#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 -2.12 3.37 -0.02 0.00 -1.26 -4.69 105.19 100.47 3ig9 n GLY 3 Ca 0.00 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.16 2.16 -0.30 1.61 1.51 0.60 -1.03 117.35 121.73 3ig9 s TYR 4 Ca 0.00 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 3ig9 s TYR 4 Cb 0.00 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 3ig9 s TYR 4 CO 0.00 0.36 0.18 0.08 -1.11 0.00 0.00 175.55 175.06 3ig9 s VAL 5 N -1.35 4.93 -0.47 0.71 1.01 0.15 -2.22 120.40 123.16 3ig9 s VAL 5 Ca 0.15 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 3ig9 s VAL 5 Cb -0.09 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.88 3ig9 s VAL 5 CO 0.07 0.12 0.51 0.20 0.00 0.00 0.00 175.10 176.00 3ig9 s ASN 6 N 1.68 6.20 -0.22 3.32 0.01 0.28 -1.07 114.94 125.14 3ig9 s ASN 6 Ca 0.06 -0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 51.19 3ig9 s ASN 6 Cb -0.17 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3ig9 s ASN 6 CO 0.08 -0.73 0.10 -0.63 -1.51 0.00 0.00 177.10 174.41 3ig9 s ILE 7 N 2.23 4.86 -0.20 0.60 1.01 0.08 -1.96 121.20 127.81 3ig9 s ILE 7 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 3ig9 s ILE 7 Cb -0.20 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.05 3ig9 s ILE 7 CO 0.11 0.39 -0.15 -0.75 0.00 0.00 0.00 174.94 174.54 3ig9 s LYS 8 N 0.91 3.05 0.12 2.79 2.20 -0.70 -1.17 119.74 126.94 3ig9 s LYS 8 Ca 0.05 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3ig9 s LYS 8 Cb -0.14 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 3ig9 s LYS 8 CO 0.03 -0.23 0.23 0.95 -0.36 0.00 0.00 175.35 175.97 3ig9 s THR 9 N 1.33 5.16 -0.04 3.43 -4.23 -0.15 -0.56 115.64 120.58 3ig9 s THR 9 Ca 0.05 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3ig9 s THR 9 Cb -0.14 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 3ig9 s THR 9 CO -0.10 -0.02 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.59 3ig9 s PHE 10 N -1.65 3.08 0.38 3.99 0.08 -0.36 -2.77 117.98 120.73 3ig9 s PHE 10 Ca 0.34 0.11 -0.28 0.00 0.12 0.00 0.00 56.93 57.21 3ig9 s PHE 10 Cb -0.11 -1.71 -0.11 0.00 -0.57 0.00 0.00 43.02 40.52 3ig9 s PHE 10 CO 0.27 0.44 1.48 0.99 -0.10 0.00 0.00 175.22 178.30 3ig9 s THR 11 N -0.98 2.06 -0.02 0.64 2.01 -1.26 -4.24 115.64 113.85 3ig9 s THR 11 Ca 0.16 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3ig9 s THR 11 Cb -0.11 -3.04 0.08 0.00 0.01 0.00 0.00 72.50 69.44 3ig9 s THR 11 CO 0.06 0.01 0.73 -1.38 -0.69 0.00 0.00 174.62 173.35 3ig9 s HIS 12 N -1.13 -0.57 0.68 4.92 -3.43 -0.84 -4.88 115.29 110.04 3ig9 s HIS 12 Ca 0.53 0.82 -0.17 0.00 -0.80 0.00 0.00 55.06 55.44 3ig9 s HIS 12 Cb -0.46 0.46 0.01 0.00 -1.43 0.00 0.00 32.58 31.15 3ig9 s HIS 12 CO 0.63 -0.61 1.28 -2.30 -2.00 0.00 0.00 174.74 171.73 3ig9 n PRO 13 N 0.53 0.96 -2.75 -0.38 -0.02 -1.26 -0.57 135.00 131.50 3ig9 n PRO 13 Ca -0.16 