#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 3.33 -3.12 6.00 1.44 -1.26 -4.89 115.22 116.71 1i11 n HIS 2 Ca 0.00 -2.94 -0.39 0.00 -2.01 0.00 0.00 57.72 52.37 1i11 n HIS 2 Cb 0.00 -0.42 -0.01 0.00 0.12 0.00 0.00 29.99 29.68 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 -0.48 4.62 -2.47 0.61 -5.35 -1.26 -4.96 119.36 110.07 1i11 n ILE 3 Ca 0.43 -5.75 -0.39 0.00 -0.27 0.00 0.00 62.75 56.76 1i11 n ILE 3 Cb 0.52 -2.11 -0.02 0.00 -1.74 0.00 0.00 39.64 36.30 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 -2.65 3.60 0.00 6.28 -0.14 -1.26 -4.95 119.74 120.62 1i11 s LYS 4 Ca 0.33 -1.57 -0.23 0.00 -1.36 0.00 0.00 55.97 53.14 1i11 s LYS 4 Cb 0.06 -5.43 -0.05 0.00 -1.68 0.00 0.00 37.83 30.73 1i11 s LYS 4 CO 0.07 -2.56 0.69 -0.98 -0.76 0.00 0.00 175.35 171.81 1i11 s ARG 5 N 4.89 4.42 -1.12 1.68 1.70 -1.26 -4.63 118.95 124.63 1i11 s ARG 5 Ca 0.55 0.90 -0.21 0.00 -0.47 0.00 0.00 55.73 56.50 1i11 s ARG 5 Cb 0.02 -3.37 0.06 0.00 -0.57 0.00 0.00 34.95 31.09 1i11 s ARG 5 CO 0.04 0.27 1.54 -1.25 -1.08 0.00 0.00 175.30 174.82 1i11 s PRO 6 N 0.07 3.74 -0.24 3.89 0.04 -1.26 -4.71 135.00 136.53 1i11 s PRO 6 Ca 0.35 -1.47 -0.11 0.00 0.04 0.00 0.00 61.00 59.81 1i11 s PRO 6 Cb -0.19 -5.41 -0.17 0.00 0.04 0.00 0.00 34.50 28.78 1i11 s PRO 6 CO 0.20 -2.21 -0.11 -1.33 0.04 0.00 0.00 177.00 173.59 1i11 n MET 7 N 8.60 0.62 -3.58 4.56 2.81 -1.26 -5.02 117.12 123.86 1i11 n MET 7 Ca 0.38 0.30 0.03 0.00 -1.81 0.00 0.00 57.70 56.60 1i11 n MET 7 Cb 0.49 -1.58 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1i11 n MET 7 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1i11 s ASN 8 N -7.07 -0.01 0.48 7.83 3.84 -1.26 -4.98 114.94 113.76 1i11 s ASN 8 Ca -0.34 -0.02 0.25 0.00 0.21 0.00 0.00 52.86 52.96 1i11 s ASN 8 Cb 0.11 0.03 1.22 0.00 -0.55 0.00 0.00 41.25 42.05 1i11 s ASN 8 CO 0.57 -0.05 1.98 0.00 -2.79 0.00 0.00 177.10 176.81 1i11 h ALA 9 N 2.00 1.22 0.46 1.71 0.00 -1.86 -2.22 119.26 120.58 1i11 h ALA 9 Ca -0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1i11 h ALA 9 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i11 h ALA 9 CO 0.28 0.23 -0.22 0.35 0.00 0.00 0.00 179.25 179.88 1i11 h PHE 10 N 0.00 -0.57 0.00 0.00 3.04 -1.94 2.31 116.94 119.78 1i11 h PHE 10 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1i11 h PHE 10 Cb 0.48 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1i11 h PHE 10 CO 0.00 -0.36 0.00 0.52 -2.02 0.00 0.00 178.31 176.45 1i11 h MET 11 N -0.82 0.00 0.07 1.11 0.00 -1.94 2.45 114.93 115.79 1i11 h MET 11 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.48 1i11 h MET 11 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.07 1i11 h MET 11 CO 0.10 0.00 -0.80 0.28 0.00 0.00 0.00 176.91 176.49 1i11 h VAL 12 N 0.00 1.37 0.15 -2.22 2.07 -1.00 -2.18 116.25 114.43 1i11 h VAL 12 Ca 0.00 -2.38 -0.29 0.00 0.82 0.00 0.00 66.70 64.85 1i11 h VAL 12 Cb 0.13 2.