#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig9 n GLY 3 N 0.00 -1.44 3.27 -0.02 0.00 -1.26 -4.62 105.19 101.13 3ig9 n GLY 3 Ca 0.00 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 3ig9 n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ig9 s TYR 4 N 0.00 1.62 -0.33 1.61 1.51 0.15 -1.85 117.35 120.07 3ig9 s TYR 4 Ca 0.00 -0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 55.48 3ig9 s TYR 4 Cb 0.00 -0.85 -0.00 0.00 -0.11 0.00 0.00 41.96 40.99 3ig9 s TYR 4 CO 0.00 0.21 0.18 0.08 -1.11 0.00 0.00 175.55 174.91 3ig9 s VAL 5 N -1.72 4.70 -0.52 0.71 1.01 0.63 -1.62 120.40 123.58 3ig9 s VAL 5 Ca 0.09 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 3ig9 s VAL 5 Cb -0.07 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.92 3ig9 s VAL 5 CO 0.04 -0.01 0.66 0.20 0.00 0.00 0.00 175.10 176.00 3ig9 s ASN 6 N 1.62 6.23 -0.24 3.32 0.01 0.72 -1.40 114.94 125.19 3ig9 s ASN 6 Ca 0.04 -0.93 -0.10 0.00 -0.71 0.00 0.00 52.86 51.17 3ig9 s ASN 6 Cb -0.18 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3ig9 s ASN 6 CO 0.07 -0.95 0.14 -0.63 -1.51 0.00 0.00 177.10 174.22 3ig9 s ILE 7 N 2.75 5.08 -0.19 0.60 1.01 -0.18 -1.89 121.20 128.38 3ig9 s ILE 7 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.88 3ig9 s ILE 7 Cb -0.19 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.91 3ig9 s ILE 7 CO 0.12 0.34 -0.13 -0.75 0.00 0.00 0.00 174.94 174.52 3ig9 s LYS 8 N 1.19 3.20 0.16 2.79 2.20 -0.78 -1.25 119.74 127.25 3ig9 s LYS 8 Ca 0.06 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 3ig9 s LYS 8 Cb -0.14 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 3ig9 s LYS 8 CO 0.05 -0.14 0.15 0.95 -0.36 0.00 0.00 175.35 176.01 3ig9 s THR 9 N 1.22 4.60 -0.09 3.43 -4.23 -0.15 -0.92 115.64 119.49 3ig9 s THR 9 Ca 0.02 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3ig9 s THR 9 Cb -0.14 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 3ig9 s THR 9 CO -0.06 -0.09 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.53 3ig9 s PHE 10 N -1.73 3.02 0.29 3.99 0.08 -0.35 -2.76 117.98 120.52 3ig9 s PHE 10 Ca 0.31 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.10 3ig9 s PHE 10 Cb -0.10 -1.77 -0.11 0.00 -0.57 0.00 0.00 43.02 40.47 3ig9 s PHE 10 CO 0.24 0.33 1.50 0.99 -0.10 0.00 0.00 175.22 178.17 3ig9 s THR 11 N -0.68 2.33 -0.04 0.64 2.01 -1.26 -4.29 115.64 114.35 3ig9 s THR 11 Ca 0.10 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3ig9 s THR 11 Cb -0.12 -3.19 0.07 0.00 0.01 0.00 0.00 72.50 69.28 3ig9 s THR 11 CO 0.02 0.05 0.65 -1.38 -0.69 0.00 0.00 174.62 173.27 3ig9 s HIS 12 N -0.28 -0.62 0.62 4.92 -3.43 -0.77 -4.88 115.29 110.84 3ig9 s HIS 12 Ca 0.59 1.05 -0.19 0.00 -0.80 0.00 0.00 55.06 55.72 3ig9 s HIS 12 Cb -0.45 0.39 -0.02 0.00 -1.43 0.00 0.00 32.58 31.07 3ig9 s HIS 12 CO 0.49 -0.60 1.27 -2.14 -2.00 0.00 0.00 174.74 171.76 3ig9 s PRO 13 N -1.26 2.76 -0.40 -0.38 0.02 -1.26 -1.14 135.00 133.34 3ig9 s PRO 13 Ca -0.11 