#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ia9 n ALA 0 N 0.00 0.00 -3.55 -2.53 0.00 -1.26 -5.32 120.51 107.86 2ia9 n ALA 0 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2ia9 n ALA 0 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2ia9 n ALA 0 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2ia9 s GLU 2 N 2.00 0.69 -0.69 0.00 -1.05 -1.26 -5.09 118.70 113.29 2ia9 s GLU 2 Ca 0.00 -0.01 -0.21 0.00 -0.15 0.00 0.00 54.97 54.59 2ia9 s GLU 2 Cb 0.00 0.32 0.09 0.00 -0.44 0.00 0.00 34.13 34.10 2ia9 s GLU 2 CO 0.00 -0.25 0.95 0.08 0.95 0.00 0.00 175.26 176.99 2ia9 s VAL 3 N -1.87 4.46 0.08 1.83 1.01 -1.26 -1.74 120.40 122.91 2ia9 s VAL 3 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 2ia9 s VAL 3 Cb -0.01 -4.67 -0.10 0.00 0.00 0.00 0.00 36.38 31.60 2ia9 s VAL 3 CO -0.02 -1.42 1.54 0.74 0.00 0.00 0.00 175.10 175.94 2ia9 h THR 4 N 5.95 1.23 -4.22 3.92 2.02 -0.89 -3.47 112.91 117.46 2ia9 h THR 4 Ca -0.21 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.08 2ia9 h THR 4 Cb 1.07 1.35 -0.15 0.00 -1.74 0.00 0.00 68.15 68.68 2ia9 h THR 4 CO 1.16 0.24 -0.66 -0.62 0.37 0.00 0.00 175.52 176.00 2ia9 s ASP 5 N -5.78 0.47 -0.04 4.18 2.15 -1.21 -4.98 116.67 111.45 2ia9 s ASP 5 Ca -0.14 -0.98 -0.02 0.00 0.43 0.00 0.00 52.55 51.85 2ia9 s ASP 5 Cb 0.07 0.21 0.03 0.00 -0.30 0.00 0.00 42.92 42.92 2ia9 s ASP 5 CO 0.72 -0.60 0.04 -0.69 -0.17 0.00 0.00 175.17 174.47 2ia9 s VAL 6 N -3.90 -0.00 -0.05 1.11 1.01 -1.26 -1.90 120.40 115.40 2ia9 s VAL 6 Ca 0.07 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.45 2ia9 s VAL 6 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 2ia9 s VAL 6 CO -0.10 0.19 -0.23 -0.13 0.00 0.00 0.00 175.10 174.82 2ia9 s ARG 7 N 1.99 2.46 0.20 2.72 0.52 0.11 -4.96 118.95 121.99 2ia9 s ARG 7 Ca 0.03 -0.87 0.10 0.00 -0.52 0.00 0.00 55.73 54.47 2ia9 s ARG 7 Cb -0.12 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 2ia9 s ARG 7 CO -0.03 0.46 -0.14 -0.51 0.02 0.00 0.00 175.30 175.10 2ia9 s LEU 8 N -0.35 2.81 0.24 2.53 1.02 -1.26 -0.58 118.68 123.08 2ia9 s LEU 8 Ca 0.02 -0.71 -0.20 0.00 0.02 0.00 0.00 54.13 53.26 2ia9 s LEU 8 Cb -0.12 -1.47 0.03 0.00 0.02 0.00 0.00 46.19 44.64 2ia9 s LEU 8 CO 0.02 0.09 0.65 0.00 0.02 0.00 0.00 176.35 177.13 2ia9 s ARG 9 N -2.93 1.59 -1.62 1.70 1.70 0.30 -4.93 118.95 114.76 2ia9 s ARG 9 Ca 0.25 -0.86 -0.11 0.00 -0.47 0.00 0.00 55.73 54.53 2ia9 s ARG 9 Cb -0.08 0.58 0.10 0.00 -0.57 0.00 0.00 34.95 34.99 2ia9 s ARG 9 CO 0.14 -0.71 0.54 0.54 -1.08 0.00 0.00 175.30 174.73 2ia9 n ARG 10 N -0.42 -2.54 -2.23 3.89 1.74 -1.26 0.19 116.66 116.03 2ia9 n ARG 10 Ca -0.08 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 2ia9 n ARG 10 Cb 0.61 -4.66 -0.03 0.00 -1.02 0.00 0.00 32.46 27.36 2ia9 n ARG 10 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ia9 s VAL 11 N -3.64 3.81 -1.63 1.55 1.01 -1.26 -3.55 120.40 116.70 2ia9 s VAL 11 Ca 0.44 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2ia9 s VAL 11 Cb -0.24 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ia9 s VAL 11 CO 0.94 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 176.60 2ia9 n ASN 12 N 5.90 -5.39 0.02 3.32 5.03 0.24 -4.87 115.26 119.52 2ia9 n ASN 12 Ca 0.14 0.02 0.12 0.00 0.87 0.00 0.00 54.58 55.73 2ia9 n ASN 12 Cb 0.44 -4.46 0.24 