.64 1i11 n ASN 8 Cb 0.00 0.00 0.49 0.00 1.24 0.00 0.00 39.78 41.51 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 2.12 0.40 5.20 0.00 -1.89 2.20 119.26 127.30 1i11 h ALA 9 Ca 0.00 0.01 -0.02 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 17.74 1i11 h ALA 9 CO 0.00 -0.37 -0.19 0.35 0.00 0.00 0.00 179.25 179.04 1i11 h PHE 10 N 0.44 -0.50 0.00 0.00 3.57 -1.93 2.31 116.94 120.83 1i11 h PHE 10 Ca 0.42 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1i11 h PHE 10 Cb 0.98 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1i11 h PHE 10 CO -0.00 -0.31 0.00 0.52 -2.23 0.00 0.00 178.31 176.29 1i11 h MET 11 N -1.01 0.00 0.08 1.11 2.86 -1.75 2.62 114.93 118.83 1i11 h MET 11 Ca -0.06 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1i11 h MET 11 Cb 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1i11 h MET 11 CO 0.09 0.00 -0.92 0.28 1.06 0.00 0.00 176.91 177.42 1i11 h VAL 12 N 0.00 1.31 0.14 -2.22 2.07 0.40 -2.53 116.25 115.42 1i11 h VAL 12 Ca 0.00 -2.39 -0.29 0.00 0.82 0.00 0.00 66.70 64.84 1i11 h VAL 12 Cb 0.05 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1i11 h VAL 12 CO 0.00 0.63 -1.31 -0.25 0.02 0.00 0.00 177.57 176.65 1i11 h TRP 13 N -0.58 0.55 0.00 1.57 7.01 0.55 -3.26 115.95 121.78 1i11 h TRP 13 Ca -0.20 -0.40 -0.07 0.00 2.11 0.00 0.00 58.89 60.33 1i11 h TRP 13 Cb 1.49 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.52 1i11 h TRP 13 CO 0.17 1.33 -0.32 0.00 -2.79 0.00 0.00 178.44 176.83 1i11 h ALA 14 N 0.52 1.00 0.00 2.65 0.00 0.43 0.27 119.26 124.13 1i11 h ALA 14 Ca -0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1i11 h ALA 14 Cb 2.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1i11 h ALA 14 CO 0.21 0.41 -0.28 1.57 0.00 0.00 0.00 179.25 181.15 1i11 h LYS 15 N 0.00 0.00 0.01 0.00 2.10 -1.49 1.46 116.57 118.65 1i11 h LYS 15 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1i11 h LYS 15 Cb 0.86 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.13 1i11 h LYS 15 CO 0.04 0.28 -2.07 -3.47 -2.00 0.00 0.00 179.45 172.24 1i11 n ASP 16 N -4.08 0.63 -0.01 7.07 -0.08 -1.04 -2.73 116.55 116.30 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 0.34 0.34 0.13 0.00 2.34 0.00 0.00 41.12 44.26 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 0.55 0.02 -0.67 4.39 0.05 1.92 114.58 120.84 1i11 h GLU 17 Ca -0.43 -0.26 -0.23 0.00 0.34 0.00 0.00 59.36 58.79 1i11 h GLU 17 Cb 2.11 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1i11 h GLU 17 CO 0.05 0.83 -0.97 0.07 -1.16 0.00 0.00 179.01 177.83 1i11 h ARG 18 N 0.47 0.36 -0.41 2.33 0.11 0.19 0.41 114.38 117.84 1i11 h ARG 18 Ca 0.05 -0.41 -0.14 0.00 0.10 0.00 0.00 59.98 59.58 1i11 h ARG 18 Cb 0.84 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 1i11 h ARG 18 CO 0.07 1.10 -0.29 0.07 0.10 0.00 0.00 179.97 181.02 1i11 h ARG 19 N 0.19 0.90 0.00 0.08 -0.00 -1.27 2.06 114.38 116.34 1i11 h ARG 19 Ca -0.08 -0.41 -0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1i11 h ARG 19 Cb 1.62 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 31.57 1i11 h ARG 19 CO 0.16 1.06 -0.00 -0.22 -0.00 0.00 0.00 179.97 180.98 1i11 h LYS 20 N 0.76 0.00 0.01 0.08 1.63 0.33 -2.92 116.57 116.45 1i11 h LYS 20 Ca 0.09 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.51 1i11 h LYS 20 