#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 0.51 -1.31 6.00 1.44 -1.26 -4.72 115.22 115.88 1i11 n HIS 2 Ca 0.00 0.30 -0.23 0.00 -2.01 0.00 0.00 57.72 55.78 1i11 n HIS 2 Cb 0.00 -2.09 -0.04 0.00 0.12 0.00 0.00 29.99 27.97 1i11 n HIS 2 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1i11 n ILE 3 N 7.21 3.17 -0.88 0.61 5.41 -1.26 -4.78 119.36 128.84 1i11 n ILE 3 Ca 0.65 -2.56 -0.27 0.00 1.00 0.00 0.00 62.75 61.57 1i11 n ILE 3 Cb 0.07 -1.57 -0.02 0.00 -0.71 0.00 0.00 39.64 37.41 1i11 n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1i11 n LYS 4 N 0.88 2.19 -3.07 0.38 3.00 -1.26 -4.85 118.16 115.43 1i11 n LYS 4 Ca 0.44 -1.62 -0.42 0.00 -0.00 0.00 0.00 58.31 56.71 1i11 n LYS 4 Cb 0.59 -2.58 -0.06 0.00 0.00 0.00 0.00 35.03 32.98 1i11 n LYS 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1i11 s ARG 5 N 3.50 3.54 -1.32 1.64 1.70 -1.26 -4.97 118.95 121.78 1i11 s ARG 5 Ca 0.45 -0.05 -0.17 0.00 -0.47 0.00 0.00 55.73 55.48 1i11 s ARG 5 Cb 0.12 -3.86 0.07 0.00 -0.57 0.00 0.00 34.95 30.70 1i11 s ARG 5 CO -0.02 -0.88 1.80 -0.35 -1.08 0.00 0.00 175.30 174.78 1i11 n PRO 6 N 6.24 3.16 0.17 3.89 -0.04 -1.26 -4.72 135.00 142.44 1i11 n PRO 6 Ca -0.00 -3.20 0.05 0.00 -0.04 0.00 0.00 63.50 60.31 1i11 n PRO 6 Cb 0.48 -3.47 0.16 0.00 -0.04 0.00 0.00 33.50 30.63 1i11 n PRO 6 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1i11 h MET 7 N 7.37 0.00 -4.92 0.54 2.86 -1.98 -3.45 114.93 115.35 1i11 h MET 7 Ca 0.46 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.78 1i11 h MET 7 Cb 0.84 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.36 1i11 h MET 7 CO 1.51 0.37 -0.66 1.21 1.06 0.00 0.00 176.91 180.41 1i11 s ASN 8 N -6.37 1.45 0.02 1.22 2.47 -1.26 -4.99 114.94 107.47 1i11 s ASN 8 Ca 0.03 -1.20 0.10 0.00 0.42 0.00 0.00 52.86 52.22 1i11 s ASN 8 Cb 0.08 0.08 0.45 0.00 -1.45 0.00 0.00 41.25 40.41 1i11 s ASN 8 CO 0.71 -0.55 1.33 0.00 -3.72 0.00 0.00 177.10 174.87 1i11 n ALA 9 N -0.32 1.44 0.26 1.71 0.00 -1.26 -3.14 120.51 119.20 1i11 n ALA 9 Ca -0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1i11 n ALA 9 Cb 0.64 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.66 0.00 0.00 3.57 -1.94 2.44 116.94 120.35 1i11 h PHE 10 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i11 h PHE 10 Cb 0.17 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1i11 h PHE 10 CO 0.00 -0.38 0.00 0.52 -2.23 0.00 0.00 178.31 176.22 1i11 h MET 11 N -1.16 0.00 0.04 1.11 2.86 -1.94 2.60 114.93 118.44 1i11 h MET 11 Ca -0.07 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1i11 h MET 11 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1i11 h MET 11 CO 0.12 0.00 -0.58 0.28 1.06 0.00 0.00 176.91 177.79 1i11 h VAL 12 N 0.00 1.47 0.07 -2.22 2.07 -1.37 -2.52 116.25 113.75 1i11 h VAL 12 Ca 0.00 -2.35 -0.24 0.00 0.82 0.00 0.00 66.70 64.93 1i11 h VAL 12 Cb 0.06 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1i11 h VAL 12 CO 0.00 0.57 -1.11 -0.25 0.02 0.00 0.00 177.57 176.80 1i11 h TRP 13 N -0.81 0.33 0.00 1.57 7.01 0.54 -3.22 115.95 121.38 1i11 h TRP 13 Ca -0.14 -0.23 -0.05 0.00 2.11 0.00 0.00 58.89 60.59 1i11 h TRP 13 Cb 1.26 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.30 1i11 h TRP 13 CO 0.21 1.15 -0.22 0.00 -2.79 0.00 0.00 178.44 176.79 1i11 h ALA 14 N 0.76 0.96 0.00 2.65 0.00 0.43 0.15 119.26 124.21 1i11 h ALA 14 Ca -0.08 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1i11 h ALA 14 Cb 1.