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1i11 h VAL 12 CO 0.00 0.61 -1.30 -0.25 0.02 0.00 0.00 177.57 176.65 1i11 h TRP 13 N -0.66 0.56 0.00 1.57 7.01 0.50 -3.24 115.95 121.69 1i11 h TRP 13 Ca -0.18 -0.41 -0.06 0.00 2.11 0.00 0.00 58.89 60.35 1i11 h TRP 13 Cb 1.42 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.45 1i11 h TRP 13 CO 0.19 1.33 -0.30 0.00 -2.79 0.00 0.00 178.44 176.87 1i11 h ALA 14 N 0.51 1.01 0.00 2.65 0.00 0.40 0.28 119.26 124.11 1i11 h ALA 14 Ca -0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1i11 h ALA 14 Cb 2.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1i11 h ALA 14 CO 0.21 0.38 -0.23 1.57 0.00 0.00 0.00 179.25 181.18 1i11 h LYS 15 N 0.00 0.00 0.02 0.00 2.10 -1.41 1.74 116.57 119.02 1i11 h LYS 15 Ca -0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1i11 h LYS 15 Cb 0.83 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.10 1i11 h LYS 15 CO 0.04 0.23 -2.16 -3.47 -2.00 0.00 0.00 179.45 172.09 1i11 n ASP 16 N -3.69 0.93 -0.09 7.07 2.03 -0.97 -2.45 116.55 119.39 1i11 n ASP 16 Ca -0.01 0.12 -0.11 0.00 0.52 0.00 0.00 54.79 55.31 1i11 n ASP 16 Cb 0.35 0.16 0.02 0.00 -0.72 0.00 0.00 41.12 40.93 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1i11 h GLU 17 N 0.01 0.83 0.04 -0.67 4.39 -0.04 1.83 114.58 120.97 1i11 h GLU 17 Ca -0.46 -0.42 -0.25 0.00 0.34 0.00 0.00 59.36 58.57 1i11 h GLU 17 Cb 2.09 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.75 1i11 h GLU 17 CO 0.03 1.06 -1.04 0.07 -1.16 0.00 0.00 179.01 177.97 1i11 h ARG 18 N 0.68 0.43 -0.40 2.33 -0.00 0.25 0.14 114.38 117.81 1i11 h ARG 18 Ca 0.06 -0.51 -0.12 0.00 -0.00 0.00 0.00 59.98 59.41 1i11 h ARG 18 Cb 0.94 0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 31.05 1i11 h ARG 18 CO 0.09 1.17 -0.25 0.00 -0.00 0.00 0.00 179.97 180.98 1i11 h ARG 19 N 0.22 0.81 0.00 0.08 3.08 -1.26 2.15 114.38 119.46 1i11 h ARG 19 Ca -0.10 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.55 1i11 h ARG 19 Cb 1.69 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.71 1i11 h ARG 19 CO 0.18 0.98 -0.21 0.87 -1.07 0.00 0.00 179.97 180.72 1i11 h LYS 20 N 0.70 0.00 0.03 0.04 1.57 0.30 -2.95 116.57 116.27 1i11 h LYS 20 Ca 0.09 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.48 1i11 h LYS 20 Cb 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 1i11 h LYS 20 CO 0.06 0.21 -2.30 -0.89 -0.57 0.00 0.00 179.45 175.97 1i11 n ILE 21 N -3.33 1.57 -0.27 1.86 -0.00 0.46 -4.06 119.36 115.58 1i11 n ILE 21 Ca 0.00 -0.52 0.28 0.00 -0.00 0.00 0.00 62.75 62.51 1i11 n ILE 21 Cb 0.44 -1.61 0.65 0.00 -0.00 0.00 0.00 39.64 39.12 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 -0.21 0.17 -0.76 1.39 5.85 0.35 2.74 115.31 124.84 1i11 h LEU 22 Ca -0.55 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 1i11 h LEU 22 Cb 1.85 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1i11 h LEU 22 CO -0.11 0.04 0.16 0.06 -0.34 0.00 0.00 178.44 178.26 1i11 h GLN 23 N 0.16 1.11 0.00 1.25 3.07 -1.68 2.09 115.11 121.11 1i11 h GLN 23 Ca 0.52 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1i11 h GLN 23 Cb 1.77 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 29.18 1i11 h GLN 23 CO -0.11 0.98 -0.21 0.00 0.09 0.00 0.00 178.83 179.57 1i11 h