#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 -1.38 -2.39 6.00 1.44 -1.26 -5.01 115.22 112.62 1i11 n HIS 2 Ca 0.00 -1.26 -0.33 0.00 -2.01 0.00 0.00 57.72 54.12 1i11 n HIS 2 Cb 0.00 1.36 0.01 0.00 0.12 0.00 0.00 29.99 31.48 1i11 n HIS 2 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1i11 n ILE 3 N -0.60 3.33 -2.03 0.61 -5.35 -1.26 -4.97 119.36 109.10 1i11 n ILE 3 Ca -0.15 -4.96 -0.26 0.00 -0.27 0.00 0.00 62.75 57.10 1i11 n ILE 3 Cb 0.74 -1.31 -0.06 0.00 -1.74 0.00 0.00 39.64 37.27 1i11 n ILE 3 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1i11 s LYS 4 N -3.80 2.48 -0.36 6.28 1.02 -1.26 -4.74 119.74 119.36 1i11 s LYS 4 Ca 0.48 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.01 1i11 s LYS 4 Cb 0.37 -5.10 0.47 0.00 -0.52 0.00 0.00 37.83 33.05 1i11 s LYS 4 CO -0.25 -3.63 1.44 2.89 -0.92 0.00 0.00 175.35 174.89 1i11 n ARG 5 N 8.68 2.75 -0.93 1.68 1.85 -1.26 -4.81 116.66 124.62 1i11 n ARG 5 Ca 0.42 -3.64 -0.11 0.00 -1.00 0.00 0.00 57.85 53.52 1i11 n ARG 5 Cb 0.47 -2.10 -0.15 0.00 -1.05 0.00 0.00 32.46 29.63 1i11 n ARG 5 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1i11 n PRO 6 N -0.91 1.85 -0.16 2.89 -0.04 -1.26 -4.80 135.00 132.57 1i11 n PRO 6 Ca 0.43 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1i11 n PRO 6 Cb 0.92 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.42 3.24 0.00 0.54 0.00 -1.26 -5.06 117.12 117.00 1i11 n MET 7 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.08 1i11 n MET 7 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.08 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 -0.23 0.00 -0.19 3.17 2.85 -1.26 -4.90 115.26 114.70 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 0.52 0.00 1.24 0.00 0.00 39.78 41.54 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 2.19 0.45 5.20 0.00 -1.87 1.90 119.26 127.13 1i11 h ALA 9 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1i11 h ALA 9 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i11 h ALA 9 CO 0.00 -0.43 -0.21 0.35 0.00 0.00 0.00 179.25 178.96 1i11 h PHE 10 N 0.38 -0.56 0.00 0.00 3.57 -1.93 2.19 116.94 120.59 1i11 h PHE 10 Ca 0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1i11 h PHE 10 Cb 1.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1i11 h PHE 10 CO -0.00 -0.33 0.00 0.52 -2.23 0.00 0.00 178.31 176.27 1i11 h MET 11 N -1.15 0.00 0.09 1.11 2.86 -1.75 2.52 114.93 118.62 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 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1i11 h MET 11 CO 0.10 0.00 -0.93 0.28 1.06 0.00 0.00 176.91 177.42 1i11 h VAL 12 N 0.00 1.33 0.08 -2.22 2.07 0.33 -2.75 116.25 115.10 1i11 h VAL 12 Ca 0.00 -2.42 -0.26 0.00 0.82 0.00 0.00 66.70 64.85 1i11 h VAL 12 Cb 0.12 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1i11 h VAL 12 CO 0.00 0.65 -1.19 -0.25 0.02 0.00 0.00 177.57 176.80 1i11 h TRP 13 N -0.52 0.31 0.00 1.57 7.01 0.49 -3.26 115.95 121.55 1i11 h TRP 13 Ca -0.20 -0.23 -0.04 0.00 2.11 0.00 0.00 58.89 60.54 1i11 h TRP 13 Cb 1.54 