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1i11 h ALA 14 CO 0.17 0.28 -0.31 1.57 0.00 0.00 0.00 179.25 180.96 1i11 h LYS 15 N 0.00 0.00 0.01 0.00 2.10 -1.45 1.51 116.57 118.74 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 0.85 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.12 1i11 h LYS 15 CO 0.03 0.31 -2.09 -3.47 -2.00 0.00 0.00 179.45 172.23 1i11 n ASP 16 N -4.11 0.56 0.01 7.07 -0.08 -1.12 -2.71 116.55 116.17 1i11 n ASP 16 Ca -0.02 0.18 -0.06 0.00 -1.51 0.00 0.00 54.79 53.38 1i11 n ASP 16 Cb 0.36 0.40 0.14 0.00 2.34 0.00 0.00 41.12 44.36 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 0.49 0.00 -0.67 5.08 -0.54 1.81 114.58 120.76 1i11 h GLU 17 Ca -0.43 -0.24 -0.25 0.00 -1.00 0.00 0.00 59.36 57.44 1i11 h GLU 17 Cb 2.12 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.38 1i11 h GLU 17 CO 0.05 0.80 -1.00 0.07 -1.00 0.00 0.00 179.01 177.93 1i11 h ARG 18 N 0.41 0.56 -0.34 2.33 0.11 0.20 0.30 114.38 117.95 1i11 h ARG 18 Ca 0.04 -0.60 -0.12 0.00 0.10 0.00 0.00 59.98 59.40 1i11 h ARG 18 Cb 0.86 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 1i11 h ARG 18 CO 0.07 1.22 -0.28 0.07 0.10 0.00 0.00 179.97 181.15 1i11 h ARG 19 N 0.31 0.72 0.00 0.08 -0.00 -1.27 2.02 114.38 116.25 1i11 h ARG 19 Ca -0.11 -0.31 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 1i11 h ARG 19 Cb 1.64 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.59 1i11 h ARG 19 CO 0.19 0.92 0.00 -0.22 -0.00 0.00 0.00 179.97 180.85 1i11 h LYS 20 N 0.62 0.00 0.02 0.08 3.64 0.30 -2.94 116.57 118.28 1i11 h LYS 20 Ca 0.08 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.07 1i11 h LYS 20 Cb 0.79 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 1i11 h LYS 20 CO 0.07 0.00 -2.23 -0.89 -2.27 0.00 0.00 179.45 174.13 1i11 n ILE 21 N -2.95 1.55 -0.29 2.00 -0.00 0.10 -4.08 119.36 115.70 1i11 n ILE 21 Ca 0.02 -0.41 0.30 0.00 -0.00 0.00 0.00 62.75 62.66 1i11 n ILE 21 Cb 0.36 -1.77 0.67 0.00 -0.00 0.00 0.00 39.64 38.90 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 -0.59 0.14 -0.96 1.39 5.85 0.32 2.92 115.31 124.38 1i11 h LEU 22 Ca -0.57 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 1i11 h LEU 22 Cb 1.69 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 1i11 h LEU 22 CO -0.23 0.03 0.03 0.06 -0.34 0.00 0.00 178.44 177.98 1i11 h GLN 23 N 0.12 0.79 0.00 1.25 3.07 -1.68 1.96 115.11 120.62 1i11 h GLN 23 Ca 0.55 -0.20 -0.14 0.00 0.09 0.00 0.00 58.65 58.95 1i11 h GLN 23 Cb 1.92 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 29.36 1i11 h GLN 23 CO -0.10 0.78 -0.84 0.00 0.09 0.00 0.00 178.83 178.76 1i11 h ALA 24 N 1.29 0.63 -2.04 0.06 0.00 0.40 -3.38 119.26 116.22 1i11 h ALA 24 Ca 