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 3ig9 n PRO 13 Cb 0.59 -2.52 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3ig9 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ig9 n ALA 14 N -2.15 2.37 0.00 3.55 0.00 -0.78 -4.68 120.51 118.82 3ig9 n ALA 14 Ca 0.16 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 51.00 3ig9 n ALA 14 Cb 0.48 -0.97 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 -0.12 0.12 3.63 0.00 0.00 -1.26 -4.71 105.19 102.85 3ig9 n GLY 15 Ca 0.08 -1.54 -0.47 0.00 0.00 0.00 0.00 46.02 44.10 3ig9 n GLY 15 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ig9 n GLU 16 N 0.59 1.65 0.00 1.61 2.13 -1.26 -1.25 120.64 124.10 3ig9 n GLU 16 Ca 0.00 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3ig9 n GLU 16 Cb 0.00 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.51 3ig9 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ig9 n GLY 17 N 2.29 2.27 3.41 8.31 0.00 -1.26 -5.00 105.19 115.21 3ig9 n GLY 17 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.33 1.50 0.13 1.61 1.02 -0.38 -0.27 119.74 123.00 3ig9 s LYS 18 Ca 0.00 -1.61 -0.10 0.00 0.02 0.00 0.00 55.97 54.28 3ig9 s LYS 18 Cb 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 3ig9 s LYS 18 CO 0.00 0.31 0.27 -1.83 -0.92 0.00 0.00 175.35 173.17 3ig9 s GLU 19 N -3.20 1.02 -0.23 1.68 -1.05 0.11 -1.86 118.70 115.17 3ig9 s GLU 19 Ca 0.24 -1.02 -0.05 0.00 -0.15 0.00 0.00 54.97 53.99 3ig9 s GLU 19 Cb -0.05 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 3ig9 s GLU 19 CO 0.11 -0.36 -0.01 0.08 0.95 0.00 0.00 175.26 176.03 3ig9 s VAL 20 N -3.90 3.67 0.19 1.83 1.01 0.26 -0.46 120.40 123.00 3ig9 s VAL 20 Ca 0.10 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3ig9 s VAL 20 Cb 0.04 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 3ig9 s VAL 20 CO -0.06 0.40 1.03 -0.54 0.00 0.00 0.00 175.10 175.93 3ig9 s LYS 21 N 1.48 4.68 0.74 2.72 1.02 -1.26 -1.98 119.74 127.14 3ig9 s LYS 21 Ca 0.06 1.62 -0.11 0.00 0.02 0.00 0.00 55.97 57.55 3ig9 s LYS 21 Cb -0.14 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3ig9 s LYS 21 CO -0.01 0.22 1.09 0.20 -0.92 0.00 0.00 175.35 175.93 3ig9 s GLY 22 N -0.41 1.76 0.11 -3.33 0.00 -1.26 -4.77 107.32 99.42 3ig9 s GLY 22 Ca 0.46 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 3ig9 s GLY 22 CO 0.34 0.64 0.11 -3.16 0.00 0.00 0.00 173.10 171.03 3ig9 s MET 23 N -4.77 0.88 -0.13 2.90 0.23 -1.11 -4.85 119.30 112.44 3ig9 s MET 23 Ca 0.62 -1.23 0.02 0.00 -1.03 0.00 0.00 55.69 54.07 3ig9 s MET 23 Cb -0.17 0.28 0.01 0.00 -1.53 0.00 0.00 34.83 33.42 3ig9 s MET 23 CO 0.53 -0.26 -0.20 -1.21 -2.03 0.00 0.00 175.02 171.85 3ig9 s GLU 24 N -3.96 2.81 -0.04 3.16 2.02 -1.26 -0.97 118.70 120.46 3ig9 s GLU 24 Ca 0.14 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 3ig9 s GLU 24 Cb 0.06 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 32.01 