#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 0.80 -4.38 1.12 5.41 -1.26 -5.02 119.36 116.03 2gt9 n ILE 1 Ca 0.00 -0.20 -0.20 0.00 1.00 0.00 0.00 62.75 63.35 2gt9 n ILE 1 Cb 0.00 -1.97 -0.15 0.00 -0.71 0.00 0.00 39.64 36.81 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 0.92 -0.03 0.38 -0.21 -1.26 -4.48 119.66 114.83 2gt9 s GLN 2 Ca 0.66 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.78 2gt9 s GLN 2 Cb -0.50 -0.87 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 2gt9 s GLN 2 CO 0.45 0.12 -0.14 1.03 -2.12 0.00 0.00 175.29 174.63 2gt9 s ARG 3 N 0.14 1.42 0.15 2.91 0.52 0.66 -4.92 118.95 119.83 2gt9 s ARG 3 Ca -0.02 -0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 2gt9 s ARG 3 Cb -0.08 -1.27 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 2gt9 s ARG 3 CO 0.00 0.19 1.05 0.99 0.02 0.00 0.00 175.30 177.56 2gt9 s THR 4 N 0.09 4.10 0.34 0.02 2.01 -1.26 -1.88 115.64 119.06 2gt9 s THR 4 Ca -0.03 1.77 -0.29 0.00 0.31 0.00 0.00 61.69 63.46 2gt9 s THR 4 Cb -0.10 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.17 2gt9 s THR 4 CO 0.01 0.29 1.34 -2.16 -0.69 0.00 0.00 174.62 173.42 2gt9 s PRO 5 N -0.19 4.31 -0.24 4.92 0.04 -1.26 -4.24 135.00 138.32 2gt9 s PRO 5 Ca 0.49 2.29 -0.12 0.00 0.04 0.00 0.00 61.00 63.70 2gt9 s PRO 5 Cb -0.27 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2gt9 s PRO 5 CO 0.33 -0.26 0.21 0.15 0.04 0.00 0.00 177.00 177.47 2gt9 s LYS 6 N -1.84 4.06 -0.14 4.56 3.01 0.45 -4.91 119.74 124.93 2gt9 s LYS 6 Ca 0.50 -0.19 -0.01 0.00 -1.01 0.00 0.00 55.97 55.26 2gt9 s LYS 6 Cb -0.41 -3.57 -0.01 0.00 -1.01 0.00 0.00 37.83 32.83 2gt9 s LYS 6 CO 0.55 -0.02 -0.12 0.42 0.51 0.00 0.00 175.35 176.68 2gt9 s ILE 7 N 1.30 3.04 -0.07 2.17 1.01 -1.26 -1.64 121.20 125.75 2gt9 s ILE 7 Ca 0.09 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2gt9 s ILE 7 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2gt9 s ILE 7 CO 0.07 0.51 -0.14 -1.10 0.00 0.00 0.00 174.94 174.28 2gt9 s GLN 8 N 0.54 1.87 -0.12 2.79 -0.21 -0.26 -4.99 119.66 119.28 2gt9 s GLN 8 Ca -0.08 -0.49 0.01 0.00 0.02 0.00 0.00 55.36 54.82 2gt9 s GLN 8 Cb -0.16 -1.52 -0.01 0.00 1.00 0.00 0.00 33.01 32.32 2gt9 s GLN 8 CO 0.04 0.07 -0.15 0.08 -2.12 0.00 0.00 175.29 173.21 2gt9 s VAL 9 N 0.56 2.90 0.04 1.09 1.01 -1.26 -0.78 120.40 123.95 2gt9 s VAL 9 Ca -0.14 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 2gt9 s VAL 9 Cb -0.16 -2.19 0.09 0.00 0.00 0.00 0.00 36.38 34.12 2gt9 s VAL 9 CO 0.04 0.54 0.92 -0.72 0.00 0.00 0.00 175.10 175.88 2gt9 s TYR 10 N 0.24 -0.28 0.21 5.22 1.13 -0.67 -4.62 117.35 118.58 2gt9 s TYR 10 Ca -0.10 0.10 -0.03 0.00 -1.41 0.00 0.00 57.07 55.62 2gt9 s TYR 10 Cb -0.16 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 