#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ia9 h ASN -1 N 0.00 0.69 0.00 4.04 4.21 -2.10 -3.52 115.58 118.90 2ia9 h ASN -1 Ca 0.00 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.01 2ia9 h ASN -1 Cb 0.00 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.01 2ia9 h ASN -1 CO 0.00 1.05 0.00 0.00 -1.29 0.00 0.00 177.43 177.19 2ia9 n ALA 0 N -2.50 0.00 -3.66 -0.83 0.00 -1.26 -5.30 120.51 106.97 2ia9 n ALA 0 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2ia9 n ALA 0 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2ia9 n ALA 0 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ia9 s GLU 2 N 4.95 0.50 -0.27 0.00 2.12 -1.26 -5.09 118.70 119.65 2ia9 s GLU 2 Ca 0.00 1.18 -0.28 0.00 0.36 0.00 0.00 54.97 56.22 2ia9 s GLU 2 Cb 0.00 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 2ia9 s GLU 2 CO 0.00 -0.20 2.03 0.08 -0.54 0.00 0.00 175.26 176.63 2ia9 s VAL 3 N 2.30 3.22 -0.01 3.70 1.01 -1.26 -1.16 120.40 128.20 2ia9 s VAL 3 Ca -0.06 0.22 0.11 0.00 0.00 0.00 0.00 61.98 62.26 2ia9 s VAL 3 Cb -0.10 -3.29 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 2ia9 s VAL 3 CO -0.16 -0.19 1.04 0.74 0.00 0.00 0.00 175.10 176.53 2ia9 h THR 4 N 6.99 1.14 -2.10 3.92 2.02 -0.18 -3.48 112.91 121.22 2ia9 h THR 4 Ca -0.38 -2.82 -0.06 0.00 0.77 0.00 0.00 66.41 63.93 2ia9 h THR 4 Cb 1.21 2.53 -0.20 0.00 -1.74 0.00 0.00 68.15 69.95 2ia9 h THR 4 CO 0.99 0.65 0.12 -0.62 0.37 0.00 0.00 175.52 177.03 2ia9 s ASP 5 N -6.34 -0.65 -0.22 4.18 2.15 -1.16 -4.95 116.67 109.68 2ia9 s ASP 5 Ca -0.01 0.96 0.00 0.00 0.43 0.00 0.00 52.55 53.94 2ia9 s ASP 5 Cb 0.09 0.89 0.05 0.00 -0.30 0.00 0.00 42.92 43.66 2ia9 s ASP 5 CO 0.81 -0.44 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.63 2ia9 s VAL 6 N -0.53 1.42 -0.25 1.11 1.01 -1.26 -1.16 120.40 120.74 2ia9 s VAL 6 Ca -0.06 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 2ia9 s VAL 6 Cb -0.02 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2ia9 s VAL 6 CO 0.06 -0.03 0.06 -0.13 0.00 0.00 0.00 175.10 175.06 2ia9 s ARG 7 N 1.46 3.65 0.00 2.72 0.52 0.04 -4.99 118.95 122.36 2ia9 s ARG 7 Ca -0.04 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2ia9 s ARG 7 Cb -0.18 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2ia9 s ARG 7 CO -0.07 -0.17 -0.08 -1.17 0.02 0.00 0.00 175.30 173.83 2ia9 s LEU 8 N 1.57 2.05 -0.16 2.53 0.20 -1.26 -0.03 118.68 123.57 2ia9 s LEU 8 Ca 0.06 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.69 2ia9 s LEU 8 Cb -0.15 -0.38 0.02 0.00 -0.43 0.00 0.00 46.19 45.25 2ia9 s LEU 8 CO 0.03 0.06 -0.16 -0.60 -0.29 0.00 0.00 176.35 175.39 2ia9 s ARG 9 N -0.39 2.56 0.47 1.98 3.52 -0.16 -5.01 118.95 121.92 2ia9 s ARG 9 Ca 0.02 -0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 54.74 2ia9 s ARG 9 Cb -0.04 -2.28 -0.08 0.00 -1.56 0.00 0.00 34.95 30.99 2ia9 s ARG 9 CO -0.00 -0.22 1.08 1.03 -0.81 0.00 0.00 175.30 176.38 2ia9 s ARG 10 N 1.40 3.81 -0.16 5.12 0.52 -1.26 -2.01 118.95 126.37 2ia9 s ARG 10 Ca 0.05 1.52 -0.05 0.00 -0.52 0.00 0.00 55.73 56.73 2ia9 s ARG 10 Cb -0.13 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 33.15 2ia9 s ARG 10 CO -0.11 -0.45 0.09 0.08 0.02 0.00 0.00 175.30 174.93 2ia9 s VAL 11 N -1.78 -0.10 -0.06 3.52 1.01 0.35 -4.91 120.40 118.42 2ia9 s VAL 11 Ca 0.65 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2ia9 s VAL 11 Cb -0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2ia9 s VAL 11 CO 0.26 -0.25 1.04 0.20 0.00 0.00 0.00 175.10 176.35 2ia9 s ASN 12 N 2.15 7.23 0.31 3.32 0.02 -1.26 -4.39 114.94 122.32 2ia9 s ASN 12 Ca 0.02 1.63 -0.19 0.00 -1.02 0.00 0.00 52.86 53.31 2ia9 s ASN 12 Cb -0.16 -2.56 0.03 0.00 0.02 0.00 0.00 41.25 38.58 2ia9 s ASN 12 CO -0.09 -0.43 0.73 0.28 0.02 0.00 0.00 177.10 177.62 2ia9 s THR 13 N 1.76 0.00 -0.80 1.60 -1.32 -1.26 -5.07 115.64 110.55 2ia9 s THR 13 Ca 0.51 -1.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.00 2ia9 s THR 13 Cb -0.21 -2.26 0.31 0.00 -1.51 0.00 0.00 72.50 68.84 2ia9 s THR 13 CO 0.22 0.00 1.25 0.47 -2.21 0.00 0.00 174.62 174.34 2ia9 n ASP 14 N -0.73 5.49 -2.55 8.08 10.43 -1.26 -4.95 116.55 131.06 2ia9 n ASP 14 Ca -0.05 -3.60 -0.05 0.00 2.57 0.00 0.00 54.79 53.66 2ia9 n ASP 14 Cb 0.59 -0.86 0.02 0.00 1.84 0.00 0.00 41.12 42.71 2ia9 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ia9 n GLY 15 N 0.24 1.00 2.48 0.44 0.00 -1.26 -5.24 105.19 102.86 2ia9 n GLY 15 Ca 0.35 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 2ia9 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ia9 n ARG 16 N -0.48 1.68 0.00 1.61 3.00 -1.26 -4.98 116.66 116.23 2ia9 n ARG 16 Ca -0.04 -1.10 0.00 0.00 -0.01 0.00 0.00 57.85 56.69 2ia9 n ARG 16 Cb 0.45 -2.19 0.00 0.00 0.00 0.00 0.00 32.46 30.72 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 3.69 0.00 -3.77 5.56 5.12 0.53 -0.77 116.66 127.02 2ia9 n ARG 18 Ca 0.36 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.15 2ia9 n ARG 18 Cb 0.26 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.45 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 -0.80 -0.76 -0.11 7.54 0.00 -1.03 0.13 121.76 126.73 2ia9 s ALA 19 Ca 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 2ia9 s ALA 19 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2ia9 s ALA 19 CO 0.00 -0.16 0.06 0.96 0.00 0.00 0.00 175.76 176.62 2ia9 s ILE 20 N -0.08 4.81 0.15 0.00 -4.36 -0.85 0.48 121.20 121.35 2ia9 s ILE 20 Ca -0.02 -0.05 -0.05 0.00 -0.26 0.00 0.00 60.65 60.27 2ia9 s ILE 20 Cb -0.03 -3.07 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 2ia9 s ILE 20 CO 0.01 0.60 0.17 0.00 0.24 0.00 0.00 174.94 175.96 2ia9 s ALA 21 N -0.86 0.46 -0.05 2.27 0.00 0.60 -0.99 121.76 123.19 2ia9 s ALA 21 Ca 0.13 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2ia9 s ALA 21 Cb -0.12 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2ia9 s ALA 21 CO 0.03 -0.57 -0.15 -1.12 0.00 0.00 0.00 175.76 173.95 2ia9 