2.01 0.09 0.00 0.02 0.00 0.00 61.00 63.01 3ig9 s PRO 13 Cb -0.00 -1.92 0.29 0.00 0.02 0.00 0.00 34.50 32.89 3ig9 s PRO 13 CO 0.09 -1.42 0.71 0.00 -0.33 0.00 0.00 177.00 176.06 3ig9 n ALA 14 N -1.69 1.38 0.00 -1.55 0.00 -0.14 -4.75 120.51 113.76 3ig9 n ALA 14 Ca 0.14 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.68 3ig9 n ALA 14 Cb 0.48 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3ig9 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ig9 n GLY 15 N 0.93 1.62 3.75 0.00 0.00 -1.26 -4.46 105.19 105.77 3ig9 n GLY 15 Ca 0.19 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3ig9 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ig9 s GLU 16 N -3.62 4.10 0.00 1.61 2.12 -1.26 -1.25 118.70 120.41 3ig9 s GLU 16 Ca 0.00 2.61 0.00 0.00 0.36 0.00 0.00 54.97 57.94 3ig9 s GLU 16 Cb 0.00 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.38 3ig9 s GLU 16 CO 0.00 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 3ig9 n GLY 17 N 2.08 0.41 3.31 -1.50 0.00 -1.26 -4.98 105.19 103.25 3ig9 n GLY 17 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3ig9 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ig9 s LYS 18 N -0.69 1.20 0.27 1.61 1.02 -0.38 -1.46 119.74 121.31 3ig9 s LYS 18 Ca 0.00 -1.39 -0.14 0.00 0.02 0.00 0.00 55.97 54.46 3ig9 s LYS 18 Cb 0.00 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 3ig9 s LYS 18 CO 0.00 0.22 0.53 -1.83 -0.92 0.00 0.00 175.35 173.36 3ig9 s GLU 19 N -2.92 1.64 -0.13 1.68 -1.05 0.66 -0.96 118.70 117.62 3ig9 s GLU 19 Ca 0.15 -1.25 0.02 0.00 -0.15 0.00 0.00 54.97 53.74 3ig9 s GLU 19 Cb -0.04 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 3ig9 s GLU 19 CO 0.05 -0.70 -0.19 0.08 0.95 0.00 0.00 175.26 175.45 3ig9 s VAL 20 N -3.86 1.86 0.31 1.83 1.01 -0.29 0.38 120.40 121.64 3ig9 s VAL 20 Ca 0.21 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3ig9 s VAL 20 Cb -0.02 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 3ig9 s VAL 20 CO 0.10 0.51 1.04 -0.54 0.00 0.00 0.00 175.10 176.21 3ig9 s LYS 21 N 0.95 4.53 0.73 2.72 1.02 -1.26 -1.85 119.74 126.58 3ig9 s LYS 21 Ca -0.05 1.62 -0.11 0.00 0.02 0.00 0.00 55.97 57.45 3ig9 s LYS 21 Cb -0.15 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.21 3ig9 s LYS 21 CO -0.03 0.17 1.07 0.20 -0.92 0.00 0.00 175.35 175.84 3ig9 s GLY 22 N -1.20 1.68 0.08 -3.33 0.00 -1.26 -4.70 107.32 98.58 3ig9 s GLY 22 Ca 0.48 0.17 -0.09 0.00 0.00 0.00 0.00 44.72 45.28 3ig9 s GLY 22 CO 0.34 0.50 0.21 -3.16 0.00 0.00 0.00 173.10 170.99 3ig9 s MET 23 N -4.97 0.83 -0.19 2.90 0.23 -1.11 -4.85 119.30 112.14 3ig9 s MET 23 Ca 0.60 -0.87 0.01 0.00 -1.03 0.00 0.00 55.69 54.40 3ig9 s MET 23 Cb -0.15 0.34 0.03 0.00 -1.53 0.00 0.00 34.83 33.51 3ig9 s MET 23 CO 0.55 -0.27 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.89 3ig9 s GLU 24 N -3.59 2.81 -0.02 3.16 2.02 -1.26 -0.98 118.70 120.84 3ig9 s GLU 24 Ca 0.03 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.14 