#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 1.70 -3.98 0.54 -0.00 -1.26 -4.74 115.22 107.47 1i11 n HIS 2 Ca 0.00 -2.31 -0.35 0.00 0.46 0.00 0.00 57.72 55.52 1i11 n HIS 2 Cb 0.00 -1.76 -0.14 0.00 -0.12 0.00 0.00 29.99 27.97 1i11 n HIS 2 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1i11 s ILE 3 N -0.47 3.21 -0.40 3.57 1.01 -1.26 -4.99 121.20 121.87 1i11 s ILE 3 Ca 0.61 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 1i11 s ILE 3 Cb 0.28 -2.44 0.13 0.00 0.01 0.00 0.00 42.46 40.43 1i11 s ILE 3 CO -0.11 0.44 2.48 1.17 0.00 0.00 0.00 174.94 178.92 1i11 n LYS 4 N 4.69 2.16 -3.58 2.79 0.00 -1.26 -4.92 118.16 118.04 1i11 n LYS 4 Ca -0.18 -2.03 -0.23 0.00 0.00 0.00 0.00 58.31 55.86 1i11 n LYS 4 Cb 0.51 -1.94 -0.01 0.00 0.00 0.00 0.00 35.03 33.59 1i11 n LYS 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1i11 s ARG 5 N -1.75 3.47 0.00 1.64 1.81 -1.26 -5.10 118.95 117.76 1i11 s ARG 5 Ca 0.48 -0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 1i11 s ARG 5 Cb 0.33 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 1i11 s ARG 5 CO -0.13 0.25 0.00 -0.35 -0.68 0.00 0.00 175.30 174.39 1i11 n PRO 6 N -1.64 0.64 -4.59 3.54 -0.04 -1.26 -5.05 135.00 126.59 1i11 n PRO 6 Ca -0.06 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 1i11 n PRO 6 Cb 0.56 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 1i11 n PRO 6 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1i11 s MET 7 N -0.82 3.05 -0.22 0.54 -1.94 -1.26 -4.89 119.30 113.76 1i11 s MET 7 Ca 0.00 -0.56 -0.34 0.00 -1.71 0.00 0.00 55.69 53.08 1i11 s MET 7 Cb 0.00 -2.67 0.15 0.00 2.01 0.00 0.00 34.83 34.32 1i11 s MET 7 CO 0.00 0.51 1.25 1.21 -0.01 0.00 0.00 175.02 177.98 1i11 s ASN 8 N -0.39 -0.11 0.40 3.03 3.84 -1.26 -4.96 114.94 115.49 1i11 s ASN 8 Ca 0.06 0.03 0.08 0.00 0.21 0.00 0.00 52.86 53.23 1i11 s ASN 8 Cb -0.12 0.11 0.83 0.00 -0.55 0.00 0.00 41.25 41.52 1i11 s ASN 8 CO 0.02 -0.17 2.01 0.00 -2.79 0.00 0.00 177.10 176.18 1i11 h ALA 9 N 2.04 1.64 0.32 1.71 0.00 -1.86 0.67 119.26 123.77 1i11 h ALA 9 Ca -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1i11 h ALA 9 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1i11 h ALA 9 CO 0.22 0.29 -0.15 0.35 0.00 0.00 0.00 179.25 179.97 1i11 h PHE 10 N 0.46 -0.39 0.00 0.00 3.57 -1.93 1.45 116.94 120.10 1i11 h PHE 10 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1i11 h PHE 10 Cb 0.08 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1i11 h PHE 10 CO 0.00 -0.24 0.01 0.52 -2.23 0.00 0.00 178.31 176.37 1i11 h MET 11 N -0.79 0.00 0.09 1.11 2.86 -1.90 2.61 114.93 118.91 1i11 h MET 11 Ca -0.04 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 1i11 h MET 11 Cb 0.