#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im9 s ILE 1 N 0.00 2.77 -0.21 1.12 -4.36 -1.26 -5.07 121.20 114.19 1im9 s ILE 1 Ca 0.00 0.25 -0.15 0.00 -0.26 0.00 0.00 60.65 60.49 1im9 s ILE 1 Cb 0.00 -2.72 0.06 0.00 1.25 0.00 0.00 42.46 41.05 1im9 s ILE 1 CO 0.00 -0.33 0.54 -1.10 0.24 0.00 0.00 174.94 174.29 1im9 s GLN 2 N -4.91 0.57 0.02 0.37 -0.21 -1.26 -4.71 119.66 109.53 1im9 s GLN 2 Ca 0.63 0.89 0.07 0.00 0.02 0.00 0.00 55.36 56.97 1im9 s GLN 2 Cb -0.18 0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.96 1im9 s GLN 2 CO 0.57 -0.12 -0.21 1.03 -2.12 0.00 0.00 175.29 174.44 1im9 s ARG 3 N 1.01 1.49 0.27 2.91 0.52 -0.24 -4.92 118.95 119.99 1im9 s ARG 3 Ca -0.06 -0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 54.06 1im9 s ARG 3 Cb -0.06 -1.55 -0.09 0.00 0.52 0.00 0.00 34.95 33.78 1im9 s ARG 3 CO -0.09 0.41 0.82 0.99 0.02 0.00 0.00 175.30 177.44 1im9 s THR 4 N -0.69 4.42 0.34 0.02 2.01 -1.26 -2.29 115.64 118.18 1im9 s THR 4 Ca 0.08 1.51 -0.27 0.00 0.31 0.00 0.00 61.69 63.31 1im9 s THR 4 Cb -0.08 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1im9 s THR 4 CO 0.01 0.16 1.10 -2.16 -0.69 0.00 0.00 174.62 173.04 1im9 s PRO 5 N -2.05 4.40 0.39 4.92 0.04 -1.26 -4.23 135.00 137.20 1im9 s PRO 5 Ca 0.47 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 1im9 s PRO 5 Cb -0.17 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 1im9 s PRO 5 CO 0.22 0.01 0.67 0.15 0.04 0.00 0.00 177.00 178.09 1im9 s LYS 6 N -1.91 3.60 -0.04 4.56 1.02 0.14 -4.86 119.74 122.25 1im9 s LYS 6 Ca 0.51 0.09 -0.02 0.00 0.02 0.00 0.00 55.97 56.57 1im9 s LYS 6 Cb -0.29 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1im9 s LYS 6 CO 0.37 0.01 0.05 0.42 -0.92 0.00 0.00 175.35 175.28 1im9 s ILE 7 N -2.40 -0.08 -0.02 2.17 1.01 -1.26 -2.23 121.20 118.39 1im9 s ILE 7 Ca 0.46 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.55 1im9 s ILE 7 Cb -0.10 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 1im9 s ILE 7 CO 0.36 0.17 -0.24 -1.10 0.00 0.00 0.00 174.94 174.13 1im9 s GLN 8 N 1.94 1.91 -0.13 2.79 -0.21 -0.38 -5.00 119.66 120.57 1im9 s GLN 8 Ca 0.02 -0.85 0.00 0.00 0.02 0.00 0.00 55.36 54.55 1im9 s GLN 8 Cb -0.12 -1.85 0.02 0.00 1.00 0.00 0.00 33.01 32.06 1im9 s GLN 8 CO -0.03 0.51 -0.11 0.08 -2.12 0.00 0.00 175.29 173.62 1im9 s VAL 9 N -0.56 1.30 0.22 1.09 1.01 -1.26 -1.06 120.40 121.14 1im9 s VAL 9 Ca 0.09 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1im9 s VAL 9 Cb -0.09 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.08 1im9 s VAL 9 CO -0.01 0.41 0.89 -0.72 0.00 0.00 0.00 175.10 175.67 1im9 s TYR 10 N 1.55 -0.09 0.43 5.22 1.13 -0.30 -4.41 117.35 120.88 1im9 s TYR 10 Ca 0.04 -0.31 0.03 0.00 -1.41 0.00 0.00 57.07 55.42 1im9 s TYR 10 Cb -0.13 0.69 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1im9 s TYR 10 CO -0.09 -1.03 0.62 -1.54 -2.51 0.00 0.00 175.55 171.00 1im9 s SER 11 N -3.01 5.75 0.02 -0.18 1.04 -1.26 0.80 113.70 116.86 1im9 s SER 11 Ca 0.14 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.40 1im9 s SER 11 Cb -0.03 -1.24 -0.20 0.00 0.10 0.00 0.00 66.02 64.65 1im9 s SER 11 CO 0.05 -0.71 1.17 -0.09 0.98 0.00 0.00 173.24 174.64 1im9 h ARG 12 N 0.50 0.45 -5.82 4.02 2.43 -1.80 -3.46 114.38 110.71 1im9 h ARG 12 Ca -0.45 -0.41 -0.56 0.00 -0.81 0.00 0.00 59.98 57.75 1im9 h ARG 12 Cb 1.26 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.77 1im9 h ARG 