Cb 0.85 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.43 1i11 h LYS 20 CO 0.08 0.00 -2.08 -0.89 -3.45 0.00 0.00 179.45 173.11 1i11 n ILE 21 N -3.10 1.54 -0.33 2.00 -0.00 0.14 -4.15 119.36 115.47 1i11 n ILE 21 Ca 0.02 -0.30 0.34 0.00 -0.00 0.00 0.00 62.75 62.81 1i11 n ILE 21 Cb 0.37 -1.89 0.73 0.00 -0.00 0.00 0.00 39.64 38.85 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 -0.85 0.05 -0.93 1.39 5.85 0.33 2.60 115.31 123.75 1i11 h LEU 22 Ca -0.56 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 1i11 h LEU 22 Cb 1.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 1i11 h LEU 22 CO -0.30 0.01 0.31 0.06 -0.34 0.00 0.00 178.44 178.18 1i11 h GLN 23 N 0.04 1.08 0.00 1.25 3.07 -1.67 1.44 115.11 120.32 1i11 h GLN 23 Ca 0.58 -0.18 -0.06 0.00 0.09 0.00 0.00 58.65 59.08 1i11 h GLN 23 Cb 2.22 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 29.59 1i11 h GLN 23 CO -0.05 0.87 -0.59 0.00 0.09 0.00 0.00 178.83 179.16 1i11 h ALA 24 N 1.27 0.74 -2.05 0.06 0.00 0.37 -3.38 119.26 116.27 1i11 h ALA 24 Ca 0.25 -0.27 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 1i11 h ALA 24 Cb 0.18 0.02 -0.38 0.00 0.00 0.00 0.00 17.79 17.61 1i11 h ALA 24 CO -0.02 0.34 -1.04 1.19 0.00 0.00 0.00 179.25 179.71 1i11 n PHE 25 N -3.02 -0.70 0.49 0.00 3.72 0.42 -4.94 117.46 113.43 1i11 n PHE 25 Ca 0.00 -3.39 0.05 0.00 -0.05 0.00 0.00 57.45 54.06 1i11 n PHE 25 Cb 0.65 -0.06 0.25 0.00 -0.94 0.00 0.00 39.48 39.38 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 1.93 0.17 -0.06 -1.08 -0.04 0.48 -1.59 135.00 134.81 1i11 n PRO 26 Ca 0.24 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.82 1i11 n PRO 26 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.23 1.13 -4.56 3.54 8.00 -1.26 -4.79 116.55 117.38 1i11 n ASP 27 Ca 0.05 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 1i11 n ASP 27 Cb 0.07 1.10 -0.06 0.00 -0.02 0.00 0.00 41.12 42.21 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 -2.57 1.82 0.56 -1.24 1.75 -0.62 -4.90 119.30 114.11 1i11 s MET 28 Ca -0.07 0.31 -0.10 0.00 -1.25 0.00 0.00 55.69 54.58 1i11 s MET 28 Cb 0.06 -4.85 0.13 0.00 2.84 0.00 0.00 34.83 33.01 1i11 s MET 28 CO 0.66 -4.20 0.68 -2.39 -0.65 0.00 0.00 175.02 169.12 1i11 n HIS 29 N 17.57 -3.87 0.09 4.11 1.44 -1.26 -4.22 115.22 129.09 1i11 n HIS 29 Ca 0.45 -0.61 -0.15 0.00 -2.01 0.00 0.00 57.72 55.40 1i11 n HIS 29 Cb 0.44 -0.57 -0.09 0.00 0.12 0.00 0.00 29.99 29.89 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.97 -2.81 0.00 0.00 176.34 172.56 1i11 h ASN 30 N -1.19 -1.51 -0.37 4.39 -0.00 -1.96 0.46 115.58 115.39 1i11 h ASN 30 Ca -0.23 0.16 0.11 0.00 -0.00 0.00 0.00 56.30 56.34 1i11 h ASN 30 Cb 0.65 0.56 -0.01 0.00 -0.00 0.00 0.00 38.32 39.51 1i11 h ASN 30 CO 0.16 -0.52 0.94 -1.28 -0.00 0.00 0.00 177.43 176.73 1i11 h SER 31 N -0.69 0.00 0.00 1.15 0.87 -1.99 -0.43 113.55 112.46 1i11 h SER 31 Ca -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1i11 h SER 31 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1i11 h SER 31 CO -0.28 0.00 -1.13 0.59 -0.53 0.00 0.00 176.83 175.48 1i11 n ASN 32 N -2.90 1.28 0.18 6.23 4.13 -0.16 -4.51 115.26 119.52 1i11 n ASN 32 Ca 0.08 0.21 0.18 0.00 1.68 0.00 0.00 54.58 56.72 1i11 n ASN 32 Cb 1.06 -0.48 0.72 0.00 -1.54 0.00 0.00 39.78 39.54 