3ig9 s GLU 24 Cb 0.03 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.69 3ig9 s GLU 24 CO -0.10 -0.27 -0.04 0.54 0.02 0.00 0.00 175.26 175.41 3ig9 s VAL 25 N 1.28 0.41 -0.23 2.63 0.11 -0.38 -4.30 120.40 119.92 3ig9 s VAL 25 Ca 0.03 -0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 3ig9 s VAL 25 Cb -0.14 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 3ig9 s VAL 25 CO -0.12 0.15 0.14 -0.44 -3.33 0.00 0.00 175.10 171.50 3ig9 s SER 26 N 0.25 5.96 -0.15 3.54 0.01 -0.12 -1.01 113.70 122.19 3ig9 s SER 26 Ca -0.03 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3ig9 s SER 26 Cb -0.06 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.11 3ig9 s SER 26 CO -0.00 0.07 -0.20 -0.69 0.41 0.00 0.00 173.24 172.83 3ig9 s VAL 27 N 1.05 1.94 0.14 3.43 1.01 -0.50 -0.95 120.40 126.52 3ig9 s VAL 27 Ca 0.07 -0.89 -0.34 0.00 0.00 0.00 0.00 61.98 60.81 3ig9 s VAL 27 Cb -0.14 -1.74 -0.16 0.00 0.00 0.00 0.00 36.38 34.34 3ig9 s VAL 27 CO 0.04 0.52 1.21 -2.65 0.00 0.00 0.00 175.10 174.23 3ig9 n PRO 28 N 4.33 1.10 -0.06 2.72 -0.02 -1.26 -0.27 135.00 141.54 3ig9 n PRO 28 Ca -0.20 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 3ig9 n PRO 28 Cb 0.51 -1.93 0.35 0.00 -0.02 0.00 0.00 33.50 32.40 3ig9 n PRO 28 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ig9 h PHE 29 N 3.73 0.64 -0.69 6.00 3.57 -1.62 -1.84 116.94 126.72 3ig9 h PHE 29 Ca -0.45 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 3ig9 h PHE 29 Cb 1.35 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3ig9 h PHE 29 CO 0.56 0.45 0.18 0.93 -2.23 0.00 0.00 178.31 178.20 3ig9 h GLU 30 N 0.67 1.08 -0.41 1.11 5.08 -1.88 0.24 114.58 120.47 3ig9 h GLU 30 Ca 0.17 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3ig9 h GLU 30 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3ig9 h GLU 30 CO -0.03 0.95 0.16 0.82 -1.00 0.00 0.00 179.01 179.91 3ig9 h ILE 31 N 1.03 1.20 -0.10 3.13 2.04 -1.74 -1.72 117.51 121.36 3ig9 h ILE 31 Ca 0.22 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3ig9 h ILE 31 Cb 0.34 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3ig9 h ILE 31 CO -0.00 0.23 0.06 0.22 0.00 0.00 0.00 178.15 178.65 3ig9 h TYR 32 N 0.52 0.14 0.00 1.37 3.20 -0.89 -3.10 116.97 118.22 3ig9 h TYR 32 Ca 0.14 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3ig9 h TYR 32 Cb 0.20 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3ig9 h TYR 32 CO 0.00 0.15 -0.40 0.66 -1.64 0.00 0.00 178.16 176.93 3ig9 h SER 33 N 0.08 0.00 -0.63 -2.11 4.64 -0.49 -2.92 113.55 112.12 3ig9 h SER 33 Ca 0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3ig9 h SER 33 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3ig9 h SER 33 CO -0.01 0.40 0.26 0.78 -0.87 0.00 0.00 176.83 177.40 3ig9 h ASN 34 N 0.00 0.89 -1.01 4.97 2.35 -1.24 -3.43 115.58 118.11 3ig9 h ASN 34 Ca -0.00 -0.12 0.14 0.00 -0.55 0.00 0.00 56.30 55.76 3ig9 h ASN 34 Cb 0.91 -0.23 -0.21 0.00 0.05 0.00 0.00 38.32 38.84 