3ig9 s GLU 24 CO -0.04 -0.03 0.10 0.54 0.02 0.00 0.00 175.26 175.85 3ig9 s VAL 25 N 0.86 -0.02 -0.22 2.63 0.11 -0.31 -4.38 120.40 119.07 3ig9 s VAL 25 Ca -0.07 0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 3ig9 s VAL 25 Cb -0.15 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3ig9 s VAL 25 CO -0.02 0.03 0.11 -0.44 -3.33 0.00 0.00 175.10 171.45 3ig9 s SER 26 N 0.43 5.80 -0.12 3.54 0.01 -0.20 -0.74 113.70 122.41 3ig9 s SER 26 Ca -0.03 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.31 3ig9 s SER 26 Cb -0.05 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.17 3ig9 s SER 26 CO -0.02 0.09 -0.20 -0.69 0.41 0.00 0.00 173.24 172.84 3ig9 s VAL 27 N 0.87 1.86 0.21 3.43 1.01 -0.23 -0.89 120.40 126.65 3ig9 s VAL 27 Ca 0.06 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 3ig9 s VAL 27 Cb -0.13 -1.65 -0.14 0.00 0.00 0.00 0.00 36.38 34.45 3ig9 s VAL 27 CO 0.03 0.51 1.30 -2.65 0.00 0.00 0.00 175.10 174.29 3ig9 n PRO 28 N 4.05 1.65 -0.37 2.72 -0.02 -1.26 0.29 135.00 142.06 3ig9 n PRO 28 Ca -0.20 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 3ig9 n PRO 28 Cb 0.52 -2.18 0.17 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.90 1.21 -0.43 6.00 3.57 -1.36 -1.88 116.94 127.94 3ig9 h PHE 29 Ca -0.44 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.11 3ig9 h PHE 29 Cb 1.31 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3ig9 h PHE 29 CO 0.56 0.63 0.26 1.49 -2.23 0.00 0.00 178.31 179.01 3ig9 h GLU 30 N 1.18 0.50 -0.59 1.11 4.57 -1.88 0.89 114.58 120.36 3ig9 h GLU 30 Ca 0.43 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.53 3ig9 h GLU 30 Cb 0.16 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3ig9 h GLU 30 CO -0.17 0.33 0.16 0.82 -1.18 0.00 0.00 179.01 178.98 3ig9 h ILE 31 N 0.52 1.25 0.16 2.32 2.04 -1.76 -2.26 117.51 119.78 3ig9 h ILE 31 Ca 0.17 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3ig9 h ILE 31 Cb -0.00 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3ig9 h ILE 31 CO -0.07 0.32 -0.08 0.22 0.00 0.00 0.00 178.15 178.55 3ig9 h TYR 32 N 0.85 -0.20 -0.28 1.37 3.20 -0.80 -3.05 116.97 118.06 3ig9 h TYR 32 Ca 0.19 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 3ig9 h TYR 32 Cb 0.32 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3ig9 h TYR 32 CO 0.02 -0.04 -0.12 0.66 -1.64 0.00 0.00 178.16 177.05 3ig9 h SER 33 N -0.33 0.44 -0.08 -2.11 4.64 -0.82 -3.02 113.55 112.27 3ig9 h SER 33 Ca -0.02 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 3ig9 h SER 33 Cb 0.26 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3ig9 h SER 33 CO 0.04 0.60 -0.17 0.78 -0.87 0.00 0.00 176.83 177.20 3ig9 h ASN 34 N 0.43 0.45 -2.03 4.97 2.35 -1.34 -3.42 115.58 116.98 3ig9 h ASN 34 Ca 0.08 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 3ig9 h ASN 34 Cb 0.47 -0.12 -0.21 0.00 0.05 0.00 0.00 38.32 38.51 3ig9 h ASN 34 