2gt9 s TYR 10 CO 0.06 -0.61 0.43 -1.54 -2.51 0.00 0.00 175.55 171.38 2gt9 s SER 11 N -2.62 6.44 0.13 -0.18 1.04 -1.26 -0.32 113.70 116.93 2gt9 s SER 11 Ca 0.07 0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.89 2gt9 s SER 11 Cb -0.01 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.03 2gt9 s SER 11 CO -0.06 -0.05 1.71 -0.09 0.98 0.00 0.00 173.24 175.72 2gt9 h ARG 12 N 2.18 0.56 -6.17 4.02 2.43 -1.43 -3.45 114.38 112.51 2gt9 h ARG 12 Ca -0.47 -0.09 -0.60 0.00 -0.81 0.00 0.00 59.98 58.01 2gt9 h ARG 12 Cb 1.18 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.50 2gt9 h ARG 12 CO 0.69 0.50 -0.73 -1.01 -1.51 0.00 0.00 179.97 177.92 2gt9 s HIS 13 N -5.68 2.38 0.14 2.20 3.76 -1.26 -5.04 115.29 111.79 2gt9 s HIS 13 Ca -0.13 -0.34 -0.34 0.00 -0.15 0.00 0.00 55.06 54.10 2gt9 s HIS 13 Cb 0.10 -1.08 -0.14 0.00 1.11 0.00 0.00 32.58 32.56 2gt9 s HIS 13 CO 0.74 0.68 1.53 -2.30 -0.85 0.00 0.00 174.74 174.54 2gt9 n PRO 14 N -0.70 1.94 -2.57 8.40 -0.02 -1.26 -4.89 135.00 135.91 2gt9 n PRO 14 Ca -0.05 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.74 2gt9 n PRO 14 Cb 0.60 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.85 3.27 -0.06 3.55 0.00 -1.26 -5.04 121.76 123.07 2gt9 s ALA 15 Ca 0.80 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 53.49 2gt9 s ALA 15 Cb -0.74 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.15 2gt9 s ALA 15 CO 0.40 -0.08 0.13 -2.00 0.00 0.00 0.00 175.76 174.21 2gt9 s GLU 16 N -1.80 0.06 0.14 0.00 2.12 -1.26 -5.12 118.70 112.83 2gt9 s GLU 16 Ca 0.49 0.40 -0.33 0.00 0.36 0.00 0.00 54.97 55.89 2gt9 s GLU 16 Cb -0.26 -0.22 -0.12 0.00 0.26 0.00 0.00 34.13 33.78 2gt9 s GLU 16 CO 0.34 -0.21 1.72 0.09 -0.54 0.00 0.00 175.26 176.65 2gt9 n ASN 17 N 4.52 3.61 0.00 -1.70 3.02 -1.26 -2.09 115.26 121.36 2gt9 n ASN 17 Ca -0.21 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 2gt9 n ASN 17 Cb 0.51 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 3.87 0.59 3.28 7.41 0.00 0.09 -4.99 105.19 115.44 2gt9 n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.80 3.27 0.68 1.61 2.20 -0.89 -4.98 119.74 120.82 2gt9 s LYS 19 Ca 0.00 -0.71 -0.16 0.00 -0.36 0.00 0.00 55.97 54.74 2gt9 s LYS 19 Cb 0.00 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2gt9 s LYS 19 CO 0.00 -0.03 1.18 -1.54 -0.36 0.00 0.00 175.35 174.60 2gt9 s SER 20 N 0.97 4.69 0.16 1.43 1.04 -1.26 -4.26 113.70 116.48 2gt9 s SER 20 Ca -0.02 2.27 -0.10 0.00 0.48 0.00 0.00 55.95 58.58 2gt9 s SER 20 Cb -0.15 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.43 2gt9 s SER 20 CO -0.02 -1.92 0.50 -3.20 0.98 0.00 0.00 173.24 169.59 2gt9 n ASN 21 N -2.35 -1.12 -4.14 7.02 2.85 0.53 -4.98 115.26 113.07 2gt9 n ASN 21 Ca 0.13 -1.69 -0.24 0.00 -0.11 0.00 0.00 54.58 