3ig9 h ASN 34 CO 0.05 0.80 -0.06 -0.70 -1.65 0.00 0.00 177.43 175.87 3ig9 s GLU 35 N -5.44 0.43 0.04 0.81 2.12 -1.10 -5.12 118.70 110.44 3ig9 s GLU 35 Ca -0.11 0.88 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 3ig9 s GLU 35 Cb 0.16 0.50 -0.02 0.00 0.26 0.00 0.00 34.13 35.04 3ig9 s GLU 35 CO 0.81 -0.35 0.06 -3.38 -0.54 0.00 0.00 175.26 171.85 3ig9 s HIS 36 N 2.82 0.26 -0.14 5.30 -3.43 -1.23 -4.68 115.29 114.18 3ig9 s HIS 36 Ca 0.07 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 3ig9 s HIS 36 Cb -0.12 -0.19 0.02 0.00 -1.43 0.00 0.00 32.58 30.87 3ig9 s HIS 36 CO -0.18 -0.34 -0.12 0.50 -2.00 0.00 0.00 174.74 172.60 3ig9 s ARG 37 N -2.60 2.11 -0.36 -0.38 3.52 -1.26 -5.09 118.95 114.88 3ig9 s ARG 37 Ca -0.05 -0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 3ig9 s ARG 37 Cb -0.01 -2.00 0.07 0.00 -1.56 0.00 0.00 34.95 31.45 3ig9 s ARG 37 CO -0.05 -0.25 0.12 0.42 -0.81 0.00 0.00 175.30 174.73 3ig9 s ILE 38 N 1.54 3.40 0.00 4.11 1.01 -1.26 -4.88 121.20 125.11 3ig9 s ILE 38 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.16 3ig9 s ILE 38 Cb -0.13 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3ig9 s ILE 38 CO -0.10 -0.35 0.21 0.00 0.00 0.00 0.00 174.94 174.70 3ig9 n ALA 39 N 4.69 1.49 -2.67 9.38 0.00 -1.26 -5.04 120.51 127.10 3ig9 n ALA 39 Ca -0.09 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 3ig9 n ALA 39 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 3ig9 n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ig9 s ASP 40 N -0.22 1.96 0.00 0.00 2.15 -1.26 -5.02 116.67 114.28 3ig9 s ASP 40 Ca 0.00 -0.31 0.28 0.00 0.43 0.00 0.00 52.55 52.96 3ig9 s ASP 40 Cb 0.00 -0.34 1.17 0.00 -0.30 0.00 0.00 42.92 43.45 3ig9 s ASP 40 CO 0.00 0.18 1.84 0.00 -0.17 0.00 0.00 175.17 177.02 3ig9 n ALA 41 N 2.86 2.71 -1.89 3.66 0.00 -1.26 -4.55 120.51 122.04 3ig9 n ALA 41 Ca -0.16 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3ig9 n ALA 41 Cb 0.54 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 3ig9 n ALA 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ig9 n HIS 42 N -1.25 2.73 -3.71 0.00 8.25 -1.26 -4.86 115.22 115.13 3ig9 n HIS 42 Ca 0.11 -2.89 -0.09 0.00 -0.26 0.00 0.00 57.72 54.58 3ig9 n HIS 42 Cb 0.30 -2.09 -0.03 0.00 1.12 0.00 0.00 29.99 29.29 3ig9 n HIS 42 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ig9 s TYR 43 N 0.43 -0.23 0.05 4.41 1.13 -1.26 -1.22 117.35 120.66 3ig9 s TYR 43 Ca 0.53 -0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 56.06 3ig9 s TYR 43 Cb 0.16 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.51 3ig9 s TYR 43 CO -0.06 -1.01 -0.03 1.14 -2.51 0.00 0.00 175.55 173.08 3ig9 s GLN 44 N -3.86 0.62 -0.01 -3.49 -2.07 -0.10 -4.99 119.66 105.76 3ig9 s GLN 44 Ca 0.08 -1.22 -0.01 0.00 -1.82 0.00 0.00 55.36 52.39 3ig9 s GLN 44 Cb -0.03 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 3ig9 s GLN 44 CO -0.02 -0.11 0.04 -0.08 -1.32 0.00 0.00 175.29 173.79 3ig9 s THR 45 