#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gt9 n ILE 1 N 0.00 0.62 -4.08 1.12 5.41 -1.26 -5.02 119.36 116.14 2gt9 n ILE 1 Ca 0.00 -0.15 -0.16 0.00 1.00 0.00 0.00 62.75 63.43 2gt9 n ILE 1 Cb 0.00 -1.92 -0.15 0.00 -0.71 0.00 0.00 39.64 36.86 2gt9 n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gt9 s GLN 2 N 0.15 0.41 -0.04 0.38 -0.21 -1.26 -4.52 119.66 114.57 2gt9 s GLN 2 Ca 0.69 -0.10 0.03 0.00 0.02 0.00 0.00 55.36 56.00 2gt9 s GLN 2 Cb -0.52 -0.45 0.00 0.00 1.00 0.00 0.00 33.01 33.05 2gt9 s GLN 2 CO 0.42 0.02 -0.12 1.03 -2.12 0.00 0.00 175.29 174.52 2gt9 s ARG 3 N 0.29 1.37 0.22 2.91 0.52 0.38 -4.93 118.95 119.72 2gt9 s ARG 3 Ca -0.03 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 2gt9 s ARG 3 Cb -0.06 -1.21 -0.09 0.00 0.52 0.00 0.00 34.95 34.11 2gt9 s ARG 3 CO -0.00 0.14 1.00 0.99 0.02 0.00 0.00 175.30 177.44 2gt9 s THR 4 N 0.24 3.97 0.25 0.02 2.01 -1.26 -1.73 115.64 119.15 2gt9 s THR 4 Ca -0.06 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 63.54 2gt9 s THR 4 Cb -0.11 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.09 2gt9 s THR 4 CO 0.02 0.42 1.43 -2.16 -0.69 0.00 0.00 174.62 173.63 2gt9 s PRO 5 N -0.98 4.27 -0.26 4.92 0.04 -1.26 -4.18 135.00 137.54 2gt9 s PRO 5 Ca 0.44 2.30 -0.17 0.00 0.04 0.00 0.00 61.00 63.60 2gt9 s PRO 5 Cb -0.27 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2gt9 s PRO 5 CO 0.34 -0.41 0.48 0.15 0.04 0.00 0.00 177.00 177.60 2gt9 s LYS 6 N -0.47 4.05 -0.16 4.56 3.01 0.28 -4.91 119.74 126.09 2gt9 s LYS 6 Ca 0.59 0.25 -0.04 0.00 -1.01 0.00 0.00 55.97 55.76 2gt9 s LYS 6 Cb -0.42 -3.65 -0.02 0.00 -1.01 0.00 0.00 37.83 32.72 2gt9 s LYS 6 CO 0.44 -0.34 -0.04 0.42 0.51 0.00 0.00 175.35 176.34 2gt9 s ILE 7 N 2.25 3.79 -0.07 2.17 1.01 -1.26 -1.67 121.20 127.41 2gt9 s ILE 7 Ca 0.20 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2gt9 s ILE 7 Cb -0.16 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2gt9 s ILE 7 CO 0.09 0.48 -0.15 -1.10 0.00 0.00 0.00 174.94 174.26 2gt9 s GLN 8 N 0.51 1.96 -0.14 2.79 -0.21 -0.38 -5.00 119.66 119.19 2gt9 s GLN 8 Ca -0.04 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.82 2gt9 s GLN 8 Cb -0.14 -1.59 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2gt9 s GLN 8 CO 0.03 0.09 -0.18 0.08 -2.12 0.00 0.00 175.29 173.19 2gt9 s VAL 9 N 0.49 2.48 0.15 1.09 1.01 -1.26 -1.03 120.40 123.33 2gt9 s VAL 9 Ca -0.14 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2gt9 s VAL 9 Cb -0.15 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.26 2gt9 s VAL 9 CO 0.04 0.53 0.81 -0.72 0.00 0.00 0.00 175.10 175.76 2gt9 s TYR 10 N 0.75 -0.28 0.12 5.22 1.13 -0.51 -4.61 117.35 119.17 2gt9 s TYR 10 Ca -0.07 -0.00 0.01 0.00 -1.41 0.00 0.00 57.07 55.60 2gt9 s TYR 10 Cb -0.16 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2gt9 s TYR 10 CO 0.01 -0.87 0.27 -1.54 -2.51 0.00 0.00 175.55 170.91 2gt9 s SER 11 N -2.79 6.36 0.13 -0.18 1.04 -1.26 -0.29 113.70 116.71 2gt9 s SER 11 Ca 0.08 0.24 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 2gt9 s SER 11 Cb -0.02 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2gt9 s SER 11 CO -0.03 0.08 1.74 -0.09 0.98 0.00 0.00 173.24 175.93 2gt9 h ARG 12 N 2.48 0.45 -6.20 4.02 2.43 -1.42 -3.44 114.38 112.69 2gt9 h ARG 12 Ca -0.47 -0.05 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 2gt9 h ARG 12 Cb 1.18 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 2gt9 