ALA 24 N 1.12 0.87 -1.28 0.06 0.00 0.36 -3.37 119.26 117.02 1i11 h ALA 24 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.71 1i11 h ALA 24 Cb 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.87 1i11 h ALA 24 CO 0.00 0.00 -0.84 1.19 0.00 0.00 0.00 179.25 179.60 1i11 n PHE 25 N -2.51 -1.68 0.71 0.00 3.72 0.73 -4.95 117.46 113.48 1i11 n PHE 25 Ca 0.04 -2.77 0.06 0.00 -0.05 0.00 0.00 57.45 54.74 1i11 n PHE 25 Cb 0.47 0.49 0.35 0.00 -0.94 0.00 0.00 39.48 39.86 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 1.73 0.30 -0.09 -1.08 -0.04 0.69 -1.66 135.00 134.85 1i11 n PRO 26 Ca 0.18 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1i11 n PRO 26 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.13 0.99 -4.56 3.54 8.00 -1.26 -4.77 116.55 117.36 1i11 n ASP 27 Ca 0.08 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.38 1i11 n ASP 27 Cb 0.07 0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.41 1.88 0.77 -1.24 1.75 -0.66 -4.90 119.30 114.48 1i11 s MET 28 Ca -0.11 0.34 -0.11 0.00 -1.25 0.00 0.00 55.69 54.56 1i11 s MET 28 Cb 0.05 -4.84 0.05 0.00 2.84 0.00 0.00 34.83 32.94 1i11 s MET 28 CO 0.67 -4.10 1.08 -3.38 -0.65 0.00 0.00 175.02 168.65 1i11 s HIS 29 N 13.38 2.85 0.00 4.11 -3.43 -1.26 -4.27 115.29 126.67 1i11 s HIS 29 Ca 0.87 1.33 0.00 0.00 -0.80 0.00 0.00 55.06 56.45 1i11 s HIS 29 Cb -0.11 -3.02 0.00 0.00 -1.43 0.00 0.00 32.58 28.01 1i11 s HIS 29 CO 0.07 -1.64 0.64 -1.71 -2.00 0.00 0.00 174.74 170.11 1i11 n ASN 30 N -3.38 0.00 -0.52 7.38 5.15 -1.26 0.91 115.26 123.54 1i11 n ASN 30 Ca 0.07 0.64 0.39 0.00 -0.60 0.00 0.00 54.58 55.09 1i11 n ASN 30 Cb 0.55 -0.30 0.61 0.00 -0.53 0.00 0.00 39.78 40.11 1i11 n ASN 30 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1i11 n SER 31 N -2.42 0.02 -0.12 1.20 7.64 -1.26 0.14 113.62 118.81 1i11 n SER 31 Ca 0.00 0.78 -0.23 0.00 1.01 0.00 0.00 58.87 60.44 1i11 n SER 31 Cb 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.72 1i11 n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1i11 n ASN 32 N -3.54 1.91 0.24 6.43 3.02 0.26 -4.04 115.26 119.54 1i11 n ASN 32 Ca 0.33 0.39 0.18 0.00 -0.03 0.00 0.00 54.58 55.46 1i11 n ASN 32 Cb 1.48 -0.87 0.84 0.00 -0.61 0.00 0.00 39.78 40.62 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 -1.00 0.21 -0.25 2.41 1.08 0.26 -0.45 117.51 119.77 1i11 h ILE 33 Ca -0.45 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 1i11 h ILE 33 Cb 1.35 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 1i11 h ILE 33 CO -0.27 0.00 -0.03 0.28 -0.69 0.00 0.00 178.15 177.44 1i11 h SER 34 N 0.00 -0.17 0.96 1.72 0.02 0.10 1.26 113.55 117.44 1i11 h SER 34 Ca 0.07 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1i11 h SER 34 Cb 0.67 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 1i11 h SER 34 CO -0.00 -0.05 -0.16 0.07 -1.14 0.00 0.00 176.83 175.55 1i11 h LYS 35 N 0.04 0.00 0.05 3.45 2.10 -1.27 0.21 116.57 121.15 1i11 h LYS 35 Ca 0.12 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1i11 h LYS 35 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1i11 