0.15 -0.63 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 1i11 h ALA 24 Cb 0.41 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.84 1i11 h ALA 24 CO 0.01 0.79 -1.09 1.19 0.00 0.00 0.00 179.25 180.15 1i11 n PHE 25 N -3.13 -0.45 0.59 0.00 3.72 0.72 -4.93 117.46 113.98 1i11 n PHE 25 Ca -0.02 -3.52 0.06 0.00 -0.05 0.00 0.00 57.45 53.92 1i11 n PHE 25 Cb 0.79 -0.26 0.31 0.00 -0.94 0.00 0.00 39.48 39.37 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 1.60 0.21 -0.09 -1.08 -0.04 0.65 -1.39 135.00 134.87 1i11 n PRO 26 Ca 0.22 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1i11 n PRO 26 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.22 0.46 -4.56 3.54 8.00 -1.26 -4.76 116.55 116.75 1i11 n ASP 27 Ca 0.06 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 1i11 n ASP 27 Cb 0.08 1.02 -0.06 0.00 -0.02 0.00 0.00 41.12 42.14 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 -2.51 1.94 0.00 -1.24 1.75 -0.49 -4.90 119.30 113.85 1i11 s MET 28 Ca -0.09 0.47 0.00 0.00 -1.25 0.00 0.00 55.69 54.82 1i11 s MET 28 Cb 0.06 -4.79 0.00 0.00 2.84 0.00 0.00 34.83 32.94 1i11 s MET 28 CO 0.76 -3.95 0.00 -2.39 -0.65 0.00 0.00 175.02 168.79 1i11 n HIS 29 N 16.91 -1.23 0.10 4.11 1.44 -1.26 -4.43 115.22 130.87 1i11 n HIS 29 Ca 0.42 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 56.09 1i11 n HIS 29 Cb 0.46 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1i11 h ASN 30 N -0.40 -0.24 -0.92 4.39 2.35 -1.98 -0.97 115.58 117.81 1i11 h ASN 30 Ca 0.00 0.01 0.27 0.00 -0.55 0.00 0.00 56.30 56.02 1i11 h ASN 30 Cb 0.00 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1i11 h ASN 30 CO 0.00 -0.07 1.12 -1.20 -1.65 0.00 0.00 177.43 175.62 1i11 n SER 31 N -3.33 0.00 -0.14 5.81 7.64 -1.26 -0.98 113.62 121.37 1i11 n SER 31 Ca -0.04 0.69 -0.29 0.00 1.01 0.00 0.00 58.87 60.25 1i11 n SER 31 Cb 0.11 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 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 -3.05 1.95 -0.09 6.43 2.85 -1.21 -4.30 115.26 117.84 1i11 n ASN 32 Ca 0.21 0.35 0.25 0.00 -0.11 0.00 0.00 54.58 55.27 1i11 n ASN 32 Cb 1.39 -0.83 0.71 0.00 1.24 0.00 0.00 39.78 42.30 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1i11 h ILE 33 N -1.00 0.59 -0.19 -1.44 1.08 0.37 0.50 117.51 117.43 1i11 h ILE 33 Ca -0.66 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 1i11 h ILE 33 Cb 1.57 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 1i11 h ILE 33 CO -0.40 0.00 -0.09 -1.28 -0.69 0.00 0.00 178.15 175.69 1i11 h SER 34 N 0.00 -0.30 0.37 1.72 0.87 -1.32 1.29 113.55 116.18 1i11 h SER 34 Ca 0.34 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.93 1i11 h SER 34 Cb 1.40 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 1i11 h SER 34 CO -0.00 -0.12 -0.22 0.11 -0.53 0.00 0.00 176.83 176.07 1i11 h LYS 35 N -0.07 0.00 0.28 2.24 1.79 -1.11 0.11 116.57 119.81 1i11 h LYS 35 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1i11 h LYS 35 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1i11 h LYS 35 CO -0.23 0.22 -0.13 0.82 -1.08 0.00 