#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 2.94 -4.07 6.00 -0.00 -1.26 -4.93 115.22 113.90 1i11 n HIS 2 Ca 0.00 -2.50 -0.11 0.00 0.46 0.00 0.00 57.72 55.57 1i11 n HIS 2 Cb 0.00 -1.13 -0.06 0.00 -0.12 0.00 0.00 29.99 28.68 1i11 n HIS 2 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1i11 s ILE 3 N -4.77 0.00 -0.87 3.57 -4.36 -1.26 -5.02 121.20 108.50 1i11 s ILE 3 Ca 0.46 -1.61 -0.17 0.00 -0.26 0.00 0.00 60.65 59.07 1i11 s ILE 3 Cb 0.33 -2.38 -0.11 0.00 1.25 0.00 0.00 42.46 41.54 1i11 s ILE 3 CO -0.28 0.00 2.01 1.17 0.24 0.00 0.00 174.94 178.08 1i11 n LYS 4 N -0.39 1.78 -2.97 0.37 4.81 -1.26 -4.90 118.16 115.60 1i11 n LYS 4 Ca -0.00 -1.81 -0.31 0.00 -0.87 0.00 0.00 58.31 55.32 1i11 n LYS 4 Cb 0.63 -2.83 -0.04 0.00 0.02 0.00 0.00 35.03 32.81 1i11 n LYS 4 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1i11 s ARG 5 N 4.42 3.87 -1.30 1.64 1.81 -1.26 -4.96 118.95 123.16 1i11 s ARG 5 Ca 0.52 0.55 -0.18 0.00 -1.72 0.00 0.00 55.73 54.90 1i11 s ARG 5 Cb 0.13 -2.41 0.03 0.00 -0.45 0.00 0.00 34.95 32.26 1i11 s ARG 5 CO 0.06 0.04 1.91 -0.35 -0.68 0.00 0.00 175.30 176.29 1i11 n PRO 6 N -0.92 2.83 -0.39 3.54 -0.04 -1.26 -4.90 135.00 133.86 1i11 n PRO 6 Ca 0.03 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1i11 n PRO 6 Cb 0.54 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 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 7.63 2.75 -3.07 0.54 0.00 -1.26 -5.07 117.12 118.65 1i11 n MET 7 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1i11 n MET 7 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.66 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 -0.68 0.00 0.14 3.17 5.15 -1.26 -4.94 115.26 116.84 1i11 n ASN 8 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1i11 n ASN 8 Cb 0.00 0.00 0.64 0.00 -0.53 0.00 0.00 39.78 39.89 1i11 n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i11 h ALA 9 N 0.00 2.18 0.41 5.20 0.00 -1.89 0.44 119.26 125.59 1i11 h ALA 9 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i11 h ALA 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i11 h ALA 9 CO 0.00 -0.24 -0.20 0.35 0.00 0.00 0.00 179.25 179.16 1i11 h PHE 10 N 0.04 -0.51 0.00 0.00 3.57 -1.93 2.67 116.94 120.78 1i11 h PHE 10 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1i11 h PHE 10 Cb 0.40 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1i11 h PHE 10 CO -0.00 -0.32 0.00 0.52 -2.23 0.00 0.00 178.31 176.28 1i11 h MET 11 N -0.84 0.00 0.10 1.11 2.86 -1.87 2.29 114.93 118.58 1i11 h MET 11 Ca -0.06 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.39 1i11 h MET 11 Cb 0.42 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.09 1i11 h MET 11 CO 0.09 0.00 -0.94 0.28 1.06 0.00 0.00 176.91 177.40 1i11 h VAL 12 N 0.00 1.34 0.03 -2.22 2.07 0.21 -2.37 116.25 115.32 1i11 h VAL 12 Ca 0.00 -2.44 -0.24 0.00 0.82 0.00 0.00 66.70 64.84 1i11 h VAL 12 Cb 0.08 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1i11 h VAL 12 CO 0.00 0.67 -1.19 -0.25 0.02 0.00 0.00 177.57 176.82 1i11 h TRP 13 N -0.48 0.13 0.00 1.57 7.01 0.59 -3.26 115.95 121.51 1i11 h TRP 13 Ca -0.19 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.71 1i11 h TRP 13 Cb 1.57 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.63 1i11 h TRP 13 CO 0.18 1.09 0.00 0.00 -2.79 0.00 0.00 178.44 176.91 1i11 h ALA 14 N 0.88 1.00 0.00 2.65 0.00 0.37 -0.68 119.26 123.48 1i11 h ALA 14 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1i11 h ALA 14 Cb 1.