CO 0.03 0.64 -0.15 -0.70 -1.65 0.00 0.00 177.43 175.60 3ig9 s GLU 35 N -4.64 0.56 0.00 0.81 2.12 -1.14 -5.12 118.70 111.29 3ig9 s GLU 35 Ca -0.07 1.42 -0.08 0.00 0.36 0.00 0.00 54.97 56.61 3ig9 s GLU 35 Cb 0.14 0.83 0.00 0.00 0.26 0.00 0.00 34.13 35.37 3ig9 s GLU 35 CO 0.78 -0.21 0.14 -3.38 -0.54 0.00 0.00 175.26 172.05 3ig9 s HIS 36 N 2.88 0.03 -0.21 5.30 -3.43 -1.24 -4.65 115.29 113.96 3ig9 s HIS 36 Ca -0.05 -0.11 0.01 0.00 -0.80 0.00 0.00 55.06 54.11 3ig9 s HIS 36 Cb -0.12 -0.04 0.04 0.00 -1.43 0.00 0.00 32.58 31.03 3ig9 s HIS 36 CO -0.19 -0.29 -0.12 0.50 -2.00 0.00 0.00 174.74 172.65 3ig9 s ARG 37 N -1.35 2.26 -0.41 -0.38 3.52 -1.26 -5.08 118.95 116.24 3ig9 s ARG 37 Ca -0.14 -0.96 -0.04 0.00 -0.13 0.00 0.00 55.73 54.45 3ig9 s ARG 37 Cb -0.07 -2.56 0.10 0.00 -1.56 0.00 0.00 34.95 30.86 3ig9 s ARG 37 CO 0.02 -0.42 0.22 0.42 -0.81 0.00 0.00 175.30 174.72 3ig9 s ILE 38 N 1.30 3.51 -0.05 4.11 1.01 -1.26 -4.92 121.20 124.91 3ig9 s ILE 38 Ca -0.02 -1.90 0.16 0.00 0.00 0.00 0.00 60.65 58.90 3ig9 s ILE 38 Cb -0.17 -3.34 -0.25 0.00 0.01 0.00 0.00 42.46 38.72 3ig9 s ILE 38 CO -0.08 -0.64 0.30 0.00 0.00 0.00 0.00 174.94 174.51 3ig9 n ALA 39 N 4.68 2.40 -2.34 9.38 0.00 -1.26 -5.00 120.51 128.37 3ig9 n ALA 39 Ca -0.05 -0.54 -0.18 0.00 0.00 0.00 0.00 53.44 52.67 3ig9 n ALA 39 Cb 0.42 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 3ig9 n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ig9 s ASP 40 N -4.16 2.28 0.00 0.00 1.01 -1.26 -5.03 116.67 109.50 3ig9 s ASP 40 Ca -0.07 -1.10 0.25 0.00 0.71 0.00 0.00 52.55 52.34 3ig9 s ASP 40 Cb 0.09 -0.08 0.72 0.00 1.01 0.00 0.00 42.92 44.66 3ig9 s ASP 40 CO 0.69 -0.32 1.55 0.00 0.21 0.00 0.00 175.17 177.30 3ig9 n ALA 41 N -0.39 2.52 -1.93 5.23 0.00 -1.26 -4.69 120.51 119.98 3ig9 n ALA 41 Ca -0.07 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 3ig9 n ALA 41 Cb 0.62 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 0.62 2.85 -3.63 0.00 8.25 -1.26 -4.86 115.22 117.19 3ig9 n HIS 42 Ca 0.17 -2.89 -0.10 0.00 -0.26 0.00 0.00 57.72 54.65 3ig9 n HIS 42 Cb 0.43 -2.13 -0.02 0.00 1.12 0.00 0.00 29.99 29.39 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 0.78 -0.36 0.09 4.41 1.13 -1.26 -1.23 117.35 120.91 3ig9 s TYR 43 Ca 0.51 0.04 0.01 0.00 -1.41 0.00 0.00 57.07 56.22 3ig9 s TYR 43 Cb 0.15 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.57 3ig9 s TYR 43 CO -0.05 -1.01 -0.06 1.14 -2.51 0.00 0.00 175.55 173.06 3ig9 s GLN 44 N -3.83 0.81 -0.04 -3.49 -2.07 0.27 -4.98 119.66 106.33 3ig9 s GLN 44 Ca 0.06 -1.32 -0.03 0.00 -1.82 0.00 0.00 55.36 52.25 3ig9 s GLN 44 Cb -0.03 -0.13 0.02 0.00 -1.09 0.00 0.00 33.01 31.77 3ig9 s GLN 44 CO -0.04 -0.04 0.09 -0.08 -1.32 0.00 0.00 175.29 173.90 3ig9 s THR 45 N -3.68 -0.02 0.01 3.63 -1.32 -1.26 -1.72 115.64 111.29 3ig9 s THR 45 Ca 0.12 0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 