12 CO 0.54 1.05 -0.70 -1.01 -1.51 0.00 0.00 179.97 178.34 1im9 s HIS 13 N -3.48 2.19 -0.19 2.20 3.76 -1.26 -5.04 115.29 113.47 1im9 s HIS 13 Ca -0.13 -0.54 -0.37 0.00 -0.15 0.00 0.00 55.06 53.87 1im9 s HIS 13 Cb 0.04 -1.18 -0.13 0.00 1.11 0.00 0.00 32.58 32.42 1im9 s HIS 13 CO 0.82 0.50 1.84 -2.30 -0.85 0.00 0.00 174.74 174.74 1im9 n PRO 14 N -0.66 1.70 -2.20 8.40 -0.02 -1.26 -4.83 135.00 136.12 1im9 n PRO 14 Ca -0.05 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1im9 n PRO 14 Cb 0.63 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1im9 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1im9 s ALA 15 N 4.03 3.58 -0.07 3.55 0.00 -1.26 -5.02 121.76 126.57 1im9 s ALA 15 Ca 0.96 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.90 1im9 s ALA 15 Cb -0.86 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 18.69 1im9 s ALA 15 CO 0.58 -0.84 -0.13 -1.21 0.00 0.00 0.00 175.76 174.15 1im9 s GLU 16 N 2.08 1.86 0.17 0.00 2.02 -1.26 -5.11 118.70 118.46 1im9 s GLU 16 Ca 0.65 -0.46 -0.33 0.00 0.02 0.00 0.00 54.97 54.84 1im9 s GLU 16 Cb -0.33 -1.53 -0.13 0.00 0.10 0.00 0.00 34.13 32.24 1im9 s GLU 16 CO 0.28 0.03 1.66 0.09 0.02 0.00 0.00 175.26 177.34 1im9 n ASN 17 N 3.84 3.56 0.00 -0.19 3.02 -1.26 -1.71 115.26 122.52 1im9 n ASN 17 Ca -0.22 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.40 1im9 n ASN 17 Cb 0.52 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1im9 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1im9 n GLY 18 N 3.73 0.99 3.55 7.41 0.00 -0.64 -4.99 105.19 115.24 1im9 n GLY 18 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1im9 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im9 s LYS 19 N -0.64 3.40 0.77 1.61 1.02 -0.69 -5.01 119.74 120.20 1im9 s LYS 19 Ca 0.00 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.35 1im9 s LYS 19 Cb 0.00 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1im9 s LYS 19 CO 0.00 0.40 1.05 0.45 -0.92 0.00 0.00 175.35 176.34 1im9 n SER 20 N 3.04 0.63 0.00 2.83 2.88 -1.26 -4.28 113.62 117.46 1im9 n SER 20 Ca -0.18 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1im9 n SER 20 Cb 0.53 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1im9 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1im9 n ASN 21 N -2.41 0.00 -3.89 -3.46 2.85 -0.42 -4.97 115.26 102.96 1im9 n ASN 21 Ca 0.13 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.49 1im9 n ASN 21 Cb 0.50 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.39 1im9 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1im9 s PHE 22 N -2.64 0.05 -0.29 1.20 0.40 -1.26 -2.52 117.98 112.92 1im9 s PHE 22 Ca 0.00 -0.10 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 1im9 s PHE 22 Cb 0.00 -0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.48 1im9 s PHE 22 CO 0.00 -0.07 0.10 -1.17 0.70 0.00 0.00 175.22 174.77 1im9 s LEU 23 N -0.44 3.84 0.03 -0.37 2.96 0.09 -2.03 118.68 122.76 1im9 s LEU 23 Ca -0.05 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1im9 s LEU 23 Cb -0.03 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1im9 s LEU 23 CO -0.00 -0.17 0.02 0.20 -1.32 0.00 0.00 176.35 175.08 1im9 s ASN 24 N 1.54 5.23 -0.28 3.68 0.01 0.24 -2.19 114.94 123.16 1im9 s ASN 24 Ca 0.04 -0.03 -0.02 0.00 -0.71 0.00 0.00 52.86 52.13 1im9 s ASN 24 Cb -0.17 -1.36 0.09 0.00 0.41 0.00 0.00 41.25 40.23 1im9 s ASN 24 CO 0.03 0.24 0.10 0.00 -1.51 0.00 0.00 177.10 175.97 1im9 s TYR 26 N 1.86 3.32 -0.05 0.00 5.04 -0.22 -1.65 117.35 125.65 1im9 s TYR 26 Ca 0.08 0.43 0.06 0.00 -2.44 0.00 0.00 57.07 55.20 1im9 s TYR 26 Cb -0.17 -2.