#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 -0.44 -3.23 0.54 -0.00 -1.26 -5.10 115.22 105.74 1i11 n HIS 2 Ca 0.00 -0.60 -0.22 0.00 -0.00 0.00 0.00 57.72 56.90 1i11 n HIS 2 Cb 0.00 1.06 -0.07 0.00 -0.00 0.00 0.00 29.99 30.97 1i11 n HIS 2 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 1i11 n ILE 3 N 2.50 -0.91 -1.24 3.57 -5.35 -1.26 -5.02 119.36 111.65 1i11 n ILE 3 Ca 0.10 -2.96 -0.41 0.00 -0.27 0.00 0.00 62.75 59.21 1i11 n ILE 3 Cb 0.66 -1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 37.41 1i11 n ILE 3 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1i11 n LYS 4 N 2.69 1.37 -2.24 6.28 5.02 -1.26 -4.89 118.16 125.14 1i11 n LYS 4 Ca 0.26 -1.86 -0.42 0.00 -2.02 0.00 0.00 58.31 54.26 1i11 n LYS 4 Cb 0.50 -3.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.47 1i11 n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1i11 s ARG 5 N 5.44 4.23 -0.95 1.97 0.52 -1.26 -4.93 118.95 123.97 1i11 s ARG 5 Ca 0.60 1.91 -0.24 0.00 -0.52 0.00 0.00 55.73 57.49 1i11 s ARG 5 Cb 0.12 -3.78 0.03 0.00 0.52 0.00 0.00 34.95 31.84 1i11 s ARG 5 CO 0.14 -0.71 1.51 -1.25 0.02 0.00 0.00 175.30 175.01 1i11 s PRO 6 N 3.35 3.36 -0.02 3.54 0.04 -1.26 -4.69 135.00 139.32 1i11 s PRO 6 Ca 0.63 -0.82 0.17 0.00 0.04 0.00 0.00 61.00 61.02 1i11 s PRO 6 Cb -0.28 -5.11 -0.24 0.00 0.04 0.00 0.00 34.50 28.91 1i11 s PRO 6 CO 0.23 -2.38 0.42 -1.33 0.04 0.00 0.00 177.00 173.98 1i11 n MET 7 N 8.97 0.70 -5.07 4.56 2.81 -1.26 -4.71 117.12 123.12 1i11 n MET 7 Ca 0.29 -0.13 -0.31 0.00 -1.81 0.00 0.00 57.70 55.75 1i11 n MET 7 Cb 0.50 -1.37 -0.15 0.00 -0.71 0.00 0.00 33.22 31.49 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 -3.68 3.18 0.25 7.83 2.20 -1.26 -4.98 114.94 118.48 1i11 s ASN 8 Ca -0.04 -0.51 0.20 0.00 -0.94 0.00 0.00 52.86 51.57 1i11 s ASN 8 Cb 0.11 -0.35 0.96 0.00 -2.00 0.00 0.00 41.25 39.97 1i11 s ASN 8 CO 0.68 0.29 1.62 0.00 -2.94 0.00 0.00 177.10 176.76 1i11 n ALA 9 N 2.08 1.38 0.24 3.54 0.00 -1.26 -2.44 120.51 124.04 1i11 n ALA 9 Ca -0.16 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1i11 n ALA 9 Cb 0.52 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1i11 n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1i11 h PHE 10 N 0.00 -0.61 0.00 0.00 3.57 -1.93 2.18 116.94 120.15 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 0.19 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1i11 h PHE 10 CO 0.00 -0.36 0.00 0.52 -2.23 0.00 0.00 178.31 176.24 1i11 h MET 11 N -1.16 0.00 0.06 1.11 2.86 -1.90 2.67 114.93 118.56 1i11 h MET 11 Ca -0.07 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 1i11 h MET 11 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1i11 h MET 11 CO 0.11 0.00 -0.80 0.28 1.06 0.00 0.00 176.91 177.56 1i11 h VAL 12 N 0.00 1.35 0.15 -2.22 2.07 -1.08 -2.32 116.25 114.21 1i11 h VAL 12 Ca 0.00 -2.36 -0.29 0.00 0.82 0.00 0.00 66.70 64.87 1i11 h VAL 12 Cb 0.06 2.