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1i11 h MET 11 CO 0.07 0.00 -0.76 0.28 1.06 0.00 0.00 176.91 177.56 1i11 h VAL 12 N 0.00 1.44 0.07 -2.22 2.07 0.55 -2.53 116.25 115.63 1i11 h VAL 12 Ca 0.00 -2.44 -0.25 0.00 0.82 0.00 0.00 66.70 64.84 1i11 h VAL 12 Cb 0.02 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1i11 h VAL 12 CO 0.00 0.66 -1.13 -0.25 0.02 0.00 0.00 177.57 176.86 1i11 h TRP 13 N -0.56 0.28 0.00 1.57 7.01 0.36 -3.14 115.95 121.46 1i11 h TRP 13 Ca -0.15 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 60.64 1i11 h TRP 13 Cb 1.48 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1i11 h TRP 13 CO 0.20 1.16 0.00 0.00 -2.79 0.00 0.00 178.44 177.00 1i11 h ALA 14 N 0.77 1.00 -0.15 2.65 0.00 0.44 -1.90 119.26 122.06 1i11 h ALA 14 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1i11 h ALA 14 Cb 1.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1i11 h ALA 14 CO 0.17 0.00 -0.20 1.57 0.00 0.00 0.00 179.25 180.79 1i11 h LYS 15 N 0.00 0.26 0.01 0.00 5.09 -1.40 1.63 116.57 122.16 1i11 h LYS 15 Ca 0.00 -0.08 -0.31 0.00 0.09 0.00 0.00 60.65 60.36 1i11 h LYS 15 Cb 0.56 -0.03 -0.05 0.00 0.10 0.00 0.00 32.23 32.82 1i11 h LYS 15 CO 0.00 0.46 -1.82 -3.47 -2.09 0.00 0.00 179.45 172.53 1i11 n ASP 16 N -4.20 0.89 0.14 7.07 -0.08 -1.04 -2.64 116.55 116.68 1i11 n ASP 16 Ca -0.01 0.34 -0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1i11 n ASP 16 Cb 0.33 -0.01 0.26 0.00 2.34 0.00 0.00 41.12 44.04 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 0.01 0.10 -0.23 -0.67 4.39 -0.93 2.03 114.58 119.28 1i11 h GLU 17 Ca -0.33 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.27 1i11 h GLU 17 Cb 2.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.69 1i11 h GLU 17 CO 0.07 0.52 -0.06 0.00 -1.16 0.00 0.00 179.01 178.39 1i11 h ARG 18 N 0.09 0.44 -0.38 2.33 2.47 0.23 0.46 114.38 120.03 1i11 h ARG 18 Ca 0.01 -0.17 -0.13 0.00 -1.26 0.00 0.00 59.98 58.42 1i11 h ARG 18 Cb 0.81 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1i11 h ARG 18 CO 0.06 0.68 -0.29 0.07 0.56 0.00 0.00 179.97 181.05 1i11 h ARG 19 N 0.17 0.81 0.00 0.04 -0.00 -1.15 2.15 114.38 116.40 1i11 h ARG 19 Ca 0.06 -0.37 -0.03 0.00 -0.00 0.00 0.00 59.98 59.64 1i11 h ARG 19 Cb 0.52 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.47 1i11 h ARG 19 CO 0.02 1.00 -0.16 0.87 -0.00 0.00 0.00 179.97 181.70 1i11 h LYS 20 N 0.69 0.00 0.01 0.08 1.57 0.36 -2.51 116.57 116.78 1i11 h LYS 20 Ca 0.08 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.46 1i11 h LYS 20 Cb 0.83 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 1i11 h LYS 20 CO 0.07 0.16 -2.30 -0.89 -0.57 0.00 0.00 179.45 175.92 1i11 n ILE 21 N -3.38 1.55 -0.26 1.86 -0.00 0.16 -4.12 119.36 115.17 1i11 n ILE 21 Ca -0.00 -0.44 0.29 0.00 -0.00 0.00 0.00 62.75 62.60 1i11 n ILE 21 Cb 0.36 -1.73 0.68 0.00 -0.00 0.00 0.00 39.64 38.95 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 -0.53 0.11 -0.95 1.39 5.85 0.35 2.59 115.31 124.11 1i11 h LEU 22 Ca -0.59 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 1i11 h LEU 22 Cb 1.72 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 1i11 h LEU 22 CO -0.22 0.03 0.12 0.06 -0.34 0.00 0.00 178.44 178.08 1i11 h GLN 23 N 0.10 0.88 0.00 1.25 3.07 -1.61 1.19 115.11 119.99 1i11 h GLN 23 Ca 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 59.05 1i11 h GLN 23 Cb 1.82 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.25 1i11 h GLN 23 CO -0.07 0.80 -0.47 0.00 0.09 0.00 0.00 178.83 179.19 1i11 n ALA 24 N -2.46 2.91 -2.77 0.06 0.00 0.76 -4.51 120.51 114.49 1i11 n ALA 24 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1i11 n ALA 24 Cb 0.24 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.97 -3.37 0.57 0.00 3.01 0.48 -4.96 117.46 111.22 1i11 n PHE 25 Ca 0.04 -1.72 0.07 0.00 1.01 0.00 0.00 57.45 56.85 1i11 n PHE 25 Cb 0.41 1.48 0.33 0.00 -0.01 0.00 0.00 39.48 41.70 1i11 n PHE 25 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1i11 n PRO 26 N 1.97 0.07 -0.00 -1.08 -0.04 0.39 -1.85 135.00 134.46 1i11 n PRO 26 Ca 0.12 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 1i11 n PRO 26 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 1i11 n PRO 26 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1i11 h ASP 27 N 0.00 0.36 -0.42 3.54 2.03 -1.93 -3.41 116.42 116.59 1i11 h ASP 27 Ca 0.00 -0.85 -0.06 0.00 -0.73 0.00 0.00 57.03 55.39 1i11 h ASP 27 Cb 0.22 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1i11 h ASP 27 CO 0.00 1.72 0.16 -0.32 -1.03 0.00 0.00 179.24 179.77 1i11 s MET 28 N -2.50 1.78 0.00 4.15 1.75 -0.77 -4.89 119.30 118.82 1i11 s MET 28 Ca -0.22 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.54 1i11 s MET 28 Cb 0.06 -4.84 0.00 0.00 2.84 0.00 0.00 34.83 32.88 1i11 s MET 28 CO 0.75 -4.26 0.00 -2.39 -0.65 0.00 0.00 175.02 168.46 1i11 n HIS 29 N 17.79 -3.21 0.11 4.11 1.44 -1.26 -4.30 115.22 129.89 1i11 n HIS 29 Ca 0.45 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 56.08 1i11 n HIS 29 Cb 0.44 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.10 -0.67 -1.37 4.39 -1.24 -1.96 1.43 115.58 116.06 1i11 h ASN 30 Ca 0.00 0.06 0.40 0.00 0.71 0.00 0.00 56.30 57.47 1i11 h ASN 30 Cb 0.00 0.23 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 1i11 h ASN 30 CO 0.00 -0.29 1.23 -1.54 -1.29 0.00 0.00 177.43 175.54 1i11 n SER 31 N -3.78 0.00 -0.10 1.15 3.41 -1.26 -0.72 113.62 112.32 1i11 n SER 31 Ca -0.05 0.81 -0.18 0.00 -0.26 0.00 0.00 58.87 59.19 1i11 n SER 31 Cb 0.21 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1i11 n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i11 n ASN 32 N -3.42 1.86 0.07 4.04 3.02 -0.73 -4.38 115.26 115.72 1i11 n ASN 32 Ca 0.31 0.11 0.21 0.00 -0.03 0.00 0.00 54.58 55.18 1i11 n ASN 32 Cb 1.64 -0.47 0.73 0.00 -0.61 0.00 0.00 39.78 41.07 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 0.37 -0.63 2.41 1.08 0.36 0.48 117.51 121.15 1i11 h ILE 33 Ca -0.47 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.10 1i11 h ILE 33 Cb 1.53 0.62 -0.08 0.00 -3.07 0.00 0.00 36.82 35.82 1i11 h ILE 33 CO -0.21 0.00 0.20 0.28 -0.69 0.00 0.00 178.15 177.73 1i11 h SER 34 N 0.00 0.15 0.43 1.72 0.02 -1.13 1.28 113.55 116.03 1i11 h SER 34 Ca 0.22 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1i11 h SER 34 Cb 1.17 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1i11 h SER 34 CO -0.00 0.08 -0.30 0.11 -1.14 0.00 0.00 176.83 175.58 1i11 h LYS 35 N 0.36 0.00 0.35 3.45 1.79 -1.15 0.22 116.57 121.59 1i11 h LYS 35 Ca 0.33 