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.68 1im9 s TYR 26 CO -0.28 -0.04 -0.24 0.14 -1.34 0.00 0.00 175.55 173.79 1im9 s VAL 27 N 1.41 2.17 0.22 3.14 -7.23 -0.77 -1.26 120.40 118.08 1im9 s VAL 27 Ca 0.14 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 59.10 1im9 s VAL 27 Cb -0.15 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.03 1im9 s VAL 27 CO 0.07 0.57 0.56 -0.94 -0.31 0.00 0.00 175.10 175.06 1im9 s SER 28 N -0.28 -0.25 -0.52 4.85 1.04 -0.95 -1.43 113.70 116.17 1im9 s SER 28 Ca -0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1im9 s SER 28 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1im9 s SER 28 CO 0.03 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1im9 n GLY 29 N -0.38 0.60 3.92 7.32 0.00 -0.09 0.26 105.19 116.81 1im9 n GLY 29 Ca -0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1im9 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1im9 s PHE 30 N -2.21 2.87 -0.29 1.61 -0.71 -1.18 -4.17 117.98 113.90 1im9 s PHE 30 Ca 0.00 -0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 55.35 1im9 s PHE 30 Cb 0.00 -2.05 0.16 0.00 -1.21 0.00 0.00 43.02 39.92 1im9 s PHE 30 CO 0.00 -0.06 1.10 -1.58 -1.34 0.00 0.00 175.22 173.34 1im9 s HIS 31 N -2.33 -0.39 1.43 3.49 2.46 -0.97 -1.65 115.29 117.33 1im9 s HIS 31 Ca 0.46 0.80 -0.23 0.00 0.47 0.00 0.00 55.06 56.57 1im9 s HIS 31 Cb -0.07 0.29 0.37 0.00 -0.13 0.00 0.00 32.58 33.04 1im9 s HIS 31 CO 0.29 -0.19 0.92 -2.14 -2.47 0.00 0.00 174.74 171.15 1im9 s PRO 32 N 0.98 -2.99 0.14 2.88 0.02 -1.26 -1.07 135.00 133.69 1im9 s PRO 32 Ca -0.05 0.15 -0.09 0.00 0.02 0.00 0.00 61.00 61.02 1im9 s PRO 32 Cb -0.04 -1.37 -0.05 0.00 0.02 0.00 0.00 34.50 33.06 1im9 s PRO 32 CO -0.12 -4.92 1.41 0.66 -0.33 0.00 0.00 177.00 173.69 1im9 h SER 33 N -3.45 0.87 -3.26 2.53 4.64 -2.00 -3.45 113.55 109.43 1im9 h SER 33 Ca -0.44 -0.50 -0.53 0.00 -0.47 0.00 0.00 61.79 59.86 1im9 h SER 33 Cb 1.34 -0.25 0.05 0.00 -0.31 0.00 0.00 62.40 63.22 1im9 h SER 33 CO 0.28 1.28 0.75 -1.81 -0.87 0.00 0.00 176.83 176.46 1im9 s ASP 34 N -6.98 6.72 0.03 4.97 1.11 -1.26 -5.00 116.67 116.26 1im9 s ASP 34 Ca -0.10 2.56 -0.13 0.00 0.18 0.00 0.00 52.55 55.06 1im9 s ASP 34 Cb 0.10 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.50 1im9 s ASP 34 CO 0.88 -0.67 0.28 -0.51 1.18 0.00 0.00 175.17 176.33 1im9 s ILE 35 N 0.31 0.08 -0.33 0.77 2.07 -1.26 -4.77 121.20 118.07 1im9 s ILE 35 Ca 0.61 -0.69 -0.02 0.00 -1.41 0.00 0.00 60.65 59.14 1im9 s ILE 35 Cb -0.40 -0.88 0.07 0.00 0.13 0.00 0.00 42.46 41.38 1im9 s ILE 35 CO 0.39 -0.38 0.06 -0.70 -1.91 0.00 0.00 174.94 172.40 1im9 s GLU 36 N -2.37 2.23 -0.09 3.50 2.12 -0.28 -4.98 118.70 118.81 1im9 s GLU 36 Ca -0.06 -1.47 0.03 0.00 0.36 0.00 0.00 54.97 53.83 1im9 s GLU 36 Cb -0.02 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 1im9 s GLU 36 CO -0.02 -0.77 -0.19 0.08 -0.54 0.00 0.00 175.26 173.81 1im9 s VAL 37 N 1.19 2.54 -0.01 3.70 1.01 -1.26 -1.11 120.40 126.47 1im9 s VAL 37 Ca -0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1im9 s VAL 37 Cb -0.21 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1im9 s VAL 37 CO -0.03 0.56 -0.03 -1.81 0.00 0.00 0.00 175.10 173.79 1im9 s ASP 38 N 0.04 0.41 -0.02 3.32 1.01 -0.46 -5.00 116.67 115.97 1im9 s ASP 38 Ca -0.07 -0.06 -0.08 0.00 0.71 0.00 0.00 52.55 53.05 1im9 s ASP 38 Cb -0.15 -0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 1im9 s ASP 38 CO 0.05 0.02 0.25 -0.76 0.21 0.00 0.00 175.17 174.94 1im9 s LEU 39 N 0.10 4.39 -0.03 1.23 1.43 -1.26 -0.65 118.68 123.89 1im9 s LEU 39 Ca -0.01 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1im9 s LEU 39 Cb -0.03 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 1im9 s LEU 39 CO -0.00 0.30 -0.20 -0.76 0.23 0.00 0.00 176.35 175.91 1im9 s LEU 40 N -1.50 2.01 -0.23 1.79 1.43 -0.05 -1.23 118.68 120.90 1im9 s LEU 40 Ca 0.24 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1im9 s LEU 40 Cb -0.13 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1im9 s LEU 40 CO 0.13 0.23 -0.06 -0.75 0.23 0.00 0.00 176.35 176.13 1im9 s LYS 41 N -0.32 3.18 -1.14 1.70 2.20 0.35 -1.80 119.74 123.92 1im9 s LYS 41 Ca 0.04 -0.75 -0.27 0.00 -0.36 0.00 0.00 55.97 54.63 1im9 s LYS 41 Cb -0.10 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1im9 s LYS 41 CO 0.01 -0.26 0.70 0.09 -0.36 0.00 0.00 175.35 175.53 1im9 n ASN 42 N 4.75 -4.60 0.00 1.43 4.13 -0.80 -0.55 115.26 119.61 1im9 n ASN 42 Ca -0.18 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 54.91 1im9 n ASN 42 Cb 0.50 -2.16 0.00 0.00 -1.54 0.00 0.00 39.78 36.57 1im9 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1im9 n GLY 43 N -1.94 0.69 3.63 7.41 0.00 -1.26 -4.96 105.19 108.76 1im9 n GLY 43 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1im9 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1im9 s GLU 44 N -0.29 3.29 0.27 1.61 0.41 0.28 -5.03 118.70 119.25 1im9 s GLU 44 Ca 0.00 -0.42 -0.31 0.00 -0.41 0.00 0.00 54.97 53.83 1im9 s GLU 44 Cb 0.00 -2.89 -0.12 0.00 -1.78 0.00 0.00 34.13 29.35 1im9 s GLU 44 CO 0.00 0.53 1.61 -2.13 -0.49 0.00 0.00 175.26 174.78 1im9 n ARG 45 N 2.67 2.66 -3.15 1.61 0.63 -1.26 -0.49 116.66 119.33 1im9 n ARG 45 Ca -0.18 0.95 -0.36 0.00 -0.92 0.00 0.00 57.85 57.34 1im9 n ARG 45 Cb 0.53 -2.74 -0.06 0.00 0.45 0.00 0.00 32.46 30.64 1im9 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1im9 s ILE 46 N 0.24 4.63 -0.06 5.15 1.01 -0.37 -4.86 121.20 126.94 1im9 s ILE 46 Ca 0.67 1.19 -0.14 0.00 0.00 0.00 0.00 60.65 62.37 1im9 s ILE 46 Cb -0.51 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1im9 s ILE 46 CO 0.45 0.20 0.55 -0.33 0.00 0.00 0.00 174.94 175.81 1im9 h GLU 47 N 3.41 -0.26 -5.59 2.79 4.39 -1.94 -3.43 114.58 113.95 1im9 h GLU 47 Ca -0.48 0.02 -0.63 0.00 0.34 0.00 0.00 59.36 58.61 1im9 h GLU 47 Cb 1.19 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.76 1im9 h GLU 47 CO 0.65 0.00 0.42 0.15 -1.16 0.00 0.00 179.01 179.07 1im9 s LYS 48 N -2.82 3.26 -0.02 2.33 1.02 -1.26 -5.00 119.74 117.25 1im9 s LYS 48 Ca -0.08 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.44 1im9 s LYS 48 Cb 0.00 -4.07 0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1im9 s LYS 48 CO 0.28 -1.43 0.03 0.08 -0.92 0.00 0.00 175.35 173.39 1im9 s VAL 49 N 3.59 -0.04 0.44 3.17 1.01 -1.26 -4.69 120.40 122.62 1im9 s VAL 49 Ca 0.26 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1im9 s VAL 49 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1im9 s VAL 49 CO 0.17 0.11 0.42 -1.61 0.00 0.00 0.00 175.10 174.19 1im9 s GLU 50 N 1.24 2.52 -0.14 2.72 2.02 -0.66 -4.94 118.70 121.46 1im9 s GLU 50 Ca -0.07 -1.56 -0.14 0.00 0.02 0.00 