#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 5.07 0.09 2.02 2.07 -1.26 -5.04 121.20 124.15 1im9 s ILE 1 Ca 0.00 1.11 0.03 0.00 -1.41 0.00 0.00 60.65 60.38 1im9 s ILE 1 Cb 0.00 -3.90 -0.04 0.00 0.13 0.00 0.00 42.46 38.65 1im9 s ILE 1 CO 0.00 0.18 0.08 -1.10 -1.91 0.00 0.00 174.94 172.19 1im9 s GLN 2 N 1.53 2.86 0.05 3.50 -0.21 -1.26 -4.85 119.66 121.29 1im9 s GLN 2 Ca 0.28 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.99 1im9 s GLN 2 Cb -0.16 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 1im9 s GLN 2 CO 0.11 0.55 -0.14 1.03 -2.12 0.00 0.00 175.29 174.72 1im9 s ARG 3 N -2.47 0.89 0.03 2.91 0.52 -0.52 -4.98 118.95 115.33 1im9 s ARG 3 Ca 0.29 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.55 1im9 s ARG 3 Cb -0.12 -0.90 -0.05 0.00 0.52 0.00 0.00 34.95 34.39 1im9 s ARG 3 CO 0.22 0.21 0.36 0.99 0.02 0.00 0.00 175.30 177.11 1im9 s THR 4 N -1.04 5.14 0.56 0.02 2.01 -1.26 -2.46 115.64 118.61 1im9 s THR 4 Ca 0.00 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 1im9 s THR 4 Cb -0.09 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1im9 s THR 4 CO 0.02 0.40 1.21 -2.16 -0.69 0.00 0.00 174.62 173.40 1im9 s PRO 5 N -1.61 3.19 -0.01 4.92 0.04 -1.26 -4.06 135.00 136.20 1im9 s PRO 5 Ca 0.28 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1im9 s PRO 5 Cb -0.14 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1im9 s PRO 5 CO 0.16 -1.04 0.03 0.15 0.04 0.00 0.00 177.00 176.34 1im9 s LYS 6 N -3.15 2.92 0.03 4.56 1.02 0.26 -4.92 119.74 120.45 1im9 s LYS 6 Ca 0.74 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 56.24 1im9 s LYS 6 Cb -0.30 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1im9 s LYS 6 CO 0.34 0.64 -0.15 0.42 -0.92 0.00 0.00 175.35 175.69 1im9 s ILE 7 N -1.11 1.18 -0.08 2.17 1.01 -1.26 -1.27 121.20 121.84 1im9 s ILE 7 Ca 0.20 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1im9 s ILE 7 Cb -0.12 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1im9 s ILE 7 CO 0.11 0.11 0.20 -1.10 0.00 0.00 0.00 174.94 174.26 1im9 s GLN 8 N -0.94 0.20 -0.09 2.79 -0.21 -0.72 -5.02 119.66 115.67 1im9 s GLN 8 Ca 0.03 0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.81 1im9 s GLN 8 Cb -0.07 0.00 0.01 0.00 1.00 0.00 0.00 33.01 33.94 1im9 s GLN 8 CO 0.01 -0.09 -0.19 0.08 -2.12 0.00 0.00 175.29 172.98 1im9 s VAL 9 N 0.60 1.73 0.19 1.09 1.01 -1.26 -1.12 120.40 122.63 1im9 s VAL 9 Ca -0.04 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1im9 s VAL 9 Cb -0.05 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.86 1im9 s VAL 9 CO -0.03 0.49 0.90 -0.72 0.00 0.00 0.00 175.10 175.74 1im9 s TYR 10 N 0.53 -0.14 0.28 5.22 1.13 -0.77 -4.58 117.35 119.02 1im9 s TYR 10 Ca -0.16 -0.21 0.02 0.00 -1.41 0.00 0.00 57.07 55.31 1im9 s TYR 10 Cb -0.17 0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 1im9 s TYR 10 CO 0.06 -0.93 0.45 -1.54 -2.51 0.00 0.00 175.55 171.07 1im9 s SER 11 N -2.94 6.33 0.00 -0.18 1.04 -1.26 0.22 113.70 116.91 1im9 s SER 11 Ca 0.12 0.32 -0.25 0.00 0.48 0.00 0.00 55.95 56.63 1im9 s SER 11 Cb -0.03 -1.97 -0.16 0.00 0.10 0.00 0.00 66.02 63.96 1im9 s SER 11 CO 0.04 -0.16 1.18 -0.09 0.98 0.00 0.00 173.24 175.18 1im9 h ARG 12 N 1.21 -0.46 -6.11 4.02 2.43 -1.58 -3.45 114.38 110.44 1im9 h ARG 12 Ca -0.50 0.03 -0.51 0.00 -0.81 0.00 0.00 59.98 58.19 1im9 h ARG 