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1i11 h ALA 14 CO 0.14 0.00 -0.22 1.57 0.00 0.00 0.00 179.25 180.74 1i11 h LYS 15 N 0.00 0.00 0.03 0.00 2.10 -1.46 1.19 116.57 118.43 1i11 h LYS 15 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 1i11 h LYS 15 Cb 0.79 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.06 1i11 h LYS 15 CO 0.00 0.22 -2.32 -0.25 -2.00 0.00 0.00 179.45 175.09 1i11 n ASP 16 N -3.57 1.77 0.07 7.07 9.92 -1.15 -2.55 116.55 128.12 1i11 n ASP 16 Ca -0.01 -0.02 0.03 0.00 -0.53 0.00 0.00 54.79 54.26 1i11 n ASP 16 Cb 0.36 -0.36 0.39 0.00 -0.64 0.00 0.00 41.12 40.87 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1i11 h GLU 17 N 0.02 0.37 0.08 -1.24 4.39 -0.87 1.81 114.58 119.13 1i11 h GLU 17 Ca -0.53 -0.06 -0.27 0.00 0.34 0.00 0.00 59.36 58.84 1i11 h GLU 17 Cb 1.97 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 30.58 1i11 h GLU 17 CO -0.03 0.39 -1.14 0.07 -1.16 0.00 0.00 179.01 177.14 1i11 h ARG 18 N 0.36 0.50 -0.44 2.33 0.11 0.13 -0.55 114.38 116.82 1i11 h ARG 18 Ca 0.08 -0.64 -0.10 0.00 0.10 0.00 0.00 59.98 59.42 1i11 h ARG 18 Cb 0.23 0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 1i11 h ARG 18 CO 0.00 1.26 -0.14 0.07 0.10 0.00 0.00 179.97 181.26 1i11 h ARG 19 N 0.23 0.81 0.00 0.08 -0.00 -0.94 1.92 114.38 116.48 1i11 h ARG 19 Ca -0.14 -0.29 -0.02 0.00 -0.00 0.00 0.00 59.98 59.53 1i11 h ARG 19 Cb 1.81 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 31.72 1i11 h ARG 19 CO 0.21 0.91 -0.10 -0.22 -0.00 0.00 0.00 179.97 180.76 1i11 h LYS 20 N 0.73 0.00 0.02 0.08 3.64 0.28 -2.90 116.57 118.42 1i11 h LYS 20 Ca 0.12 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.10 1i11 h LYS 20 Cb 0.64 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1i11 h LYS 20 CO 0.04 0.10 -2.25 -0.89 -2.27 0.00 0.00 179.45 174.18 1i11 n ILE 21 N -3.20 1.55 -0.06 2.00 -0.00 -0.23 -4.13 119.36 115.30 1i11 n ILE 21 Ca 0.01 -0.43 0.24 0.00 -0.00 0.00 0.00 62.75 62.57 1i11 n ILE 21 Cb 0.40 -1.74 0.72 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 -0.53 0.00 -0.85 1.39 5.85 0.29 1.88 115.31 123.35 1i11 h LEU 22 Ca -0.57 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 1i11 h LEU 22 Cb 1.72 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1i11 h LEU 22 CO -0.21 0.00 0.08 0.06 -0.34 0.00 0.00 178.44 178.03 1i11 h GLN 23 N 0.00 0.93 -0.01 1.25 3.07 -1.67 0.86 115.11 119.54 1i11 h GLN 23 Ca 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1i11 h GLN 23 Cb 1.38 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1i11 h GLN 23 CO -0.00 0.87 -0.26 0.00 0.09 0.00 0.00 178.83 179.53 1i11 n ALA 24 N -2.47 3.08 -2.86 0.06 0.00 