0.00 -1.02 0.00 0.00 39.78 34.98 2ia9 n ASN 12 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2ia9 n THR 13 N -3.91 0.14 -3.77 3.41 5.66 -1.23 -4.85 114.28 109.74 2ia9 n THR 13 Ca -0.22 -0.11 -0.13 0.00 -3.05 0.00 0.00 64.05 60.54 2ia9 n THR 13 Cb 0.66 0.05 -0.10 0.00 -1.55 0.00 0.00 70.33 69.40 2ia9 n THR 13 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ia9 s ASP 14 N -3.50 -0.27 0.37 1.09 -1.08 -1.26 -5.06 116.67 106.96 2ia9 s ASP 14 Ca 0.09 0.43 0.28 0.00 -0.52 0.00 0.00 52.55 52.82 2ia9 s ASP 14 Cb 0.16 0.52 1.11 0.00 -1.46 0.00 0.00 42.92 43.26 2ia9 s ASP 14 CO 0.70 -0.24 1.82 1.23 0.52 0.00 0.00 175.17 179.20 2ia9 h GLY 15 N 4.99 0.00 -2.04 2.66 0.00 -2.02 -3.33 103.07 103.32 2ia9 h GLY 15 Ca -0.28 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 2ia9 h GLY 15 CO 0.34 0.00 -0.23 0.54 0.00 0.00 0.00 176.54 177.19 2ia9 n ARG 16 N -2.58 1.98 0.00 4.80 3.00 -1.26 -4.80 116.66 117.80 2ia9 n ARG 16 Ca 0.02 -3.33 0.00 0.00 -0.01 0.00 0.00 57.85 54.53 2ia9 n ARG 16 Cb 0.27 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 30.90 2ia9 n ARG 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ia9 n ARG 18 N -1.08 0.00 -3.60 5.56 5.12 -0.24 -1.46 116.66 120.96 2ia9 n ARG 18 Ca 0.32 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.16 2ia9 n ARG 18 Cb 0.94 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.19 2ia9 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ia9 s ALA 19 N -0.29 -1.98 -0.13 7.54 0.00 -1.23 0.80 121.76 126.46 2ia9 s ALA 19 Ca 0.00 1.67 -0.10 0.00 0.00 0.00 0.00 51.96 53.53 2ia9 s ALA 19 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2ia9 s ALA 19 CO 0.00 -0.28 0.20 0.42 0.00 0.00 0.00 175.76 176.10 2ia9 s ILE 20 N -0.97 5.39 0.11 0.00 1.01 0.13 -1.75 121.20 125.12 2ia9 s ILE 20 Ca 0.01 0.34 0.10 0.00 0.00 0.00 0.00 60.65 61.11 2ia9 s ILE 20 Cb -0.01 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2ia9 s ILE 20 CO -0.01 0.52 -0.24 0.00 0.00 0.00 0.00 174.94 175.21 2ia9 s ALA 21 N -0.38 2.47 -0.05 9.38 0.00 0.82 -0.54 121.76 133.46 2ia9 s ALA 21 Ca 0.14 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.74 2ia9 s ALA 21 Cb -0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 2ia9 s ALA 21 CO 0.03 0.56 -0.17 -1.12 0.00 0.00 0.00 175.76 175.07 2ia9 s SER 22 N -1.98 2.13 0.29 0.00 0.01 0.25 -2.76 113.70 111.63 2ia9 s SER 22 Ca 0.15 -0.35 0.10 0.00 1.31 0.00 0.00 55.95 57.16 2ia9 s SER 22 Cb -0.10 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 2ia9 s SER 22 CO 0.07 0.14 -0.06 0.27 0.41 0.00 0.00 173.24 174.07 2ia9 s ILE 23 N 0.13 2.99 -0.08 1.44 -4.36 -0.78 -0.71 121.20 119.83 2ia9 s ILE 23 Ca -0.06 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2ia9 s ILE 23 Cb -0.12 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 40.93 2ia9 s ILE 23 CO 0.03 -0.34 -0.14 -0.89 0.24 0.00 0.00 174.94 173.83 2ia9 s THR 24 N -2.42 1.33 -0.13 8.37 2.01 -0.80 -1.45 115.64 122.55 2ia9 s THR 24 Ca 0.32 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 2ia9 s THR 24 Cb -0.05 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2ia9 s THR 24 CO 0.18 0.40 0.05 -0.76 -0.69 0.00 0.00 174.62 173.80 2ia9 s LEU 25 N 0.73 3.79 -1.59 4.42 1.43 0.21 -0.15 118.68 127.53 2ia9 s LEU 25 Ca -0.13 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2ia9 