N -3.92 0.01 0.01 3.63 -1.32 -1.26 -1.87 115.64 110.92 3ig9 s THR 45 Ca 0.07 -0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 3ig9 s THR 45 Cb 0.08 -0.08 -0.01 0.00 -1.51 0.00 0.00 72.50 70.98 3ig9 s THR 45 CO -0.10 -0.03 -0.05 0.72 -2.21 0.00 0.00 174.62 172.95 3ig9 s PHE 46 N -0.09 0.44 0.30 9.09 -0.71 -0.79 -4.97 117.98 121.25 3ig9 s PHE 46 Ca -0.01 -0.24 -0.03 0.00 -1.04 0.00 0.00 56.93 55.60 3ig9 s PHE 46 Cb -0.01 -0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 3ig9 s PHE 46 CO 0.00 -0.05 0.54 -1.25 -1.34 0.00 0.00 175.22 173.13 3ig9 s PRO 47 N -0.68 3.59 0.07 1.99 0.04 -1.26 -0.20 135.00 138.55 3ig9 s PRO 47 Ca -0.04 -0.09 -0.26 0.00 0.04 0.00 0.00 61.00 60.66 3ig9 s PRO 47 Cb -0.05 -2.66 0.08 0.00 0.04 0.00 0.00 34.50 31.92 3ig9 s PRO 47 CO -0.00 0.21 0.73 -1.54 0.04 0.00 0.00 177.00 176.44 3ig9 s SER 48 N -3.35 -0.49 0.24 6.66 1.04 -0.64 -4.93 113.70 112.22 3ig9 s SER 48 Ca 0.43 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 3ig9 s SER 48 Cb -0.10 0.50 0.26 0.00 0.10 0.00 0.00 66.02 66.77 3ig9 s SER 48 CO 0.31 -0.78 1.63 -0.33 0.98 0.00 0.00 173.24 175.05 3ig9 h GLU 49 N 2.11 0.56 -6.44 4.02 5.08 -1.94 0.43 114.58 118.40 3ig9 h GLU 49 Ca -0.28 -0.26 -0.63 0.00 -1.00 0.00 0.00 59.36 57.19 3ig9 h GLU 49 Cb 1.26 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 3ig9 h GLU 49 CO 0.35 0.83 -0.71 0.15 -1.00 0.00 0.00 179.01 178.63 3ig9 s LYS 50 N -4.33 2.12 -0.01 2.33 1.02 -1.26 -4.45 119.74 115.16 3ig9 s LYS 50 Ca -0.07 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 3ig9 s LYS 50 Cb 0.13 -2.21 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 3ig9 s LYS 50 CO 0.82 0.45 1.55 0.00 -0.92 0.00 0.00 175.35 177.24 3ig9 s ALA 51 N -1.66 3.63 -0.39 5.17 0.00 -1.26 -4.78 121.76 122.47 3ig9 s ALA 51 Ca 0.25 0.97 0.23 0.00 0.00 0.00 0.00 51.96 53.41 3ig9 s ALA 51 Cb -0.09 -3.68 0.17 0.00 0.00 0.00 0.00 23.12 19.53 3ig9 s ALA 51 CO 0.16 -1.15 1.24 0.00 0.00 0.00 0.00 175.76 176.01 3ig9 h ALA 52 N 8.58 0.63 -2.18 0.00 0.00 -1.96 -3.47 119.26 120.86 3ig9 h ALA 52 Ca -0.39 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 3ig9 h ALA 52 Cb 1.18 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3ig9 h ALA 52 CO 0.93 0.00 -0.60 0.71 0.00 0.00 0.00 179.25 180.29 3ig9 s TYR 53 N -3.28 2.84 0.19 0.00 2.02 -1.26 -5.04 117.35 112.83 3ig9 s TYR 53 Ca 0.03 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.52 3ig9 s TYR 53 Cb 0.10 -1.29 0.11 0.00 -0.40 0.00 0.00 41.96 40.48 3ig9 s TYR 53 CO 0.74 0.57 1.49 1.15 -1.57 0.00 0.00 175.55 177.93 3ig9 h THR 54 N 1.73 1.34 -3.62 -0.71 2.02 -1.91 -3.40 112.91 108.36 3ig9 h THR 54 Ca -0.46 -1.92 -0.60 0.00 0.77 0.00 0.00 66.41 64.20 3ig9 h THR 54 Cb 1.25 1.90 -0.11 0.00 -1.74 0.00 0.00 68.15 69.45 3ig9 h THR 54 CO 0.61 0.59 0.54 -0.89 0.37 0.00 0.00 175.52 176.73 3ig9 s THR 55 N -3.85 4.53 -0.17 3.16 2.01 -1.26 -5.02 115.64 115.04 3ig9 s THR 55 Ca -0.06 