3ig9 s THR 45 Cb 0.06 -0.14 -0.01 0.00 -1.51 0.00 0.00 72.50 70.89 3ig9 s THR 45 CO -0.05 0.02 -0.05 0.72 -2.21 0.00 0.00 174.62 173.05 3ig9 s PHE 46 N 0.38 0.44 0.27 9.09 -0.71 -0.83 -4.97 117.98 121.64 3ig9 s PHE 46 Ca -0.03 -0.27 -0.06 0.00 -1.04 0.00 0.00 56.93 55.53 3ig9 s PHE 46 Cb -0.04 -0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.43 3ig9 s PHE 46 CO -0.01 -0.05 0.54 -1.25 -1.34 0.00 0.00 175.22 173.11 3ig9 s PRO 47 N -0.76 3.68 0.16 1.99 0.05 -1.26 -0.56 135.00 138.30 3ig9 s PRO 47 Ca -0.05 0.08 -0.24 0.00 0.05 0.00 0.00 61.00 60.85 3ig9 s PRO 47 Cb -0.05 -2.65 0.06 0.00 0.05 0.00 0.00 34.50 31.90 3ig9 s PRO 47 CO -0.00 0.25 0.69 -1.54 0.05 0.00 0.00 177.00 176.46 3ig9 s SER 48 N -2.90 -0.44 0.19 6.66 1.04 -0.94 -4.95 113.70 112.36 3ig9 s SER 48 Ca 0.45 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.65 3ig9 s SER 48 Cb -0.11 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.72 3ig9 s SER 48 CO 0.27 -1.00 1.55 -0.33 0.98 0.00 0.00 173.24 174.71 3ig9 h GLU 49 N 2.00 0.73 -6.38 4.02 3.07 -1.95 0.17 114.58 116.25 3ig9 h GLU 49 Ca -0.28 -0.37 -0.61 0.00 -0.50 0.00 0.00 59.36 57.60 3ig9 h GLU 49 Cb 1.28 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.06 3ig9 h GLU 49 CO 0.33 0.99 -0.72 0.15 -1.40 0.00 0.00 179.01 178.35 3ig9 s LYS 50 N -4.35 2.02 0.00 2.33 1.02 -1.26 -4.49 119.74 115.01 3ig9 s LYS 50 Ca -0.09 -1.39 -0.30 0.00 0.02 0.00 0.00 55.97 54.21 3ig9 s LYS 50 Cb 0.12 -2.08 -0.07 0.00 -0.52 0.00 0.00 37.83 35.28 3ig9 s LYS 50 CO 0.85 0.40 1.61 0.00 -0.92 0.00 0.00 175.35 177.29 3ig9 s ALA 51 N -1.94 3.64 -0.18 5.17 0.00 -1.26 -4.78 121.76 122.40 3ig9 s ALA 51 Ca 0.27 1.03 0.16 0.00 0.00 0.00 0.00 51.96 53.41 3ig9 s ALA 51 Cb -0.08 -3.70 0.08 0.00 0.00 0.00 0.00 23.12 19.42 3ig9 s ALA 51 CO 0.16 -1.21 1.44 0.00 0.00 0.00 0.00 175.76 176.15 3ig9 h ALA 52 N 8.80 0.70 -2.35 0.00 0.00 -1.96 -3.47 119.26 120.98 3ig9 h ALA 52 Ca -0.40 -0.43 -0.55 0.00 0.00 0.00 0.00 54.91 53.53 3ig9 h ALA 52 Cb 1.19 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 3ig9 h ALA 52 CO 0.94 0.58 -0.61 0.71 0.00 0.00 0.00 179.25 180.86 3ig9 s TYR 53 N -2.98 2.85 0.08 0.00 2.02 -1.26 -5.04 117.35 113.02 3ig9 s TYR 53 Ca 0.04 -0.17 -0.22 0.00 -0.37 0.00 0.00 57.07 56.35 3ig9 s TYR 53 Cb 0.07 -1.30 -0.12 0.00 -0.40 0.00 0.00 41.96 40.21 3ig9 s TYR 53 CO 0.74 0.57 1.64 1.15 -1.57 0.00 0.00 175.55 178.08 3ig9 h THR 54 N 1.90 1.12 -3.42 -0.71 2.02 -1.91 -3.40 112.91 108.51 3ig9 h THR 54 Ca -0.46 -0.35 -0.57 0.00 0.77 0.00 0.00 66.41 65.80 3ig9 h THR 54 Cb 1.24 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 3ig9 h THR 54 CO 0.60 0.11 0.99 -0.89 0.37 0.00 0.00 175.52 176.70 3ig9 s THR 55 N -5.69 4.08 -0.18 3.16 2.01 -1.26 -4.98 115.64 112.78 3ig9 s THR 55 Ca -0.14 1.