52.66 2gt9 n ASN 21 Cb 0.51 1.85 -0.15 0.00 1.24 0.00 0.00 39.78 43.22 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 -4.55 1.46 -0.18 1.20 0.40 -1.26 -1.23 117.98 113.81 2gt9 s PHE 22 Ca 0.11 -0.28 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 2gt9 s PHE 22 Cb -0.02 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2gt9 s PHE 22 CO 0.05 -0.03 0.06 -1.17 0.70 0.00 0.00 175.22 174.83 2gt9 s LEU 23 N -0.35 3.82 -0.00 -0.37 2.96 0.67 -0.96 118.68 124.44 2gt9 s LEU 23 Ca 0.06 0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2gt9 s LEU 23 Cb -0.06 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2gt9 s LEU 23 CO -0.00 0.18 -0.21 0.20 -1.32 0.00 0.00 176.35 175.20 2gt9 s ASN 24 N 0.36 3.54 -0.21 3.68 0.01 0.56 -1.53 114.94 121.35 2gt9 s ASN 24 Ca 0.03 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 2gt9 s ASN 24 Cb -0.12 -0.55 0.05 0.00 0.41 0.00 0.00 41.25 41.04 2gt9 s ASN 24 CO 0.00 0.30 -0.06 0.00 -1.51 0.00 0.00 177.10 175.83 2gt9 s TYR 26 N 1.47 3.23 -0.12 0.00 5.04 0.04 -0.91 117.35 126.10 2gt9 s TYR 26 Ca -0.03 0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 2gt9 s TYR 26 Cb -0.17 -2.08 0.01 0.00 0.35 0.00 0.00 41.96 40.07 2gt9 s TYR 26 CO -0.07 0.12 -0.22 0.14 -1.34 0.00 0.00 175.55 174.18 2gt9 s VAL 27 N 0.41 1.99 0.16 3.14 -7.23 -0.14 -1.11 120.40 117.62 2gt9 s VAL 27 Ca 0.03 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2gt9 s VAL 27 Cb -0.13 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2gt9 s VAL 27 CO 0.01 0.54 0.10 -0.94 -0.31 0.00 0.00 175.10 174.50 2gt9 s SER 28 N 0.62 0.23 0.00 4.85 1.04 -0.65 -1.15 113.70 118.64 2gt9 s SER 28 Ca -0.12 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2gt9 s SER 28 Cb -0.17 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2gt9 s SER 28 CO 0.03 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2gt9 n GLY 29 N -0.16 0.51 3.90 7.32 0.00 -0.44 -0.41 105.19 115.91 2gt9 n GLY 29 Ca -0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.36 -0.28 1.61 -0.71 -1.15 -4.15 117.98 114.67 2gt9 s PHE 30 Ca 0.00 0.05 -0.19 0.00 -1.04 0.00 0.00 56.93 55.76 2gt9 s PHE 30 Cb 0.00 -1.60 0.10 0.00 -1.21 0.00 0.00 43.02 40.31 2gt9 s PHE 30 CO 0.00 0.51 0.80 -1.58 -1.34 0.00 0.00 175.22 173.61 2gt9 s HIS 31 N -1.78 -0.83 0.88 3.49 2.46 -0.79 -0.55 115.29 118.16 2gt9 s HIS 31 Ca 0.33 1.76 -0.15 0.00 0.47 0.00 0.00 55.06 57.48 2gt9 s HIS 31 Cb -0.10 0.47 0.22 0.00 -0.13 0.00 0.00 32.58 33.03 2gt9 s HIS 31 CO 0.27 -0.41 0.86 -0.35 -2.47 0.00 0.00 174.74 172.63 2gt9 n PRO 32 N 3.61 -2.28 0.19 2.88 -0.04 -1.26 -0.25 135.00 137.85 2gt9 n PRO 32 Ca -0.18 -1.36 0.13 0.00 -0.04 0.00 0.00 63.50 62.06 2gt9 n PRO 32 Cb 0.58 -1.19 0.38 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.10 