12 Cb 1.21 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1im9 h ARG 12 CO 0.63 -0.14 -0.38 -1.01 -1.51 0.00 0.00 179.97 177.55 1im9 s HIS 13 N -4.55 2.56 0.18 2.20 3.76 -1.26 -5.05 115.29 113.14 1im9 s HIS 13 Ca -0.14 -0.55 -0.32 0.00 -0.15 0.00 0.00 55.06 53.91 1im9 s HIS 13 Cb 0.02 -2.11 -0.11 0.00 1.11 0.00 0.00 32.58 31.48 1im9 s HIS 13 CO 0.51 -0.12 1.72 -2.14 -0.85 0.00 0.00 174.74 173.86 1im9 s PRO 14 N -4.12 4.14 0.22 8.40 0.02 -1.26 -4.89 135.00 137.52 1im9 s PRO 14 Ca 0.46 2.56 -0.32 0.00 0.02 0.00 0.00 61.00 63.72 1im9 s PRO 14 Cb -0.02 -3.23 -0.13 0.00 0.02 0.00 0.00 34.50 31.15 1im9 s PRO 14 CO 0.27 -0.75 1.62 0.00 -0.33 0.00 0.00 177.00 177.80 1im9 n ALA 15 N 4.45 2.20 -3.73 -1.55 0.00 -1.26 -5.00 120.51 115.62 1im9 n ALA 15 Ca 0.16 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.79 1im9 n ALA 15 Cb 0.37 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.21 1im9 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1im9 s GLU 16 N 0.46 0.40 0.14 0.00 2.12 -1.26 -5.12 118.70 115.44 1im9 s GLU 16 Ca 0.72 0.16 -0.31 0.00 0.36 0.00 0.00 54.97 55.90 1im9 s GLU 16 Cb -0.56 -0.77 -0.10 0.00 0.26 0.00 0.00 34.13 32.95 1im9 s GLU 16 CO 0.40 -0.27 1.79 -0.80 -0.54 0.00 0.00 175.26 175.84 1im9 s ASN 17 N 1.82 6.43 0.00 -1.70 0.01 -1.26 -1.92 114.94 118.33 1im9 s ASN 17 Ca 0.02 2.75 0.00 0.00 -0.71 0.00 0.00 52.86 54.92 1im9 s ASN 17 Cb -0.12 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1im9 s ASN 17 CO -0.04 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.18 1im9 n GLY 18 N 4.15 0.55 3.02 0.66 0.00 0.61 -4.96 105.19 109.23 1im9 n GLY 18 Ca 0.17 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.28 1.87 0.26 1.61 -0.14 -0.81 -5.02 119.74 116.23 1im9 s LYS 19 Ca 0.00 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 1im9 s LYS 19 Cb 0.00 -1.60 -0.14 0.00 -1.68 0.00 0.00 37.83 34.41 1im9 s LYS 19 CO 0.00 -0.04 1.15 0.45 -0.76 0.00 0.00 175.35 176.16 1im9 n SER 20 N 4.08 1.75 -1.05 2.83 2.88 -1.26 -4.22 113.62 118.62 1im9 n SER 20 Ca -0.20 1.17 -0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1im9 n SER 20 Cb 0.51 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 1.53 -0.06 -4.06 -3.46 2.85 -0.14 -5.01 115.26 106.92 1im9 n ASN 21 Ca 0.11 -1.05 -0.21 0.00 -0.11 0.00 0.00 54.58 53.32 1im9 n ASN 21 Cb 0.31 0.10 -0.15 0.00 1.24 0.00 0.00 39.78 41.28 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 -8.53 1.09 -0.26 1.20 0.40 -1.26 -1.47 117.98 109.14 1im9 s PHE 22 Ca 0.00 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.03 1im9 s PHE 22 Cb -0.00 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 1im9 s PHE 22 CO 0.00 -0.06 0.06 -1.17 0.70 0.00 0.00 175.22 174.76 1im9 s LEU 23 N -0.11 3.53 0.10 -0.37 2.96 -0.69 -1.27 118.68 122.84 1im9 s LEU 23 Ca 0.02 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1im9 s LEU 23 Cb -0.06 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1im9 s LEU 23 CO 0.00 -0.09 -0.06 0.20 -1.32 0.00 0.00 176.35 175.07 1im9 s ASN 24 N 1.55 4.62 -0.40 3.68 0.01 0.13 -2.27 114.94 122.26 1im9 s ASN 24 Ca 0.05 -0.32 0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1im9 s ASN 24 Cb -0.16 -0.96 0.13 0.00 0.41 0.00 0.00 41.25 40.67 1im9 s ASN 24 CO 0.02 0.17 0.20 0.00 -1.51 0.00 0.00 177.10 175.98 1im9 s TYR 26 N 0.68 3.33 -0.14 0.00 5.04 -0.28 -2.29 117.35 123.68 1im9 s TYR 26 Ca 0.16 1.43 0.02 0.00 -2.44 0.00 0.00 57.07 56.24 1im9 s TYR 26 Cb -0.23 -3.29 0.01 0.00 0.35 0.00 0.00 41.96 38.81 1im9 s TYR 26 CO -0.05 -0.64 -0.21 0.08 -1.34 0.00 0.00 175.55 173.39 1im9 s VAL 27 N 2.67 2.02 0.26 3.14 1.01 -0.58 -1.75 120.40 127.17 1im9 s VAL 27 Ca 0.48 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1im9 s VAL 27 Cb -0.18 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1im9 s VAL 27 CO 0.13 0.54 0.38 -0.94 0.00 0.00 0.00 175.10 175.22 1im9 s SER 28 N 0.91 0.28 0.00 3.32 1.04 -0.40 -0.98 113.70 117.87 1im9 s SER 28 Ca -0.05 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1im9 s SER 28 Cb -0.15 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1im9 s SER 28 CO -0.04 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1im9 n GLY 29 N -0.41 0.79 3.93 7.32 0.00 -0.59 0.90 105.19 117.14 1im9 n GLY 29 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.35 2.92 0.00 1.61 -0.71 -1.21 -4.26 117.98 112.99 1im9 s PHE 30 Ca 0.00 0.43 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 1im9 s PHE 30 Cb 0.00 -3.17 0.00 0.00 -1.21 0.00 0.00 43.02 38.64 1im9 s PHE 30 CO 0.00 -1.38 0.00 1.58 -1.34 0.00 0.00 175.22 174.08 1im9 n HIS 31 N -2.90 0.00 -0.43 3.49 -0.00 -1.03 -1.27 115.22 113.09 1im9 n HIS 31 Ca 0.08 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.97 1im9 n HIS 31 Cb 0.60 0.00 0.26 0.00 -0.12 0.00 0.00 29.99 30.73 1im9 n HIS 31 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1im9 n PRO 32 N -0.00 -3.06 0.15 1.57 -0.02 -1.26 -1.44 135.00 130.94 1im9 n PRO 32 Ca 0.00 -0.88 0.01 0.00 -2.02 0.00 0.00 63.50 60.61 1im9 n PRO 32 Cb 0.00 -1.99 0.32 0.00 -0.02 0.00 0.00 33.50 31.81 1im9 n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1im9 h SER 33 N -2.89 0.10 -2.90 2.55 4.64 -1.98 -3.44 113.55 109.63 1im9 h SER 33 Ca -0.55 -0.03 -0.56 0.00 -0.47 0.00 0.00 61.79 60.17 1im9 h SER 33 Cb 1.31 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 1im9 h SER 33 CO 0.40 0.45 0.99 -1.81 -0.87 0.00 0.00 176.83 176.00 1im9 s ASP 34 N -6.91 6.72 0.02 4.97 1.01 -1.26 -4.99 116.67 116.23 1im9 s ASP 34 Ca -0.04 1.63 -0.00 0.00 0.71 0.00 0.00 52.55 54.85 1im9 s ASP 34 Cb 0.14 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 1im9 s ASP 34 CO 0.74 -0.97 -0.03 -0.51 0.21 0.00 0.00 175.17 174.61 1im9 s ILE 35 N 4.16 0.12 -0.19 0.77 2.07 -1.26 -4.67 121.20 122.20 1im9 s ILE 35 Ca 0.61 -1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 58.82 1im9 s ILE 35 Cb -0.23 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1im9 s ILE 35 CO 0.22 -0.56 -0.12 -0.70 -1.91 0.00 0.00 174.94 171.87 1im9 s GLU 36 N -1.75 3.20 -0.14 3.50 2.12 -0.45 -5.00 118.70 120.18 1im9 s GLU 36 Ca -0.13 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.45 1im9 s GLU 36 Cb -0.08 -2.76 0.04 0.00 0.26 0.00 0.00 34.13 31.59 1im9 s GLU 36 CO -0.02 -0.15 0.00 0.08 -0.54 0.00 0.00 175.26 174.63 1im9 s VAL 37 N 1.25 0.61 -0.00 3.70 1.01 -1.26 -0.90 120.40 124.81 1im9 s VAL 37 Ca 0.03 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1im9 s VAL 37 Cb -0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1im9 s VAL 37 CO -0.06 0.05 -0.26 -1.81 0.00 0.00 0.00 175.10 173.02 1im9 s ASP 38 N 1.85 3.09 -0.08 3.32 1.01 -0.31 -4.99 116.67 120.55 1im9 