0.00 179.45 179.04 1i11 h ILE 36 N 0.00 0.59 0.52 1.86 5.03 -0.02 -0.87 117.51 124.62 1i11 h ILE 36 Ca -0.00 -0.84 -0.02 0.00 -0.12 0.00 0.00 64.86 63.88 1i11 h ILE 36 Cb 0.46 0.95 -0.02 0.00 -3.03 0.00 0.00 36.82 35.18 1i11 h ILE 36 CO 0.03 0.14 -0.48 -0.07 -0.68 0.00 0.00 178.15 177.08 1i11 h LEU 37 N -0.91 -1.31 -0.81 1.44 3.38 0.18 1.71 115.31 118.99 1i11 h LEU 37 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i11 h LEU 37 Cb 0.51 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1i11 h LEU 37 CO 0.06 -0.65 0.09 0.61 0.09 0.00 0.00 178.44 178.64 1i11 n GLY 38 N -1.55 -0.66 0.01 0.83 0.00 0.37 0.21 105.19 104.41 1i11 n GLY 38 Ca -0.12 0.11 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 -1.92 0.42 0.00 1.61 2.88 0.34 -3.12 113.62 113.83 1i11 n SER 39 Ca -0.01 -0.15 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 1i11 n SER 39 Cb 0.11 1.79 -0.14 0.00 -0.75 0.00 0.00 64.21 65.22 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 0.03 0.65 -1.46 2.47 1.19 -2.93 114.38 114.33 1i11 h ARG 40 Ca 0.00 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1i11 h ARG 40 Cb 0.86 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.21 1i11 h ARG 40 CO 0.00 0.67 -0.31 2.35 0.56 0.00 0.00 179.97 183.24 1i11 h TRP 41 N 0.01 -0.80 0.00 3.04 2.91 0.24 -2.29 115.95 119.05 1i11 h TRP 41 Ca -0.24 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.76 1i11 h TRP 41 Cb 1.97 0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 30.88 1i11 h TRP 41 CO 0.01 -0.49 -0.01 0.87 -1.03 0.00 0.00 178.44 177.78 1i11 h LYS 42 N -1.22 0.00 -0.66 2.65 1.79 -1.70 0.30 116.57 117.72 1i11 h LYS 42 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1i11 h LYS 42 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1i11 h LYS 42 CO 0.15 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 1i11 n ALA 43 N -2.16 2.93 -2.24 3.86 0.00 -1.04 -4.87 120.51 116.99 1i11 n ALA 43 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1i11 n ALA 43 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.37 3.03 -4.02 0.00 0.00 0.10 -4.95 117.12 111.65 1i11 n MET 44 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.51 1i11 n MET 44 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.64 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 1.75 2.28 0.25 3.17 -4.23 -1.26 -4.96 115.64 112.64 1i11 s THR 45 Ca 0.00 -2.21 0.20 0.00 -1.18 0.00 0.00 61.69 58.51 1i11 s THR 45 Cb 0.00 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.52 1i11 s THR 45 CO 0.00 -0.49 0.83 -3.20 -0.54 0.00 0.00 174.62 171.22 1i11 n ASN 46 N 4.29 0.08 0.17 3.99 5.15 -1.26 0.39 115.26 128.07 1i11 n ASN 46 Ca 0.00 0.68 0.02 0.00 -0.60 0.00 0.00 54.58 54.68 1i11 n ASN 46 Cb 0.42 -0.33 0.37 0.00 -0.53 0.00 0.00 39.78 39.71 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1i11 h LEU 47 N 0.00 0.06 0.00 1.20 6.46 -2.03 -1.34 115.31 119.66 1i11 h LEU 47 Ca 0.48 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.22 1i11 h LEU 47 Cb 1.67 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 1i11 