h ARG 12 CO 0.71 0.37 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.85 2gt9 s HIS 13 N -5.90 2.54 0.06 2.20 3.76 -1.26 -5.04 115.29 111.65 2gt9 s HIS 13 Ca -0.13 -0.27 -0.35 0.00 -0.15 0.00 0.00 55.06 54.16 2gt9 s HIS 13 Cb 0.09 -1.12 -0.14 0.00 1.11 0.00 0.00 32.58 32.52 2gt9 s HIS 13 CO 0.72 0.65 1.59 -2.30 -0.85 0.00 0.00 174.74 174.55 2gt9 n PRO 14 N -0.79 1.81 -2.44 8.40 -0.02 -1.26 -4.87 135.00 135.82 2gt9 n PRO 14 Ca -0.06 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 2gt9 n PRO 14 Cb 0.59 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2gt9 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gt9 s ALA 15 N 1.60 3.42 -0.04 3.55 0.00 -1.26 -5.04 121.76 123.99 2gt9 s ALA 15 Ca 0.84 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 53.73 2gt9 s ALA 15 Cb -0.79 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.02 2gt9 s ALA 15 CO 0.45 -0.22 0.02 -2.00 0.00 0.00 0.00 175.76 174.02 2gt9 s GLU 16 N -1.41 0.21 0.22 0.00 2.12 -1.26 -5.12 118.70 113.45 2gt9 s GLU 16 Ca 0.45 0.19 -0.32 0.00 0.36 0.00 0.00 54.97 55.65 2gt9 s GLU 16 Cb -0.33 -0.56 -0.12 0.00 0.26 0.00 0.00 34.13 33.39 2gt9 s GLU 16 CO 0.42 -0.23 1.69 0.09 -0.54 0.00 0.00 175.26 176.69 2gt9 n ASN 17 N 4.68 3.89 0.00 -1.70 3.02 -1.26 -2.15 115.26 121.74 2gt9 n ASN 17 Ca -0.16 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 2gt9 n ASN 17 Cb 0.50 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 2gt9 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gt9 n GLY 18 N 3.64 0.74 3.29 7.41 0.00 -0.24 -5.00 105.19 115.03 2gt9 n GLY 18 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2gt9 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gt9 s LYS 19 N -0.53 3.29 0.74 1.61 2.20 -0.91 -5.00 119.74 121.14 2gt9 s LYS 19 Ca 0.00 -0.70 -0.15 0.00 -0.36 0.00 0.00 55.97 54.76 2gt9 s LYS 19 Cb 0.00 -2.77 0.05 0.00 -1.51 0.00 0.00 37.83 33.60 2gt9 s LYS 19 CO 0.00 -0.04 1.23 -1.54 -0.36 0.00 0.00 175.35 174.64 2gt9 s SER 20 N 1.01 4.02 0.19 1.43 1.04 -1.26 -4.26 113.70 115.86 2gt9 s SER 20 Ca -0.01 2.43 -0.16 0.00 0.48 0.00 0.00 55.95 58.69 2gt9 s SER 20 Cb -0.15 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.43 2gt9 s SER 20 CO -0.02 -2.39 0.78 -3.20 0.98 0.00 0.00 173.24 169.40 2gt9 n ASN 21 N -2.78 -1.50 -4.22 7.02 2.85 0.19 -4.98 115.26 111.84 2gt9 n ASN 21 Ca 0.14 -1.86 -0.27 0.00 -0.11 0.00 0.00 54.58 52.48 2gt9 n ASN 21 Cb 0.50 2.45 -0.16 0.00 1.24 0.00 0.00 39.78 43.81 2gt9 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gt9 s PHE 22 N -3.04 1.88 -0.21 1.20 0.40 -1.26 -0.91 117.98 116.04 2gt9 s PHE 22 Ca 0.17 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.03 2gt9 s PHE 22 Cb -0.03 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 2gt9 s PHE 22 CO 0.06 -0.05 0.12 -1.17 0.70 0.00 0.00 175.22 174.88 2gt9 s LEU 23 N -0.45 4.04 -0.05 -0.37 2.96 -0.08 -0.94 118.68 123.81 2gt9 s LEU 23 Ca 0.07 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2gt9 s LEU 23 Cb -0.08 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2gt9 s LEU 23 CO -0.00 0.13 -0.22 0.20 -1.32 0.00 0.00 176.35 175.14 2gt9 s ASN 24 N 0.63 3.35 -0.24 3.68 0.01 0.61 -1.68 114.94 121.29 2gt9 s ASN 24 Ca 0.06 -0.41 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2gt9 s ASN 24 Cb -0.12 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.87 2gt9 s ASN 24 CO 0.01 0.29 -0.10 0.00 -1.51 0.00 0.00 177.10 