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.58 1i11 h TRP 13 CO 0.18 1.19 -0.18 0.00 -2.79 0.00 0.00 178.44 176.83 1i11 h ALA 14 N 0.73 1.01 -0.07 2.65 0.00 0.42 -0.84 119.26 123.15 1i11 h ALA 14 Ca -0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1i11 h ALA 14 Cb 1.91 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1i11 h ALA 14 CO 0.17 0.23 -0.23 0.87 0.00 0.00 0.00 179.25 180.29 1i11 h LYS 15 N 0.00 0.11 0.02 0.00 1.79 -1.52 1.55 116.57 118.52 1i11 h LYS 15 Ca -0.00 -0.03 -0.33 0.00 -2.18 0.00 0.00 60.65 58.11 1i11 h LYS 15 Cb 0.73 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 1i11 h LYS 15 CO 0.02 0.35 -1.94 -3.47 -1.08 0.00 0.00 179.45 173.33 1i11 n ASP 16 N -4.22 0.94 0.04 0.86 -0.08 -1.11 -2.40 116.55 110.58 1i11 n ASP 16 Ca -0.02 0.26 -0.04 0.00 -1.51 0.00 0.00 54.79 53.49 1i11 n ASP 16 Cb 0.32 0.03 0.19 0.00 2.34 0.00 0.00 41.12 44.00 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 0.40 0.12 -0.67 4.39 -0.70 1.27 114.58 119.40 1i11 h GLU 17 Ca -0.38 -0.17 -0.28 0.00 0.34 0.00 0.00 59.36 58.87 1i11 h GLU 17 Cb 2.06 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1i11 h GLU 17 CO 0.06 0.70 -1.22 0.07 -1.16 0.00 0.00 179.01 177.46 1i11 h ARG 18 N 0.34 0.41 -0.35 2.33 -0.00 0.21 -1.11 114.38 116.22 1i11 h ARG 18 Ca 0.04 -0.61 -0.10 0.00 -0.00 0.00 0.00 59.98 59.31 1i11 h ARG 18 Cb 0.77 0.21 -0.01 0.00 -0.00 0.00 0.00 29.97 30.94 1i11 h ARG 18 CO 0.06 1.26 -0.18 0.00 -0.00 0.00 0.00 179.97 181.11 1i11 h ARG 19 N 0.16 0.74 0.00 0.08 3.08 -1.13 1.22 114.38 118.52 1i11 h ARG 19 Ca -0.15 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1i11 h ARG 19 Cb 1.91 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.94 1i11 h ARG 19 CO 0.21 0.94 0.00 1.57 -1.07 0.00 0.00 179.97 181.62 1i11 h LYS 20 N 0.52 0.00 0.01 0.04 5.09 0.16 -2.97 116.57 119.43 1i11 h LYS 20 Ca 0.08 0.00 -0.40 0.00 0.09 0.00 0.00 60.65 60.42 1i11 h LYS 20 Cb 0.72 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.00 1i11 h LYS 20 CO 0.05 0.00 -2.29 -0.89 -2.09 0.00 0.00 179.45 174.24 1i11 n ILE 21 N -2.45 1.55 -0.23 0.07 5.41 -0.42 -4.13 119.36 119.16 1i11 n ILE 21 Ca 0.03 -0.42 0.30 0.00 1.00 0.00 0.00 62.75 63.66 1i11 n ILE 21 Cb 0.31 -1.74 0.73 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.56 0.01 -0.97 1.39 5.85 0.15 2.37 115.31 123.55 1i11 h LEU 22 Ca -0.59 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 1i11 h LEU 22 Cb 1.71 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 1i11 h LEU 22 CO -0.23 0.00 0.10 0.06 -0.34 0.00 0.00 178.44 178.03 1i11 h GLN 23 N 0.01 0.84 -0.00 1.25 3.07 -1.68 0.69 115.11 119.29 1i11 h GLN 23 Ca 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1i11 h GLN 23 Cb 1.87 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 29.31 1i11 h GLN 23 CO -0.01 0.78 -0.27 0.00 0.09 0.00 0.00 178.83 179.42 1i11 n ALA 24 N -2.47 3.06 -2.85 0.06 0.00 0.73 -4.40 120.51 114.65 1i11 n ALA 24 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1i11 n ALA 24 Cb 0.25 -1.23 0.02 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 -1.13 -2.95 0.68 0.00 3.01 0.24 -4.97 117.46 112.34 1i11 n PHE 25 Ca 0.10 -1.98 0.06 0.00 1.01 0.00 0.00 57.45 56.64 1i11 n PHE 25 Cb 0.32 1.23 0.34 0.00 -0.01 0.00 0.00 39.48 41.36 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 1.98 0.27 -0.09 -1.08 -0.04 0.22 -1.76 135.00 134.51 1i11 n PRO 26 Ca 0.14 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1i11 n PRO 26 Cb 0.59 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 1i11 n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 27 N -1.16 0.92 -4.56 3.54 -0.08 -1.26 -4.77 116.55 109.18 1i11 n ASP 27 Ca 0.07 -0.01 -0.23 0.00 -1.51 0.00 0.00 54.79 53.12 1i11 n ASP 27 Cb 0.07 0.79 -0.05 0.00 2.34 0.00 0.00 41.12 44.27 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1i11 s MET 28 N -2.42 1.94 0.00 -0.67 1.75 -0.72 -4.90 119.30 114.29 1i11 s MET 28 Ca -0.11 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.90 1i11 s MET 28 Cb 0.05 -4.76 0.00 0.00 2.84 0.00 0.00 34.83 32.97 1i11 s MET 28 CO 0.68 -3.89 0.00 -2.39 -0.65 0.00 0.00 175.02 168.78 1i11 n HIS 29 N 16.85 -0.62 0.00 4.11 1.44 -1.26 -4.26 115.22 131.48 1i11 n HIS 29 Ca 0.41 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 1i11 n HIS 29 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1i11 n HIS 29 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1i11 n ASN 30 N -0.43 0.00 -0.35 4.39 3.02 -1.26 0.14 115.26 120.77 1i11 n ASN 30 Ca 0.00 0.84 0.33 0.00 -0.03 0.00 0.00 54.58 55.72 1i11 n ASN 30 Cb 0.00 -0.34 0.51 0.00 -0.61 0.00 0.00 39.78 39.34 1i11 n ASN 30 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i11 n SER 31 N -1.55 0.00 -0.11 6.41 3.41 -1.26 0.68 113.62 121.20 1i11 n SER 31 Ca 0.00 0.75 -0.18 0.00 -0.26 0.00 0.00 58.87 59.18 1i11 n SER 31 Cb 0.00 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1i11 n SER 31 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1i11 n ASN 32 N -3.27 1.92 -0.08 4.04 2.85 -1.05 -4.13 115.26 115.55 1i11 n ASN 32 Ca 0.28 0.39 0.16 0.00 -0.11 0.00 0.00 54.58 55.29 1i11 n ASN 32 Cb 1.53 -0.82 0.57 0.00 1.24 0.00 0.00 39.78 42.29 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 0.81 -0.61 -1.44 1.08 0.31 0.64 117.51 117.31 1i11 h ILE 33 Ca -0.33 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.12 1i11 h ILE 33 Cb 1.22 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 35.43 1i11 h ILE 33 CO -0.20 0.05 0.29 0.28 -0.69 0.00 0.00 178.15 177.88 1i11 h SER 34 N 0.27 0.37 0.45 1.72 0.02 0.08 1.39 113.55 117.85 1i11 h SER 34 Ca 0.30 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1i11 h SER 34 Cb 0.79 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1i11 h SER 34 CO -0.07 0.23 -0.26 0.11 -1.14 0.00 0.00 176.83 175.71 1i11 h LYS 35 N 0.52 0.00 0.12 3.45 1.57 -1.05 0.30 116.57 121.48 1i11 h LYS 35 Ca 0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1i11 h LYS 35 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1i11 h LYS 35 CO -0.23 0.26 -0.06 0.82 -0.57 0.00 0.00 179.45 179.67 1i11 h ILE 36 N 0.00 1.03 