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1i11 h VAL 12 CO 0.00 0.59 -1.28 -0.25 0.02 0.00 0.00 177.57 176.65 1i11 h TRP 13 N -0.70 0.61 0.00 1.57 7.01 0.51 -3.24 115.95 121.72 1i11 h TRP 13 Ca -0.18 -0.44 -0.03 0.00 2.11 0.00 0.00 58.89 60.34 1i11 h TRP 13 Cb 1.39 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.42 1i11 h TRP 13 CO 0.18 1.34 -0.14 0.00 -2.79 0.00 0.00 178.44 177.03 1i11 h ALA 14 N 0.49 0.98 0.00 2.65 0.00 0.45 -1.86 119.26 121.96 1i11 h ALA 14 Ca -0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1i11 h ALA 14 Cb 2.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1i11 h ALA 14 CO 0.22 0.18 -0.23 1.57 0.00 0.00 0.00 179.25 180.99 1i11 h LYS 15 N 0.00 0.00 0.00 0.00 2.10 -1.44 1.77 116.57 119.01 1i11 h LYS 15 Ca -0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 1i11 h LYS 15 Cb 0.79 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.07 1i11 h LYS 15 CO 0.02 0.23 -1.90 -3.47 -2.00 0.00 0.00 179.45 172.33 1i11 n ASP 16 N -3.74 0.53 -0.00 7.07 -0.08 -1.10 -2.70 116.55 116.53 1i11 n ASP 16 Ca -0.01 0.25 -0.15 0.00 -1.51 0.00 0.00 54.79 53.36 1i11 n ASP 16 Cb 0.34 0.44 -0.04 0.00 2.34 0.00 0.00 41.12 44.21 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 0.68 -0.36 -0.67 4.39 -0.69 2.06 114.58 119.99 1i11 h GLU 17 Ca -0.34 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 58.79 1i11 h GLU 17 Cb 1.97 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.71 1i11 h GLU 17 CO 0.05 1.16 0.12 0.00 -1.16 0.00 0.00 179.01 179.18 1i11 h ARG 18 N 0.47 0.56 -0.36 2.33 2.47 0.26 1.44 114.38 121.55 1i11 h ARG 18 Ca -0.04 -0.12 -0.12 0.00 -1.26 0.00 0.00 59.98 58.44 1i11 h ARG 18 Cb 1.35 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1i11 h ARG 18 CO 0.15 0.58 -0.28 0.07 0.56 0.00 0.00 179.97 181.05 1i11 h ARG 19 N 0.44 0.76 0.00 0.04 -0.00 -1.32 2.42 114.38 116.72 1i11 h ARG 19 Ca 0.12 -0.33 -0.06 0.00 -0.00 0.00 0.00 59.98 59.71 1i11 h ARG 19 Cb 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.19 1i11 h ARG 19 CO -0.00 0.95 -0.28 -0.22 -0.00 0.00 0.00 179.97 180.41 1i11 h LYS 20 N 0.65 0.00 0.01 0.08 3.64 0.42 -2.88 116.57 118.49 1i11 h LYS 20 Ca 0.08 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.05 1i11 h LYS 20 Cb 0.80 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1i11 h LYS 20 CO 0.07 0.28 -2.29 -0.89 -2.27 0.00 0.00 179.45 174.35 1i11 n ILE 21 N -3.40 1.54 -0.29 2.00 -0.00 0.48 -4.15 119.36 115.55 1i11 n ILE 21 Ca 0.00 -0.39 0.31 0.00 -0.00 0.00 0.00 62.75 62.67 1i11 n ILE 21 Cb 0.48 -1.79 0.70 0.00 -0.00 0.00 0.00 39.64 39.03 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 -0.68 0.09 -0.88 1.39 5.85 0.40 2.43 115.31 123.92 1i11 h LEU 22 Ca -0.60 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.09 1i11 h LEU 22 Cb 1.67 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1i11 h LEU 22 CO -0.28 0.02 0.30 0.06 -0.34 0.00 0.00 178.44 178.20 1i11 h GLN 23 N 0.08 1.12 0.00 1.25 3.07 -1.67 1.01 115.11 119.96 1i11 h GLN 23 Ca 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 59.08 1i11 h GLN 23 Cb 1.98 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 29.36 1i11 h GLN 