175.79 2gt9 s TYR 26 N 1.22 3.19 -0.14 0.00 5.04 -0.20 -0.49 117.35 125.98 2gt9 s TYR 26 Ca -0.06 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 2gt9 s TYR 26 Cb -0.19 -2.28 -0.01 0.00 0.35 0.00 0.00 41.96 39.84 2gt9 s TYR 26 CO -0.06 -0.15 -0.15 0.14 -1.34 0.00 0.00 175.55 173.98 2gt9 s VAL 27 N 1.43 2.75 0.11 3.14 -7.23 -0.37 -1.25 120.40 118.97 2gt9 s VAL 27 Ca 0.06 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 2gt9 s VAL 27 Cb -0.15 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2gt9 s VAL 27 CO 0.06 0.52 0.03 -0.94 -0.31 0.00 0.00 175.10 174.46 2gt9 s SER 28 N 0.62 0.41 0.00 4.85 1.04 -0.67 -1.29 113.70 118.65 2gt9 s SER 28 Ca -0.08 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2gt9 s SER 28 Cb -0.16 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2gt9 s SER 28 CO 0.03 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2gt9 n GLY 29 N -0.05 0.67 3.94 7.32 0.00 -0.40 -0.56 105.19 116.12 2gt9 n GLY 29 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2gt9 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gt9 s PHE 30 N -2.30 3.48 -0.28 1.61 -0.71 -1.17 -4.24 117.98 114.37 2gt9 s PHE 30 Ca 0.00 0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 55.87 2gt9 s PHE 30 Cb 0.00 -1.73 0.10 0.00 -1.21 0.00 0.00 43.02 40.18 2gt9 s PHE 30 CO 0.00 0.42 0.82 -1.58 -1.34 0.00 0.00 175.22 173.54 2gt9 s HIS 31 N -1.89 -0.79 0.80 3.49 2.46 -0.70 -0.52 115.29 118.15 2gt9 s HIS 31 Ca 0.36 1.70 -0.14 0.00 0.47 0.00 0.00 55.06 57.45 2gt9 s HIS 31 Cb -0.10 0.44 0.19 0.00 -0.13 0.00 0.00 32.58 32.97 2gt9 s HIS 31 CO 0.29 -0.39 0.91 -0.35 -2.47 0.00 0.00 174.74 172.74 2gt9 n PRO 32 N 3.41 -1.67 0.18 2.88 -0.04 -1.26 -0.47 135.00 138.02 2gt9 n PRO 32 Ca -0.17 -1.42 0.13 0.00 -0.04 0.00 0.00 63.50 62.00 2gt9 n PRO 32 Cb 0.57 -1.10 0.39 0.00 -0.04 0.00 0.00 33.50 33.32 2gt9 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gt9 h SER 33 N -1.72 0.00 -2.67 3.54 4.64 -2.00 -3.45 113.55 111.89 2gt9 h SER 33 Ca -0.31 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.46 2gt9 h SER 33 Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2gt9 h SER 33 CO 0.21 0.00 1.06 -1.81 -0.87 0.00 0.00 176.83 175.42 2gt9 s ASP 34 N -5.24 6.70 -0.06 4.97 -0.00 -1.26 -4.97 116.67 116.80 2gt9 s ASP 34 Ca 0.07 2.11 -0.17 0.00 -0.00 0.00 0.00 52.55 54.56 2gt9 s ASP 34 Cb 0.09 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.51 2gt9 s ASP 34 CO 0.58 -0.92 0.39 -0.51 -0.00 0.00 0.00 175.17 174.71 2gt9 s ILE 35 N 4.03 0.03 -0.17 0.77 2.07 -1.26 -4.63 121.20 122.04 2gt9 s ILE 35 Ca 0.70 -0.28 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 2gt9 s ILE 35 Cb -0.31 -0.65 -0.00 0.00 0.13 0.00 0.00 42.46 41.62 2gt9 s ILE 35 CO 0.27 -0.15 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.41 2gt9 s GLU 36 N -0.87 3.27 -0.06 3.50 2.02 -0.38 -4.99 118.70 121.19 2gt9 s GLU 36 Ca -0.09 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 2gt9 s GLU 36 Cb -0.04 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.51 2gt9 s GLU 36 CO 0.04 -0.00 -0.03 0.08 0.02 0.00 0.00 175.26 175.36 2gt9 s VAL 37 N 0.89 0.55 0.02 2.63 1.01 -1.26 -1.03 120.40 123.22 2gt9 s VAL 37 Ca -0.03 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2gt9 s VAL 37 Cb -0.15 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2gt9 s VAL 37 CO -0.01 0.26 -0.15 -1.81 0.00 0.00 0.00 175.10 173.39 2gt9 s ASP 38 N 