s LEU 25 Cb -0.16 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.21 2ia9 s LEU 25 CO 0.03 0.29 0.33 0.47 0.23 0.00 0.00 176.35 177.70 2ia9 n ASP 26 N 2.75 -0.49 0.00 2.29 8.00 -0.71 -1.49 116.55 126.90 2ia9 n ASP 26 Ca -0.18 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.16 2ia9 n ASP 26 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.45 2ia9 n ASP 26 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ia9 n HIS 27 N -4.42 0.00 0.00 1.24 8.25 -1.26 -4.54 115.22 114.49 2ia9 n HIS 27 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2ia9 n HIS 27 Cb 0.62 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.74 2ia9 n HIS 27 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2ia9 n GLU 28 N -1.90 0.87 -4.06 -0.41 1.02 -0.55 -5.01 120.64 110.60 2ia9 n GLU 28 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 2ia9 n GLU 28 Cb 0.00 -0.96 -0.17 0.00 -0.02 0.00 0.00 31.44 30.29 2ia9 n GLU 28 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2ia9 s PHE 29 N -1.84 1.00 -0.08 -0.32 2.19 -0.62 -4.98 117.98 113.32 2ia9 s PHE 29 Ca 0.00 -0.37 -0.00 0.00 0.33 0.00 0.00 56.93 56.89 2ia9 s PHE 29 Cb 0.00 -0.89 -0.03 0.00 -1.31 0.00 0.00 43.02 40.79 2ia9 s PHE 29 CO 0.00 -0.31 -0.05 0.08 1.83 0.00 0.00 175.22 176.76 2ia9 s VAL 30 N 1.34 3.83 -0.10 3.12 1.01 -1.26 0.67 120.40 129.01 2ia9 s VAL 30 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2ia9 s VAL 30 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 2ia9 s VAL 30 CO -0.03 0.59 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 2ia9 s VAL 31 N -0.68 2.18 0.00 2.92 1.01 -0.53 -4.99 120.40 120.30 2ia9 s VAL 31 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2ia9 s VAL 31 Cb -0.11 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2ia9 s VAL 31 CO 0.02 0.56 0.00 1.41 0.00 0.00 0.00 175.10 177.08 2ia9 n HIS 32 N 3.53 -0.45 -1.29 5.22 8.25 -1.26 -1.87 115.22 127.35 2ia9 n HIS 32 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2ia9 n HIS 32 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2ia9 n HIS 32 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2ia9 n ASP 33 N -0.47 -0.38 -4.77 0.41 8.00 -1.25 -4.57 116.55 113.52 2ia9 n ASP 33 Ca 0.00 0.19 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 2ia9 n ASP 33 Cb 0.00 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 2ia9 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ia9 s ILE 34 N -0.96 3.41 -0.04 0.53 1.01 -1.11 -3.74 121.20 120.30 2ia9 s ILE 34 Ca 0.00 1.24 0.04 0.00 0.00 0.00 0.00 60.65 61.93 2ia9 s ILE 34 Cb 0.00 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 2ia9 s ILE 34 CO 0.00 0.16 -0.16 -0.13 0.00 0.00 0.00 174.94 174.81 2ia9 s ARG 35 N -2.05 1.69 -0.35 2.79 0.52 0.09 -0.13 118.95 121.51 2ia9 s ARG 35 Ca 0.53 -0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 54.99 2ia9 s ARG 35 Cb -0.29 -1.47 -0.00 0.00 0.52 0.00 0.00 34.95 33.70 2ia9 s ARG 35 CO 0.37 0.23 0.51 0.08 0.02 0.00 0.00 175.30 176.50 2ia9 s VAL 36 N 0.06 5.02 -0.06 3.52 1.01 -0.71 0.78 120.40 130.02 2ia9 s VAL 36 Ca -0.04 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2ia9 s VAL 36 Cb -0.11 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2ia9 s VAL 36 CO 0.02 -0.20 -0.21 -0.63 0.00 0.00 