s ASP 38 Ca 0.02 -0.50 -0.12 0.00 0.71 0.00 0.00 52.55 52.65 1im9 s ASP 38 Cb -0.15 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.41 1im9 s ASP 38 CO -0.07 0.30 0.30 -0.76 0.21 0.00 0.00 175.17 175.15 1im9 s LEU 39 N -0.79 4.38 -0.08 1.23 1.43 -1.26 -0.63 118.68 122.95 1im9 s LEU 39 Ca 0.11 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1im9 s LEU 39 Cb -0.10 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1im9 s LEU 39 CO -0.00 0.27 -0.16 -0.76 0.23 0.00 0.00 176.35 175.94 1im9 s LEU 40 N -0.57 2.60 -0.21 1.79 1.43 -0.35 -1.63 118.68 121.74 1im9 s LEU 40 Ca 0.19 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1im9 s LEU 40 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1im9 s LEU 40 CO 0.08 0.25 -0.01 -0.75 0.23 0.00 0.00 176.35 176.15 1im9 s LYS 41 N -0.19 3.55 -1.30 1.70 2.20 0.84 -1.40 119.74 125.13 1im9 s LYS 41 Ca -0.01 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 1im9 s LYS 41 Cb -0.13 -3.06 0.08 0.00 -1.51 0.00 0.00 37.83 33.21 1im9 s LYS 41 CO 0.03 -0.05 0.51 0.09 -0.36 0.00 0.00 175.35 175.57 1im9 n ASN 42 N 4.41 -3.51 0.00 1.43 5.03 -0.53 0.63 115.26 122.73 1im9 n ASN 42 Ca -0.17 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1im9 n ASN 42 Cb 0.52 -2.91 0.00 0.00 -1.02 0.00 0.00 39.78 36.36 1im9 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1im9 n GLY 43 N -1.17 0.84 3.40 7.41 0.00 -1.26 -5.03 105.19 109.39 1im9 n GLY 43 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1im9 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1im9 s GLU 44 N -0.12 3.35 0.42 1.61 2.12 0.21 -5.01 118.70 121.28 1im9 s GLU 44 Ca 0.00 -0.66 -0.24 0.00 0.36 0.00 0.00 54.97 54.43 1im9 s GLU 44 Cb 0.00 -2.65 -0.11 0.00 0.26 0.00 0.00 34.13 31.63 1im9 s GLU 44 CO 0.00 0.26 0.86 -2.13 -0.54 0.00 0.00 175.26 173.71 1im9 n ARG 45 N 3.41 1.07 -3.99 4.30 0.63 -1.26 -0.11 116.66 120.71 1im9 n ARG 45 Ca -0.18 0.39 -0.26 0.00 -0.92 0.00 0.00 57.85 56.88 1im9 n ARG 45 Cb 0.53 -1.87 -0.04 0.00 0.45 0.00 0.00 32.46 31.53 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 -1.33 5.06 0.00 5.15 1.01 -0.65 -4.77 121.20 125.67 1im9 s ILE 46 Ca 0.64 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1im9 s ILE 46 Cb -0.57 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1im9 s ILE 46 CO 0.57 -0.09 0.00 -0.62 0.00 0.00 0.00 174.94 174.79 1im9 n GLU 47 N -0.47 0.00 -2.09 2.79 -0.58 -1.26 -4.77 120.64 114.25 1im9 n GLU 47 Ca -0.07 0.18 -0.39 0.00 -0.42 0.00 0.00 57.16 56.46 1im9 n GLU 47 Cb 0.54 -0.66 -0.03 0.00 -0.57 0.00 0.00 31.44 30.73 1im9 n GLU 47 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1im9 s LYS 48 N -0.90 2.78 -0.19 3.49 2.47 -1.26 -4.90 119.74 121.23 1im9 s LYS 48 Ca 0.00 0.62 -0.05 0.00 -1.56 0.00 0.00 55.97 54.98 1im9 s LYS 48 Cb 0.00 -4.34 0.06 0.00 -1.46 0.00 0.00 37.83 32.10 1im9 s LYS 48 CO 0.00 -2.56 0.09 0.08 0.16 0.00 0.00 175.35 173.12 1im9 s VAL 49 N 8.45 0.02 0.63 4.02 1.01 -1.26 -4.75 120.40 128.51 1im9 s VAL 49 Ca 0.65 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1im9 s VAL 49 Cb -0.13 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1im9 s VAL 49 CO 0.22 -0.32 0.90 -1.61 0.00 0.00 0.00 175.10 174.29 1im9 s GLU 50 N 2.09 2.41 -0.23 2.72 2.02 -1.16 -4.92 118.70 121.62 1im9 s GLU 50 Ca 0.02 -0.46 -0.19 0.00 0.02 0.00 0.00 54.97 