0.00 -3.09 3.54 4.64 -2.00 -3.45 113.55 111.09 2gt9 h SER 33 Ca -0.31 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.47 2gt9 h SER 33 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2gt9 h SER 33 CO 0.21 0.00 0.67 -1.81 -0.87 0.00 0.00 176.83 175.03 2gt9 s ASP 34 N -5.45 7.01 -0.11 4.97 -0.00 -1.26 -4.97 116.67 116.86 2gt9 s ASP 34 Ca 0.06 1.97 -0.23 0.00 -0.00 0.00 0.00 52.55 54.35 2gt9 s ASP 34 Cb 0.08 -2.57 0.05 0.00 -0.00 0.00 0.00 42.92 40.49 2gt9 s ASP 34 CO 0.59 -0.57 0.56 -0.51 -0.00 0.00 0.00 175.17 175.24 2gt9 s ILE 35 N 1.74 0.01 -0.15 0.77 2.07 -1.26 -4.66 121.20 119.72 2gt9 s ILE 35 Ca 0.59 -0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 2gt9 s ILE 35 Cb -0.28 -0.84 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 2gt9 s ILE 35 CO 0.26 -0.06 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.50 2gt9 s GLU 36 N -0.63 3.34 -0.06 3.50 2.02 -0.70 -5.00 118.70 121.17 2gt9 s GLU 36 Ca -0.07 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.24 2gt9 s GLU 36 Cb -0.03 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.52 2gt9 s GLU 36 CO 0.05 0.08 -0.10 0.08 0.02 0.00 0.00 175.26 175.40 2gt9 s VAL 37 N 0.68 0.95 0.02 2.63 1.01 -1.26 -1.27 120.40 123.17 2gt9 s VAL 37 Ca -0.06 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2gt9 s VAL 37 Cb -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2gt9 s VAL 37 CO 0.02 0.32 -0.17 -1.81 0.00 0.00 0.00 175.10 173.46 2gt9 s ASP 38 N 0.85 2.05 -0.03 3.32 -0.00 -0.12 -4.97 116.67 117.77 2gt9 s ASP 38 Ca -0.12 -0.41 -0.13 0.00 -0.00 0.00 0.00 52.55 51.89 2gt9 s ASP 38 Cb -0.15 -0.18 -0.05 0.00 -0.00 0.00 0.00 42.92 42.53 2gt9 s ASP 38 CO 0.01 0.15 0.34 -0.76 -0.00 0.00 0.00 175.17 174.91 2gt9 s LEU 39 N -0.85 4.45 0.04 1.23 1.43 -1.26 -0.11 118.68 123.62 2gt9 s LEU 39 Ca 0.06 0.84 0.09 0.00 -1.03 0.00 0.00 54.13 54.08 2gt9 s LEU 39 Cb -0.08 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 2gt9 s LEU 39 CO 0.01 0.34 -0.25 -0.76 0.23 0.00 0.00 176.35 175.92 2gt9 s LEU 40 N -1.03 2.16 -0.18 1.79 1.43 0.17 -1.17 118.68 121.85 2gt9 s LEU 40 Ca 0.21 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2gt9 s LEU 40 Cb -0.15 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 44.90 2gt9 s LEU 40 CO 0.11 0.23 -0.14 -0.75 0.23 0.00 0.00 176.35 176.03 2gt9 s LYS 41 N -1.20 2.33 -1.61 1.70 2.20 -0.31 -1.85 119.74 121.00 2gt9 s LYS 41 Ca 0.10 -0.73 -0.13 0.00 -0.36 0.00 0.00 55.97 54.85 2gt9 s LYS 41 Cb -0.10 -2.33 0.11 0.00 -1.51 0.00 0.00 37.83 34.01 2gt9 s LYS 41 CO 0.02 -0.31 0.66 0.09 -0.36 0.00 0.00 175.35 175.45 2gt9 n ASN 42 N 4.70 -2.33 0.00 1.43 3.02 0.13 -1.36 115.26 120.84 2gt9 n ASN 42 Ca -0.17 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2gt9 