0.00 175.10 174.07 2ia9 s ILE 37 N 2.38 2.39 -0.82 2.22 1.01 -0.66 -1.08 121.20 126.64 2ia9 s ILE 37 Ca 0.19 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 2ia9 s ILE 37 Cb -0.15 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.51 2ia9 s ILE 37 CO 0.13 0.57 1.10 -0.62 0.00 0.00 0.00 174.94 176.13 2ia9 s ASP 38 N -0.30 6.40 0.33 3.58 2.15 -0.54 -0.39 116.67 127.90 2ia9 s ASP 38 Ca 0.01 -1.47 0.00 0.00 0.43 0.00 0.00 52.55 51.53 2ia9 s ASP 38 Cb -0.13 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2ia9 s ASP 38 CO 0.02 -1.31 0.00 0.61 -0.17 0.00 0.00 175.17 174.33 2ia9 n GLY 39 N 5.59 -2.23 0.23 2.66 0.00 -0.84 -4.84 105.19 105.76 2ia9 n GLY 39 Ca 0.13 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.86 2ia9 n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ia9 n ASN 40 N -0.98 0.72 -1.60 1.61 2.04 -1.26 -3.76 115.26 112.02 2ia9 n ASN 40 Ca 0.00 -1.37 -0.01 0.00 -0.44 0.00 0.00 54.58 52.76 2ia9 n ASN 40 Cb 0.00 -0.02 0.08 0.00 -2.53 0.00 0.00 39.78 37.31 2ia9 n ASN 40 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2ia9 n ASN 41 N -0.38 1.99 0.00 0.53 3.02 -1.26 -5.11 115.26 114.04 2ia9 n ASN 41 Ca 0.19 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 2ia9 n ASN 41 Cb 0.20 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2ia9 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ia9 n GLY 42 N -0.39 -0.77 3.76 7.41 0.00 -1.25 -4.97 105.19 108.99 2ia9 n GLY 42 Ca 0.16 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 2ia9 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ia9 s LEU 43 N -1.52 4.45 0.17 0.99 1.43 -1.26 -1.99 118.68 120.95 2ia9 s LEU 43 Ca 0.00 2.15 -0.01 0.00 -1.03 0.00 0.00 54.13 55.24 2ia9 s LEU 43 Cb 0.00 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2ia9 s LEU 43 CO 0.00 -0.19 0.11 0.72 0.23 0.00 0.00 176.35 177.22 2ia9 s PHE 44 N -1.31 1.00 -0.18 0.29 -0.71 0.48 -4.90 117.98 112.65 2ia9 s PHE 44 Ca 0.48 -1.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.00 2ia9 s PHE 44 Cb -0.28 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 40.99 2ia9 s PHE 44 CO 0.36 -0.60 0.07 0.08 -1.34 0.00 0.00 175.22 173.78 2ia9 s VAL 45 N -4.11 4.84 0.00 -2.49 1.01 -1.26 -1.65 120.40 116.73 2ia9 s VAL 45 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2ia9 s VAL 45 Cb 0.07 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2ia9 s VAL 45 CO 0.08 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.64 2ia9 n ALA 46 N 3.48 0.00 -2.87 5.51 0.00 0.23 -4.93 120.51 121.93 2ia9 n ALA 46 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 2ia9 n ALA 46 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 2ia9 n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ia9 s PRO 48 N 1.61 3.27 0.16 0.00 0.04 -1.25 -0.74 135.00 138.10 2ia9 s PRO 48 Ca 0.00 -0.48 0.02 0.00 0.04 0.00 0.00 61.00 60.58 2ia9 s PRO 48 Cb 0.00 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 2ia9 s PRO 48 CO 0.00 0.62 -0.03 -1.54 0.04 0.00 0.00 177.00 176.08 2ia9 s SER 49 N -2.29 1.37 0.12 6.66 1.04 -1.26 -1.36 113.70 117.98 2ia9 s SER 49 Ca 0.31 -1.11 -0.05 0.00 0.48 0.00 0.00 55.95 55.58 2ia9 s SER 49 Cb -0.13 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 2ia9 s SER 49 CO 0.23 -0.49 0.15 -0.75 0.98 0.00 0.00 173.24 173.36 