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1i11 h ILE 33 N -0.51 0.19 -0.23 2.41 1.08 0.16 -0.25 117.51 120.35 1i11 h ILE 33 Ca -0.17 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 1i11 h ILE 33 Cb 0.90 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 1i11 h ILE 33 CO -0.11 0.00 -0.03 0.28 -0.69 0.00 0.00 178.15 177.60 1i11 h SER 34 N 0.00 -0.16 0.83 1.72 0.02 -1.27 0.55 113.55 115.24 1i11 h SER 34 Ca 0.13 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1i11 h SER 34 Cb 1.06 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1i11 h SER 34 CO -0.00 -0.05 -0.15 0.07 -1.14 0.00 0.00 176.83 175.56 1i11 h LYS 35 N 0.03 0.00 0.19 3.45 5.09 -1.30 -1.46 116.57 122.57 1i11 h LYS 35 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.84 1i11 h LYS 35 Cb 0.16 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.49 1i11 h LYS 35 CO -0.21 0.15 -0.09 0.82 -2.09 0.00 0.00 179.45 178.02 1i11 h ILE 36 N 0.00 0.86 0.97 0.07 5.03 -0.63 -1.48 117.51 122.33 1i11 h ILE 36 Ca -0.00 -0.97 -0.05 0.00 -0.12 0.00 0.00 64.86 63.72 1i11 h ILE 36 Cb 0.60 1.38 0.01 0.00 -3.03 0.00 0.00 36.82 35.78 1i11 h ILE 36 CO 0.02 0.20 -0.47 -0.07 -0.68 0.00 0.00 178.15 177.14 1i11 h LEU 37 N -0.79 -1.12 -1.29 1.44 3.38 0.13 1.48 115.31 118.54 1i11 h LEU 37 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i11 h LEU 37 Cb 0.52 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1i11 h LEU 37 CO 0.04 -0.79 0.05 0.61 0.09 0.00 0.00 178.44 178.44 1i11 n GLY 38 N -1.65 -0.81 0.01 0.83 0.00 -0.56 0.21 105.19 103.21 1i11 n GLY 38 Ca -0.16 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.19 0.49 0.01 1.61 7.64 -0.55 -3.19 113.62 117.43 1i11 n SER 39 Ca -0.01 -0.23 -0.06 0.00 1.01 0.00 0.00 58.87 59.58 1i11 n SER 39 Cb 0.08 1.71 -0.12 0.00 -1.01 0.00 0.00 64.21 64.87 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 0.00 0.53 1.43 3.08 0.90 -3.00 114.38 117.32 1i11 h ARG 40 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1i11 h ARG 40 Cb 0.82 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.88 1i11 h ARG 40 CO 0.00 0.53 -0.26 2.35 -1.07 0.00 0.00 179.97 181.53 1i11 h TRP 41 N 0.00 -0.66 0.00 3.04 2.91 0.23 -2.66 115.95 118.81 1i11 h TRP 41 Ca -0.20 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1i11 h TRP 41 Cb 1.85 0.22 0.00 0.00 -0.51 0.00 0.00 29.16 30.72 1i11 h TRP 41 CO 0.00 -0.38 0.00 0.87 -1.03 0.00 0.00 178.44 177.90 1i11 h LYS 42 N -1.15 0.00 -0.19 2.65 1.57 -1.70 0.53 116.57 118.28 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 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 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 -2.02 2.48 -1.34 3.86 0.00 -1.03 -4.76 120.51 117.71 1i11 n ALA 43 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1i11 n ALA 43 Cb 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.05 1.38 0.00 0.00 2.81 0.19 -4.99 117.12 116.56 1i11 n MET 44 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1i11 n MET 44 Cb 0.18 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.69 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 -5.02 114.28 107.79 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 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.27 3.42 2.85 -1.26 -4.09 115.26 116.45 1i11 n ASN 46 Ca 