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.99 3ig9 s THR 55 Cb 0.06 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.22 3ig9 s THR 55 CO 0.68 -0.79 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.99 3ig9 s VAL 56 N 4.83 2.62 0.15 3.82 1.01 -1.26 -1.04 120.40 130.53 3ig9 s VAL 56 Ca 0.55 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 3ig9 s VAL 56 Cb -0.12 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 3ig9 s VAL 56 CO 0.30 0.50 1.50 -0.69 0.00 0.00 0.00 175.10 176.71 3ig9 s VAL 57 N 1.14 2.88 -0.11 2.92 1.01 -0.07 -4.94 120.40 123.23 3ig9 s VAL 57 Ca 0.01 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 3ig9 s VAL 57 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3ig9 s VAL 57 CO -0.05 0.05 -0.07 0.71 0.00 0.00 0.00 175.10 175.74 3ig9 h THR 58 N 4.08 0.00 -3.86 3.92 1.35 -1.91 -3.41 112.91 113.08 3ig9 h THR 58 Ca -0.43 -0.91 -0.29 0.00 -0.55 0.00 0.00 66.41 64.23 3ig9 h THR 58 Cb 1.21 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.56 3ig9 h THR 58 CO 0.89 0.00 -0.26 -0.90 -0.25 0.00 0.00 175.52 175.00 3ig9 n ASP 59 N -4.48 0.56 -0.31 5.36 5.68 -1.26 -4.99 116.55 117.11 3ig9 n ASP 59 Ca -0.03 -2.20 -0.01 0.00 -0.50 0.00 0.00 54.79 52.06 3ig9 n ASP 59 Cb 0.10 0.69 0.12 0.00 -1.14 0.00 0.00 41.12 40.89 3ig9 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ig9 h ALA 60 N 1.45 1.13 -0.83 2.12 0.00 -1.96 -1.67 119.26 119.50 3ig9 h ALA 60 Ca -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ig9 h ALA 60 Cb 0.66 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ig9 h ALA 60 CO 0.24 0.32 0.37 0.00 0.00 0.00 0.00 179.25 180.18 3ig9 h ALA 61 N 1.37 1.08 -0.48 0.00 0.00 -2.00 -1.70 119.26 117.54 3ig9 h ALA 61 Ca 0.35 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3ig9 h ALA 61 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3ig9 h ALA 61 CO -0.14 0.67 0.02 0.22 0.00 0.00 0.00 179.25 180.02 3ig9 h ASP 62 N 1.20 0.74 -0.24 0.00 3.58 -1.73 -2.06 116.42 117.91 3ig9 h ASP 62 Ca 0.28 -0.17 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 3ig9 h ASP 62 Cb 0.17 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3ig9 h ASP 62 CO -0.03 0.80 -0.16 -0.25 -2.88 0.00 0.00 179.24 176.72 3ig9 h TRP 63 N 0.73 0.63 -0.85 0.28 -0.00 -0.97 -1.92 115.95 113.84 3ig9 h TRP 63 Ca 0.15 -0.17 0.16 0.00 -0.00 0.00 0.00 58.89 59.03 3ig9 h TRP 63 Cb 0.42 -0.14 -0.10 0.00 -0.00 0.00 0.00 29.16 29.34 3ig9 h TRP 63 CO 0.02 0.83 0.42 0.00 -0.00 0.00 0.00 178.44 179.71 3ig9 h ARG 64 N 0.25 0.54 0.36 2.65 3.08 -1.01 0.28 114.38 120.53 3ig9 h ARG 64 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3ig9 h ARG 64 Cb 0.69 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3ig9 h ARG 64 CO 0.04 0.36 -0.17 1.15 -1.07 0.00 0.00 179.97 180.28 3ig9 h THR 65 N 0.56 0.66 -0.52 2.04 2.02 -1.13 -2.33 112.91 114.21 3ig9 h THR 65 Ca 0.48 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 67.32 3ig9 h THR 65 Cb 