23 CO -0.07 0.91 -0.53 0.00 0.09 0.00 0.00 178.83 179.24 1i11 n ALA 24 N -2.44 3.00 -2.77 0.06 0.00 0.71 -4.54 120.51 114.54 1i11 n ALA 24 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1i11 n ALA 24 Cb 0.19 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.94 -3.27 0.85 0.00 3.72 0.46 -4.96 117.46 112.32 1i11 n PHE 25 Ca 0.04 -1.80 0.09 0.00 -0.05 0.00 0.00 57.45 55.73 1i11 n PHE 25 Cb 0.41 1.50 0.45 0.00 -0.94 0.00 0.00 39.48 40.91 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 1.67 0.25 -0.07 -1.08 -0.04 0.34 -2.27 135.00 133.79 1i11 n PRO 26 Ca 0.10 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1i11 n PRO 26 Cb 0.63 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.29 1.29 0.03 3.54 8.00 -1.26 -4.28 116.55 122.57 1i11 n ASP 27 Ca 0.08 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.61 1i11 n ASP 27 Cb 0.15 0.95 0.14 0.00 -0.02 0.00 0.00 41.12 42.34 1i11 n ASP 27 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1i11 n MET 28 N -2.51 0.02 -0.21 -1.24 1.56 -0.96 -2.91 117.12 110.87 1i11 n MET 28 Ca -0.23 0.47 -0.01 0.00 -0.27 0.00 0.00 57.70 57.67 1i11 n MET 28 Cb 0.94 -1.57 0.10 0.00 2.15 0.00 0.00 33.22 34.84 1i11 n MET 28 CO 0.00 0.00 0.00 1.12 -0.73 0.00 0.00 175.97 176.36 1i11 h HIS 29 N 0.00 0.49 0.00 1.12 2.07 -1.74 -2.99 115.15 114.10 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 0.05 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 29.91 1i11 h HIS 29 CO 0.00 0.17 0.00 -1.71 -3.07 0.00 0.00 177.93 173.32 1i11 n ASN 30 N -4.92 0.00 -2.74 3.10 2.85 -1.15 0.26 115.26 112.66 1i11 n ASN 30 Ca 0.08 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.46 1i11 n ASN 30 Cb 0.24 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.24 1i11 n ASN 30 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1i11 n SER 31 N 0.00 -1.07 -0.07 1.20 2.88 -1.26 -4.65 113.62 110.65 1i11 n SER 31 Ca 0.00 0.07 -0.14 0.00 -1.33 0.00 0.00 58.87 57.47 1i11 n SER 31 Cb 0.00 -1.02 -0.05 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 -1.52 1.23 -0.31 -3.46 3.02 0.73 -4.59 115.26 110.37 1i11 n ASN 32 Ca 0.03 0.14 0.21 0.00 -0.03 0.00 0.00 54.58 54.92 1i11 n ASN 32 Cb 0.43 -0.38 0.48 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.43 0.59 -0.91 2.41 1.08 -1.40 0.39 117.51 119.24 1i11 h ILE 33 Ca -0.34 -0.15 0.22 0.00 -0.39 0.00 0.00 64.86 64.20 1i11 h ILE 33 Cb 1.32 0.10 -0.12 0.00 -3.07 0.00 0.00 36.82 35.05 1i11 h ILE 33 CO -0.19 0.08 0.43 0.28 -0.69 0.00 0.00 178.15 178.06 1i11 h SER 34 N 0.45 0.40 0.93 1.72 0.02 -1.83 2.33 113.55 117.57 1i11 h SER 34 Ca 0.56 0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.59 1i11 h SER 34 Cb 1.35 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 1i11 h SER 34 CO -0.28 0.03 -0.32 0.11 -1.14 0.00 0.00 176.83 175.23 1i11 h LYS 35 N 0.44 0.00 0.16 3.45 1.79 -0.50 0.18 116.57 122.09 1i11 h LYS 35 Ca 0.56 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.03 1i11 h LYS 35 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1i11 h LYS 