s SER 22 N -3.01 2.00 0.25 0.00 0.01 0.95 -1.19 113.70 112.70 2ia9 s SER 22 Ca 0.21 -0.33 0.06 0.00 1.31 0.00 0.00 55.95 57.20 2ia9 s SER 22 Cb 0.05 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2ia9 s SER 22 CO 0.01 0.10 0.30 0.27 0.41 0.00 0.00 173.24 174.33 2ia9 s ILE 23 N 0.30 4.90 -0.15 1.44 -4.36 -0.53 -0.78 121.20 122.03 2ia9 s ILE 23 Ca -0.09 -1.15 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2ia9 s ILE 23 Cb -0.13 -3.67 0.00 0.00 1.25 0.00 0.00 42.46 39.91 2ia9 s ILE 23 CO 0.03 -0.33 -0.18 -0.89 0.24 0.00 0.00 174.94 173.81 2ia9 s THR 24 N -2.05 2.43 -0.15 8.37 2.01 -0.31 -0.93 115.64 125.02 2ia9 s THR 24 Ca 0.34 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 61.36 2ia9 s THR 24 Cb -0.09 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2ia9 s THR 24 CO 0.27 0.53 0.27 -0.76 -0.69 0.00 0.00 174.62 174.24 2ia9 s LEU 25 N 0.83 4.28 -1.60 4.42 1.43 0.18 0.59 118.68 128.81 2ia9 s LEU 25 Ca -0.06 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2ia9 s LEU 25 Cb -0.15 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2ia9 s LEU 25 CO -0.01 0.16 0.33 0.47 0.23 0.00 0.00 176.35 177.53 2ia9 n ASP 26 N 3.24 -5.79 0.00 2.29 8.00 -0.31 -1.12 116.55 122.86 2ia9 n ASP 26 Ca -0.13 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.21 2ia9 n ASP 26 Cb 0.52 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 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 -4.22 0.00 0.00 1.24 8.25 -1.26 -4.67 115.22 114.56 2ia9 n HIS 27 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2ia9 n HIS 27 Cb 0.64 -1.49 0.00 0.00 1.12 0.00 0.00 29.99 30.26 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 -0.71 0.08 -4.73 -0.41 1.02 -0.70 -5.07 120.64 110.11 2ia9 n GLU 28 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2ia9 n GLU 28 Cb 0.23 -0.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.34 2.84 -0.11 -0.32 2.19 -0.28 -4.96 117.98 116.01 2ia9 s PHE 29 Ca 0.00 -0.58 -0.03 0.00 0.33 0.00 0.00 56.93 56.65 2ia9 s PHE 29 Cb 0.00 -1.85 -0.03 0.00 -1.31 0.00 0.00 43.02 39.82 2ia9 s PHE 29 CO 0.00 -0.18 0.01 0.08 1.83 0.00 0.00 175.22 176.96 2ia9 s VAL 30 N 0.32 4.37 -0.23 3.12 1.01 -1.26 0.51 120.40 128.24 2ia9 s VAL 30 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2ia9 s VAL 30 Cb -0.16 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.39 2ia9 s VAL 30 CO 0.05 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.92 2ia9 s VAL 31 N -0.57 2.48 0.65 2.92 1.01 -0.10 -4.99 120.40 121.79 2ia9 s VAL 31 Ca 0.10 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2ia9 s VAL 31 Cb -0.12 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.07 2ia9 s VAL 31 CO 0.02 0.27 0.95 -1.00 0.00 0.00 0.00 175.10 175.34 2ia9 s HIS 32 N 1.27 3.05 -1.20 5.22 3.76 -1.26 -1.45 115.29 124.68 2ia9 s HIS 32 Ca -0.00 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 2ia9 s HIS 32 Cb -0.16 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2ia9 