0.55 -4.37 120.51 114.49 1i11 n ALA 24 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 1i11 n ALA 24 Cb 0.28 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.84 -2.52 0.84 0.00 3.72 0.36 -4.95 117.46 114.07 1i11 n PHE 25 Ca 0.11 -2.27 0.08 0.00 -0.05 0.00 0.00 57.45 55.33 1i11 n PHE 25 Cb 0.33 1.07 0.44 0.00 -0.94 0.00 0.00 39.48 40.38 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 1.45 0.27 -0.12 -1.08 -0.04 0.28 -2.26 135.00 133.50 1i11 n PRO 26 Ca 0.12 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 1i11 n PRO 26 Cb 0.61 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.26 1.67 -4.56 3.54 8.00 -1.26 -4.72 116.55 117.96 1i11 n ASP 27 Ca 0.09 -0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.27 1i11 n ASP 27 Cb 0.13 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.50 2.02 1.17 -1.24 1.75 -0.96 -4.91 119.30 114.63 1i11 s MET 28 Ca -0.30 0.24 -0.20 0.00 -1.25 0.00 0.00 55.69 54.18 1i11 s MET 28 Cb 0.08 -4.87 0.29 0.00 2.84 0.00 0.00 34.83 33.17 1i11 s MET 28 CO 0.63 -3.93 1.12 -2.39 -0.65 0.00 0.00 175.02 169.80 1i11 n HIS 29 N 16.57 -3.91 0.06 4.11 1.44 -1.26 -4.29 115.22 127.93 1i11 n HIS 29 Ca 0.43 -1.01 -0.14 0.00 -2.01 0.00 0.00 57.72 54.99 1i11 n HIS 29 Cb 0.45 -1.10 -0.08 0.00 0.12 0.00 0.00 29.99 29.38 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 -2.53 -1.38 -1.06 4.39 -1.24 -1.95 0.86 115.58 112.67 1i11 h ASN 30 Ca -0.41 0.16 0.40 0.00 0.71 0.00 0.00 56.30 57.17 1i11 h ASN 30 Cb 1.23 0.53 -0.14 0.00 0.73 0.00 0.00 38.32 40.67 1i11 h ASN 30 CO 0.27 -0.48 0.63 -0.24 -1.29 0.00 0.00 177.43 176.32 1i11 n SER 31 N -5.46 0.25 -0.10 1.15 2.88 -1.26 0.14 113.62 111.23 1i11 n SER 31 Ca -0.06 1.37 -0.23 0.00 -1.33 0.00 0.00 58.87 58.62 1i11 n SER 31 Cb 0.38 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.05 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 -4.78 1.98 -0.02 -3.46 3.02 -0.58 -4.11 115.26 107.32 1i11 n ASN 32 Ca 0.35 0.18 0.22 0.00 -0.03 0.00 0.00 54.58 55.30 1i11 n ASN 32 Cb 1.28 -0.73 0.70 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.46 0.67 -0.70 2.41 1.08 0.31 0.93 117.51 121.75 1i11 h ILE 33 Ca -0.54 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.02 1i11 h ILE 33 Cb 1.74 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 36.12 1i11 h ILE 33 CO -0.17 0.00 0.35 0.28 -0.69 0.00 0.00 178.15 177.92 1i11 h SER 34 N 0.00 0.45 0.57 1.72 0.02 0.11 0.78 113.55 117.19 1i11 h SER 34 Ca 0.27 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.22 1i11 h SER 34 Cb 1.12 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1i11 h SER 34 CO -0.00 0.26 -0.31 0.11 -1.14 0.00 0.00 176.83 175.75 1i11 h LYS 35 N 0.59 0.00 0.27 3.45 1.57 -1.01 0.17 116.57 121.61 1i11 h LYS 35 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1i11 h LYS 35 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1i11 h LYS 35 CO -0.26 0.31 -0.13 0.82 -0.57 0.00 0.00 179.45 179.61 1i11 h ILE 36 N 0.00 0.60 0.73 1.86 5.03 0.12 -1.74 117.51 124.11 1i11 h ILE 36 Ca -0.00 -0.85 -0.03 0.00 -0.12 0.00 