35 CO -0.51 0.32 -0.08 0.82 -1.08 0.00 0.00 179.45 178.93 1i11 h ILE 36 N 0.00 0.79 0.67 1.86 5.03 0.38 -1.51 117.51 124.73 1i11 h ILE 36 Ca -0.00 -1.16 -0.03 0.00 -0.12 0.00 0.00 64.86 63.55 1i11 h ILE 36 Cb 0.88 1.35 -0.00 0.00 -3.03 0.00 0.00 36.82 36.02 1i11 h ILE 36 CO 0.04 0.21 -0.38 -0.07 -0.68 0.00 0.00 178.15 177.27 1i11 h LEU 37 N -0.90 -0.96 -1.09 1.44 3.38 0.96 1.09 115.31 119.23 1i11 h LEU 37 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i11 h LEU 37 Cb 0.51 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1i11 h LEU 37 CO 0.04 -0.61 0.12 0.61 0.09 0.00 0.00 178.44 178.69 1i11 n GLY 38 N -1.50 -0.73 0.01 0.83 0.00 0.04 0.22 105.19 104.06 1i11 n GLY 38 Ca -0.12 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.10 0.58 -0.01 1.61 2.88 -0.57 -3.12 113.62 112.89 1i11 n SER 39 Ca -0.01 -0.26 -0.08 0.00 -1.33 0.00 0.00 58.87 57.19 1i11 n SER 39 Cb 0.15 1.66 -0.13 0.00 -0.75 0.00 0.00 64.21 65.13 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 0.00 0.53 -1.46 3.08 1.00 -3.03 114.38 114.49 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 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1i11 h ARG 40 CO 0.00 0.55 -0.25 2.35 -1.07 0.00 0.00 179.97 181.55 1i11 h TRP 41 N 0.00 -0.65 0.00 3.04 2.91 0.25 -2.44 115.95 119.05 1i11 h TRP 41 Ca -0.24 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.77 1i11 h TRP 41 Cb 1.95 0.22 0.00 0.00 -0.51 0.00 0.00 29.16 30.82 1i11 h TRP 41 CO 0.00 -0.39 0.00 0.87 -1.03 0.00 0.00 178.44 177.89 1i11 h LYS 42 N -1.17 0.00 -0.20 2.65 1.57 -1.71 0.47 116.57 118.18 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 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1i11 n ALA 43 N -1.98 2.50 -1.00 3.86 0.00 -1.08 -4.80 120.51 118.02 1i11 n ALA 43 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1i11 n ALA 43 Cb 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.28 0.90 0.00 0.00 2.81 0.17 -4.99 117.12 116.28 1i11 n MET 44 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1i11 n MET 44 Cb 0.29 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 1i11 n MET 44 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1i11 n THR 45 N 0.00 0.00 0.00 2.03 5.66 -1.26 -5.03 114.28 115.68 1i11 n THR 45 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1i11 n THR 45 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1i11 n THR 45 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1i11 n ASN 46 N -0.23 0.00 0.11 1.09 4.13 -1.26 -4.71 115.26 114.39 1i11 n ASN 46 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1i11 n ASN 46 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1i11 n ASN 46 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1i11 h LEU 47 N 0.00 0.00 0.00 3.41 -0.00 -2.00 -2.20 115.31 114.52 1i11 h LEU 47 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1i11 h LEU 47 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1i11 h LEU 47 CO 0.00 0.68 -0.68 -0.08 -0.00 0.00 0.00 178.44 178.35 1i11 h GLU 48 N 0.00 0.00 0.00 1.13 4.57 -1.96 -3.21 114.58 115.10 1i11 h GLU 48 Ca -0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1i11 h GLU 48 Cb 1.51 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.09 1i11 h GLU 48 CO 0.09 0.39 -0.56 0.87 -1.18 0.00 0.00 179.01 178.61 1i11 h LYS 49 N 0.00 0.00 -0.73 1.92 1.57 -1.88 -3.34 116.57 114.11 1i11 h LYS 49 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1i11 h LYS 49 Cb 1.