n ASN 42 Cb 0.49 -2.81 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.62 1.70 3.79 7.41 0.00 -1.26 -5.03 105.19 110.17 2gt9 n GLY 43 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2gt9 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gt9 s GLU 44 N -0.21 3.57 0.17 1.61 2.12 -0.47 -5.01 118.70 120.49 2gt9 s GLU 44 Ca 0.00 -0.22 -0.32 0.00 0.36 0.00 0.00 54.97 54.80 2gt9 s GLU 44 Cb 0.00 -3.17 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 2gt9 s GLU 44 CO 0.00 0.61 1.61 0.50 -0.54 0.00 0.00 175.26 177.44 2gt9 s ARG 45 N -0.57 4.20 -0.22 4.30 3.52 -1.26 -1.17 118.95 127.75 2gt9 s ARG 45 Ca 0.12 2.41 -0.25 0.00 -0.13 0.00 0.00 55.73 57.88 2gt9 s ARG 45 Cb -0.12 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2gt9 s ARG 45 CO 0.02 -0.65 0.82 0.42 -0.81 0.00 0.00 175.30 175.11 2gt9 s ILE 46 N 1.27 4.85 -0.06 4.11 1.01 -0.32 -4.89 121.20 127.17 2gt9 s ILE 46 Ca 0.71 1.58 0.12 0.00 0.00 0.00 0.00 60.65 63.06 2gt9 s ILE 46 Cb -0.45 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2gt9 s ILE 46 CO 0.31 -0.04 1.38 -0.33 0.00 0.00 0.00 174.94 176.26 2gt9 h GLU 47 N 7.57 0.00 -2.97 2.79 5.08 -1.93 -3.38 114.58 121.74 2gt9 h GLU 47 Ca -0.25 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.36 2gt9 h GLU 47 Cb 1.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 2gt9 h GLU 47 CO 0.86 0.67 2.25 1.17 -1.00 0.00 0.00 179.01 182.97 2gt9 n LYS 48 N -3.26 4.20 -4.92 2.33 4.81 -1.26 -4.96 118.16 115.10 2gt9 n LYS 48 Ca 0.01 -3.49 -0.32 0.00 -0.87 0.00 0.00 58.31 53.64 2gt9 n LYS 48 Cb 0.81 -2.75 -0.13 0.00 0.02 0.00 0.00 35.03 32.98 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 -0.54 2.90 0.33 3.15 1.01 -1.26 -4.68 120.40 121.30 2gt9 s VAL 49 Ca 0.48 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.71 2gt9 s VAL 49 Cb 0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2gt9 s VAL 49 CO -0.05 0.56 0.07 -1.61 0.00 0.00 0.00 175.10 174.06 2gt9 s GLU 50 N -0.81 2.24 0.06 2.72 2.02 -0.46 -4.95 118.70 119.53 2gt9 s GLU 50 Ca 0.12 -1.61 -0.05 0.00 0.02 0.00 0.00 54.97 53.45 2gt9 s GLU 50 Cb -0.11 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2gt9 s GLU 50 CO 0.01 0.16 0.08 -3.38 0.02 0.00 0.00 175.26 172.15 2gt9 s HIS 51 N -2.45 0.31 0.80 1.61 -3.43 -1.26 -1.07 115.29 109.81 2gt9 s HIS 51 Ca 0.36 -0.77 -0.12 0.00 -0.80 0.00 0.00 55.06 53.73 2gt9 s HIS 51 Cb -0.02 -0.21 0.07 0.00 -1.43 0.00 0.00 32.58 30.99 2gt9 s HIS 51 CO 0.21 -0.45 1.10 -1.54 -2.00 0.00 0.00 174.74 172.06 2gt9 s SER 52 N -2.76 4.47 0.26 7.38 1.04 0.12 -5.00 113.70 119.21 2gt9 s SER 52 Ca 0.04 1.27 -0.29 0.00 0.48 0.00 0.00 55.95 57.45 2gt9 s SER 52 Cb 0.05 -1.99 -0.09 0.00 0.10 0.00 0.00 66.02 64.09 2gt9 s SER 52 CO -0.10 -1.98 0.93 -1.81 0.98 0.00 0.00 173.24 171.27 2gt9 s ASP 53 N -3.95 7.55 0.12 7.02 -0.00 -1.26 -4.75 116.67 121.40 2gt9 s ASP 53 Ca 0.61 1.90 -0.31 0.00 -0.00 0.00 0.00 52.55 54.74 2gt9 s ASP 53 Cb -0.14 -2.59 -0.10 0.00 -0.00 0.00 0.00 42.92 40.09 2gt9 s ASP 53 CO 0.54 0.11 1.70 -0.22 -0.00 0.00 0.00 175.17 177.29 2gt9 s LEU 54 N -1.40 4.38 0.36 1.23 2.96 -1.26 -4.93 118.68 120.00 2gt9 s LEU 54 Ca 0.43 2.64 0.07 0.00 -0.22 0.00 0.00 54.13 57.06 2gt9 s LEU 54 Cb -0.24 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 2gt9 s LEU 54 CO 0.29 -0.92 0.27 -0.55 -1.32 0.00 0.00 176.35 174.12 2gt9 s SER 55 N 2.09 1.99 0.12 3.68 0.15 -1.22 -5.05 113.70 115.46 2gt9 s SER 55 Ca 0.75 -1.78 -0.10 0.00 0.70 0.00 0.00 55.95 55.53 2gt9 s SER 55 Cb -0.44 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2gt9 s SER 55 CO 0.33 -1.07 0.24 0.72 1.20 0.00 0.00 173.24 174.67 2gt9 s PHE 56 N -3.35 0.19 0.60 3.44 -0.12 -1.26 -1.61 117.98 115.86 2gt9 s PHE 56 Ca 0.38 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 2gt9 s PHE 56 Cb 0.02 -0.02 0.12 0.00 -0.63 0.00 0.00 43.02 42.50 2gt9 s PHE 56 CO 0.27 -0.62 0.82 0.43 -0.05 0.00 0.00 175.22 176.06 2gt9 n SER 57 N -0.13 1.19 -0.07 1.98 7.64 -0.21 -4.94 113.62 119.09 2gt9 n SER 57 Ca -0.13 -1.98 0.15 0.00 1.01 0.00 0.00 58.87 57.92 2gt9 n SER 57 Cb 0.63 -0.52 0.56 0.00 -1.01 0.00 0.00 64.21 63.86 2gt9 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2gt9 h LYS 58 N 0.00 0.28 -0.38 1.43 1.57 -2.03 -1.51 116.57 115.93 2gt9 h LYS 58 Ca -0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2gt9 h LYS 58 Cb 1.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2gt9 h LYS 58 CO 0.30 0.18 0.00 -0.40 -0.57 0.00 0.00 179.45 178.96 2gt9 n ASP 59 N -4.45 1.80 0.00 0.86 5.75 -1.26 -4.91 116.55 114.34 2gt9 n ASP 59 Ca 0.10 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2gt9 n ASP 59 Cb 0.46 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.36 0.00 -2.58 2.11 7.02 -0.57 -5.02 117.44 118.76 2gt9 n TRP 60 Ca 0.10 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.23 2gt9 n TRP 60 Cb 0.31 -0.15 -0.04 0.00 -2.42 0.00 0.00 31.31 29.01 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 -3.35 6.65 0.38 -0.99 1.04 -1.26 -4.65 113.70 111.52 2gt9 s SER 61 Ca 0.00 1.95 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 2gt9 s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2gt9 s SER 61 CO 0.00 -0.57 0.68 -0.36 0.98 0.00 0.00 173.24 173.98 2gt9 s PHE 62 N -1.83 3.50 0.02 5.02 0.08 0.28 -1.04 117.98 124.01 2gt9 s PHE 62 Ca 0.61 0.78 -0.02 0.00 0.12 0.00 0.00 56.93 58.42 2gt9 s PHE 62 Cb -0.18 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2gt9 s PHE 62 CO 0.23 -0.04 0.02 1.52 -0.10 0.00 0.00 175.22 176.84 2gt9 s TYR 63 