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.78 1i11 h LYS 35 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1i11 h LYS 35 CO -0.36 0.30 -0.17 0.82 -1.08 0.00 0.00 179.45 178.96 1i11 h ILE 36 N 0.00 0.12 0.46 1.86 5.03 0.35 -1.71 117.51 123.62 1i11 h ILE 36 Ca -0.00 -0.69 -0.02 0.00 -0.12 0.00 0.00 64.86 64.03 1i11 h ILE 36 Cb 0.60 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 34.58 1i11 h ILE 36 CO 0.04 0.03 -0.37 -0.07 -0.68 0.00 0.00 178.15 177.10 1i11 h LEU 37 N -1.10 -0.97 -0.86 1.44 3.38 0.14 0.83 115.31 118.17 1i11 h LEU 37 Ca -0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i11 h LEU 37 Cb 0.41 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1i11 h LEU 37 CO 0.08 -0.51 0.15 0.61 0.09 0.00 0.00 178.44 178.86 1i11 n GLY 38 N -1.43 -0.65 0.01 0.83 0.00 0.77 0.17 105.19 104.89 1i11 n GLY 38 Ca -0.10 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.97 0.70 -0.01 1.61 2.88 -0.42 -3.13 113.62 113.29 1i11 n SER 39 Ca -0.01 -0.36 -0.10 0.00 -1.33 0.00 0.00 58.87 57.08 1i11 n SER 39 Cb 0.17 1.55 -0.14 0.00 -0.75 0.00 0.00 64.21 65.04 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 0.55 -1.46 2.47 0.88 -3.05 114.38 113.80 1i11 h ARG 40 Ca 0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1i11 h ARG 40 Cb 0.71 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.06 1i11 h ARG 40 CO 0.00 0.63 -0.26 2.35 0.56 0.00 0.00 179.97 183.24 1i11 h TRP 41 N 0.01 -0.69 -0.00 3.04 2.91 0.14 -2.37 115.95 118.99 1i11 h TRP 41 Ca -0.27 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.73 1i11 h TRP 41 Cb 1.99 0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 30.87 1i11 h TRP 41 CO 0.01 -0.41 0.12 0.87 -1.03 0.00 0.00 178.44 178.00 1i11 h LYS 42 N -1.17 0.00 -0.31 2.65 1.57 -1.71 0.66 116.57 118.26 1i11 h LYS 42 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1i11 h LYS 42 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 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 2.46 -1.47 3.86 0.00 -0.97 -4.81 120.51 117.56 1i11 n ALA 43 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1i11 n ALA 43 Cb 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.45 1.41 -0.11 0.00 0.00 0.23 -4.99 117.12 114.11 1i11 n MET 44 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.83 1i11 n MET 44 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.52 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 0.39 0.00 3.17 -2.24 -1.26 -5.01 114.28 109.33 1i11 n THR 45 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1i11 n THR 45 Cb 0.00 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.24 0.00 -0.01 3.42 2.85 -1.26 -4.08 115.26 115.93 1i11 n ASN 46 Ca 0.01 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.63 1i11 n ASN 46 Cb 0.50 0.00 0.67 0.00 1.24 0.00 0.00 39.78 42.19 1i11 n ASN 46 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1i11 n LEU 47 N 0.00 0.07 0.08 1.20 -0.00 -1.26 -3.32 117.00 113.77 1i11 n LEU 47 Ca 0.00 0.31 -0.02 0.00 -0.00 0.00 0.00 56.01 56.30 1i11 n LEU 47 Cb 0.00 -0.34 -0.05 0.00 -0.00 0.00 0.00 43.42 43.02 