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1i11 h LYS 49 CO 0.05 0.56 0.46 1.96 -0.57 0.00 0.00 179.45 181.92 1i11 h GLN 50 N 0.00 0.98 0.00 3.15 4.20 -1.40 -2.81 115.11 119.23 1i11 h GLN 50 Ca -0.01 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1i11 h GLN 50 Cb 1.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1i11 h GLN 50 CO 0.07 0.67 -0.25 -1.00 -0.67 0.00 0.00 178.83 177.66 1i11 h PRO 51 N 1.00 0.00 -0.00 1.46 0.13 -1.72 -2.27 132.00 130.59 1i11 h PRO 51 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1i11 h PRO 51 Cb -0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.06 1i11 h PRO 51 CO -0.05 0.25 -0.00 0.66 -0.23 0.00 0.00 178.00 178.63 1i11 n TYR 52 N -3.34 0.00 0.02 1.56 4.01 -1.07 -3.23 117.16 115.12 1i11 n TYR 52 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 1i11 n TYR 52 Cb 0.48 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.08 0.45 -0.13 -0.72 3.20 -1.37 -3.24 116.97 115.24 1i11 h TYR 53 Ca 0.00 -0.33 -0.04 0.00 3.14 0.00 0.00 58.73 61.49 1i11 h TYR 53 Cb 0.03 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1i11 h TYR 53 CO 0.00 1.42 -0.09 0.93 -1.64 0.00 0.00 178.16 178.78 1i11 h GLU 54 N -0.39 0.29 0.00 1.82 4.39 -1.65 -2.52 114.58 116.52 1i11 h GLU 54 Ca -0.22 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1i11 h GLU 54 Cb 1.66 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1i11 h GLU 54 CO 0.09 0.65 0.00 -0.85 -1.16 0.00 0.00 179.01 177.74 1i11 n GLU 55 N -4.64 0.10 0.07 2.33 0.28 -1.21 -1.81 120.64 115.76 1i11 n GLU 55 Ca -0.06 0.60 -0.07 0.00 -0.16 0.00 0.00 57.16 57.47 1i11 n GLU 55 Cb 0.31 -1.85 -0.04 0.00 1.43 0.00 0.00 31.44 31.30 1i11 n GLU 55 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1i11 h GLN 56 N 0.00 -0.26 -1.13 3.44 4.15 -1.48 -1.02 115.11 118.81 1i11 h GLN 56 Ca 0.00 0.02 0.32 0.00 0.77 0.00 0.00 58.65 59.76 1i11 h GLN 56 Cb 0.00 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 27.65 1i11 h GLN 56 CO 0.00 -0.04 0.73 0.00 -1.93 0.00 0.00 178.83 177.60 1i11 h ALA 57 N -0.84 2.42 0.48 3.38 0.00 -1.29 0.71 119.26 124.13 1i11 h ALA 57 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1i11 h ALA 57 Cb 0.35 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i11 h ALA 57 CO 0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 179.25 178.17 1i11 h ARG 58 N 0.28 -0.62 0.00 0.00 3.08 -1.43 -2.90 114.38 112.79 1i11 h ARG 58 Ca 0.66 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.75 1i11 h ARG 58 Cb 1.87 0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.06 1i11 h ARG 58 CO -0.32 -0.38 0.00 1.47 -1.07 0.00 0.00 179.97 