h LEU 47 CO -0.17 0.37 0.00 1.21 -0.62 0.00 0.00 178.44 179.23 1i11 n GLU 48 N -4.16 0.44 0.03 1.25 4.07 1.27 -2.59 120.64 120.95 1i11 n GLU 48 Ca -0.02 0.05 0.13 0.00 -0.06 0.00 0.00 57.16 57.26 1i11 n GLU 48 Cb 0.37 -1.50 0.34 0.00 -0.06 0.00 0.00 31.44 30.59 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 -1.13 0.11 -0.18 5.31 5.02 -0.51 -4.00 118.16 122.78 1i11 n LYS 49 Ca 0.12 0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.39 1i11 n LYS 49 Cb 0.10 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.00 0.71 0.04 1.97 4.20 -1.66 -1.80 115.11 118.56 1i11 h GLN 50 Ca 0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1i11 h GLN 50 Cb 0.60 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1i11 h GLN 50 CO 0.00 0.49 -0.46 -1.00 -0.67 0.00 0.00 178.83 177.19 1i11 h PRO 51 N 0.72 0.24 0.00 1.46 0.13 -1.83 -3.13 132.00 129.60 1i11 h PRO 51 Ca 0.19 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1i11 h PRO 51 Cb -0.06 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1i11 h PRO 51 CO -0.04 1.07 0.00 0.66 -0.23 0.00 0.00 178.00 179.46 1i11 n TYR 52 N -4.34 0.20 0.04 1.56 4.01 -1.22 -1.98 117.16 115.43 1i11 n TYR 52 Ca -0.11 0.09 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1i11 n TYR 52 Cb 0.63 -0.64 -0.14 0.00 -0.31 0.00 0.00 39.34 38.87 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 0.51 -0.44 -0.72 -1.99 -1.27 -3.23 116.97 109.83 1i11 h TYR 53 Ca 0.00 -0.37 -0.14 0.00 2.00 0.00 0.00 58.73 60.22 1i11 h TYR 53 Cb 0.14 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1i11 h TYR 53 CO 0.00 1.35 -0.27 1.05 -0.00 0.00 0.00 178.16 180.29 1i11 h GLU 54 N -0.38 0.96 0.00 4.88 -0.00 -1.37 -2.21 114.58 116.45 1i11 h GLU 54 Ca -0.17 -0.44 0.00 0.00 -0.00 0.00 0.00 59.36 58.75 1i11 h GLU 54 Cb 1.65 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.38 1i11 h GLU 54 CO 0.13 1.10 0.00 -0.85 -0.00 0.00 0.00 179.01 179.39 1i11 n GLU 55 N -4.09 0.03 0.02 1.06 0.28 -1.03 -2.64 120.64 114.27 1i11 n GLU 55 Ca -0.01 0.36 -0.02 0.00 -0.16 0.00 0.00 57.16 57.33 1i11 n GLU 55 Cb 0.49 -1.56 -0.01 0.00 1.43 0.00 0.00 31.44 31.79 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 -0.14 -1.32 3.44 4.15 -1.41 -2.80 115.11 117.03 1i11 h GLN 56 Ca 0.00 0.01 0.38 0.00 0.77 0.00 0.00 58.65 59.81 1i11 h GLN 56 Cb 0.18 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 1i11 h GLN 56 CO 0.00 -0.10 0.93 0.00 -1.93 0.00 0.00 178.83 177.73 1i11 h ALA 57 N -1.16 3.06 0.47 3.38 0.00 -1.42 1.54 119.26 125.12 1i11 h ALA 57 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1i11 h ALA 57 Cb 0.