54.37 1im9 s GLU 50 Cb -0.16 -2.32 0.06 0.00 0.10 0.00 0.00 34.13 31.82 1im9 s GLU 50 CO -0.12 -0.96 0.61 -3.38 0.02 0.00 0.00 175.26 171.43 1im9 s HIS 51 N -3.01 -0.76 1.10 1.61 -3.43 -1.26 -2.31 115.29 107.22 1im9 s HIS 51 Ca 0.58 1.72 -0.20 0.00 -0.80 0.00 0.00 55.06 56.37 1im9 s HIS 51 Cb -0.11 0.33 0.06 0.00 -1.43 0.00 0.00 32.58 31.44 1im9 s HIS 51 CO 0.42 -0.38 -0.19 -1.13 -2.00 0.00 0.00 174.74 171.47 1im9 n SER 52 N 3.32 -2.48 -4.83 7.38 3.41 -0.12 -4.94 113.62 115.36 1im9 n SER 52 Ca -0.16 -0.08 -0.35 0.00 -0.26 0.00 0.00 58.87 58.01 1im9 n SER 52 Cb 0.56 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.73 6.93 -0.06 4.04 1.01 -1.26 -4.69 116.67 120.91 1im9 s ASP 53 Ca 0.53 1.28 -0.34 0.00 0.71 0.00 0.00 52.55 54.74 1im9 s ASP 53 Cb -0.09 -2.37 -0.12 0.00 1.01 0.00 0.00 42.92 41.35 1im9 s ASP 53 CO 0.66 0.01 1.86 -0.11 0.21 0.00 0.00 175.17 177.80 1im9 n LEU 54 N 0.53 3.48 -4.21 1.23 7.94 -1.26 -4.90 117.00 119.81 1im9 n LEU 54 Ca -0.02 0.98 -0.13 0.00 -1.11 0.00 0.00 56.01 55.73 1im9 n LEU 54 Cb 0.52 -1.39 -0.10 0.00 0.53 0.00 0.00 43.42 42.98 1im9 n LEU 54 CO 0.43 -0.05 -0.23 -0.55 -1.11 0.00 0.00 177.39 175.87 1im9 s SER 55 N 3.81 0.26 0.09 1.96 0.15 -1.25 -5.06 113.70 113.65 1im9 s SER 55 Ca 0.91 -1.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 1im9 s SER 55 Cb -0.67 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 1im9 s SER 55 CO 0.50 -0.85 0.12 0.72 1.20 0.00 0.00 173.24 174.92 1im9 s PHE 56 N -4.11 0.33 0.80 3.44 -0.12 -1.26 -2.26 117.98 114.80 1im9 s PHE 56 Ca 0.39 -0.79 -0.05 0.00 -0.05 0.00 0.00 56.93 56.43 1im9 s PHE 56 Cb 0.07 -0.19 0.16 0.00 -0.63 0.00 0.00 43.02 42.42 1im9 s PHE 56 CO 0.13 -0.51 1.10 -1.12 -0.05 0.00 0.00 175.22 174.77 1im9 s SER 57 N -2.90 3.92 0.39 1.98 0.01 -0.01 -4.90 113.70 112.19 1im9 s SER 57 Ca 0.08 -0.27 0.18 0.00 1.31 0.00 0.00 55.95 57.26 1im9 s SER 57 Cb 0.06 0.03 1.10 0.00 0.21 0.00 0.00 66.02 67.42 1im9 s SER 57 CO -0.09 -2.17 1.76 0.11 0.41 0.00 0.00 173.24 173.26 1im9 h LYS 58 N -0.87 0.38 -0.24 12.44 6.56 -2.03 0.17 116.57 132.98 1im9 h LYS 58 Ca -0.38 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1im9 h LYS 58 Cb 1.25 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1im9 h LYS 58 CO 0.38 0.25 0.00 -0.40 -2.06 0.00 0.00 179.45 177.62 1im9 n ASP 59 N -4.66 1.47 0.00 0.86 5.75 -1.26 -4.91 116.55 113.80 1im9 n ASP 59 Ca 0.26 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1im9 n ASP 59 Cb 0.90 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 1im9 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1im9 n TRP 60 N 0.27 0.00 -3.30 2.11 5.03 0.59 -5.03 117.44 117.11 1im9 n TRP 60 Ca 0.11 0.00 -0.36 0.00 3.03 0.00 0.00 57.50 60.28 1im9 n TRP 60 Cb 0.25 -0.01 -0.06 0.00 -1.03 0.00 0.00 31.31 30.47 1im9 n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1im9 s SER 61 N -2.13 6.93 0.63 -0.99 1.04 -1.26 -4.79 113.70 113.13 1im9 s SER 61 Ca 0.00 1.18 -0.08 0.00 0.48 0.00 0.00 55.95 57.52 1im9 s SER 61 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1im9 s SER 61 CO 0.00 0.15 0.97 -0.36 0.98 0.00 0.00 173.24 174.98 1im9 s PHE 62 N -1.36 3.32 -0.18 5.02 0.08 -0.39 -0.83 117.98 123.64 1im9 s PHE 62 Ca 0.35 0.84 -0.17 0.00 0.12 0.00 0.00 56.93 58.07 1im9 s PHE 62 Cb -0.17 -2.83 0.05 0.00 -0.57 0.00 0.00 43.02 39.51 