0.00 54.97 53.22 1im9 s GLU 50 Cb -0.13 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.74 1im9 s GLU 50 CO -0.03 -0.28 0.38 -3.38 0.02 0.00 0.00 175.26 171.97 1im9 s HIS 51 N -2.50 -0.41 1.34 1.61 -3.43 -1.25 -1.66 115.29 108.98 1im9 s HIS 51 Ca 0.48 1.00 -0.20 0.00 -0.80 0.00 0.00 55.06 55.54 1im9 s HIS 51 Cb -0.04 0.14 0.32 0.00 -1.43 0.00 0.00 32.58 31.58 1im9 s HIS 51 CO 0.28 -0.22 0.79 -1.13 -2.00 0.00 0.00 174.74 172.47 1im9 n SER 52 N 2.78 -3.37 -4.83 7.38 3.41 0.43 -4.93 113.62 114.48 1im9 n SER 52 Ca -0.14 -0.61 -0.34 0.00 -0.26 0.00 0.00 58.87 57.53 1im9 n SER 52 Cb 0.57 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 1im9 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1im9 s ASP 53 N -2.69 6.89 -0.12 4.04 1.01 -1.26 -4.72 116.67 119.81 1im9 s ASP 53 Ca 0.63 1.33 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 1im9 s ASP 53 Cb -0.15 -2.39 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1im9 s ASP 53 CO 0.57 -0.10 2.01 -0.22 0.21 0.00 0.00 175.17 177.64 1im9 s LEU 54 N -2.54 3.91 0.29 1.23 2.96 -1.26 -4.86 118.68 118.41 1im9 s LEU 54 Ca 0.49 2.14 0.02 0.00 -0.22 0.00 0.00 54.13 56.56 1im9 s LEU 54 Cb -0.13 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1im9 s LEU 54 CO 0.19 -1.49 0.10 -0.55 -1.32 0.00 0.00 176.35 173.28 1im9 s SER 55 N 6.07 1.66 0.09 3.68 0.15 -1.24 -5.05 113.70 119.07 1im9 s SER 55 Ca 0.90 -1.43 -0.05 0.00 0.70 0.00 0.00 55.95 56.07 1im9 s SER 55 Cb -0.35 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1im9 s SER 55 CO 0.37 -0.74 0.11 0.72 1.20 0.00 0.00 173.24 174.90 1im9 s PHE 56 N -3.58 0.41 0.20 3.44 -0.12 -1.26 -1.61 117.98 115.47 1im9 s PHE 56 Ca 0.36 -0.87 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 1im9 s PHE 56 Cb 0.07 -0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.27 1im9 s PHE 56 CO 0.15 -0.51 0.27 0.43 -0.05 0.00 0.00 175.22 175.51 1im9 n SER 57 N -0.03 0.27 -0.15 1.98 7.64 0.29 -4.91 113.62 118.71 1im9 n SER 57 Ca -0.12 -1.25 -0.03 0.00 1.01 0.00 0.00 58.87 58.47 1im9 n SER 57 Cb 0.62 -0.19 0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1im9 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1im9 h LYS 58 N 0.00 0.00 0.00 1.43 6.56 -2.03 -1.20 116.57 121.33 1im9 h LYS 58 Ca -0.09 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1im9 h LYS 58 Cb 0.31 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1im9 h LYS 58 CO 0.09 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.08 1im9 n ASP 59 N -5.35 0.00 0.00 0.86 5.68 -1.26 -4.86 116.55 111.63 1im9 n ASP 59 Ca 0.04 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 1im9 n ASP 59 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1im9 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1im9 n TRP 60 N -0.50 0.00 -2.79 2.11 7.02 -0.45 -5.02 117.44 117.80 1im9 n TRP 60 Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.08 1im9 n TRP 60 Cb 0.00 -0.10 -0.06 0.00 -2.42 0.00 0.00 31.31 28.73 1im9 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1im9 s SER 61 N -2.99 7.60 0.64 -0.99 1.04 -1.26 -4.70 113.70 113.04 1im9 s SER 61 Ca 0.00 1.89 -0.11 0.00 0.48 0.00 0.00 55.95 58.21 1im9 s SER 61 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1im9 s SER 61 CO 0.00 0.16 1.04 -0.36 0.98 0.00 0.00 173.24 175.06 1im9 s PHE 62 N -1.13 3.46 -0.05 5.02 0.08 -0.66 -0.55 117.98 124.15 1im9 s PHE 62 Ca 0.40 1.34 -0.13 