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i11 h ALA 57 CO 0.02 -1.49 -0.22 0.00 0.00 0.00 0.00 179.25 177.56 1i11 h ARG 58 N 0.08 -0.60 0.00 0.00 2.47 -1.55 -2.17 114.38 112.61 1i11 h ARG 58 Ca 0.67 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.43 1i11 h ARG 58 Cb 2.45 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 30.91 1i11 h ARG 58 CO -0.11 -0.40 0.00 1.37 0.56 0.00 0.00 179.97 181.38 1i11 h LEU 59 N -1.14 0.00 -0.17 3.04 8.10 -0.78 -1.60 115.31 122.75 1i11 h LEU 59 Ca -0.06 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.87 1i11 h LEU 59 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1i11 h LEU 59 CO 0.11 0.00 -0.27 -1.28 -4.11 0.00 0.00 178.44 172.89 1i11 h SER 60 N 0.00 0.00 0.04 0.17 0.87 0.21 -2.94 113.55 111.90 1i11 h SER 60 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1i11 h SER 60 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1i11 h SER 60 CO 0.00 0.27 -0.02 0.50 -0.53 0.00 0.00 176.83 177.05 1i11 h LYS 61 N 0.00 -0.05 -0.08 2.24 1.63 -0.61 -2.31 116.57 117.39 1i11 h LYS 61 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1i11 h LYS 61 Cb 1.14 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1i11 h LYS 61 CO 0.03 0.61 0.04 -0.56 -3.45 0.00 0.00 179.45 176.13 1i11 h GLN 62 N -0.85 0.10 0.00 1.90 3.07 -1.62 -0.75 115.11 116.96 1i11 h GLN 62 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1i11 h GLN 62 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1i11 h GLN 62 CO 0.01 0.08 0.00 1.58 0.09 0.00 0.00 178.83 180.59 1i11 n HIS 63 N -4.52 0.00 -0.37 0.06 -0.00 -1.11 -3.73 115.22 105.55 1i11 n HIS 63 Ca -0.02 0.00 0.31 0.00 0.46 0.00 0.00 57.72 58.47 1i11 n HIS 63 Cb 0.09 -0.43 0.63 0.00 -0.12 0.00 0.00 29.99 30.16 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 0.24 -2.24 0.27 4.07 -1.44 1.15 115.31 117.38 1i11 h LEU 64 Ca 0.00 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.04 1i11 h LEU 64 Cb 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1i11 h LEU 64 CO 0.00 -0.00 0.26 -0.33 -1.08 0.00 0.00 178.44 177.28 1i11 h GLU 65 N 0.19 0.00 0.00 1.13 4.39 -1.21 -2.62 114.58 116.45 1i11 h GLU 65 Ca 0.65 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 60.12 1i11 h GLU 65 Cb 2.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.69 1i11 h GLU 65 CO -0.22 0.00 -1.88 1.63 -1.16 0.00 0.00 179.01 177.38 1i11 n LYS 66 N -3.04 0.38 -3.77 2.33 5.02 0.39 -4.87 118.16 114.61 1i11 n LYS 66 Ca -0.01 0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 56.08 1i11 n LYS 66 Cb 0.32 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 33.91 1i11 n LYS 66 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1i11 s TYR 67 N -2.31 2.36 0.00 2.13 2.02 -0.74 -4.98 117.35 115.82 1i11 s TYR 67 Ca -0.21 -2.67 0.00 0.00 -0.37 0.00 0.00 57.07 53.82 1i11 s TYR 67 Cb 0.06 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1i11 s TYR 67 CO 0.35 -0.75 0.01 -0.35 -1.57 0.00 0.00 175.55 173.23 1i11 n PRO 68 N 3.28 0.00 0.00 -1.71 -0.04 -1.16 -4.47 135.00 130.89 1i11 n PRO 68 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1i11 n PRO 68 Cb 0.35 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 1i11 n PRO 68 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 69 N -0.37 0.00 0.00 3.54 2.03 -1.26 -5.07 116.55 115.42 1i11 n ASP 69 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1i11 n ASP 69 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1i11 n ASP 69 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06