s HIS 32 CO -0.07 -1.13 0.00 -0.25 -0.85 0.00 0.00 174.74 172.44 2ia9 n ASP 33 N -2.74 -4.25 -4.77 1.40 10.43 -1.12 -4.69 116.55 110.81 2ia9 n ASP 33 Ca 0.07 0.18 -0.38 0.00 2.57 0.00 0.00 54.79 57.23 2ia9 n ASP 33 Cb 0.59 -3.06 -0.02 0.00 1.84 0.00 0.00 41.12 40.47 2ia9 n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2ia9 s ILE 34 N -2.51 3.20 -0.09 0.53 -1.09 -0.34 -3.99 121.20 116.91 2ia9 s ILE 34 Ca 0.00 0.98 0.04 0.00 -2.23 0.00 0.00 60.65 59.44 2ia9 s ILE 34 Cb 0.00 -3.54 -0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2ia9 s ILE 34 CO 0.00 0.07 -0.24 -0.13 -1.23 0.00 0.00 174.94 173.41 2ia9 s ARG 35 N -2.37 2.94 -0.32 2.79 3.00 -0.39 -0.29 118.95 124.31 2ia9 s ARG 35 Ca 0.58 -0.88 -0.19 0.00 0.00 0.00 0.00 55.73 55.24 2ia9 s ARG 35 Cb -0.30 -2.28 -0.01 0.00 0.00 0.00 0.00 34.95 32.37 2ia9 s ARG 35 CO 0.37 0.23 0.56 0.08 0.00 0.00 0.00 175.30 176.54 2ia9 s VAL 36 N 0.22 4.99 -0.09 3.52 1.01 0.18 0.21 120.40 130.44 2ia9 s VAL 36 Ca -0.15 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2ia9 s VAL 36 Cb -0.17 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2ia9 s VAL 36 CO 0.08 -0.15 -0.17 -0.63 0.00 0.00 0.00 175.10 174.23 2ia9 s ILE 37 N 2.48 1.53 -0.26 2.22 1.01 0.37 -0.34 121.20 128.22 2ia9 s ILE 37 Ca 0.22 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 2ia9 s ILE 37 Cb -0.15 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2ia9 s ILE 37 CO 0.12 0.44 0.74 -0.62 0.00 0.00 0.00 174.94 175.63 2ia9 s ASP 38 N 0.68 6.71 -0.30 3.58 3.68 0.05 0.70 116.67 131.76 2ia9 s ASP 38 Ca -0.13 0.85 -0.12 0.00 2.13 0.00 0.00 52.55 55.28 2ia9 s ASP 38 Cb -0.16 -2.39 0.12 0.00 -1.45 0.00 0.00 42.92 39.04 2ia9 s ASP 38 CO 0.03 -0.47 0.69 -0.83 0.13 0.00 0.00 175.17 174.72 2ia9 s GLY 39 N 1.43 -0.66 -1.20 2.66 0.00 -1.20 -4.65 107.32 103.71 2ia9 s GLY 39 Ca 0.31 2.43 -0.07 0.00 0.00 0.00 0.00 44.72 47.40 2ia9 s GLY 39 CO 0.08 2.94 0.36 0.70 0.00 0.00 0.00 173.10 177.19 2ia9 n ASN 40 N 5.15 -3.76 0.00 1.64 3.02 -1.26 -3.68 115.26 116.37 2ia9 n ASN 40 Ca -0.14 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2ia9 n ASN 40 Cb 0.51 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 2ia9 n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ia9 n ASN 41 N -2.16 0.00 0.00 6.41 5.03 -1.26 -5.12 115.26 118.16 2ia9 n ASN 41 Ca -0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.40 2ia9 n ASN 41 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 2ia9 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ia9 n GLY 42 N 0.00 -0.74 3.77 7.41 0.00 -1.24 -4.97 105.19 109.41 2ia9 n GLY 42 Ca 0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.46 4.19 0.08 0.99 1.43 -1.26 -3.23 118.68 119.42 2ia9 s LEU 43 Ca 0.00 2.43 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 2ia9 s LEU 43 Cb 0.00 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 2ia9 s LEU 43 CO 0.00 -0.75 -0.08 0.72 0.23 0.00 