1i11 n LEU 47 CO 0.00 0.02 0.18 -0.33 -0.00 0.00 0.00 177.39 177.25 1i11 h GLU 48 N 0.06 0.00 -0.19 1.96 4.39 -1.97 -3.24 114.58 115.59 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 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1i11 h GLU 48 CO 0.00 0.65 0.00 0.36 -1.16 0.00 0.00 179.01 178.86 1i11 n LYS 49 N -3.21 1.15 -0.17 2.33 -0.00 -1.21 -4.01 118.16 113.04 1i11 n LYS 49 Ca -0.02 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.31 58.07 1i11 n LYS 49 Cb 0.85 -1.12 0.20 0.00 -0.00 0.00 0.00 35.03 34.96 1i11 n LYS 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1i11 h GLN 50 N 0.32 0.91 0.14 -1.58 3.07 -1.75 -3.05 115.11 113.17 1i11 h GLN 50 Ca 0.00 -0.13 -0.29 0.00 0.09 0.00 0.00 58.65 58.32 1i11 h GLN 50 Cb 0.16 -0.16 0.01 0.00 0.08 0.00 0.00 27.48 27.56 1i11 h GLN 50 CO 0.01 0.73 -1.32 -1.00 0.09 0.00 0.00 178.83 177.33 1i11 h PRO 51 N 0.90 0.29 0.00 0.06 0.13 -1.87 -3.13 132.00 128.37 1i11 h PRO 51 Ca 0.22 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1i11 h PRO 51 Cb 0.15 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1i11 h PRO 51 CO -0.02 1.22 0.00 0.66 -0.23 0.00 0.00 178.00 179.63 1i11 n TYR 52 N -3.53 0.04 0.05 1.56 4.01 -1.17 -1.90 117.16 116.21 1i11 n TYR 52 Ca -0.11 0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.62 1i11 n TYR 52 Cb 1.04 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 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 -0.16 -0.63 -0.72 0.05 -1.47 -2.94 116.97 111.11 1i11 h TYR 53 Ca 0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 1i11 h TYR 53 Cb 0.11 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 1i11 h TYR 53 CO 0.00 -0.10 0.42 1.05 -1.05 0.00 0.00 178.16 178.48 1i11 h GLU 54 N -0.51 0.50 0.00 4.88 4.11 -1.65 0.59 114.58 122.50 1i11 h GLU 54 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1i11 h GLU 54 Cb 0.13 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1i11 h GLU 54 CO 0.03 0.33 0.00 0.93 0.07 0.00 0.00 179.01 180.37 1i11 h GLU 55 N 0.51 0.00 0.04 1.06 4.39 -1.45 -2.26 114.58 116.87 1i11 h GLU 55 Ca 0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1i11 h GLU 55 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1i11 h GLU 55 CO -0.09 0.00 -0.02 -0.56 -1.16 0.00 0.00 179.01 177.19 1i11 h GLN 56 N 0.00 -0.05 -1.17 2.33 3.07 0.39 -2.72 115.11 116.97 1i11 h GLN 56 Ca 0.00 0.00 0.33 0.00 0.09 0.00 0.00 58.65 59.08 1i11 h GLN 56 Cb 0.11 0.01 -0.09 0.00 0.08 0.00 0.00 27.48 27.59 1i11 h GLN 56 CO 0.00 0.61 0.77 0.00 0.09 0.00 0.00 178.83 180.30 1i11 h ALA 57 N -0.18 2.58 0.39 0.06 0.00 -1.36 1.12 119.26 121.88 1i11 h ALA 57 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1i11 h ALA 57 Cb 0.67 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i11 h ALA 57 CO 0.01 -1.04 -0.19 0.00 0.00 0.00 0.00 179.25 178.03 1i11 h ARG 58 N 0.23 -0.51 0.00 0.00 3.08 -1.52 -2.96 114.38 112.71 1i11 h ARG 58 Ca 0.66 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.74 1i11 h ARG 58 Cb 1.99 0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.16 1i11 h