2ia9 s LYS 50 N -3.86 0.95 -0.19 4.02 2.20 -0.81 -4.85 119.74 117.21 2ia9 s LYS 50 Ca 0.20 -1.22 -0.22 0.00 -0.36 0.00 0.00 55.97 54.37 2ia9 s LYS 50 Cb 0.05 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 2ia9 s LYS 50 CO 0.02 -0.30 0.69 0.50 -0.36 0.00 0.00 175.35 175.89 2ia9 s ARG 51 N -3.97 4.24 0.32 4.03 3.52 -1.26 -2.48 118.95 123.36 2ia9 s ARG 51 Ca 0.16 0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 56.22 2ia9 s ARG 51 Cb 0.05 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 2ia9 s ARG 51 CO -0.03 -0.26 1.12 0.99 -0.81 0.00 0.00 175.30 176.32 2ia9 s THR 52 N 1.95 3.41 0.11 4.11 2.01 -0.72 -4.96 115.64 121.54 2ia9 s THR 52 Ca 0.32 1.32 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 2ia9 s THR 52 Cb -0.16 -3.80 0.18 0.00 0.01 0.00 0.00 72.50 68.73 2ia9 s THR 52 CO 0.11 0.24 0.62 -2.65 -0.69 0.00 0.00 174.62 172.26 2ia9 n PRO 53 N 0.77 -0.04 0.07 4.92 -0.02 -1.26 -0.46 135.00 138.98 2ia9 n PRO 53 Ca 0.01 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 2ia9 n PRO 53 Cb 0.46 -0.93 0.24 0.00 -0.02 0.00 0.00 33.50 33.25 2ia9 n PRO 53 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2ia9 h ASP 54 N 0.00 0.33 0.00 2.55 2.03 -2.04 -3.47 116.42 115.82 2ia9 h ASP 54 Ca 0.20 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 2ia9 h ASP 54 Cb 0.31 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2ia9 h ASP 54 CO -0.41 0.63 0.00 0.61 -1.03 0.00 0.00 179.24 179.04 2ia9 n GLY 55 N -0.37 1.26 3.96 7.15 0.00 0.39 -5.15 105.19 112.43 2ia9 n GLY 55 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2ia9 n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ia9 s GLU 56 N 0.00 3.37 0.02 1.61 -1.05 -1.26 -4.76 118.70 116.63 2ia9 s GLU 56 Ca 0.00 -0.53 -0.05 0.00 -0.15 0.00 0.00 54.97 54.24 2ia9 s GLU 56 Cb 0.00 -2.72 -0.05 0.00 -0.44 0.00 0.00 34.13 30.93 2ia9 s GLU 56 CO 0.00 0.14 0.25 -0.06 0.95 0.00 0.00 175.26 176.54 2ia9 s PHE 57 N -2.26 3.55 0.02 4.83 0.40 -1.26 -1.76 117.98 121.50 2ia9 s PHE 57 Ca 0.40 0.48 0.01 0.00 -0.60 0.00 0.00 56.93 57.22 2ia9 s PHE 57 Cb -0.09 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 2ia9 s PHE 57 CO 0.34 0.60 -0.05 1.03 0.70 0.00 0.00 175.22 177.85 2ia9 s ARG 58 N -1.97 0.35 0.17 0.44 1.81 -1.03 -4.97 118.95 113.74 2ia9 s ARG 58 Ca 0.30 -0.42 -0.31 0.00 -1.72 0.00 0.00 55.73 53.57 2ia9 s ARG 58 Cb -0.13 -0.19 -0.09 0.00 -0.45 0.00 0.00 34.95 34.09 2ia9 s ARG 58 CO 0.19 0.04 1.48 -0.51 -0.68 0.00 0.00 175.30 175.81 2ia9 s ASP 59 N -0.84 6.69 0.37 0.23 1.01 -1.26 -1.92 116.67 120.95 2ia9 s ASP 59 Ca -0.06 2.53 0.18 0.00 0.71 0.00 0.00 52.55 55.91 2ia9 s ASP 59 Cb -0.06 -2.60 0.67 0.00 1.01 0.00 0.00 42.92 41.94 2ia9 s ASP 59 CO -0.00 -0.74 1.73 0.40 0.21 0.00 0.00 175.17 176.77 2ia9 h ILE 60 N 3.99 0.90 -3.34 0.77 2.04 -1.55 -3.45 117.51 116.87 2ia9 h ILE 60 Ca -0.43 -1.53 -0.21 0.00 1.00 0.00 0.00 64.86 63.68 2ia9 h ILE 60 Cb 1.21 1.93 -0.29 0.00 -0.74 0.00 0.00 36.82 38.93 2ia9 h ILE 60 CO 0.87 0.37 -0.57 0.28 0.00 0.00 0.00 178.15 179.10 2ia9 s THR 61 N -3.61 -0.02 -0.13 -0.27 -1.32 -1.26 -5.08 115.64 103.95 2ia9 s THR 61 Ca 0.00 0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.25 2ia9 s THR 61 Cb 0.11 -0.22 0.12 0.00 -1.51 0.00 0.00 72.50 71.01 2ia9 s THR 61 CO 0.69 0.03 0.98 -1.38 -2.21 