0.77 1.86 5.03 0.64 -1.63 117.51 125.22 1i11 h ILE 36 Ca -0.00 -1.24 -0.03 0.00 -0.12 0.00 0.00 64.86 63.46 1i11 h ILE 36 Cb 0.55 1.73 -0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1i11 h ILE 36 CO 0.03 0.27 -0.44 -0.07 -0.68 0.00 0.00 178.15 177.26 1i11 h LEU 37 N -0.80 -1.10 -1.26 1.44 3.38 0.19 1.92 115.31 119.08 1i11 h LEU 37 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i11 h LEU 37 Cb 0.56 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i11 h LEU 37 CO 0.03 -0.70 0.13 1.23 0.09 0.00 0.00 178.44 179.21 1i11 h GLY 38 N -1.13 0.00 0.00 0.83 0.00 -0.51 2.47 103.07 104.73 1i11 h GLY 38 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1i11 h GLY 38 CO 0.12 0.00 -1.81 -1.14 0.00 0.00 0.00 176.54 173.71 1i11 n SER 39 N -2.20 0.54 0.02 0.19 3.41 -0.16 -3.18 113.62 112.23 1i11 n SER 39 Ca -0.01 -0.09 -0.05 0.00 -0.26 0.00 0.00 58.87 58.46 1i11 n SER 39 Cb 0.15 1.82 -0.11 0.00 -0.26 0.00 0.00 64.21 65.81 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 0.51 4.33 2.47 1.09 -2.89 114.38 119.90 1i11 h ARG 40 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1i11 h ARG 40 Cb 0.86 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.18 1i11 h ARG 40 CO 0.00 0.54 -0.25 2.35 0.56 0.00 0.00 179.97 183.18 1i11 h TRP 41 N 0.00 -0.64 0.00 3.04 2.91 0.36 -2.49 115.95 119.13 1i11 h TRP 41 Ca -0.18 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.83 1i11 h TRP 41 Cb 1.81 0.21 0.00 0.00 -0.51 0.00 0.00 29.16 30.67 1i11 h TRP 41 CO 0.00 -0.40 0.00 0.87 -1.03 0.00 0.00 178.44 177.88 1i11 h LYS 42 N -1.02 0.00 0.00 2.65 1.79 -1.70 0.57 116.57 118.86 1i11 h LYS 42 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1i11 h LYS 42 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1i11 h LYS 42 CO 0.12 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.49 1i11 n ALA 43 N -2.06 2.44 -1.00 3.86 0.00 -1.07 -4.73 120.51 117.95 1i11 n ALA 43 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1i11 n ALA 43 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.24 3.53 0.00 0.00 2.81 0.20 -5.02 117.12 117.40 1i11 n MET 44 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1i11 n MET 44 Cb 0.20 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 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 -5.07 114.28 107.73 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 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.85 0.00 0.17 3.42 2.85 -1.26 -4.89 115.26 113.69 1i11 n ASN 46 Ca 0.00 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.49 1i11 n ASN 46 Cb 0.00 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.31 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 0.00 -0.42 1.20 6.46 -2.02 -0.97 115.31 119.56 1i11 h LEU 47 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1i11 h LEU 47 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1i11 h LEU 47 CO 0.00 0.46 0.00 1.21 -0.62 0.00 0.00 178.44 179.49 1i11 n GLU 48 N -3.81 0.24 0.14 1.25 4.07 -1.26 -2.42 120.64 118.84 1i11 n GLU 48 Ca -0.01 