0.75 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3ig9 h THR 65 CO -0.41 0.05 -0.12 0.11 0.37 0.00 0.00 175.52 175.52 3ig9 h LYS 66 N -0.61 0.98 -0.56 6.66 1.57 -0.86 -2.61 116.57 121.14 3ig9 h LYS 66 Ca -0.05 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3ig9 h LYS 66 Cb 0.44 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3ig9 h LYS 66 CO 0.08 1.03 0.33 -0.97 -0.57 0.00 0.00 179.45 179.35 3ig9 h ASN 67 N 0.87 0.54 -0.47 0.86 -0.00 -0.49 -2.71 115.58 114.17 3ig9 h ASN 67 Ca 0.14 0.01 -0.05 0.00 -0.00 0.00 0.00 56.30 56.39 3ig9 h ASN 67 Cb 0.67 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.86 3ig9 h ASN 67 CO 0.05 0.38 0.14 0.00 -0.00 0.00 0.00 177.43 177.99 3ig9 h ALA 68 N 1.25 1.25 0.00 1.57 0.00 -1.27 -2.38 119.26 119.68 3ig9 h ALA 68 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ig9 h ALA 68 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ig9 h ALA 68 CO -0.10 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3ig9 h ALA 69 N 1.37 1.00 0.00 0.00 0.00 -1.14 -2.87 119.26 117.62 3ig9 h ALA 69 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ig9 h ALA 69 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ig9 h ALA 69 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 3ig9 n MET 70 N -2.36 0.08 -0.17 0.00 2.00 -0.90 -2.80 117.12 112.97 3ig9 n MET 70 Ca 0.01 0.32 0.04 0.00 0.00 0.00 0.00 57.70 58.08 3ig9 n MET 70 Cb 0.22 -1.65 0.06 0.00 0.00 0.00 0.00 33.22 31.84 3ig9 n MET 70 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ig9 n PHE 71 N -1.81 0.00 -3.04 2.03 3.72 -1.08 -4.90 117.46 112.38 3ig9 n PHE 71 Ca 0.03 -0.51 -0.41 0.00 -0.05 0.00 0.00 57.45 56.51 3ig9 n PHE 71 Cb 0.20 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.40 4.94 0.28 4.37 2.01 -1.12 -5.05 115.64 119.67 3ig9 s THR 72 Ca 0.14 1.27 -0.25 0.00 0.31 0.00 0.00 61.69 63.15 3ig9 s THR 72 Cb 0.12 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 3ig9 s THR 72 CO 0.01 -0.00 0.89 -2.84 -0.69 0.00 0.00 174.62 171.99 3ig9 s PRO 73 N 2.60 4.54 0.12 4.92 0.02 -1.26 -4.51 135.00 141.42 3ig9 s PRO 73 Ca 0.29 1.24 0.03 0.00 0.02 0.00 0.00 61.00 62.58 3ig9 s PRO 73 Cb -0.15 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 3ig9 s PRO 73 CO 0.08 0.34 -0.09 0.95 -0.33 0.00 0.00 177.00 177.96 3ig9 s THR 74 N -1.53 0.92 0.36 0.99 -4.23 0.39 -4.92 115.64 107.62 3ig9 s THR 74 Ca 0.47 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 3ig9 s THR 74 Cb -0.19 -1.69 -0.11 0.00 1.34 0.00 0.00 72.50 71.85 3ig9 s THR 74 CO 0.24 -0.77 1.51 -2.65 -0.54 0.00 0.00 174.62 172.41 3ig9 n PRO 75 N -0.00 2.67 0.00 3.99 -0.02 -1.26 0.04 135.00 140.42 3ig9 n PRO 75 Ca -0.12 0.94 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 3ig9 n PRO 75 Cb 0.60 -2.68 0.57 0.00 -0.02 0.00 0.00 33.50 31.97 3ig9 n PRO 75 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03