1.42 1.81 0.01 3.32 1.11 0.13 -4.98 116.67 119.49 2gt9 s ASP 38 Ca -0.03 -0.40 -0.18 0.00 0.18 0.00 0.00 52.55 52.12 2gt9 s ASP 38 Cb -0.13 -0.15 -0.06 0.00 1.07 0.00 0.00 42.92 43.65 2gt9 s ASP 38 CO -0.03 0.10 0.51 -0.76 1.18 0.00 0.00 175.17 176.17 2gt9 s LEU 39 N -0.87 4.46 -0.02 1.23 1.43 -1.26 -0.27 118.68 123.37 2gt9 s LEU 39 Ca 0.04 1.08 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 2gt9 s LEU 39 Cb -0.07 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2gt9 s LEU 39 CO 0.01 0.23 -0.19 -0.76 0.23 0.00 0.00 176.35 175.86 2gt9 s LEU 40 N -0.71 2.48 -0.18 1.79 1.43 0.11 -1.40 118.68 122.19 2gt9 s LEU 40 Ca 0.27 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2gt9 s LEU 40 Cb -0.18 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.60 2gt9 s LEU 40 CO 0.16 0.32 -0.17 -0.75 0.23 0.00 0.00 176.35 176.13 2gt9 s LYS 41 N -0.84 2.70 -1.65 1.70 2.20 0.69 -1.62 119.74 122.92 2gt9 s LYS 41 Ca 0.12 -0.83 -0.15 0.00 -0.36 0.00 0.00 55.97 54.75 2gt9 s LYS 41 Cb -0.10 -2.50 0.13 0.00 -1.51 0.00 0.00 37.83 33.85 2gt9 s LYS 41 CO 0.01 -0.27 0.72 0.09 -0.36 0.00 0.00 175.35 175.54 2gt9 n ASN 42 N 4.64 -2.79 0.00 1.43 3.02 0.11 -1.19 115.26 120.49 2gt9 n ASN 42 Ca -0.19 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2gt9 n ASN 42 Cb 0.49 -2.79 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 2gt9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gt9 n GLY 43 N -1.52 1.80 3.77 7.41 0.00 -1.26 -5.05 105.19 110.33 2gt9 n GLY 43 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2gt9 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gt9 s GLU 44 N -0.48 3.02 0.15 1.61 2.02 -0.33 -4.99 118.70 119.70 2gt9 s GLU 44 Ca 0.00 -0.50 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 2gt9 s GLU 44 Cb 0.00 -2.83 -0.10 0.00 0.10 0.00 0.00 34.13 31.30 2gt9 s GLU 44 CO 0.00 0.64 1.68 0.50 0.02 0.00 0.00 175.26 178.11 2gt9 s ARG 45 N -1.70 4.17 -0.01 1.61 3.52 -1.26 -0.22 118.95 125.06 2gt9 s ARG 45 Ca 0.22 2.48 -0.26 0.00 -0.13 0.00 0.00 55.73 58.04 2gt9 s ARG 45 Cb -0.12 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 2gt9 s ARG 45 CO 0.13 -0.72 0.82 0.42 -0.81 0.00 0.00 175.30 175.14 2gt9 s ILE 46 N 1.75 4.88 0.01 4.11 1.01 -0.50 -4.86 121.20 127.60 2gt9 s ILE 46 Ca 0.74 1.73 0.11 0.00 0.00 0.00 0.00 60.65 63.23 2gt9 s ILE 46 Cb -0.45 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.70 2gt9 s ILE 46 CO 0.33 0.25 1.17 -0.33 0.00 0.00 0.00 174.94 176.36 2gt9 h GLU 47 N 6.43 0.00 -2.01 2.79 5.08 -1.94 -3.40 114.58 121.53 2gt9 h GLU 47 Ca -0.42 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.69 2gt9 h GLU 47 Cb 1.21 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 2gt9 h GLU 47 CO 0.74 0.74 -0.19 1.17 -1.00 0.00 0.00 179.01 180.47 2gt9 n LYS 48 N -3.23 2.10 -4.34 2.33 4.81 -1.26 -4.93 118.16 113.64 2gt9 n LYS 48 Ca -0.03 -1.27 -0.34 0.00 -0.87 0.00 0.00 58.31 55.80 2gt9 n LYS 48 Cb 0.91 -2.04 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 2gt9 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2gt9 s VAL 49 N 0.39 3.19 0.35 3.15 1.01 -1.26 -4.62 120.40 122.61 2gt9 s VAL 49 Ca 0.65 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2gt9 s VAL 49 Cb 0.33 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2gt9 s VAL 49 CO -0.04 0.48 0.36 -1.61 0.00 0.00 0.00 175.10 174.29 2gt9 s GLU 50 N 0.87 2.78 0.06 2.72 2.02 -0.54 -4.91 118.70 121.71 2gt9 s