ARG 58 CO -0.26 -0.23 0.00 1.47 -1.07 0.00 0.00 179.97 179.88 1i11 n LEU 59 N -5.14 0.00 -0.01 3.04 -0.00 0.04 -2.23 117.00 112.70 1i11 n LEU 59 Ca -0.09 0.16 -0.07 0.00 -0.00 0.00 0.00 56.01 56.01 1i11 n LEU 59 Cb 0.27 -0.16 -0.06 0.00 -0.00 0.00 0.00 43.42 43.48 1i11 n LEU 59 CO 0.23 -0.08 0.22 0.28 -0.00 0.00 0.00 177.39 178.05 1i11 h SER 60 N 0.00 -0.09 -0.73 1.45 0.02 0.14 1.06 113.55 115.39 1i11 h SER 60 Ca 0.00 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1i11 h SER 60 Cb 0.08 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1i11 h SER 60 CO 0.00 0.55 0.42 0.50 -1.14 0.00 0.00 176.83 177.16 1i11 h LYS 61 N -0.98 1.03 -0.06 3.45 1.63 -1.47 -1.54 116.57 118.62 1i11 h LYS 61 Ca -0.01 -0.11 -0.18 0.00 -0.85 0.00 0.00 60.65 59.50 1i11 h LYS 61 Cb 0.43 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1i11 h LYS 61 CO 0.02 0.74 -0.73 1.96 -3.45 0.00 0.00 179.45 177.99 1i11 h GLN 62 N 1.04 0.33 -0.45 1.90 1.08 -1.49 -3.09 115.11 114.43 1i11 h GLN 62 Ca 0.26 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1i11 h GLN 62 Cb 0.01 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.42 1i11 h GLN 62 CO -0.04 0.92 -0.55 1.25 -0.95 0.00 0.00 178.83 179.46 1i11 h HIS 63 N 0.22 -1.68 -0.74 2.96 2.76 0.23 1.01 115.15 119.91 1i11 h HIS 63 Ca -0.03 0.08 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1i11 h HIS 63 Cb 1.30 0.79 -0.07 0.00 1.55 0.00 0.00 27.41 30.99 1i11 h HIS 63 CO 0.04 -0.47 0.39 -0.07 -1.30 0.00 0.00 177.93 176.52 1i11 h LEU 64 N -0.35 0.54 -0.18 0.26 3.38 -1.59 0.82 115.31 118.19 1i11 h LEU 64 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i11 h LEU 64 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1i11 h LEU 64 CO -0.61 0.32 0.00 -0.62 0.09 0.00 0.00 178.44 177.62 1i11 n GLU 65 N -4.81 0.03 0.02 1.13 1.02 0.15 -1.81 120.64 116.38 1i11 n GLU 65 Ca 0.11 0.40 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 1i11 n GLU 65 Cb 0.26 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.29 -2.11 3.49 1.57 0.79 -3.41 116.57 117.19 1i11 h LYS 66 Ca 0.00 -0.49 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 1i11 h LYS 66 Cb 0.13 0.18 -0.41 0.00 0.08 0.00 0.00 32.23 32.22 1i11 h LYS 66 CO 0.00 1.21 -0.92 2.48 -0.57 0.00 0.00 179.45 181.65 1i11 n TYR 67 N -3.49 1.66 0.01 -1.35 4.11 -0.87 -4.92 117.16 112.31 1i11 n TYR 67 Ca -0.29 -3.86 -0.02 0.00 -0.00 0.00 0.00 57.90 53.73 1i11 n TYR 67 Cb 1.06 -0.45 -0.01 0.00 -0.00 0.00 0.00 39.34 39.94 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 3.50 -0.10 -2.43 -3.48 0.13 -1.59 -3.34 132.00 124.70 1i11 h PRO 68 Ca 0.12 0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 65.00 1i11 h PRO 68 Cb 0.77 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1i11 h PRO 68 CO 0.63 -0.07 0.65 -3.47 -0.23 0.00 0.00 178.00 175.52 1i11 n ASP 69 N -3.83 5.01 0.00 1.44 -0.08 -1.26 -5.11 116.55 112.71 1i11 n ASP 69 Ca -0.01 -2.34 0.01 0.00 -1.51 0.00 0.00 54.79 50.93 1i11 n ASP 69 Cb 0.04 -1.21 0.05 0.00 2.34 0.00 0.00 41.12 42.34 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32