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.64 1i11 n ASN 46 Cb 0.48 0.00 0.67 0.00 1.24 0.00 0.00 39.78 42.17 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 -0.05 1.20 -0.00 -2.03 -1.81 115.31 112.62 1i11 h LEU 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1i11 h LEU 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1i11 h LEU 47 CO 0.00 0.02 -0.00 1.21 -0.00 0.00 0.00 178.44 179.67 1i11 n GLU 48 N -3.12 0.91 -0.18 1.13 4.07 -1.26 -3.31 120.64 118.88 1i11 n GLU 48 Ca 0.01 -0.05 0.03 0.00 -0.06 0.00 0.00 57.16 57.08 1i11 n GLU 48 Cb 0.31 -1.50 0.10 0.00 -0.06 0.00 0.00 31.44 30.30 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1i11 n LYS 49 N -1.00 1.79 -0.11 5.31 4.01 -0.68 -4.26 118.16 123.22 1i11 n LYS 49 Ca 0.22 -0.82 -0.08 0.00 -0.51 0.00 0.00 58.31 57.11 1i11 n LYS 49 Cb 0.15 -1.43 -0.01 0.00 -0.51 0.00 0.00 35.03 33.24 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1i11 h GLN 50 N 1.18 0.49 0.05 1.97 4.20 -1.77 -1.40 115.11 119.82 1i11 h GLN 50 Ca 0.00 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1i11 h GLN 50 Cb 0.59 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1i11 h GLN 50 CO 0.07 0.34 -0.48 -1.00 -0.67 0.00 0.00 178.83 177.09 1i11 h PRO 51 N 0.49 0.25 0.00 1.46 0.13 -1.91 -2.95 132.00 129.47 1i11 h PRO 51 Ca 0.13 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1i11 h PRO 51 Cb -0.03 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1i11 h PRO 51 CO -0.03 1.08 0.00 0.66 -0.23 0.00 0.00 178.00 179.48 1i11 n TYR 52 N -4.33 0.21 -0.06 1.56 4.01 -1.23 -1.20 117.16 116.12 1i11 n TYR 52 Ca -0.11 0.09 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 1i11 n TYR 52 Cb 0.65 -0.64 -0.04 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.99 -1.20 -3.29 116.97 109.77 1i11 h TYR 53 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1i11 h TYR 53 Cb 0.19 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.92 1i11 h TYR 53 CO 0.00 0.31 -0.13 0.93 -0.00 0.00 0.00 178.16 179.27 1i11 h GLU 54 N -1.00 0.00 0.00 4.88 5.08 -1.37 -0.08 114.58 122.09 1i11 h GLU 54 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1i11 h GLU 54 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1i11 h GLU 54 CO -0.02 0.13 0.00 0.93 -1.00 0.00 0.00 179.01 179.05 1i11 h GLU 55 N 0.00 0.00 0.00 2.33 4.39 -1.27 -0.90 114.58 119.13 1i11 h GLU 55 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1i11 h GLU 55 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1i11 h GLU 55 CO 0.02 0.00 -0.50 -0.56 -1.16 0.00 0.00 179.01 176.81 1i11 h GLN 56 N 0.00 0.00 -0.11 2.33 3.07 -1.07 -3.03 115.11 116.30 1i11 h GLN 56 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.77 1i11 h GLN 56 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 1i11 h GLN 56 CO 0.00 0.77 0.09 0.00 0.09 0.00 0.00 178.83 179.78 1i11 h ALA 57 N -0.40 1.98 0.43 0.06 0.00 -1.43 -0.42 119.26 119.48 1i11 h ALA 57 Ca -0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1i11 h ALA 57 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1i11 h ALA 57 CO -0.07 -0.15 -0.21 0.00 0.00 0.00 0.00 179.25 178.82 1i11 h ARG 58 N 0.00 -0.56 -0.38 0.00 3.08 -1.26 0.12 114.38 115.39 1i11 h ARG 58 Ca 0.05 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.25 1i11 h ARG 