GLU 50 Ca -0.02 -1.27 -0.06 0.00 0.02 0.00 0.00 54.97 53.64 2gt9 s GLU 50 Cb -0.15 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2gt9 s GLU 50 CO 0.00 0.02 0.10 -3.38 0.02 0.00 0.00 175.26 172.02 2gt9 s HIS 51 N -2.31 0.25 0.90 1.61 -3.43 -1.26 -1.07 115.29 109.99 2gt9 s HIS 51 Ca 0.44 -0.65 -0.12 0.00 -0.80 0.00 0.00 55.06 53.93 2gt9 s HIS 51 Cb -0.06 -0.17 0.13 0.00 -1.43 0.00 0.00 32.58 31.04 2gt9 s HIS 51 CO 0.28 -0.43 1.10 -1.54 -2.00 0.00 0.00 174.74 172.16 2gt9 s SER 52 N -2.54 3.57 0.21 7.38 1.04 -0.37 -5.00 113.70 118.01 2gt9 s SER 52 Ca 0.01 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 2gt9 s SER 52 Cb 0.03 -1.91 -0.08 0.00 0.10 0.00 0.00 66.02 64.15 2gt9 s SER 52 CO -0.08 -2.54 0.95 -1.81 0.98 0.00 0.00 173.24 170.74 2gt9 s ASP 53 N -3.71 7.61 0.16 7.02 -0.00 -1.26 -4.75 116.67 121.74 2gt9 s ASP 53 Ca 0.63 1.93 -0.33 0.00 -0.00 0.00 0.00 52.55 54.78 2gt9 s ASP 53 Cb -0.16 -2.61 -0.13 0.00 -0.00 0.00 0.00 42.92 40.03 2gt9 s ASP 53 CO 0.55 0.10 1.69 -0.11 -0.00 0.00 0.00 175.17 177.41 2gt9 n LEU 54 N 1.75 3.61 -4.19 1.23 7.94 -1.26 -4.93 117.00 121.15 2gt9 n LEU 54 Ca -0.01 1.05 -0.16 0.00 -1.11 0.00 0.00 56.01 55.78 2gt9 n LEU 54 Cb 0.47 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 42.85 2gt9 n LEU 54 CO 0.50 -0.02 -0.03 -0.55 -1.11 0.00 0.00 177.39 176.19 2gt9 s SER 55 N 1.45 1.11 0.12 1.96 0.15 -1.22 -5.04 113.70 112.24 2gt9 s SER 55 Ca 0.79 -1.57 -0.10 0.00 0.70 0.00 0.00 55.95 55.76 2gt9 s SER 55 Cb -0.58 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2gt9 s SER 55 CO 0.36 -1.12 0.27 0.72 1.20 0.00 0.00 173.24 174.67 2gt9 s PHE 56 N -3.43 0.17 0.78 3.44 -0.12 -1.26 -1.61 117.98 115.95 2gt9 s PHE 56 Ca 0.36 -0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 56.65 2gt9 s PHE 56 Cb 0.02 0.01 0.16 0.00 -0.63 0.00 0.00 43.02 42.57 2gt9 s PHE 56 CO 0.22 -0.64 1.07 -1.12 -0.05 0.00 0.00 175.22 174.70 2gt9 s SER 57 N -2.89 4.00 0.59 1.98 0.01 0.53 -4.93 113.70 112.98 2gt9 s SER 57 Ca 0.09 -0.43 0.29 0.00 1.31 0.00 0.00 55.95 57.22 2gt9 s SER 57 Cb 0.04 0.20 1.76 0.00 0.21 0.00 0.00 66.02 68.23 2gt9 s SER 57 CO -0.07 -2.12 2.21 0.11 0.41 0.00 0.00 173.24 173.78 2gt9 h LYS 58 N -0.76 0.00 -0.61 12.44 1.57 -2.03 -0.45 116.57 126.73 2gt9 h LYS 58 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2gt9 h LYS 58 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2gt9 h LYS 58 CO 0.36 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.84 2gt9 n ASP 59 N -3.85 3.30 0.00 0.86 5.75 -1.26 -4.92 116.55 116.43 2gt9 n ASP 59 Ca -0.02 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 2gt9 n ASP 59 Cb 0.15 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2gt9 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2gt9 n TRP 60 N 1.23 0.00 -2.64 2.11 7.02 -0.18 -5.02 117.44 119.96 2gt9 n TRP 60 Ca 0.20 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.34 2gt9 n TRP 60 Cb 0.53 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.38 2gt9 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gt9 s SER 61 N -3.47 6.55 0.44 -0.99 1.04 -1.26 -4.61 113.70 111.40 2gt9 s SER 61 Ca 0.00 1.86 -0.05 0.00 0.48 0.00 0.00 55.95 58.24 2gt9 s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2gt9 s SER 61 CO 0.00 -0.63 0.73 -0.36 0.98 0.00 0.00 173.24 173.96 2gt9 s PHE 62 N -2.03 3.54 0.02 5.02 0.08 0.32 -0.35 117.98 124.58 2gt9 s PHE 62 Ca 0.65 0.76 -0.05 