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 3ig9 s THR 55 Cb 0.11 -4.38 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 3ig9 s THR 55 CO 0.84 -0.74 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.21 3ig9 s VAL 56 N 3.60 2.78 0.34 3.82 1.01 -1.26 -0.95 120.40 129.73 3ig9 s VAL 56 Ca 0.36 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 3ig9 s VAL 56 Cb -0.11 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 3ig9 s VAL 56 CO 0.24 0.50 1.37 -0.69 0.00 0.00 0.00 175.10 176.52 3ig9 s VAL 57 N 0.97 2.53 -0.21 2.92 1.01 -0.12 -4.96 120.40 122.54 3ig9 s VAL 57 Ca -0.02 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3ig9 s VAL 57 Cb -0.15 -3.33 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 3ig9 s VAL 57 CO -0.02 0.12 -0.17 0.35 0.00 0.00 0.00 175.10 175.38 3ig9 n THR 58 N 0.87 1.21 -4.06 3.92 -2.24 -1.26 -4.63 114.28 108.09 3ig9 n THR 58 Ca 0.01 -0.48 -0.15 0.00 -2.27 0.00 0.00 64.05 61.16 3ig9 n THR 58 Cb 0.41 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 3ig9 n THR 58 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ig9 s ASP 59 N -6.00 0.96 0.27 3.42 1.47 -1.26 -5.04 116.67 110.49 3ig9 s ASP 59 Ca -0.27 -1.52 -0.04 0.00 1.18 0.00 0.00 52.55 51.90 3ig9 s ASP 59 Cb 0.07 0.71 0.34 0.00 -0.34 0.00 0.00 42.92 43.70 3ig9 s ASP 59 CO 0.50 -1.39 1.94 0.00 0.68 0.00 0.00 175.17 176.89 3ig9 h ALA 60 N 2.05 1.32 -0.56 2.11 0.00 -1.98 -2.36 119.26 119.84 3ig9 h ALA 60 Ca -0.29 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3ig9 h ALA 60 Cb 1.24 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ig9 h ALA 60 CO 0.39 0.61 0.07 0.00 0.00 0.00 0.00 179.25 180.32 3ig9 h ALA 61 N 1.41 0.75 -0.78 0.00 0.00 -1.99 -0.65 119.26 118.00 3ig9 h ALA 61 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ig9 h ALA 61 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3ig9 h ALA 61 CO -0.07 0.52 0.51 0.22 0.00 0.00 0.00 179.25 180.43 3ig9 h ASP 62 N 0.84 0.91 -0.28 0.00 3.58 -1.87 -2.25 116.42 117.35 3ig9 h ASP 62 Ca 0.17 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.47 3ig9 h ASP 62 Cb 0.45 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 3ig9 h ASP 62 CO 0.02 0.67 -0.27 -0.25 -2.88 0.00 0.00 179.24 176.52 3ig9 h TRP 63 N 1.06 0.81 -0.68 0.28 -0.00 -1.10 -1.56 115.95 114.75 3ig9 h TRP 63 Ca 0.28 -0.24 0.11 0.00 -0.00 0.00 0.00 58.89 59.04 3ig9 h TRP 63 Cb -0.10 -0.17 -0.08 0.00 -0.00 0.00 0.00 29.16 28.81 3ig9 h TRP 63 CO -0.02 0.98 0.28 -0.09 -0.00 0.00 0.00 178.44 179.59 3ig9 h ARG 64 N 0.40 0.45 0.10 2.65 2.43 -0.99 0.31 114.38 119.74 3ig9 h ARG 64 Ca 0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ig9 h ARG 64 Cb 0.84 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3ig9 h ARG 64 CO 0.07 0.30 -0.05 1.15 -1.51 0.00 0.00 179.97 179.92 3ig9 h THR 65 N 0.46 1.00 -0.56 0.20 2.02 -1.20 -2.25 112.91 112.58 3ig9 h THR 65 Ca 0.35 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3ig9 h THR 65 Cb 0.47 