1im9 s PHE 62 CO 0.19 -0.91 0.49 1.52 -0.10 0.00 0.00 175.22 176.42 1im9 s TYR 63 N -3.12 -0.54 -0.01 0.36 -0.85 -0.96 -1.54 117.35 110.70 1im9 s TYR 63 Ca 0.55 1.32 -0.04 0.00 -0.52 0.00 0.00 57.07 58.37 1im9 s TYR 63 Cb -0.11 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.42 1im9 s TYR 63 CO 0.48 -0.26 0.09 -0.51 -1.52 0.00 0.00 175.55 173.82 1im9 s LEU 64 N 0.24 1.73 -0.14 -3.49 1.43 -0.15 -3.75 118.68 114.54 1im9 s LEU 64 Ca -0.00 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1im9 s LEU 64 Cb -0.03 0.42 -0.02 0.00 0.03 0.00 0.00 46.19 46.59 1im9 s LEU 64 CO 0.01 -0.22 -0.10 -0.22 0.23 0.00 0.00 176.35 176.04 1im9 s LEU 65 N -0.83 2.85 -0.06 1.79 2.96 -1.26 -1.53 118.68 122.60 1im9 s LEU 65 Ca -0.09 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1im9 s LEU 65 Cb -0.05 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1im9 s LEU 65 CO 0.00 0.15 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.73 1im9 s TYR 66 N 0.43 2.69 0.36 5.38 1.51 -0.97 -0.94 117.35 125.81 1im9 s TYR 66 Ca -0.08 -0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1im9 s TYR 66 Cb -0.15 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1im9 s TYR 66 CO 0.04 0.10 0.51 1.52 -1.11 0.00 0.00 175.55 176.62 1im9 s TYR 67 N -0.53 1.06 0.00 2.71 1.13 -0.98 0.92 117.35 121.66 1im9 s TYR 67 Ca 0.07 -1.31 0.00 0.00 -1.41 0.00 0.00 57.07 54.42 1im9 s TYR 67 Cb -0.12 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.73 1im9 s TYR 67 CO 0.01 -1.21 0.00 -2.37 -2.51 0.00 0.00 175.55 169.48 1im9 n THR 68 N -0.59 0.00 -1.87 -3.49 5.66 -0.96 -2.99 114.28 110.03 1im9 n THR 68 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1im9 n THR 68 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1im9 n THR 68 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1im9 s GLU 69 N -0.60 3.99 0.27 1.09 2.12 -1.26 -1.70 118.70 122.62 1im9 s GLU 69 Ca 0.00 2.43 -0.20 0.00 0.36 0.00 0.00 54.97 57.55 1im9 s GLU 69 Cb 0.00 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.58 1im9 s GLU 69 CO 0.00 -0.57 0.85 -0.59 -0.54 0.00 0.00 175.26 174.41 1im9 s PHE 70 N -1.17 -0.03 -0.13 5.30 -0.71 -0.54 -4.89 117.98 115.80 1im9 s PHE 70 Ca 0.55 -0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 55.97 1im9 s PHE 70 Cb -0.44 0.74 0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1im9 s PHE 70 CO 0.58 -1.21 0.02 0.99 -1.34 0.00 0.00 175.22 174.26 1im9 s THR 71 N -2.97 0.43 0.62 -4.49 2.01 -1.26 -0.96 115.64 109.01 1im9 s THR 71 Ca 0.14 -0.20 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 1im9 s THR 71 Cb -0.04 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1im9 s THR 71 CO 0.07 0.03 1.32 -2.84 -0.69 0.00 0.00 174.62 172.51 1im9 s PRO 72 N 1.93 2.73 0.00 4.92 0.02 -1.26 -4.80 135.00 138.54 1im9 s PRO 72 Ca 0.02 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1im9 s PRO 72 Cb -0.15 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1im9 s PRO 72 CO -0.07 -1.48 0.00 0.25 -0.33 0.00 0.00 177.00 175.38 1im9 n THR 73 N -1.63 0.00 0.00 0.99 -2.24 -1.26 -0.28 114.28 109.86 1im9 n THR 73 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1im9 n THR 73 Cb 0.47 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1im9 n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1im9 n GLU 74 N -0.91 0.00 -0.02 -0.78 