0.00 0.12 0.00 0.00 56.93 58.41 2gt9 s PHE 62 Cb -0.14 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2gt9 s PHE 62 CO 0.18 -0.17 0.09 1.52 -0.10 0.00 0.00 175.22 176.74 2gt9 s TYR 63 N -2.60 0.13 -0.03 0.36 -0.85 -0.63 -1.28 117.35 112.44 2gt9 s TYR 63 Ca 0.46 -0.31 -0.11 0.00 -0.52 0.00 0.00 57.07 56.59 2gt9 s TYR 63 Cb -0.10 -0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.15 2gt9 s TYR 63 CO 0.41 -0.29 0.25 -0.51 -1.52 0.00 0.00 175.55 173.89 2gt9 s LEU 64 N -1.61 1.07 -0.14 -3.49 1.43 -0.41 -3.40 118.68 112.14 2gt9 s LEU 64 Ca -0.12 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2gt9 s LEU 64 Cb -0.06 1.02 -0.00 0.00 0.03 0.00 0.00 46.19 47.17 2gt9 s LEU 64 CO -0.01 -0.33 -0.17 -0.22 0.23 0.00 0.00 176.35 175.85 2gt9 s LEU 65 N -0.94 2.43 -0.06 1.79 2.96 -1.26 -1.24 118.68 122.37 2gt9 s LEU 65 Ca -0.10 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2gt9 s LEU 65 Cb -0.05 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2gt9 s LEU 65 CO 0.02 0.12 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.81 2gt9 s TYR 66 N 0.60 2.97 -0.01 5.38 2.02 0.36 -1.23 117.35 127.44 2gt9 s TYR 66 Ca -0.10 0.05 -0.26 0.00 -0.37 0.00 0.00 57.07 56.39 2gt9 s TYR 66 Cb -0.16 -1.71 0.06 0.00 -0.40 0.00 0.00 41.96 39.75 2gt9 s TYR 66 CO 0.03 0.37 0.57 1.52 -1.57 0.00 0.00 175.55 176.46 2gt9 s TYR 67 N -0.86 -0.51 -0.01 2.71 -0.85 -0.23 -0.50 117.35 117.10 2gt9 s TYR 67 Ca 0.14 0.78 -0.14 0.00 -0.52 0.00 0.00 57.07 57.32 2gt9 s TYR 67 Cb -0.11 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.59 2gt9 s TYR 67 CO 0.03 -0.58 0.30 -0.08 -1.52 0.00 0.00 175.55 173.69 2gt9 s THR 68 N -1.59 0.06 0.28 -3.49 -1.32 -0.68 -1.46 115.64 107.44 2gt9 s THR 68 Ca -0.10 -0.49 -0.29 0.00 -1.21 0.00 0.00 61.69 59.59 2gt9 s THR 68 Cb -0.01 -0.60 -0.10 0.00 -1.51 0.00 0.00 72.50 70.28 2gt9 s THR 68 CO 0.05 -0.27 1.15 -0.70 -2.21 0.00 0.00 174.62 172.65 2gt9 s GLU 69 N -1.35 4.56 0.18 7.08 2.12 -1.26 -0.90 118.70 129.13 2gt9 s GLU 69 Ca -0.14 1.90 -0.11 0.00 0.36 0.00 0.00 54.97 56.98 2gt9 s GLU 69 Cb -0.05 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2gt9 s GLU 69 CO 0.04 0.09 0.36 -0.59 -0.54 0.00 0.00 175.26 174.62 2gt9 s PHE 70 N -1.03 0.27 -0.28 5.30 -0.71 -0.09 -4.86 117.98 116.59 2gt9 s PHE 70 Ca 0.46 -0.63 0.01 0.00 -1.04 0.00 0.00 56.93 55.74 2gt9 s PHE 70 Cb -0.34 0.07 0.08 0.00 -1.21 0.00 0.00 43.02 41.62 2gt9 s PHE 70 CO 0.43 -0.79 0.01 0.99 -1.34 0.00 0.00 175.22 174.52 2gt9 s THR 71 N -3.95 1.51 0.60 -4.49 2.01 -1.26 -0.64 115.64 109.43 2gt9 s THR 71 Ca 0.16 -1.51 -0.19 0.00 0.31 0.00 0.00 61.69 60.46 2gt9 s THR 71 Cb 0.02 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2gt9 s THR 71 CO -0.00 -0.36 1.24 -2.16 -0.69 0.00 0.00 174.62 172.64 2gt9 s PRO 72 N 1.35 2.87 0.35 4.92 0.04 -1.26 -4.76 135.00 138.51 2gt9 s PRO 72 Ca 0.02 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.01 2gt9 s PRO 72 Cb -0.18 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2gt9 s PRO 72 CO -0.11 -1.30 0.16 0.95 0.04 0.00 0.00 177.00 176.73 2gt9 s THR 73 N -1.52 0.44 0.13 1.26 -4.23 -1.26 -1.08 115.64 109.38 2gt9 s THR 73 Ca 0.78 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.12 2gt9 s THR 73 Cb -0.33 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 2gt9 s THR 73 CO 0.36 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.06 2gt9 h GLU 74 N 2.05 0.50 0.00 3.99 4.57 -1.98 -3.35 114.58 120.37 2gt9 h GLU 74 Ca -0.34 -0.07 -0.19 0.00 -1.18 0.00 0.00 59.36 57.58 2gt9 h GLU 74 Cb 1.26 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 2gt9 h GLU 74 CO 0.53 0.45 -1.33 1.57 -1.18 0.00 0.00 179.01 179.05 2gt9 h LYS 75 N 0.43 0.00 -6.61 1.92 2.10 -2.02 -3.47 116.57 108.91 2gt9 h LYS 75 Ca 0.12 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.26 2gt9 h LYS 75 Cb 0.