h LYS 35 CO -0.23 0.16 -0.03 0.82 -2.00 0.00 0.00 179.45 178.17 1i11 h ILE 36 N 0.00 1.29 0.41 0.07 5.03 -0.50 -0.90 117.51 122.91 1i11 h ILE 36 Ca -0.00 -1.32 -0.02 0.00 -0.12 0.00 0.00 64.86 63.40 1i11 h ILE 36 Cb 0.68 2.14 0.00 0.00 -3.03 0.00 0.00 36.82 36.61 1i11 h ILE 36 CO 0.02 0.32 -0.20 -0.07 -0.68 0.00 0.00 178.15 177.55 1i11 h LEU 37 N -0.68 -0.47 -0.82 1.44 3.38 0.17 1.56 115.31 119.89 1i11 h LEU 37 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1i11 h LEU 37 Cb 0.58 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1i11 h LEU 37 CO 0.01 -0.28 0.02 0.61 0.09 0.00 0.00 178.44 178.90 1i11 n GLY 38 N -1.13 -0.70 0.01 0.83 0.00 0.70 0.26 105.19 105.16 1i11 n GLY 38 Ca -0.11 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1i11 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i11 n SER 39 N -1.93 1.02 0.01 1.61 7.64 -0.25 -3.18 113.62 118.54 1i11 n SER 39 Ca -0.01 -0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.56 1i11 n SER 39 Cb 0.04 1.62 -0.14 0.00 -1.01 0.00 0.00 64.21 64.72 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1i11 h ARG 40 N 0.00 0.10 0.61 1.43 2.47 0.87 -3.05 114.38 116.81 1i11 h ARG 40 Ca 0.00 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 1i11 h ARG 40 Cb 0.70 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1i11 h ARG 40 CO 0.00 0.80 -0.29 2.35 0.56 0.00 0.00 179.97 183.38 1i11 h TRP 41 N 0.03 -0.76 -0.05 3.04 2.91 0.34 -2.16 115.95 119.30 1i11 h TRP 41 Ca -0.29 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 59.73 1i11 h TRP 41 Cb 2.00 0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 30.90 1i11 h TRP 41 CO 0.03 -0.47 0.22 -0.22 -1.03 0.00 0.00 178.44 176.96 1i11 h LYS 42 N -1.07 0.00 -0.81 2.65 3.64 -1.71 0.61 116.57 119.88 1i11 h LYS 42 Ca -0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1i11 h LYS 42 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1i11 h LYS 42 CO 0.14 0.00 0.03 0.00 -2.27 0.00 0.00 179.45 177.34 1i11 n ALA 43 N -2.04 3.25 -1.84 5.00 0.00 -0.84 -4.79 120.51 119.24 1i11 n ALA 43 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1i11 n ALA 43 Cb 0.29 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.25 0.00 -0.26 0.00 0.00 0.21 -4.96 117.12 112.37 1i11 n MET 44 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1i11 n MET 44 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.96 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 0.00 0.00 3.17 -2.24 -1.26 -5.01 114.28 108.94 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 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.00 0.00 0.00 3.42 5.15 -1.26 -3.90 115.26 118.67 1i11 n ASN 46 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1i11 n ASN 46 Cb 0.60 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.36 1i11 n ASN 46 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1i11 n LEU 47 N 0.00 0.00 -0.07 1.20 7.94 -1.26 -2.35 117.00 122.45 1i11 n LEU 47 Ca 0.00 0.32 0.15 0.00 -1.11 0.00 0.00 56.01 55.37 1i11 n LEU 47 Cb 0.00 -0.32 0.69 0.00 0.53 0.00 0.00 43.42 44.31 