2.13 -1.26 -4.75 120.64 115.05 1im9 n GLU 74 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1im9 n GLU 74 Cb 0.13 -0.01 -0.14 0.00 0.27 0.00 0.00 31.44 31.69 1im9 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1im9 n LYS 75 N -0.16 0.73 -2.42 5.31 5.02 -1.26 -4.91 118.16 120.48 1im9 n LYS 75 Ca 0.00 0.28 -0.36 0.00 -2.02 0.00 0.00 58.31 56.20 1im9 n LYS 75 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 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 -6.99 6.46 -0.09 4.39 1.01 -1.26 -5.05 116.67 115.14 1im9 s ASP 76 Ca -0.24 2.14 0.01 0.00 0.71 0.00 0.00 52.55 55.16 1im9 s ASP 76 Cb 0.07 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.43 1im9 s ASP 76 CO 0.74 -0.71 -0.09 -1.83 0.21 0.00 0.00 175.17 173.49 1im9 s GLU 77 N -2.67 1.56 0.36 8.23 -1.05 -1.26 -4.73 118.70 119.14 1im9 s GLU 77 Ca 0.61 -0.31 0.07 0.00 -0.15 0.00 0.00 54.97 55.19 1im9 s GLU 77 Cb -0.24 -1.47 -0.01 0.00 -0.44 0.00 0.00 34.13 31.97 1im9 s GLU 77 CO 0.30 -0.14 0.45 0.71 0.95 0.00 0.00 175.26 177.53 1im9 s TYR 78 N 1.24 2.97 0.26 4.83 1.51 -1.26 -1.45 117.35 125.45 1im9 s TYR 78 Ca -0.04 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.56 1im9 s TYR 78 Cb -0.14 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.70 1im9 s TYR 78 CO -0.03 -0.08 0.78 0.00 -1.11 0.00 0.00 175.55 175.11 1im9 n ALA 79 N -1.63 -1.91 -3.46 3.71 0.00 -0.50 -1.73 120.51 114.99 1im9 n ALA 79 Ca 0.02 -1.01 -0.16 0.00 0.00 0.00 0.00 53.44 52.29 1im9 n ALA 79 Cb 0.59 0.71 -0.16 0.00 0.00 0.00 0.00 19.45 20.59 1im9 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1im9 s ARG 81 N 0.70 3.24 0.02 0.00 3.52 0.19 -0.52 118.95 126.11 1im9 s ARG 81 Ca -0.07 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 1im9 s ARG 81 Cb -0.10 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1im9 s ARG 81 CO -0.01 0.04 -0.12 0.14 -0.81 0.00 0.00 175.30 174.53 1im9 s VAL 82 N 0.77 0.94 0.04 7.11 -7.23 -0.38 -1.16 120.40 120.50 1im9 s VAL 82 Ca -0.06 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1im9 s VAL 82 Cb -0.15 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1im9 s VAL 82 CO 0.01 0.04 -0.10 0.21 -0.31 0.00 0.00 175.10 174.95 1im9 s ASN 83 N -0.87 1.19 0.32 4.85 3.04 -0.08 -0.92 114.94 122.48 1im9 s ASN 83 Ca 0.01 -0.50 -0.12 0.00 0.04 0.00 0.00 52.86 52.30 1im9 s ASN 83 Cb -0.07 -0.02 0.02 0.00 -1.54 0.00 0.00 41.25 39.64 1im9 s ASN 83 CO 0.01 -0.10 0.61 -2.28 -3.04 0.00 0.00 177.10 172.30 1im9 s HIS 84 N -1.11 0.42 -0.39 0.43 5.65 -1.26 -1.34 115.29 117.68 1im9 s HIS 84 Ca -0.04 -0.86 0.26 0.00 0.25 0.00 0.00 55.06 54.67 1im9 s HIS 84 Cb -0.09 0.38 0.80 0.00 -1.18 0.00 0.00 32.58 32.50 1im9 s HIS 84 CO 0.01 -1.25 1.76 -0.39 -0.65 0.00 0.00 174.74 174.21 1im9 h VAL 85 N 2.10 0.00 -0.01 0.89 -1.51 -1.95 -3.01 116.25 112.76 1im9 h VAL 85 Ca -0.28 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 1im9 h VAL 85 Cb 1.25 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.00 1im9 h VAL 85 CO 0.36 0.00 -0.02 0.35 -1.23 0.00 0.00 177.57 177.03 1im9 n THR 86 N -2.76 0.00 -3.99 7.19 -2.24 -1.26 -4.84 114.28 106.39 1im9 n THR 86 Ca 0.03 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 1im9 n THR 86 Cb 0.41 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.07 4.19 0.01 3.22 1.43 -1.14 -4.98 118.68 119.34 1im9 s LEU 87 