0.00 176.35 176.47 2ia9 s PHE 44 N -1.38 0.89 -0.10 0.29 -0.71 0.22 -4.96 117.98 112.23 2ia9 s PHE 44 Ca 0.57 -0.67 -0.20 0.00 -1.04 0.00 0.00 56.93 55.60 2ia9 s PHE 44 Cb -0.33 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 40.94 2ia9 s PHE 44 CO 0.41 -0.07 0.54 0.08 -1.34 0.00 0.00 175.22 174.84 2ia9 s VAL 45 N -2.37 5.13 0.00 -2.49 1.01 -1.26 -0.47 120.40 119.95 2ia9 s VAL 45 Ca 0.02 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2ia9 s VAL 45 Cb -0.03 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2ia9 s VAL 45 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.41 2ia9 n ALA 46 N 3.60 0.00 -2.88 5.51 0.00 0.13 -4.97 120.51 121.90 2ia9 n ALA 46 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 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 -2.14 0.00 0.00 0.00 177.50 175.36 2ia9 s PRO 48 N -0.59 3.31 0.10 0.00 0.02 -1.26 -1.26 135.00 135.32 2ia9 s PRO 48 Ca 0.00 -0.49 -0.05 0.00 0.02 0.00 0.00 61.00 60.48 2ia9 s PRO 48 Cb 0.00 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 2ia9 s PRO 48 CO 0.00 0.61 0.12 -1.54 -0.33 0.00 0.00 177.00 175.86 2ia9 s SER 49 N -2.43 0.24 0.08 2.53 1.04 -1.26 -0.49 113.70 113.41 2ia9 s SER 49 Ca 0.33 -0.89 0.10 0.00 0.48 0.00 0.00 55.95 55.97 2ia9 s SER 49 Cb -0.13 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2ia9 s SER 49 CO 0.26 -0.73 -0.25 -0.75 0.98 0.00 0.00 173.24 172.75 2ia9 s LYS 50 N -3.93 1.52 0.00 4.02 2.47 -1.26 -4.85 119.74 117.70 2ia9 s LYS 50 Ca 0.11 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 2ia9 s LYS 50 Cb 0.06 -1.82 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 2ia9 s LYS 50 CO -0.06 0.45 0.00 2.89 0.16 0.00 0.00 175.35 178.79 2ia9 n ARG 51 N 1.38 0.00 -0.98 4.03 1.85 -1.26 -4.87 116.66 116.80 2ia9 n ARG 51 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2ia9 n ARG 51 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2ia9 n ARG 51 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2ia9 n ARG 58 N 0.00 -2.72 -1.71 2.89 -4.01 -1.26 -5.27 116.66 104.58 2ia9 n ARG 58 Ca 0.00 2.06 -0.43 0.00 -1.04 0.00 0.00 57.85 58.45 2ia9 n ARG 58 Cb 0.00 -2.43 -0.03 0.00 -3.04 0.00 0.00 32.46 26.96 2ia9 n ARG 58 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2ia9 n ASP 59 N -1.49 3.67 0.13 2.89 9.92 -1.26 -4.38 116.55 126.03 2ia9 n ASP 59 Ca 0.00 1.10 -0.01 0.00 -0.53 0.00 0.00 54.79 55.35 2ia9 n ASP 59 Cb 0.13 -1.54 0.11 0.00 -0.64 0.00 0.00 41.12 39.18 2ia9 n ASP 59 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2ia9 h ILE 60 N 3.57 1.30 -3.23 0.53 2.04 -1.11 -3.45 117.51 117.16 2ia9 h ILE 60 Ca -0.45 -2.36 -0.23 0.00 1.00 0.00 0.00 64.86 62.82 2ia9 h ILE 60 Cb 1.22 2.33 -0.31 0.00 -0.74 0.00 0.00 36.82 39.33 2ia9 h ILE 60 CO 0.88 0.64 -0.58 0.28 0.00 0.00 0.00 178.15 179.37 2ia9 s THR 61 N -3.26 -0.04 -0.19 -0.27 -1.32 -1.25 -5.07 115.64 104.23 2ia9 s THR 61 Ca 0.00 0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.52 