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3ig9 h THR 65 CO -0.34 0.09 -0.01 0.11 0.37 0.00 0.00 175.52 175.75 3ig9 h LYS 66 N -0.30 0.97 -0.89 6.66 1.57 -0.89 -2.48 116.57 121.21 3ig9 h LYS 66 Ca -0.01 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3ig9 h LYS 66 Cb 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3ig9 h LYS 66 CO 0.02 0.96 0.50 -0.97 -0.57 0.00 0.00 179.45 179.39 3ig9 h ASN 67 N 0.89 1.10 0.34 0.86 -0.00 -0.37 -2.31 115.58 116.09 3ig9 h ASN 67 Ca 0.16 -0.09 -0.08 0.00 -0.00 0.00 0.00 56.30 56.28 3ig9 h ASN 67 Cb 0.53 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.56 3ig9 h ASN 67 CO 0.03 0.87 -0.38 0.00 -0.00 0.00 0.00 177.43 177.95 3ig9 h ALA 68 N 1.27 1.32 0.00 1.57 0.00 -1.19 -2.20 119.26 120.03 3ig9 h ALA 68 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ig9 h ALA 68 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ig9 h ALA 68 CO -0.05 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3ig9 n ALA 69 N -2.47 1.75 0.51 0.00 0.00 -0.88 -1.82 120.51 117.61 3ig9 n ALA 69 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3ig9 n ALA 69 Cb 0.42 -1.25 0.25 0.00 0.00 0.00 0.00 19.45 18.88 3ig9 n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ig9 h MET 70 N 0.00 0.00 0.00 0.00 2.07 -1.34 -3.36 114.93 112.30 3ig9 h MET 70 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3ig9 h MET 70 Cb 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3ig9 h MET 70 CO 0.00 0.00 0.00 1.19 1.07 0.00 0.00 176.91 179.17 3ig9 n PHE 71 N -2.33 0.00 -3.56 -0.22 3.72 -0.75 -4.94 117.46 109.38 3ig9 n PHE 71 Ca 0.04 -0.20 -0.41 0.00 -0.05 0.00 0.00 57.45 56.83 3ig9 n PHE 71 Cb 0.46 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.87 3ig9 n PHE 71 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ig9 s THR 72 N -0.39 4.73 0.42 4.37 2.01 -1.06 -5.07 115.64 120.65 3ig9 s THR 72 Ca 0.00 -0.88 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 3ig9 s THR 72 Cb 0.00 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 3ig9 s THR 72 CO 0.00 -0.30 1.36 -2.84 -0.69 0.00 0.00 174.62 172.15 3ig9 s PRO 73 N 1.58 3.87 0.07 4.92 0.02 -1.26 -4.76 135.00 139.44 3ig9 s PRO 73 Ca 0.03 2.28 0.04 0.00 0.02 0.00 0.00 61.00 63.38 3ig9 s PRO 73 Cb -0.20 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 3ig9 s PRO 73 CO 0.07 -0.62 -0.12 0.95 -0.33 0.00 0.00 177.00 176.95 3ig9 s THR 74 N -1.23 0.99 0.37 0.99 -4.23 0.16 -4.90 115.64 107.79 3ig9 s THR 74 Ca 0.58 -1.32 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 3ig9 s THR 74 Cb -0.41 -1.04 -0.11 0.00 1.34 0.00 0.00 72.50 72.28 3ig9 s THR 74 CO 0.53 -0.31 1.48 -2.84 -0.54 0.00 0.00 174.62 172.94 3ig9 s PRO 75 N -1.88 4.12 0.00 3.99 0.02 -1.26 -0.25 135.00 139.74 3ig9 s PRO 75 Ca -0.02 2.55 0.13 0.00 0.02 0.00 0.00 61.00 63.68 3ig9 s PRO 75 Cb -0.09 -2.98 0.77 0.00 0.02 0.00 0.00 34.50 32.22 3ig9 s PRO 75 CO 0.02 -0.52 1.20 0.28 -0.33 0.00 0.00 177.00 177.64