0.34 0.11 0.00 -0.06 0.00 0.00 57.16 57.54 1i11 n GLU 48 Cb 0.51 -1.86 0.06 0.00 -0.06 0.00 0.00 31.44 30.08 1i11 n GLU 48 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1i11 h LYS 49 N 0.00 0.00 -0.51 5.31 6.56 -1.54 -3.35 116.57 123.04 1i11 h LYS 49 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1i11 h LYS 49 Cb 0.53 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1i11 h LYS 49 CO 0.00 0.03 0.23 -0.56 -2.06 0.00 0.00 179.45 177.09 1i11 h GLN 50 N 0.00 0.72 0.08 3.15 -0.00 -1.30 -0.25 115.11 117.51 1i11 h GLN 50 Ca -0.01 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 1i11 h GLN 50 Cb 1.04 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 1i11 h GLN 50 CO 0.00 0.57 -0.04 -1.00 -0.00 0.00 0.00 178.83 178.37 1i11 h PRO 51 N 0.72 -0.10 0.00 0.06 0.13 -1.73 -2.51 132.00 128.56 1i11 h PRO 51 Ca 0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1i11 h PRO 51 Cb 0.10 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1i11 h PRO 51 CO -0.02 0.42 0.00 0.66 -0.23 0.00 0.00 178.00 178.82 1i11 n TYR 52 N -4.81 0.45 0.07 1.56 4.01 -1.22 -0.68 117.16 116.54 1i11 n TYR 52 Ca -0.07 0.21 -0.04 0.00 -0.16 0.00 0.00 57.90 57.84 1i11 n TYR 52 Cb 0.28 -0.84 -0.02 0.00 -0.31 0.00 0.00 39.34 38.45 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 -0.26 -0.09 -0.72 -1.99 -0.90 -2.77 116.97 110.24 1i11 h TYR 53 Ca 0.00 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1i11 h TYR 53 Cb 0.12 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1i11 h TYR 53 CO 0.00 -0.16 -0.34 1.05 -0.00 0.00 0.00 178.16 178.71 1i11 h GLU 54 N -1.00 0.17 0.00 4.88 4.11 -1.13 -1.39 114.58 120.22 1i11 h GLU 54 Ca -0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1i11 h GLU 54 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1i11 h GLU 54 CO 0.05 0.50 0.00 0.93 0.07 0.00 0.00 179.01 180.55 1i11 h GLU 55 N 0.15 0.00 0.00 1.06 5.08 -1.00 -1.31 114.58 118.56 1i11 h GLU 55 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1i11 h GLU 55 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1i11 h GLU 55 CO 0.05 0.00 -0.40 0.37 -1.00 0.00 0.00 179.01 178.03 1i11 h GLN 56 N 0.00 0.00 -0.29 2.33 -0.00 -0.96 -3.11 115.11 113.08 1i11 h GLN 56 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1i11 h GLN 56 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1i11 h GLN 56 CO 0.00 0.22 0.41 0.00 0.00 0.00 0.00 178.83 179.46 1i11 h ALA 57 N -0.84 1.89 0.37 3.38 0.00 -1.36 -0.78 119.26 121.91 1i11 h ALA 57 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1i11 h ALA 57 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i11 h ALA 57 CO -0.03 -0.55 -0.18 0.00 0.00 0.00 0.00 179.25 178.49 1i11 h ARG 58 N 0.00 -0.47 -0.38 0.00 2.47 -1.32 -0.16 114.38 114.52 1i11 h ARG 58 Ca 0.14 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 59.00 1i11 h ARG 58 Cb 0.95 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 1i11 h ARG 58 CO -0.00 -0.32 0.34 1.37 0.56 0.00 0.00 179.97 181.92 1i11 h LEU 59 N -0.86 0.00 -0.13 3.04 8.10 -1.29 1.34 115.31 