Ca 0.40 0.34 0.24 0.00 -1.03 0.00 0.00 54.13 54.08 1im9 s LEU 87 Cb 0.21 -2.21 0.39 0.00 0.03 0.00 0.00 46.19 44.62 1im9 s LEU 87 CO 0.37 0.34 1.33 -1.54 0.23 0.00 0.00 176.35 177.09 1im9 n SER 88 N 1.60 0.57 -3.64 2.29 3.41 -1.26 -4.84 113.62 111.75 1im9 n SER 88 Ca -0.16 -0.29 -0.04 0.00 -0.26 0.00 0.00 58.87 58.12 1im9 n SER 88 Cb 0.54 0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.77 1im9 n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1im9 s GLN 89 N -3.03 0.38 0.18 4.33 -2.07 -1.26 -5.14 119.66 113.06 1im9 s GLN 89 Ca 0.10 0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 53.95 1im9 s GLN 89 Cb 0.17 0.11 -0.17 0.00 -1.09 0.00 0.00 33.01 32.02 1im9 s GLN 89 CO 0.72 -0.07 0.57 -0.35 -1.32 0.00 0.00 175.29 174.84 1im9 n PRO 90 N 3.28 0.00 -3.89 9.60 -0.04 -1.26 -4.92 135.00 137.77 1im9 n PRO 90 Ca -0.17 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.94 1im9 n PRO 90 Cb 0.57 -1.04 -0.10 0.00 -0.04 0.00 0.00 33.50 32.89 1im9 n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1im9 s LYS 91 N -0.91 3.95 -0.28 0.54 2.20 -0.10 -4.91 119.74 120.24 1im9 s LYS 91 Ca 0.66 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 1im9 s LYS 91 Cb -0.96 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.07 1im9 s LYS 91 CO 0.56 0.16 0.04 0.42 -0.36 0.00 0.00 175.35 176.17 1im9 s ILE 92 N 0.70 3.68 -0.21 5.43 1.01 -1.26 -1.25 121.20 129.30 1im9 s ILE 92 Ca 0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1im9 s ILE 92 Cb -0.13 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1im9 s ILE 92 CO 0.02 0.11 0.04 -0.69 0.00 0.00 0.00 174.94 174.42 1im9 s VAL 93 N 1.45 4.28 0.51 2.92 1.01 0.32 -4.92 120.40 125.97 1im9 s VAL 93 Ca 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1im9 s VAL 93 Cb -0.17 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 1im9 s VAL 93 CO 0.01 0.40 1.01 -0.54 0.00 0.00 0.00 175.10 175.98 1im9 s LYS 94 N 1.08 3.79 -0.79 2.72 1.02 -1.26 -0.96 119.74 125.34 1im9 s LYS 94 Ca 0.03 1.17 -0.26 0.00 0.02 0.00 0.00 55.97 56.93 1im9 s LYS 94 Cb -0.14 -2.10 0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1im9 s LYS 94 CO 0.03 -0.42 1.31 -0.46 -0.92 0.00 0.00 175.35 174.89 1im9 s TRP 95 N -2.31 2.34 -0.95 3.18 -0.00 -0.71 -4.81 118.94 115.67 1im9 s TRP 95 Ca 0.63 -0.22 -0.24 0.00 -0.00 0.00 0.00 56.10 56.27 1im9 s TRP 95 Cb -0.13 -4.64 -0.00 0.00 -0.00 0.00 0.00 33.47 28.70 1im9 s TRP 95 CO 0.26 -2.04 1.72 0.34 -0.00 0.00 0.00 176.95 177.23 1im9 s ASP 96 N 3.98 5.75 0.08 5.86 -1.08 -1.26 -4.81 116.67 125.19 1im9 s ASP 96 Ca 0.37 -1.01 -0.36 0.00 -0.52 0.00 0.00 52.55 51.03 1im9 s ASP 96 Cb -0.07 -2.56 -0.18 0.00 -1.46 0.00 0.00 42.92 38.65 1im9 s ASP 96 CO 0.10 -2.19 1.56 -0.09 0.52 0.00 0.00 175.17 175.07 1im9 h ARG 97 N 10.64 -1.00 -4.47 4.34 2.43 -1.94 -3.30 114.38 121.09 1im9 h ARG 97 Ca 0.14 0.07 -0.73 0.00 -0.81 0.00 0.00 59.98 58.65 1im9 h ARG 97 Cb 1.01 0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 30.65 1im9 h ARG 97 CO 1.31 -0.67 1.90 -0.25 -1.51 0.00 0.00 179.97 180.75 1im9 n ASP 98 N -5.54 4.99 -0.80 -3.80 9.92 -1.26 -5.01 116.55 115.05 1im9 n ASP 98 Ca -0.12 -2.99 0.13 0.00 -0.53 0.00 0.00 54.79 51.27 1im9 n ASP 98 Cb 0.47 -1.58 0.24 0.00 -0.64 0.00 0.00 41.12 39.61 1im9 n ASP 98 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13