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 2gt9 h LYS 75 CO -0.02 0.42 0.40 -0.51 -2.00 0.00 0.00 179.45 177.75 2gt9 s ASP 76 N -6.02 7.43 -0.13 7.07 1.01 -1.26 -5.02 116.67 119.74 2gt9 s ASP 76 Ca -0.02 1.91 -0.02 0.00 0.71 0.00 0.00 52.55 55.14 2gt9 s ASP 76 Cb 0.08 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2gt9 s ASP 76 CO 0.81 -0.10 -0.08 -1.61 0.21 0.00 0.00 175.17 174.39 2gt9 s GLU 77 N -0.23 3.42 0.13 8.23 2.02 -1.26 -4.75 118.70 126.26 2gt9 s GLU 77 Ca 0.47 -0.60 0.11 0.00 0.02 0.00 0.00 54.97 54.98 2gt9 s GLU 77 Cb -0.26 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2gt9 s GLU 77 CO 0.32 0.29 -0.27 0.71 0.02 0.00 0.00 175.26 176.33 2gt9 s TYR 78 N 0.19 2.32 0.26 1.61 2.02 -1.26 0.09 117.35 122.58 2gt9 s TYR 78 Ca -0.05 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.10 2gt9 s TYR 78 Cb -0.14 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2gt9 s TYR 78 CO 0.04 0.34 0.60 0.00 -1.57 0.00 0.00 175.55 174.97 2gt9 s ALA 79 N -1.06 -0.83 -0.05 3.71 0.00 -0.64 -0.61 121.76 122.27 2gt9 s ALA 79 Ca 0.14 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2gt9 s ALA 79 Cb -0.10 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.95 2gt9 s ALA 79 CO 0.06 -0.94 -0.17 0.00 0.00 0.00 0.00 175.76 174.72 2gt9 s ARG 81 N 0.19 3.40 -0.06 0.00 3.52 0.63 -1.38 118.95 125.24 2gt9 s ARG 81 Ca -0.07 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.89 2gt9 s ARG 81 Cb -0.13 -2.73 0.01 0.00 -1.56 0.00 0.00 34.95 30.54 2gt9 s ARG 81 CO 0.03 0.12 -0.14 0.08 -0.81 0.00 0.00 175.30 174.58 2gt9 s VAL 82 N 0.62 1.23 0.12 7.11 1.01 0.01 -0.70 120.40 129.81 2gt9 s VAL 82 Ca -0.06 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.48 2gt9 s VAL 82 Cb -0.15 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2gt9 s VAL 82 CO 0.03 0.37 -0.27 0.21 0.00 0.00 0.00 175.10 175.44 2gt9 s ASN 83 N 0.55 3.29 -0.10 3.32 2.47 -0.20 -0.90 114.94 123.38 2gt9 s ASN 83 Ca -0.13 -0.74 -0.30 0.00 0.42 0.00 0.00 52.86 52.11 2gt9 s ASN 83 Cb -0.15 -0.22 0.12 0.00 -1.45 0.00 0.00 41.25 39.54 2gt9 s ASN 83 CO 0.04 0.18 0.97 -2.28 -3.72 0.00 0.00 177.10 172.29 2gt9 s HIS 84 N -1.05 -0.34 0.57 0.43 5.65 -1.26 -1.25 115.29 118.04 2gt9 s HIS 84 Ca 0.14 0.41 0.25 0.00 0.25 0.00 0.00 55.06 56.11 2gt9 s HIS 84 Cb -0.10 0.49 1.59 0.00 -1.18 0.00 0.00 32.58 33.39 2gt9 s HIS 84 CO 0.06 -0.42 2.16 -0.24 -0.65 0.00 0.00 174.74 175.65 2gt9 h VAL 85 N 2.28 0.65 0.00 0.89 3.04 -1.95 -1.83 116.25 119.34 2gt9 h VAL 85 Ca -0.19 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2gt9 h VAL 85 Cb 1.20 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2gt9 h VAL 85 CO 0.30 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.21 2gt9 n THR 86 N -4.06 0.69 -3.99 3.17 -2.24 -1.26 -4.75 114.28 101.84 2gt9 n THR 86 Ca -0.01 0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 2gt9 n THR 86 Cb 0.20 -0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 67.44 2gt9 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gt9 