0.00 0.00 174.62 172.73 2ia9 s HIS 62 N 0.53 -0.36 0.61 9.09 -3.43 -1.26 -4.65 115.29 115.83 2ia9 s HIS 62 Ca -0.04 0.53 -0.18 0.00 -0.80 0.00 0.00 55.06 54.57 2ia9 s HIS 62 Cb -0.05 0.47 -0.02 0.00 -1.43 0.00 0.00 32.58 31.54 2ia9 s HIS 62 CO -0.02 -0.38 1.18 -1.25 -2.00 0.00 0.00 174.74 172.27 2ia9 s PRO 63 N -1.57 2.89 0.38 -0.38 0.04 -1.26 -4.93 135.00 130.16 2ia9 s PRO 63 Ca 0.00 1.73 0.20 0.00 0.04 0.00 0.00 61.00 62.98 2ia9 s PRO 63 Cb -0.01 -1.93 0.45 0.00 0.04 0.00 0.00 34.50 33.05 2ia9 s PRO 63 CO -0.01 -1.25 1.62 0.97 0.04 0.00 0.00 177.00 178.38 2ia9 h ILE 64 N 0.66 0.54 -3.46 0.56 6.09 -2.01 -3.48 117.51 116.41 2ia9 h ILE 64 Ca -0.50 -1.54 -0.10 0.00 -1.37 0.00 0.00 64.86 61.36 2ia9 h ILE 64 Cb 1.29 2.09 -0.04 0.00 0.47 0.00 0.00 36.82 40.62 2ia9 h ILE 64 CO 0.54 0.28 0.06 0.54 -3.07 0.00 0.00 178.15 176.50 2ia9 s ASN 65 N -6.29 0.26 0.25 2.19 2.20 -1.26 -5.07 114.94 107.23 2ia9 s ASN 65 Ca 0.03 -1.17 0.01 0.00 -0.94 0.00 0.00 52.86 50.79 2ia9 s ASN 65 Cb 0.08 0.74 0.31 0.00 -2.00 0.00 0.00 41.25 40.38 2ia9 s ASN 65 CO 0.69 -1.45 1.65 0.77 -2.94 0.00 0.00 177.10 175.82 2ia9 h SER 66 N 2.07 0.52 -0.61 3.54 4.64 -1.99 -2.14 113.55 119.58 2ia9 h SER 66 Ca -0.29 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 2ia9 h SER 66 Cb 1.25 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 2ia9 h SER 66 CO 0.37 0.83 0.24 0.77 -0.87 0.00 0.00 176.83 178.17 2ia9 h SER 67 N 0.42 0.84 1.36 4.97 4.64 -2.00 -1.60 113.55 122.19 2ia9 h SER 67 Ca 0.05 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 2ia9 h SER 67 Cb 0.81 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2ia9 h SER 67 CO 0.07 0.79 -0.36 0.71 -0.87 0.00 0.00 176.83 177.17 2ia9 h THR 68 N 0.85 0.67 -0.84 2.95 1.35 -1.95 -2.21 112.91 113.73 2ia9 h THR 68 Ca 0.20 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.32 2ia9 h THR 68 Cb 0.21 2.16 -0.04 0.00 -1.73 0.00 0.00 68.15 68.76 2ia9 h THR 68 CO -0.02 0.35 0.48 -0.09 -0.25 0.00 0.00 175.52 175.99 2ia9 h ARG 69 N 0.00 1.16 -0.38 4.72 2.43 -1.01 -1.43 114.38 119.88 2ia9 h ARG 69 Ca -0.00 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.91 2ia9 h ARG 69 Cb 1.13 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2ia9 h ARG 69 CO 0.05 0.84 -0.31 0.78 -1.51 0.00 0.00 179.97 179.81 2ia9 h GLY 70 N 1.19 0.90 0.87 2.80 0.00 -0.78 0.54 103.07 108.60 2ia9 h GLY 70 Ca 0.30 -0.85 0.03 0.00 0.00 0.00 0.00 47.33 46.80 2ia9 h GLY 70 CO -0.05 0.77 0.32 0.50 0.00 0.00 0.00 176.54 178.08 2ia9 h LYS 71 N 0.70 0.62 -0.29 4.80 1.57 -1.08 0.17 116.57 123.06 2ia9 h LYS 71 Ca 0.08 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2ia9 h LYS 71 Cb 0.86 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2ia9 h LYS 71 CO 0.08 0.41 -0.20 0.82 -0.57 0.00 0.00 179.45 179.98 2ia9 h ILE 72 N 0.64 1.30 0.18 1.86 2.04 -0.95 -2.18 117.51 120.39 2ia9 h ILE 72 Ca 0.22 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2ia9 h ILE 72 Cb 0.02 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2ia9 h ILE 72 CO -0.10 0.43 -0.09 -0.61 0.00 0.00 0.00 178.15 177.78 2ia9 h GLN 73 N 0.39 -0.23 -0.13 2.37 4.15 -0.69 -2.43 115.11 118.53 2ia9 h GLN 73 Ca 0.06 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.53 2ia9 h GLN 73 Cb 0.74 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 