0.00 0.12 0.00 0.00 56.93 58.66 1im9 s PHE 62 Cb -0.25 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.45 1im9 s PHE 62 CO 0.31 -0.86 0.29 1.52 -0.10 0.00 0.00 175.22 176.38 1im9 s TYR 63 N -3.13 -0.22 -0.01 0.36 1.13 -0.63 -0.92 117.35 113.93 1im9 s TYR 63 Ca 0.56 0.45 -0.14 0.00 -1.41 0.00 0.00 57.07 56.53 1im9 s TYR 63 Cb -0.12 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.85 1im9 s TYR 63 CO 0.54 -0.29 0.28 -0.51 -2.51 0.00 0.00 175.55 173.05 1im9 s LEU 64 N -0.76 0.98 -0.06 -3.49 1.43 -0.52 -3.64 118.68 112.62 1im9 s LEU 64 Ca -0.09 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1im9 s LEU 64 Cb -0.04 1.16 -0.03 0.00 0.03 0.00 0.00 46.19 47.31 1im9 s LEU 64 CO 0.03 -0.44 -0.12 -0.22 0.23 0.00 0.00 176.35 175.83 1im9 s LEU 65 N -1.34 2.85 -0.10 1.79 2.96 -1.26 -1.85 118.68 121.73 1im9 s LEU 65 Ca -0.14 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1im9 s LEU 65 Cb -0.06 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1im9 s LEU 65 CO 0.04 0.34 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.95 1im9 s TYR 66 N -0.69 1.86 0.04 5.38 1.51 -0.66 -0.43 117.35 124.37 1im9 s TYR 66 Ca 0.10 -0.85 -0.01 0.00 -1.01 0.00 0.00 57.07 55.30 1im9 s TYR 66 Cb -0.11 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1im9 s TYR 66 CO 0.01 -0.45 -0.02 1.52 -1.11 0.00 0.00 175.55 175.50 1im9 s TYR 67 N 0.98 0.46 -0.12 2.71 1.13 -0.66 -0.36 117.35 121.48 1im9 s TYR 67 Ca -0.07 -0.94 -0.18 0.00 -1.41 0.00 0.00 57.07 54.47 1im9 s TYR 67 Cb -0.15 -0.34 0.04 0.00 -1.10 0.00 0.00 41.96 40.41 1im9 s TYR 67 CO -0.01 -0.35 0.45 -0.08 -2.51 0.00 0.00 175.55 173.05 1im9 s THR 68 N -3.42 0.02 0.29 -3.49 -1.32 -0.93 -1.65 115.64 105.13 1im9 s THR 68 Ca 0.02 -0.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.08 1im9 s THR 68 Cb 0.04 -0.69 -0.10 0.00 -1.51 0.00 0.00 72.50 70.25 1im9 s THR 68 CO -0.08 -0.07 1.18 -0.70 -2.21 0.00 0.00 174.62 172.73 1im9 s GLU 69 N -0.36 4.54 0.20 7.08 -6.30 -1.26 -0.74 118.70 121.86 1im9 s GLU 69 Ca -0.05 1.95 -0.23 0.00 -2.50 0.00 0.00 54.97 54.14 1im9 s GLU 69 Cb -0.03 -3.15 0.06 0.00 0.00 0.00 0.00 34.13 31.00 1im9 s GLU 69 CO 0.03 0.06 0.91 -0.59 0.02 0.00 0.00 175.26 175.68 1im9 s PHE 70 N -1.07 -0.10 -0.14 5.30 -0.71 -1.05 -4.88 117.98 115.33 1im9 s PHE 70 Ca 0.47 -0.28 -0.02 0.00 -1.04 0.00 0.00 56.93 56.06 1im9 s PHE 70 Cb -0.35 0.68 0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1im9 s PHE 70 CO 0.45 -0.98 -0.01 0.99 -1.34 0.00 0.00 175.22 174.33 1im9 s THR 71 N -3.20 0.66 0.65 -4.49 2.01 -1.26 -1.30 115.64 108.71 1im9 s THR 71 Ca 0.13 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 1im9 s THR 71 Cb -0.03 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1im9 s THR 71 CO 0.04 0.07 1.27 -2.84 -0.69 0.00 0.00 174.62 172.47 1im9 s PRO 72 N 1.83 2.55 0.00 4.92 0.02 -1.26 -4.81 135.00 138.25 1im9 s PRO 72 Ca 0.02 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1im9 s PRO 72 Cb -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1im9 s PRO 72 CO -0.07 -1.58 0.00 0.25 -0.33 0.00 0.00 177.00 175.27 1im9 n THR 73 N -1.97 0.00 0.00 0.99 -2.24 -1.26 -1.62 114.28 108.18 1im9 n THR 73 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1im9 n THR 73 Cb 0.49 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1im9 n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1im9 n GLU 74 N 0.00 0.00 -0.03 -0.78 0.28 -1.26 -4.69 120.64 114.16 1im9 n GLU 74 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1im9 n GLU 74 Cb 0.00 -0.12 -0.15 0.00 1.43 0.00 0.00 31.44 32.60 1im9 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1im9 n LYS 75 N -0.73 0.70 -2.62 3.44 5.02 -1.26 -4.88 118.16 117.83 1im9 n LYS 75 Ca 0.00 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 1im9 n LYS 75 Cb 0.00 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1im9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1im9 s ASP 76 N -4.42 7.21 -0.25 4.39 1.01 -1.26 -5.01 116.67 118.33 1im9 s ASP 76 Ca -0.07 1.64 -0.01 0.00 0.71 0.00 0.00 52.55 54.82 1im9 s ASP 76 Cb 0.11 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.51 1im9 s ASP 76 CO 0.78 -0.46 -0.07 -1.61 0.21 0.00 0.00 175.17 174.02 1im9 s GLU 77 N 1.90 2.70 0.56 8.23 2.02 -1.26 -4.70 118.70 128.15 1im9 s GLU 77 Ca 0.51 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 54.48 1im9 s GLU 77 Cb -0.21 -2.98 0.06 0.00 0.10 0.00 0.00 34.13 31.11 1im9 s GLU 77 CO 0.21 -0.44 0.78 0.71 0.02 0.00 0.00 175.26 176.53 1im9 s TYR 78 N 1.28 2.32 0.12 1.61 1.51 -1.26 -1.90 117.35 121.03 1im9 s TYR 78 Ca -0.02 -0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 55.52 1im9 s TYR 78 Cb -0.17 -2.62 0.08 0.00 -0.11 0.00 0.00 41.96 39.14 1im9 s TYR 78 CO -0.05 -1.00 1.10 0.00 -1.11 0.00 0.00 175.55 174.50 1im9 s ALA 79 N -2.73 -1.83 -0.04 3.71 0.00 -0.75 -1.56 121.76 118.57 1im9 s ALA 79 Ca 0.59 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1im9 s ALA 79 Cb -0.08 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1im9 s ALA 79 CO 0.39 -1.08 -0.08 0.00 0.00 0.00 0.00 175.76 174.98 1im9 s ARG 81 N 0.47 2.89 0.11 0.00 3.52 0.17 -0.94 118.95 125.17 1im9 s ARG 81 Ca -0.08 -0.96 0.07 0.00 -0.13 0.00 0.00 55.73 54.64 1im9 s ARG 81 Cb -0.11 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1im9 s ARG 81 CO 0.01 -0.44 -0.10 0.08 -0.81 0.00 0.00 175.30 174.04 1im9 s VAL 82 N 1.39 3.37 -0.12 7.11 1.01 0.13 -1.35 120.40 131.93 1im9 s VAL 82 Ca 0.01 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 1im9 s VAL 82 Cb -0.17 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1im9 s VAL 82 CO -0.01 0.10 0.30 0.21 0.00 0.00 0.00 175.10 175.70 1im9 s ASN 83 N -2.25 -0.34 0.07 3.32 3.04 -0.26 -1.00 114.94 117.52 1im9 s ASN 83 Ca 0.22 0.64 -0.13 0.00 0.04 0.00 0.00 52.86 53.62 1im9 s ASN 83 Cb -0.11 0.56 0.02 0.00 -1.54 0.00 0.00 41.25 40.17 1im9 s ASN 83 CO 0.14 -0.15 0.29 -2.28 -3.04 0.00 0.00 177.10 172.05 1im9 s HIS 84 N 0.95 -0.05 0.66 0.43 2.46 -1.26 -1.13 115.29 117.34 1im9 s HIS 84 Ca -0.06 -0.19 0.42 0.00 0.47 0.00 0.00 55.06 55.70 1im9 s HIS 84 Cb -0.07 0.08 2.33 0.00 -0.13 0.00 0.00 32.58 34.79 1im9 s HIS 84 CO -0.07 -0.54 2.36 -0.39 -2.47 0.00 0.00 174.74 173.63 1im9 h VAL 85 N 2.97 0.10 0.00 0.89 -1.51 -1.95 0.12 116.25 116.88 1im9 h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1im9 h VAL 85 Cb 1.21 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1im9 h VAL 85 CO 0.49 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.18 1im9 n THR 86 N -3.22 0.15 -3.59 7.19 -2.24 -1.26 -4.79 114.28 106.51 1im9 n THR 86 Ca -0.03 0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 1im9 n THR 86 Cb 0.07 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 1im9 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1im9 s LEU 87 N -2.88 4.33 0.09 3.22 1.43 0.03 -4.97 118.68 119.93 1im9 s LEU 87 Ca 0.16 0.76 0.23 0.00 -1.03 0.00 0.00 54.13 54.26 1im9 s LEU 87 Cb 0.18 -3.03 0.18 0.00 0.03 0.00 0.00 46.19 43.55 1im9 s LEU 87 CO 0.47 0.15 1.16 -1.20 0.23 0.00 0.00 176.35 177.16 1im9 n SER 88 N 0.78 0.66 -3.59 2.29 7.64 -1.26 -4.85 113.62 115.29 1im9 n SER 88 Ca -0.07 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 1im9 n SER 88 Cb 0.52 0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 64.14 1im9 n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1im9 s GLN 89 N -3.20 0.67 0.22 1.43 -2.07 -1.26 -5.14 119.66 110.32 1im9 s GLN 89 Ca 0.04 0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 53.69 1im9 s GLN 89 Cb 0.14 0.32 -0.16 0.00 -1.09 0.00 0.00 33.01 32.22 1im9 s GLN 89 CO 0.76 -0.16 0.86 -2.30 -1.32 0.00 0.00 175.29 173.13 1im9 n PRO 90 N 1.43 0.75 -4.04 9.60 -0.02 -1.26 -4.93 135.00 136.53 1im9 n PRO 90 Ca -0.13 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 1im9 n PRO 90 Cb 0.57 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.43 1im9 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1im9 s LYS 91 N -1.05 3.66 -0.14 -0.52 2.20 -0.17 -4.94 119.74 118.79 1im9 s LYS 91 Ca 0.65 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 1im9 s LYS 91 Cb -0.84 -3.13 0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1im9 s LYS 91 CO 0.57 0.48 -0.22 0.42 -0.36 0.00 0.00 175.35 176.24 1im9 s ILE 92 N -0.20 2.08 -0.19 5.43 1.01 -1.26 -0.70 121.20 127.37 1im9 s ILE 92 Ca 0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1im9 s ILE 92 Cb -0.12 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1im9 s ILE 92 CO 0.01 0.55 -0.14 -0.69 0.00 0.00 0.00 174.94 174.67 1im9 s VAL 93 N 0.81 2.60 0.40 2.92 1.01 -0.12 -4.94 120.40 123.09 1im9 s VAL 93 Ca -0.07 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1im9 s VAL 93 Cb -0.16 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1im9 s VAL 93 CO -0.02 0.50 1.02 -0.54 0.00 0.00 0.00 175.10 176.06 1im9 s LYS 94 N 1.24 4.18 -0.23 2.72 1.02 -1.26 -0.31 119.74 127.10 1im9 s LYS 94 Ca 0.03 1.42 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 1im9 s LYS 94 Cb -0.14 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1im9 s LYS 94 CO -0.07 -0.11 1.32 -0.46 -0.92 0.00 0.00 175.35 175.11 1im9 s TRP 95 N -1.76 2.69 -0.45 3.18 -0.00 -0.60 -4.89 118.94 117.12 1im9 s TRP 95 Ca 0.59 0.89 -0.20 0.00 -0.00 0.00 0.00 56.10 57.37 1im9 s TRP 95 Cb -0.19 -3.74 0.03 0.00 -0.00 0.00 0.00 33.47 29.56 1im9 s TRP 95 CO 0.24 -1.86 0.62 0.34 -0.00 0.00 0.00 176.95 176.30 1im9 s ASP 96 N 2.57 6.30 0.00 5.86 -1.08 -1.26 -4.77 116.67 124.29 1im9 s ASP 96 Ca 0.57 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 1im9 s ASP 96 Cb -0.20 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1im9 s ASP 96 CO 0.20 -0.78 0.56 0.54 0.52 0.00 0.00 175.17 176.21 1im9 n ARG 97 N 6.20 0.00 -2.15 4.34 1.74 -1.26 -4.51 116.66 121.02 1im9 n ARG 97 Ca -0.03 0.14 -0.36 0.00 -0.77 0.00 0.00 57.85 56.83 1im9 n ARG 97 Cb 0.47 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 1im9 n ARG 97 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1im9 s ASP 98 N -1.95 5.45 0.00 0.55 1.47 -1.26 -5.07 116.67 115.87 1im9 s ASP 98 Ca 0.00 -0.15 0.03 0.00 1.18 0.00 0.00 52.55 53.61 1im9 s ASP 98 Cb 0.00 -2.54 0.02 0.00 -0.34 0.00 0.00 42.92 40.06 1im9 s ASP 98 CO 0.00 -2.33 0.59 0.23 0.68 0.00 0.00 175.17 174.34