58 Cb 0.23 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1i11 h ARG 58 CO -0.00 -0.37 0.35 1.37 -1.07 0.00 0.00 179.97 180.25 1i11 h LEU 59 N -1.00 0.00 -0.12 3.04 8.10 -1.37 0.81 115.31 124.78 1i11 h LEU 59 Ca -0.06 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.72 1i11 h LEU 59 Cb 0.44 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 1i11 h LEU 59 CO 0.10 0.00 -0.97 -1.28 -4.11 0.00 0.00 178.44 172.18 1i11 h SER 60 N 0.00 0.11 0.56 0.17 0.87 -0.97 -2.76 113.55 111.54 1i11 h SER 60 Ca 0.18 -0.11 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 1i11 h SER 60 Cb 0.88 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1i11 h SER 60 CO -0.00 1.01 -0.89 0.50 -0.53 0.00 0.00 176.83 176.92 1i11 h LYS 61 N 0.03 0.22 0.00 2.24 1.63 0.31 -2.99 116.57 118.01 1i11 h LYS 61 Ca -0.04 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.47 1i11 h LYS 61 Cb 1.67 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.37 1i11 h LYS 61 CO 0.14 0.98 -0.24 1.96 -3.45 0.00 0.00 179.45 178.83 1i11 h GLN 62 N 0.12 0.00 0.31 1.90 4.20 -0.05 -2.02 115.11 119.57 1i11 h GLN 62 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1i11 h GLN 62 Cb 1.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1i11 h GLN 62 CO 0.14 0.24 -0.15 1.25 -0.67 0.00 0.00 178.83 179.64 1i11 h HIS 63 N 0.00 -0.39 -0.53 2.96 2.76 -1.35 -3.02 115.15 115.59 1i11 h HIS 63 Ca -0.00 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1i11 h HIS 63 Cb 0.64 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 1i11 h HIS 63 CO 0.00 -0.24 0.32 -0.07 -1.30 0.00 0.00 177.93 176.64 1i11 h LEU 64 N -0.99 0.52 -2.15 0.26 3.38 -1.58 0.20 115.31 114.95 1i11 h LEU 64 Ca -0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1i11 h LEU 64 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1i11 h LEU 64 CO 0.07 0.36 0.29 1.05 0.09 0.00 0.00 178.44 180.31 1i11 h GLU 65 N 0.63 0.00 0.01 1.13 4.11 -1.48 0.25 114.58 119.23 1i11 h GLU 65 Ca 0.21 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.44 1i11 h GLU 65 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1i11 h GLU 65 CO -0.09 0.00 -0.93 0.87 0.07 0.00 0.00 179.01 178.93 1i11 h LYS 66 N 0.00 0.07 -4.15 1.06 1.79 -0.82 -3.40 116.57 111.13 1i11 h LYS 66 Ca 0.10 -0.10 -0.73 0.00 -2.18 0.00 0.00 60.65 57.75 1i11 h LYS 66 Cb 0.69 0.03 -0.30 0.00 -1.58 0.00 0.00 32.23 31.07 1i11 h LYS 66 CO -0.00 0.94 -0.34 0.71 -1.08 0.00 0.00 179.45 179.68 1i11 s TYR 67 N -2.99 3.47 -0.09 -1.35 1.51 0.87 -4.93 117.35 113.85 1i11 s TYR 67 Ca -0.01 -2.03 -0.03 0.00 -1.01 0.00 0.00 57.07 53.99 1i11 s TYR 67 Cb 0.10 -3.48 -0.01 0.00 -0.11 0.00 0.00 41.96 38.45 1i11 s TYR 67 CO 0.82 -0.97 0.11 -1.00 -1.11 0.00 0.00 175.55 173.40 1i11 h PRO 68 N 8.15 -0.09 -2.85 -1.71 0.13 -1.78 -3.36 132.00 130.50 1i11 h PRO 68 Ca -0.14 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.80 1i11 h PRO 68 Cb 1.05 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1i11 h PRO 68 CO 0.82 -0.06 0.93 -0.40 -0.23 0.00 0.00 178.00 179.06 1i11 n ASP 69 N -4.76 3.37 0.00 1.44 5.75 -1.26 -5.15 116.55 115.95 1i11 n ASP 69 Ca -0.01 -2.11 0.09 0.00 -0.01 0.00 0.00 54.79 52.75 1i11 n ASP 69 Cb 0.04 -0.85 0.54 0.00 -1.03 0.00 0.00 41.12 39.81 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09