1i11 n LEU 47 CO 0.00 -0.10 0.94 -0.62 -1.11 0.00 0.00 177.39 176.50 1i11 n GLU 48 N -1.32 0.64 0.03 1.96 1.02 -1.25 -3.37 120.64 118.34 1i11 n GLU 48 Ca 0.09 -0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1i11 n GLU 48 Cb 0.18 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.54 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i11 n LYS 49 N -1.05 0.09 -0.22 3.49 5.02 -0.99 -4.15 118.16 120.34 1i11 n LYS 49 Ca 0.15 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.48 1i11 n LYS 49 Cb 0.25 -1.58 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.05 -0.00 1.97 4.20 -1.78 0.41 115.11 119.87 1i11 h GLN 50 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1i11 h GLN 50 Cb 0.58 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1i11 h GLN 50 CO 0.00 -0.03 -0.05 -1.00 -0.67 0.00 0.00 178.83 177.08 1i11 h PRO 51 N -0.05 0.04 0.00 1.46 0.13 -1.87 -2.68 132.00 129.02 1i11 h PRO 51 Ca 0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1i11 h PRO 51 Cb 0.52 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1i11 h PRO 51 CO -0.69 0.80 0.00 0.66 -0.23 0.00 0.00 178.00 178.53 1i11 n TYR 52 N -4.68 0.26 -0.04 1.56 4.01 -1.06 0.73 117.16 117.95 1i11 n TYR 52 Ca -0.09 0.12 -0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1i11 n TYR 52 Cb 0.40 -0.70 -0.00 0.00 -0.31 0.00 0.00 39.34 38.73 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 0.05 -0.07 -3.22 116.97 113.01 1i11 h TYR 53 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1i11 h TYR 53 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1i11 h TYR 53 CO 0.00 0.00 -0.07 1.05 -1.05 0.00 0.00 178.16 178.09 1i11 h GLU 54 N -0.66 0.00 0.00 4.88 4.11 -1.28 -0.33 114.58 121.29 1i11 h GLU 54 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1i11 h GLU 54 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1i11 h GLU 54 CO 0.00 0.07 -0.02 0.93 0.07 0.00 0.00 179.01 180.06 1i11 h GLU 55 N 0.00 0.00 0.18 1.06 4.39 0.20 0.30 114.58 120.71 1i11 h GLU 55 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1i11 h GLU 55 Cb 0.35 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1i11 h GLU 55 CO 0.01 0.02 -1.32 -0.56 -1.16 0.00 0.00 179.01 176.00 1i11 h GLN 56 N 0.00 0.38 0.00 2.33 -0.00 -1.06 -2.60 115.11 114.17 1i11 h GLN 56 Ca -0.00 -0.66 -0.07 0.00 -0.00 0.00 0.00 58.65 57.93 1i11 h GLN 56 Cb 0.25 0.24 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 1i11 h GLN 56 CO 0.00 1.31 -0.32 0.00 -0.00 0.00 0.00 178.83 179.83 1i11 h ALA 57 N 0.08 1.25 0.52 0.06 0.00 -1.33 -2.65 119.26 117.19 1i11 h ALA 57 Ca -0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1i11 h ALA 57 Cb 1.92 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.66 1i11 h ALA 57 CO 0.18 0.40 -0.25 0.00 0.00 0.00 0.00 179.25 179.58 1i11 h ARG 58 N 0.00 -0.67 0.00 0.00 3.08 -0.45 -2.82 114.38 113.53 1i11 h ARG 58 Ca -0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1i11 h ARG 58 Cb 0.66 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1i11 h ARG 58 CO 0.04 -0.45 0.31 1.37 -1.07 0.00 0.00 179.97 