2ia9 s THR 61 Cb 0.11 -0.26 0.06 0.00 -1.51 0.00 0.00 72.50 70.89 2ia9 s THR 61 CO 0.76 0.07 0.48 -1.38 -2.21 0.00 0.00 174.62 172.33 2ia9 s HIS 62 N 1.10 -0.66 0.34 9.09 -3.43 -1.26 -4.70 115.29 115.77 2ia9 s HIS 62 Ca -0.08 1.43 -0.29 0.00 -0.80 0.00 0.00 55.06 55.32 2ia9 s HIS 62 Cb -0.10 0.30 -0.11 0.00 -1.43 0.00 0.00 32.58 31.24 2ia9 s HIS 62 CO -0.06 -0.35 1.38 -2.14 -2.00 0.00 0.00 174.74 171.57 2ia9 s PRO 63 N 1.12 4.26 0.01 -0.38 0.02 -1.26 -4.97 135.00 133.80 2ia9 s PRO 63 Ca -0.07 2.35 -0.19 0.00 0.02 0.00 0.00 61.00 63.10 2ia9 s PRO 63 Cb -0.06 -3.04 -0.11 0.00 0.02 0.00 0.00 34.50 31.31 2ia9 s PRO 63 CO -0.10 -0.32 0.98 0.82 -0.33 0.00 0.00 177.00 178.05 2ia9 h ILE 64 N 3.03 0.00 -2.21 2.83 2.04 -2.00 -3.46 117.51 117.73 2ia9 h ILE 64 Ca -0.49 -0.23 -0.45 0.00 1.00 0.00 0.00 64.86 64.68 2ia9 h ILE 64 Cb 1.23 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2ia9 h ILE 64 CO 0.65 0.00 -0.30 0.54 0.00 0.00 0.00 178.15 179.05 2ia9 s ASN 65 N -3.92 6.08 0.00 1.72 6.03 -1.26 -4.99 114.94 118.60 2ia9 s ASN 65 Ca -0.10 0.05 0.25 0.00 -1.03 0.00 0.00 52.86 52.03 2ia9 s ASN 65 Cb 0.01 -1.56 1.25 0.00 -3.03 0.00 0.00 41.25 37.93 2ia9 s ASN 65 CO 0.31 -0.37 1.84 -1.54 -2.03 0.00 0.00 177.10 175.30 2ia9 n SER 66 N -1.68 0.00 0.37 3.54 3.41 -1.26 -1.87 113.62 116.13 2ia9 n SER 66 Ca -0.03 -0.04 -0.16 0.00 -0.26 0.00 0.00 58.87 58.39 2ia9 n SER 66 Cb 0.57 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 2ia9 n SER 66 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ia9 h SER 67 N 0.00 -0.82 0.38 4.04 0.87 -1.98 0.12 113.55 116.17 2ia9 h SER 67 Ca 0.00 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2ia9 h SER 67 Cb 0.25 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2ia9 h SER 67 CO 0.00 -0.46 -0.73 0.71 -0.53 0.00 0.00 176.83 175.82 2ia9 h THR 68 N -1.20 1.41 -0.98 2.23 1.35 -1.97 -2.44 112.91 111.32 2ia9 h THR 68 Ca -0.10 -2.22 0.11 0.00 -0.55 0.00 0.00 66.41 63.65 2ia9 h THR 68 Cb 0.76 2.18 -0.08 0.00 -1.73 0.00 0.00 68.15 69.28 2ia9 h THR 68 CO 0.16 0.66 0.63 -0.09 -0.25 0.00 0.00 175.52 176.62 2ia9 h ARG 69 N 0.19 0.98 0.00 4.72 2.43 -1.44 0.25 114.38 121.51 2ia9 h ARG 69 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2ia9 h ARG 69 Cb 1.30 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2ia9 h ARG 69 CO 0.12 0.65 0.00 0.41 -1.51 0.00 0.00 179.97 179.63 2ia9 n GLY 70 N -1.37 -2.87 0.34 2.80 0.00 0.43 -1.25 105.19 103.27 2ia9 n GLY 70 Ca 0.17 0.36 0.01 0.00 0.00 0.00 0.00 46.02 46.56 2ia9 n GLY 70 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ia9 h LYS 71 N 0.00 1.04 0.22 1.61 2.10 -0.86 0.11 116.57 120.79 2ia9 h LYS 71 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2ia9 h LYS 71 Cb 0.00 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.08 2ia9 h LYS 71 CO 0.00 0.69 -0.19 0.82 -2.00 0.00 0.00 179.45 178.77 2ia9 h ILE 72 N 1.07 0.59 -0.43 0.07 2.04 -1.03 -0.65 117.51 119.18 