125.52 1i11 h LEU 59 Ca -0.05 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.80 1i11 h LEU 59 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1i11 h LEU 59 CO 0.08 0.00 -0.45 -1.28 -4.11 0.00 0.00 178.44 172.68 1i11 h SER 60 N 0.00 0.62 0.49 0.17 0.87 -1.10 -1.77 113.55 112.82 1i11 h SER 60 Ca 0.18 -0.61 -0.10 0.00 -1.23 0.00 0.00 61.79 60.03 1i11 h SER 60 Cb 0.86 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1i11 h SER 60 CO -0.00 1.13 -0.48 0.50 -0.53 0.00 0.00 176.83 177.45 1i11 h LYS 61 N 0.14 0.00 0.00 2.24 1.63 0.14 -1.68 116.57 119.04 1i11 h LYS 61 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1i11 h LYS 61 Cb 1.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1i11 h LYS 61 CO 0.10 0.48 0.00 1.04 -3.45 0.00 0.00 179.45 177.61 1i11 n GLN 62 N -3.95 0.22 -0.01 1.90 1.13 0.42 -3.01 117.38 114.08 1i11 n GLN 62 Ca -0.02 0.37 -0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1i11 n GLN 62 Cb 0.50 -1.86 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 1i11 n GLN 62 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1i11 h HIS 63 N 0.00 0.00 -0.95 1.08 2.76 -0.40 -3.30 115.15 114.33 1i11 h HIS 63 Ca 0.00 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.45 1i11 h HIS 63 Cb 0.47 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 29.28 1i11 h HIS 63 CO 0.00 0.00 0.44 -0.07 -1.30 0.00 0.00 177.93 177.00 1i11 h LEU 64 N -0.22 0.32 -2.17 0.26 -0.00 -1.64 2.02 115.31 113.88 1i11 h LEU 64 Ca 0.00 0.19 0.05 0.00 -0.00 0.00 0.00 57.88 58.12 1i11 h LEU 64 Cb 0.02 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1i11 h LEU 64 CO 0.00 -0.12 0.28 1.05 -0.00 0.00 0.00 178.44 179.65 1i11 h GLU 65 N 0.30 0.00 0.05 1.13 4.11 -1.68 0.26 114.58 118.75 1i11 h GLU 65 Ca 0.65 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 60.08 1i11 h GLU 65 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1i11 h GLU 65 CO -0.61 0.00 -0.02 0.87 0.07 0.00 0.00 179.01 179.31 1i11 h LYS 66 N 0.00 -0.07 -1.86 1.06 1.79 0.32 -3.38 116.57 114.43 1i11 h LYS 66 Ca 0.09 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.05 1i11 h LYS 66 Cb 0.65 0.02 -0.41 0.00 -1.58 0.00 0.00 32.23 30.90 1i11 h LYS 66 CO -0.00 0.43 -0.96 0.66 -1.08 0.00 0.00 179.45 178.50 1i11 n TYR 67 N -4.88 2.01 -0.02 -1.35 4.01 -0.53 -4.90 117.16 111.51 1i11 n TYR 67 Ca -0.09 -3.62 -0.00 0.00 -0.16 0.00 0.00 57.90 54.04 1i11 n TYR 67 Cb 0.27 -0.39 -0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1i11 h PRO 68 N 2.94 0.00 -2.57 -0.72 0.13 -0.71 -3.38 132.00 127.69 1i11 h PRO 68 Ca 0.10 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.51 1i11 h PRO 68 Cb 0.85 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.85 1i11 h PRO 68 CO 0.65 0.00 2.27 -0.25 -0.23 0.00 0.00 178.00 180.44 1i11 n ASP 69 N -3.36 7.95 0.00 1.44 8.00 -1.26 -5.10 116.55 124.22 1i11 n ASP 69 Ca -0.00 -3.15 0.01 0.00 0.71 0.00 0.00 54.79 52.36 1i11 n ASP 69 Cb 0.00 -1.35 0.07 0.00 -0.02 0.00 0.00 41.12 39.82 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81