0.00 64.86 63.86 1i11 h ILE 36 Cb 0.68 0.97 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 1i11 h ILE 36 CO 0.04 0.14 -0.47 -0.07 -0.68 0.00 0.00 178.15 177.11 1i11 h LEU 37 N -0.90 -1.21 -1.21 1.44 3.38 0.48 1.06 115.31 118.35 1i11 h LEU 37 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i11 h LEU 37 Cb 0.51 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i11 h LEU 37 CO 0.06 -0.72 0.25 1.23 0.09 0.00 0.00 178.44 179.35 1i11 h GLY 38 N -1.14 0.00 0.00 0.83 0.00 -0.76 2.43 103.07 104.43 1i11 h GLY 38 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1i11 h GLY 38 CO 0.08 0.00 -1.71 -1.14 0.00 0.00 0.00 176.54 173.77 1i11 n SER 39 N -2.25 0.42 0.00 0.19 3.41 -0.08 -3.23 113.62 112.08 1i11 n SER 39 Ca -0.01 -0.24 -0.07 0.00 -0.26 0.00 0.00 58.87 58.29 1i11 n SER 39 Cb 0.27 1.72 -0.13 0.00 -0.26 0.00 0.00 64.21 65.82 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1i11 h ARG 40 N 0.00 0.00 0.47 4.33 2.47 1.11 -3.02 114.38 119.74 1i11 h ARG 40 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1i11 h ARG 40 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1i11 h ARG 40 CO 0.00 0.57 -0.22 2.35 0.56 0.00 0.00 179.97 183.22 1i11 h TRP 41 N 0.00 -0.58 0.00 3.04 2.91 0.31 0.63 115.95 122.25 1i11 h TRP 41 Ca -0.21 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.80 1i11 h TRP 41 Cb 1.90 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 30.75 1i11 h TRP 41 CO 0.00 -0.26 0.00 1.63 -1.03 0.00 0.00 178.44 178.78 1i11 n LYS 42 N -5.23 0.15 -0.08 2.65 5.02 -1.20 -2.54 118.16 116.94 1i11 n LYS 42 Ca -0.10 0.58 -0.15 0.00 -2.02 0.00 0.00 58.31 56.62 1i11 n LYS 42 Cb 0.30 -1.94 -0.12 0.00 -0.02 0.00 0.00 35.03 33.26 1i11 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i11 h ALA 43 N 2.07 0.07 -3.00 7.82 0.00 -1.28 -3.47 119.26 121.47 1i11 h ALA 43 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1i11 h ALA 43 Cb 0.10 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i11 h ALA 43 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1i11 n MET 44 N -4.57 1.03 -4.02 0.00 0.00 0.16 -4.92 117.12 104.81 1i11 n MET 44 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.23 1i11 n MET 44 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.57 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 -0.23 2.35 0.51 3.17 -4.23 -1.26 -4.94 115.64 111.01 1i11 s THR 45 Ca 0.00 -1.99 0.40 0.00 -1.18 0.00 0.00 61.69 58.92 1i11 s THR 45 Cb 0.00 -2.57 0.59 0.00 1.34 0.00 0.00 72.50 71.86 1i11 s THR 45 CO 0.00 -0.35 1.34 -3.20 -0.54 0.00 0.00 174.62 171.87 1i11 n ASN 46 N 4.37 0.00 0.11 3.99 2.85 -1.26 0.37 115.26 125.68 1i11 n ASN 46 Ca -0.05 0.84 -0.02 0.00 -0.11 0.00 0.00 54.58 55.25 1i11 n ASN 46 Cb 0.42 -0.39 0.23 0.00 1.24 0.00 0.00 39.78 41.27 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1i11 h LEU 47 N 0.00 0.21 -0.42 1.20 5.85 -2.02 -2.04 115.31 118.08 1i11 h LEU 47 Ca 0.75 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.38 1i11 h LEU 47 Cb 3.22 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 44.19 1i11 h LEU 