179.67 1i11 n LEU 59 N -5.21 0.00 -0.00 3.04 -0.00 -0.19 -1.57 117.00 113.07 1i11 n LEU 59 Ca -0.09 0.49 -0.17 0.00 -0.00 0.00 0.00 56.01 56.24 1i11 n LEU 59 Cb 0.27 -0.49 -0.11 0.00 -0.00 0.00 0.00 43.42 43.10 1i11 n LEU 59 CO 0.22 -0.43 0.29 -1.28 -0.00 0.00 0.00 177.39 176.19 1i11 h SER 60 N 0.00 0.49 0.42 1.45 0.87 0.55 -1.09 113.55 116.24 1i11 h SER 60 Ca 0.00 -0.75 -0.09 0.00 -1.23 0.00 0.00 61.79 59.72 1i11 h SER 60 Cb 0.06 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1i11 h SER 60 CO 0.00 1.17 -0.43 0.50 -0.53 0.00 0.00 176.83 177.55 1i11 h LYS 61 N -0.14 0.01 0.00 2.24 1.63 -1.19 -2.49 116.57 116.62 1i11 h LYS 61 Ca -0.06 -0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 1i11 h LYS 61 Cb 1.24 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 1i11 h LYS 61 CO 0.11 0.43 -0.62 1.96 -3.45 0.00 0.00 179.45 177.88 1i11 h GLN 62 N 0.00 0.00 0.56 1.90 1.08 -1.37 -3.04 115.11 114.23 1i11 h GLN 62 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1i11 h GLN 62 Cb 0.76 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1i11 h GLN 62 CO 0.06 0.62 -0.27 1.25 -0.95 0.00 0.00 178.83 179.54 1i11 h HIS 63 N 0.00 -0.69 -0.87 2.96 2.76 -0.73 -1.00 115.15 117.59 1i11 h HIS 63 Ca -0.01 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.32 1i11 h HIS 63 Cb 1.25 0.23 -0.10 0.00 1.55 0.00 0.00 27.41 30.34 1i11 h HIS 63 CO 0.00 -0.43 0.43 -0.07 -1.30 0.00 0.00 177.93 176.56 1i11 h LEU 64 N -0.96 0.47 0.00 0.26 3.38 -1.65 1.49 115.31 118.31 1i11 h LEU 64 Ca -0.08 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i11 h LEU 64 Cb 0.57 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1i11 h LEU 64 CO 0.13 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 1i11 n GLU 65 N -4.92 0.06 0.05 1.13 1.02 -1.15 -2.54 120.64 114.29 1i11 n GLU 65 Ca 0.19 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1i11 n GLU 65 Cb 0.51 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.12 -2.36 3.49 1.57 0.35 -3.39 116.57 116.35 1i11 h LYS 66 Ca 0.00 -0.21 -0.60 0.00 -1.87 0.00 0.00 60.65 57.98 1i11 h LYS 66 Cb 0.21 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 32.18 1i11 h LYS 66 CO 0.00 0.98 -0.67 2.48 -0.57 0.00 0.00 179.45 181.66 1i11 n TYR 67 N -3.35 2.86 -0.00 -1.35 4.11 -1.05 -4.91 117.16 113.46 1i11 n TYR 67 Ca -0.10 -4.08 -0.00 0.00 -0.00 0.00 0.00 57.90 53.72 1i11 n TYR 67 Cb 1.01 -0.51 -0.00 0.00 -0.00 0.00 0.00 39.34 39.84 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 4.47 -0.01 -1.32 -3.48 0.13 -1.76 -3.35 132.00 126.67 1i11 h PRO 68 Ca 0.18 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 1i11 h PRO 68 Cb 0.72 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.74 1i11 h PRO 68 CO 0.74 -0.01 0.30 -0.40 -0.23 0.00 0.00 178.00 178.40 1i11 n ASP 69 N -2.57 4.82 0.00 1.44 5.75 -1.26 -5.15 116.55 119.57 1i11 n ASP 69 Ca -0.00 -2.78 0.02 0.00 -0.01 0.00 0.00 54.79 52.01 1i11 n ASP 69 Cb 0.01 -0.86 0.09 0.00 -1.03 0.00 0.00 41.12 39.33 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09