2ia9 h GLN 73 CO 0.05 -0.06 -0.16 -0.44 -1.93 0.00 0.00 178.83 176.29 2ia9 h ASP 74 N -0.36 -0.48 -0.65 -0.69 5.19 -0.60 0.18 116.42 119.02 2ia9 h ASP 74 Ca -0.02 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.59 2ia9 h ASP 74 Cb 0.28 0.23 -0.12 0.00 0.18 0.00 0.00 39.33 39.90 2ia9 h ASP 74 CO 0.04 -0.20 -0.34 0.00 -3.12 0.00 0.00 179.24 175.62 2ia9 h ALA 75 N 0.86 -0.02 -0.04 3.45 0.00 -1.37 -1.53 119.26 120.62 2ia9 h ALA 75 Ca 0.10 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2ia9 h ALA 75 Cb 0.33 0.82 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ia9 h ALA 75 CO -0.25 -0.67 -0.58 0.28 0.00 0.00 0.00 179.25 178.04 2ia9 h VAL 76 N -0.14 1.40 -0.06 0.00 2.07 -0.75 -2.96 116.25 115.81 2ia9 h VAL 76 Ca 0.25 -1.98 -0.14 0.00 0.82 0.00 0.00 66.70 65.65 2ia9 h VAL 76 Cb 0.56 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2ia9 h VAL 76 CO -0.72 0.58 -0.57 -0.07 0.02 0.00 0.00 177.57 176.81 2ia9 h LEU 77 N -0.01 0.21 -0.51 2.57 4.07 -0.62 0.61 115.31 121.63 2ia9 h LEU 77 Ca -0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 2ia9 h LEU 77 Cb 1.26 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 2ia9 h LEU 77 CO 0.12 0.74 0.19 0.78 -1.08 0.00 0.00 178.44 179.19 2ia9 h ASN 78 N 0.14 0.71 -0.15 -0.43 -0.26 -1.32 0.29 115.58 114.57 2ia9 h ASN 78 Ca -0.00 -0.18 -0.10 0.00 -0.56 0.00 0.00 56.30 55.46 2ia9 h ASN 78 Cb 1.05 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.11 2ia9 h ASN 78 CO 0.09 0.70 -0.24 -0.08 -1.06 0.00 0.00 177.43 176.83 2ia9 h GLU 79 N 0.69 0.60 -0.32 0.81 4.57 -1.30 -1.65 114.58 117.97 2ia9 h GLU 79 Ca 0.17 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 2ia9 h GLU 79 Cb 0.21 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2ia9 h GLU 79 CO -0.01 0.79 -0.25 -0.92 -1.18 0.00 0.00 179.01 177.44 2ia9 h TYR 80 N 0.53 0.87 -0.44 0.92 5.03 -0.58 -0.30 116.97 123.00 2ia9 h TYR 80 Ca 0.08 -0.24 0.01 0.00 2.58 0.00 0.00 58.73 61.15 2ia9 h TYR 80 Cb 0.69 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 2ia9 h TYR 80 CO 0.03 0.99 0.28 0.45 -1.32 0.00 0.00 178.16 178.58 2ia9 h HIS 81 N 0.50 0.52 -0.06 -3.82 3.86 -0.27 0.44 115.15 116.31 2ia9 h HIS 81 Ca 0.06 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2ia9 h HIS 81 Cb 0.81 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 2ia9 h HIS 81 CO 0.07 0.32 -0.04 -0.09 0.86 0.00 0.00 177.93 179.05 2ia9 h ARG 82 N 0.56 -0.04 0.22 2.45 2.43 -1.16 -1.90 114.38 116.94 2ia9 h ARG 82 Ca 0.17 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.01 2ia9 h ARG 82 Cb -0.03 0.01 0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2ia9 h ARG 82 CO -0.05 -0.02 -1.42 -0.07 -1.51 0.00 0.00 179.97 176.89 2ia9 h LEU 83 N -0.04 0.84 0.48 3.80 3.38 -0.86 -2.71 115.31 120.20 2ia9 h LEU 83 Ca 0.04 -0.87 -0.02 0.00 0.09 0.00 0.00 57.88 57.12 2ia9 h LEU 83 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ia9 h LEU 83 CO -0.09 1.67 -0.23 1.23 0.09 0.00 0.00 178.44 181.11 2ia9 h GLY 84 N 0.28 -0.68 1.45 0.83 0.00 -1.02 0.13 103.07 104.07 2ia9 h GLY 84 Ca -0.24 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.42 2ia9 h GLY 84 CO 0.27 -0.25 0.20 -0.55 0.00 0.00 0.00 176.54 176.21 2ia9 h ASP 85 N -0.75 0.00 0.02 0.19 3.45 -1.44 0.32 116.42 118.20 2ia9 h ASP 