2ia9 h ILE 72 Ca 0.38 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.27 2ia9 h ILE 72 Cb 0.12 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2ia9 h ILE 72 CO -0.16 0.00 0.25 -0.61 0.00 0.00 0.00 178.15 177.63 2ia9 h GLN 73 N -0.42 0.48 0.25 2.37 4.15 -0.10 -2.03 115.11 119.81 2ia9 h GLN 73 Ca -0.01 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2ia9 h GLN 73 Cb 0.38 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 2ia9 h GLN 73 CO -0.03 0.32 -0.33 -0.44 -1.93 0.00 0.00 178.83 176.42 2ia9 h ASP 74 N 0.50 -0.92 -0.84 -0.69 3.32 -0.76 -0.85 116.42 116.16 2ia9 h ASP 74 Ca 0.17 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.43 2ia9 h ASP 74 Cb 0.03 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 2ia9 h ASP 74 CO -0.09 -0.45 0.55 0.00 -1.72 0.00 0.00 179.24 177.53 2ia9 h ALA 75 N -0.09 1.78 0.01 3.45 0.00 -0.80 0.50 119.26 124.11 2ia9 h ALA 75 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2ia9 h ALA 75 Cb 0.61 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ia9 h ALA 75 CO -0.11 0.03 -0.41 0.28 0.00 0.00 0.00 179.25 179.04 2ia9 h VAL 76 N 0.73 1.51 0.16 0.00 2.07 -1.23 -2.66 116.25 116.84 2ia9 h VAL 76 Ca 0.40 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.88 2ia9 h VAL 76 Cb 0.55 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 2ia9 h VAL 76 CO -0.17 0.58 -0.24 -0.07 0.02 0.00 0.00 177.57 177.69 2ia9 h LEU 77 N -0.38 -0.65 -0.72 2.57 4.07 -0.79 0.93 115.31 120.34 2ia9 h LEU 77 Ca -0.05 0.07 0.14 0.00 0.08 0.00 0.00 57.88 58.12 2ia9 h LEU 77 Cb 1.16 0.24 -0.10 0.00 1.08 0.00 0.00 40.66 43.05 2ia9 h LEU 77 CO 0.08 -0.33 0.24 0.78 -1.08 0.00 0.00 178.44 178.12 2ia9 h ASN 78 N -0.46 0.16 -0.01 -0.43 4.21 -0.09 0.15 115.58 119.10 2ia9 h ASN 78 Ca 0.02 0.12 -0.08 0.00 1.21 0.00 0.00 56.30 57.57 2ia9 h ASN 78 Cb 0.46 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 2ia9 h ASN 78 CO -0.10 0.05 -0.20 -0.08 -1.29 0.00 0.00 177.43 175.81 2ia9 h GLU 79 N 0.36 0.38 0.30 0.81 4.57 -1.09 0.40 114.58 120.32 2ia9 h GLU 79 Ca 0.39 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 2ia9 h GLU 79 Cb 0.62 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2ia9 h GLU 79 CO -0.43 0.57 -0.15 -0.92 -1.18 0.00 0.00 179.01 176.91 2ia9 h TYR 80 N 0.35 -0.38 -0.54 0.92 -0.00 0.14 -2.26 116.97 115.20 2ia9 h TYR 80 Ca 0.06 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.70 2ia9 h TYR 80 Cb 0.55 0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 37.39 2ia9 h TYR 80 CO 0.01 -0.20 0.02 0.45 -0.00 0.00 0.00 178.16 178.45 2ia9 h HIS 81 N -0.47 1.02 -0.64 -3.82 3.86 -0.60 -1.40 115.15 113.11 2ia9 h HIS 81 Ca -0.04 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 2ia9 h HIS 81 Cb 0.35 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2ia9 h HIS 81 CO -0.04 0.93 0.37 -0.09 0.86 0.00 0.00 177.93 179.95 2ia9 h ARG 82 N 0.82 0.87 -0.26 2.45 1.12 -0.22 -0.84 114.38 118.32 2ia9 h ARG 82 Ca 0.16 -0.08 -0.17 0.00 -1.11 0.00 0.00 59.98 58.78 2ia9 h ARG 82 Cb 0.50 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2ia9 h ARG 82 CO 0.02 0.63 -0.48 1.25 -3.11 0.00 0.00 179.97 178.28 2ia9 h LEU 83 N 0.89 0.88 0.00 3.80 5.85 -1.14 -2.21 115.31 123.37 2ia9 h LEU 83 Ca 0.23 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2ia9 h LEU 83 Cb -0.01 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2ia9 h LEU 83 CO -0.04 1.25 0.00 0.61 -0.34 0.00 0.00 178.44 179.92 2ia9 n GLY 84 N 0.37 -2.46 0.33 3.75 0.00 -0.55 -1.26 105.19 105.36 2ia9 n GLY 84 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2ia9 n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ia9 n ASP 85 N -1.96 -0.68 -0.32 1.61 10.43 -0.38 -0.80 116.55 124.46 2ia9 n ASP 85 Ca 0.00 1.44 -0.00 0.00 2.57 0.00 0.00 54.79 58.79 2ia9 n ASP 85 Cb 0.00 -0.26 0.13 0.00 1.84 0.00 0.00 41.12 42.82 2ia9 n ASP 85 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 2ia9 h THR 86 N 0.00 1.10 -0.14 -3.53 2.02 -1.35 -0.48 112.91 110.53 2ia9 h THR 86 Ca 0.22 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 2ia9 h THR 86 Cb 0.42 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2ia9 h THR 86 CO -0.79 0.19 -0.13 -0.08 0.37 0.00 0.00 175.52 175.08 2ia9 h GLU 87 N 1.04 0.33 -0.50 6.66 4.81 0.28 -2.53 114.58 124.67 2ia9 h GLU 87 Ca 0.36 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2ia9 h GLU 87 Cb 0.08 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2ia9 h GLU 87 CO -0.14 0.71 0.18 0.00 -0.73 0.00 0.00 179.01 179.03 2ia9 h ALA 88 N 0.61 0.61 -0.01 2.92 0.00 -0.58 -2.64 119.26 120.17 2ia9 h ALA 88 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ia9 h ALA 88 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ia9 h ALA 88 CO 0.03 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.34 2ia9 n LEU 89 N -5.01 0.46 0.00 0.00 4.32 -0.22 -2.94 117.00 113.62 2ia9 n LEU 89 Ca 0.05 -0.16 -0.01 0.00 -0.02 0.00 0.00 56.01 55.88 2ia9 n LEU 89 Cb 0.20 -0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.89 2ia9 n LEU 89 CO 0.24 0.08 -0.49 -0.62 -1.22 0.00 0.00 177.39 175.38 2ia9 n GLU 90 N -0.62 0.64 0.05 3.23 1.02 -0.96 -4.10 120.64 119.91 2ia9 n GLU 90 Ca 0.21 0.14 0.13 0.00 -0.02 0.00 0.00 57.16 57.62 2ia9 n GLU 90 Cb 0.18 -1.73 0.50 0.00 -0.02 0.00 0.00 31.44 30.37 2ia9 n GLU 90 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ia9 n PHE 91 N -2.80 0.44 0.36 -0.32 3.01 -1.15 -3.05 117.46 113.95 2ia9 n PHE 91 Ca -0.13 0.14 -0.18 0.00 1.01 0.00 0.00 57.45 58.29 2ia9 n PHE 91 Cb 0.87 -0.72 -0.09 0.00 -0.01 0.00 0.00 39.48 39.52 2ia9 n PHE 91 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2ia9 h GLU 92 N 0.00 -1.02 -0.02 -1.08 3.07 -1.71 -3.53 114.58 110.29 2ia9 h GLU 92 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2ia9 h GLU 92 Cb 0.56 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2ia9 h GLU 92 CO 0.00 -0.68 0.00 0.39 -1.40 0.00 0.00 179.01 177.32