47 CO -0.01 0.62 0.00 -0.62 -0.34 0.00 0.00 178.44 178.09 1i11 n GLU 48 N -4.01 1.21 -0.03 1.25 -0.58 1.17 -3.90 120.64 115.74 1i11 n GLU 48 Ca -0.02 -0.29 0.07 0.00 -0.42 0.00 0.00 57.16 56.51 1i11 n GLU 48 Cb 0.49 -1.13 0.36 0.00 -0.57 0.00 0.00 31.44 30.59 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i11 n LYS 49 N -0.23 1.24 0.06 3.49 4.01 -0.77 -4.10 118.16 121.87 1i11 n LYS 49 Ca 0.03 -0.37 0.04 0.00 -0.51 0.00 0.00 58.31 57.50 1i11 n LYS 49 Cb 0.10 -1.25 0.45 0.00 -0.51 0.00 0.00 35.03 33.82 1i11 n LYS 49 CO 0.00 0.00 0.00 -0.56 -1.11 0.00 0.00 177.40 175.73 1i11 h GLN 50 N 0.70 0.40 0.00 1.97 3.07 -1.81 -1.26 115.11 118.18 1i11 h GLN 50 Ca 0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 1i11 h GLN 50 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 1i11 h GLN 50 CO 0.00 0.31 -0.39 -1.00 0.09 0.00 0.00 178.83 177.84 1i11 h PRO 51 N 0.40 0.00 0.00 0.06 0.13 -1.94 -2.76 132.00 127.89 1i11 h PRO 51 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1i11 h PRO 51 Cb 0.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1i11 h PRO 51 CO -0.02 0.65 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 1i11 n TYR 52 N -4.60 0.74 -0.07 1.56 4.01 -1.23 -0.05 117.16 117.52 1i11 n TYR 52 Ca -0.13 0.36 -0.10 0.00 -0.16 0.00 0.00 57.90 57.87 1i11 n TYR 52 Cb 0.40 -1.07 -0.07 0.00 -0.31 0.00 0.00 39.34 38.29 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 -1.31 -3.32 116.97 109.63 1i11 h TYR 53 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1i11 h TYR 53 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1i11 h TYR 53 CO 0.00 0.64 -0.34 1.05 -0.00 0.00 0.00 178.16 179.52 1i11 h GLU 54 N -1.00 0.00 0.00 4.88 4.11 -1.15 -2.07 114.58 119.35 1i11 h GLU 54 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1i11 h GLU 54 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1i11 h GLU 54 CO -0.05 0.34 0.00 0.93 0.07 0.00 0.00 179.01 180.30 1i11 h GLU 55 N 0.00 0.00 0.00 1.06 4.39 -0.60 -0.92 114.58 118.51 1i11 h GLU 55 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1i11 h GLU 55 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1i11 h GLU 55 CO 0.04 0.00 -0.34 -0.56 -1.16 0.00 0.00 179.01 176.99 1i11 h GLN 56 N 0.00 0.00 -0.11 2.33 3.07 -1.47 -3.15 115.11 115.78 1i11 h GLN 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1i11 h GLN 56 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 1i11 h GLN 56 CO 0.00 0.95 0.07 0.00 0.09 0.00 0.00 178.83 179.94 1i11 h ALA 57 N -0.18 1.93 0.10 0.06 0.00 -1.42 -2.20 119.26 117.55 1i11 h ALA 57 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1i11 h ALA 57 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1i11 h ALA 57 CO -0.06 0.06 -0.05 0.07 0.00 0.00 0.00 179.25 179.28 1i11 h ARG 58 N 0.14 -0.13 0.00 0.00 -0.00 -1.28 -2.51 114.38 110.60 1i11 h ARG 58 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.03 1i11 h ARG 58 Cb -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 1i11 h ARG 58 CO -0.01 0.34 0.00 1.37 -0.00 0.00 0.00 179.97 181.67 1i11 h LEU 59 N -0.68 