85 Ca -0.07 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 2ia9 h ASP 85 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 2ia9 h ASP 85 CO 0.11 0.00 -0.01 0.74 -1.57 0.00 0.00 179.24 178.51 2ia9 h THR 86 N 0.00 1.50 -0.29 0.35 2.02 -1.26 -2.65 112.91 112.58 2ia9 h THR 86 Ca 0.12 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 2ia9 h THR 86 Cb 0.52 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 2ia9 h THR 86 CO -0.00 0.43 0.17 1.05 0.37 0.00 0.00 175.52 177.53 2ia9 h GLU 87 N -0.76 0.39 -0.23 6.66 -0.00 0.09 -1.50 114.58 119.22 2ia9 h GLU 87 Ca -0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.36 59.24 2ia9 h GLU 87 Cb 0.71 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.37 2ia9 h GLU 87 CO 0.00 0.28 -0.26 0.00 -0.00 0.00 0.00 179.01 179.03 2ia9 h ALA 88 N 1.79 1.13 -0.02 1.06 0.00 -0.43 -0.26 119.26 122.52 2ia9 h ALA 88 Ca 0.10 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2ia9 h ALA 88 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ia9 h ALA 88 CO -0.02 0.55 -0.89 -0.07 0.00 0.00 0.00 179.25 178.82 2ia9 h LEU 89 N 0.39 0.55 -0.87 0.00 4.07 -1.00 0.33 115.31 118.78 2ia9 h LEU 89 Ca 0.06 -0.42 0.05 0.00 0.08 0.00 0.00 57.88 57.65 2ia9 h LEU 89 Cb 0.66 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.18 2ia9 h LEU 89 CO 0.05 1.20 0.55 -0.33 -1.08 0.00 0.00 178.44 178.83 2ia9 h GLU 90 N 0.26 1.00 0.22 1.13 5.08 -1.11 -0.75 114.58 120.42 2ia9 h GLU 90 Ca -0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2ia9 h GLU 90 Cb 1.51 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2ia9 h GLU 90 CO 0.16 0.66 -0.11 0.35 -1.00 0.00 0.00 179.01 179.07 2ia9 h PHE 91 N 1.03 -0.28 -0.99 4.33 3.04 -0.74 0.92 116.94 124.25 2ia9 h PHE 91 Ca 0.37 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.60 2ia9 h PHE 91 Cb 0.11 0.09 -0.18 0.00 2.56 0.00 0.00 35.95 38.53 2ia9 h PHE 91 CO -0.03 0.01 0.08 0.93 -2.02 0.00 0.00 178.31 177.29 2ia9 h GLU 92 N -0.55 0.01 0.01 1.11 4.39 -0.11 -2.88 114.58 116.56 2ia9 h GLU 92 Ca -0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2ia9 h GLU 92 Cb 0.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2ia9 h GLU 92 CO 0.05 0.01 -0.01 0.93 -1.16 0.00 0.00 179.01 178.83 2ia9 h GLU 93 N 0.01 -0.02 -0.50 2.33 5.08 -0.85 -2.98 114.58 117.65 2ia9 h GLU 93 Ca 0.63 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 59.13 2ia9 h GLU 93 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2ia9 h GLU 93 CO -0.91 0.76 0.56 0.00 -1.00 0.00 0.00 179.01 178.42 2ia9 h ALA 94 N -0.11 2.23 0.00 3.43 0.00 -0.61 -3.25 119.26 120.95 2ia9 h ALA 94 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ia9 h ALA 94 Cb 0.78 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ia9 h ALA 94 CO 0.00 -0.82 -0.20 0.41 0.00 0.00 0.00 179.25 178.65 2ia9 n GLY 95 N -1.52 -0.43 0.63 0.00 0.00 -1.14 -4.71 105.19 98.01 2ia9 n GLY 95 Ca 0.10 -0.06 0.48 0.00 0.00 0.00 0.00 46.02 46.53 2ia9 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ia9 n ALA 96 N -2.91 1.69 0.00 4.61 0.00 -1.12 -5.14 120.51 117.64 2ia9 n ALA 96 Ca -0.03 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2ia9 n ALA 96 Cb 0.10 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2ia9 n ALA 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37