s LEU 87 N -4.23 3.62 0.36 3.22 1.43 -0.69 -4.98 118.68 117.42 2gt9 s LEU 87 Ca 0.08 -0.04 0.25 0.00 -1.03 0.00 0.00 54.13 53.39 2gt9 s LEU 87 Cb 0.11 -1.93 0.61 0.00 0.03 0.00 0.00 46.19 45.01 2gt9 s LEU 87 CO 0.46 0.11 1.70 0.77 0.23 0.00 0.00 176.35 179.62 2gt9 h SER 88 N 7.17 0.00 -5.10 2.29 4.64 -1.85 -3.43 113.55 117.28 2gt9 h SER 88 Ca -0.36 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.81 2gt9 h SER 88 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 2gt9 h SER 88 CO 0.65 0.00 -0.68 0.00 -0.87 0.00 0.00 176.83 175.93 2gt9 s GLN 89 N -3.22 0.67 0.47 4.77 0.00 -1.26 -5.13 119.66 115.96 2gt9 s GLN 89 Ca 0.08 -1.25 -0.23 0.00 -0.00 0.00 0.00 55.36 53.95 2gt9 s GLN 89 Cb 0.08 0.11 -0.09 0.00 0.00 0.00 0.00 33.01 33.12 2gt9 s GLN 89 CO 0.62 -0.09 1.12 -2.30 0.00 0.00 0.00 175.29 174.64 2gt9 n PRO 90 N 0.07 1.49 -4.50 9.60 -0.02 -1.26 -4.92 135.00 135.47 2gt9 n PRO 90 Ca -0.13 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 2gt9 n PRO 90 Cb 0.61 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 2gt9 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gt9 s LYS 91 N -2.30 3.30 -0.21 -0.52 2.20 -0.08 -4.93 119.74 117.21 2gt9 s LYS 91 Ca 0.66 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 55.51 2gt9 s LYS 91 Cb -0.50 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2gt9 s LYS 91 CO 0.55 0.05 -0.01 0.42 -0.36 0.00 0.00 175.35 175.99 2gt9 s ILE 92 N 0.77 3.80 -0.21 5.43 1.01 -1.26 -0.81 121.20 129.94 2gt9 s ILE 92 Ca -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 2gt9 s ILE 92 Cb -0.15 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2gt9 s ILE 92 CO 0.01 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.63 2gt9 s VAL 93 N 1.17 3.36 0.30 2.92 1.01 -0.48 -4.97 120.40 123.71 2gt9 s VAL 93 Ca 0.03 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 2gt9 s VAL 93 Cb -0.14 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 2gt9 s VAL 93 CO 0.01 0.44 0.85 -0.54 0.00 0.00 0.00 175.10 175.86 2gt9 s LYS 94 N 1.29 4.39 -0.02 2.72 1.02 -1.26 -1.13 119.74 126.75 2gt9 s LYS 94 Ca 0.04 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 2gt9 s LYS 94 Cb -0.14 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 2gt9 s LYS 94 CO -0.02 0.28 1.52 -0.46 -0.92 0.00 0.00 175.35 175.75 2gt9 s TRP 95 N -1.66 2.48 -0.32 3.18 -0.00 0.22 -4.87 118.94 117.98 2gt9 s TRP 95 Ca 0.49 0.54 0.01 0.00 -0.00 0.00 0.00 56.10 57.14 2gt9 s TRP 95 Cb -0.16 -3.78 0.08 0.00 -0.00 0.00 0.00 33.47 29.60 2gt9 s TRP 95 CO 0.21 -3.09 0.02 0.34 -0.00 0.00 0.00 176.95 174.43 2gt9 s ASP 96 N 2.48 4.80 0.00 5.86 -1.08 -1.26 -4.78 116.67 122.69 2gt9 s ASP 96 Ca 0.68 -1.69 0.27 0.00 -0.52 0.00 0.00 52.55 51.29 2gt9 s ASP 96 Cb -0.32 -1.66 1.37 0.00 -1.46 0.00 0.00 42.92 40.84 2gt9 s ASP 96 CO 0.27 -0.32 1.92 -2.11 0.52 0.00 0.00 175.17 175.45 2gt9 n ARG 97 N 4.46 0.40 -0.79 4.34 1.85 -1.26 -3.62 116.66 122.04 2gt9 n ARG 97 Ca -0.07 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2gt9 n ARG 97 Cb 0.42 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.62 2gt9 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gt9 n ASP 98 N -1.27 4.25 0.00 2.89 10.43 -1.26 -4.92 116.55 126.67 2gt9 n ASP 98 Ca 0.13 -3.22 0.13 0.00 2.57 0.00 0.00 54.79 54.40 2gt9 n ASP 98 Cb 0.21 -0.66 0.78 0.00 1.84 0.00 0.00 41.12 43.29 2gt9 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36