180.17 1i11 h LEU 59 N -1.12 0.00 -0.16 3.04 8.10 -1.44 0.46 115.31 124.19 1i11 h LEU 59 Ca -0.07 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.69 1i11 h LEU 59 Cb 0.53 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1i11 h LEU 59 CO 0.12 0.00 -0.91 0.77 -4.11 0.00 0.00 178.44 174.31 1i11 h SER 60 N 0.00 0.69 0.26 0.17 4.64 -1.23 -0.13 113.55 117.95 1i11 h SER 60 Ca 0.00 -0.52 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1i11 h SER 60 Cb 0.61 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1i11 h SER 60 CO 0.00 1.31 -0.12 0.50 -0.87 0.00 0.00 176.83 177.65 1i11 h LYS 61 N 0.33 -0.34 0.00 4.77 1.63 0.11 -3.08 116.57 120.00 1i11 h LYS 61 Ca -0.08 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1i11 h LYS 61 Cb 1.54 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.24 1i11 h LYS 61 CO 0.17 0.02 -0.19 -0.56 -3.45 0.00 0.00 179.45 175.44 1i11 h GLN 62 N -0.79 0.00 0.37 1.90 3.07 -1.53 -2.93 115.11 115.20 1i11 h GLN 62 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 1i11 h GLN 62 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.06 1i11 h GLN 62 CO 0.06 0.19 -0.25 1.25 0.09 0.00 0.00 178.83 180.17 1i11 h HIS 63 N 0.00 -0.66 0.31 0.06 2.76 -0.93 0.14 115.15 116.83 1i11 h HIS 63 Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1i11 h HIS 63 Cb 0.47 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1i11 h HIS 63 CO 0.00 -0.36 -0.21 -0.07 -1.30 0.00 0.00 177.93 175.99 1i11 h LEU 64 N -0.58 -0.54 -2.12 0.26 3.38 -1.55 0.18 115.31 114.34 1i11 h LEU 64 Ca -0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1i11 h LEU 64 Cb 0.47 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1i11 h LEU 64 CO 0.04 -0.33 0.31 1.05 0.09 0.00 0.00 178.44 179.60 1i11 h GLU 65 N -0.51 0.00 0.00 1.13 -0.00 -1.53 -2.03 114.58 111.63 1i11 h GLU 65 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.31 1i11 h GLU 65 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.18 1i11 h GLU 65 CO 0.01 0.00 -0.21 0.87 -0.00 0.00 0.00 179.01 179.68 1i11 h LYS 66 N 0.00 0.00 -2.99 1.06 1.79 0.12 -3.43 116.57 113.12 1i11 h LYS 66 Ca 0.07 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.93 1i11 h LYS 66 Cb 0.69 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.94 1i11 h LYS 66 CO -0.00 0.38 -0.73 0.71 -1.08 0.00 0.00 179.45 178.73 1i11 s TYR 67 N -1.93 2.22 0.00 -1.35 1.51 0.44 -4.99 117.35 113.24 1i11 s TYR 67 Ca -0.11 -2.60 0.00 0.00 -1.01 0.00 0.00 57.07 53.35 1i11 s TYR 67 Cb 0.00 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1i11 s TYR 67 CO 0.29 -0.75 0.02 -0.35 -1.11 0.00 0.00 175.55 173.64 1i11 n PRO 68 N 3.25 0.00 0.00 -1.71 -0.04 -0.98 -4.67 135.00 130.84 1i11 n PRO 68 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1i11 n PRO 68 Cb 0.35 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.31 0.00 0.00 3.54 2.03 -1.26 -5.10 116.55 115.45 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 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1i11 n ASP 69 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06