0.00 0.22 0.08 8.10 -1.45 -0.76 115.31 120.81 1i11 h LEU 59 Ca -0.01 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.66 1i11 h LEU 59 Cb 0.53 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.78 1i11 h LEU 59 CO 0.02 0.00 -1.41 0.28 -4.11 0.00 0.00 178.44 173.23 1i11 h SER 60 N 0.00 0.71 -0.37 0.17 0.02 -1.18 -2.35 113.55 110.56 1i11 h SER 60 Ca 0.00 -0.76 -0.03 0.00 -0.84 0.00 0.00 61.79 60.16 1i11 h SER 60 Cb 0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1i11 h SER 60 CO 0.00 1.60 0.11 0.50 -1.14 0.00 0.00 176.83 177.90 1i11 h LYS 61 N 0.12 0.57 -0.05 3.45 1.63 -0.71 -2.69 116.57 118.90 1i11 h LYS 61 Ca -0.22 -0.13 -0.12 0.00 -0.85 0.00 0.00 60.65 59.33 1i11 h LYS 61 Cb 2.11 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.64 1i11 h LYS 61 CO 0.25 0.60 -0.53 -0.56 -3.45 0.00 0.00 179.45 175.76 1i11 h GLN 62 N 0.44 0.14 0.00 1.90 3.07 -1.56 -3.02 115.11 116.08 1i11 h GLN 62 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1i11 h GLN 62 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.83 1i11 h GLN 62 CO -0.00 0.64 0.00 1.58 0.09 0.00 0.00 178.83 181.14 1i11 n HIS 63 N -3.92 0.00 -0.35 0.06 -0.00 -0.88 -1.89 115.22 108.24 1i11 n HIS 63 Ca -0.02 0.00 0.25 0.00 0.46 0.00 0.00 57.72 58.41 1i11 n HIS 63 Cb 0.55 -0.34 0.52 0.00 -0.12 0.00 0.00 29.99 30.60 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 0.44 -1.56 0.27 4.07 -1.63 1.21 115.31 118.11 1i11 h LEU 64 Ca 0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1i11 h LEU 64 Cb 0.00 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1i11 h LEU 64 CO 0.00 0.00 0.16 -0.33 -1.08 0.00 0.00 178.44 177.19 1i11 h GLU 65 N 0.34 0.00 0.00 1.13 5.08 -1.24 -2.56 114.58 117.34 1i11 h GLU 65 Ca 0.67 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.94 1i11 h GLU 65 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1i11 h GLU 65 CO -0.39 0.00 -0.81 1.63 -1.00 0.00 0.00 179.01 178.45 1i11 n LYS 66 N -2.41 0.49 -3.65 2.33 5.02 0.42 -4.98 118.16 115.37 1i11 n LYS 66 Ca -0.02 0.54 -0.05 0.00 -2.02 0.00 0.00 58.31 56.76 1i11 n LYS 66 Cb 0.19 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 1i11 n LYS 66 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1i11 s TYR 67 N -2.30 -1.08 0.00 2.13 -0.85 -0.96 -5.10 117.35 109.19 1i11 s TYR 67 Ca -0.20 1.98 0.00 0.00 -0.52 0.00 0.00 57.07 58.33 1i11 s TYR 67 Cb 0.04 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1i11 s TYR 67 CO 0.35 -0.56 0.01 -0.35 -1.52 0.00 0.00 175.55 173.48 1i11 n PRO 68 N 5.15 0.00 0.00 -3.49 -0.04 -1.25 -4.65 135.00 130.72 1i11 n PRO 68 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1i11 n PRO 68 Cb 0.51 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1i11 n PRO 68 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i11 n ASP 69 N -0.18 0.00 0.00 3.54 9.92 -1.26 -5.08 116.55 123.49 1i11 n ASP 69 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1i11 n ASP 69 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1i11 n ASP 69 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11