N -2.38 0.22 -0.11 0.36 -0.85 -0.64 -1.32 117.35 112.63 2gt9 s TYR 63 Ca 0.47 -0.46 -0.14 0.00 -0.52 0.00 0.00 57.07 56.42 2gt9 s TYR 63 Cb -0.10 -0.16 0.03 0.00 0.38 0.00 0.00 41.96 42.11 2gt9 s TYR 63 CO 0.35 -0.23 0.37 -0.51 -1.52 0.00 0.00 175.55 174.01 2gt9 s LEU 64 N -1.55 0.60 -0.14 -3.49 1.43 -0.30 -3.38 118.68 111.84 2gt9 s LEU 64 Ca -0.14 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 2gt9 s LEU 64 Cb -0.08 1.31 -0.02 0.00 0.03 0.00 0.00 46.19 47.43 2gt9 s LEU 64 CO -0.01 -0.20 -0.10 -0.22 0.23 0.00 0.00 176.35 176.04 2gt9 s LEU 65 N -0.12 2.83 -0.10 1.79 2.96 -1.26 -0.97 118.68 123.81 2gt9 s LEU 65 Ca -0.03 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2gt9 s LEU 65 Cb -0.03 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2gt9 s LEU 65 CO 0.01 0.14 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.85 2gt9 s TYR 66 N 0.48 3.06 -0.01 5.38 2.02 -0.09 -0.70 117.35 127.50 2gt9 s TYR 66 Ca -0.08 0.04 -0.17 0.00 -0.37 0.00 0.00 57.07 56.50 2gt9 s TYR 66 Cb -0.15 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2gt9 s TYR 66 CO 0.04 0.32 0.35 1.52 -1.57 0.00 0.00 175.55 176.21 2gt9 s TYR 67 N -0.59 -0.23 0.02 2.71 -0.85 -0.23 -0.61 117.35 117.56 2gt9 s TYR 67 Ca 0.09 0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 56.88 2gt9 s TYR 67 Cb -0.12 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.36 2gt9 s TYR 67 CO 0.02 -0.43 0.18 -0.08 -1.52 0.00 0.00 175.55 173.72 2gt9 s THR 68 N -1.48 0.09 0.22 -3.49 -1.32 -0.59 -1.35 115.64 107.72 2gt9 s THR 68 Ca -0.12 -0.76 -0.30 0.00 -1.21 0.00 0.00 61.69 59.30 2gt9 s THR 68 Cb -0.04 -0.65 -0.09 0.00 -1.51 0.00 0.00 72.50 70.21 2gt9 s THR 68 CO 0.04 -0.42 1.22 -0.70 -2.21 0.00 0.00 174.62 172.54 2gt9 s GLU 69 N -1.87 4.48 0.09 7.08 2.12 -1.26 -0.24 118.70 129.11 2gt9 s GLU 69 Ca -0.11 1.94 -0.08 0.00 0.36 0.00 0.00 54.97 57.08 2gt9 s GLU 69 Cb -0.05 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 2gt9 s GLU 69 CO -0.00 -0.08 0.19 -0.59 -0.54 0.00 0.00 175.26 174.23 2gt9 s PHE 70 N -0.32 0.20 -0.28 5.30 -0.71 -0.37 -4.85 117.98 116.97 2gt9 s PHE 70 Ca 0.52 -0.63 0.01 0.00 -1.04 0.00 0.00 56.93 55.79 2gt9 s PHE 70 Cb -0.34 -0.08 0.08 0.00 -1.21 0.00 0.00 43.02 41.47 2gt9 s PHE 70 CO 0.39 -0.55 0.00 0.99 -1.34 0.00 0.00 175.22 174.71 2gt9 s THR 71 N -3.88 1.62 0.49 -4.49 2.01 -1.26 -0.34 115.64 109.78 2gt9 s THR 71 Ca 0.07 -1.56 -0.23 0.00 0.31 0.00 0.00 61.69 60.27 2gt9 s THR 71 Cb 0.05 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 2gt9 s THR 71 CO -0.10 -0.34 1.25 -2.16 -0.69 0.00 0.00 174.62 172.58 2gt9 s PRO 72 N 1.30 3.54 0.34 4.92 0.04 -1.26 -4.79 135.00 139.09 2gt9 s PRO 72 Ca 0.01 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2gt9 s PRO 72 Cb -0.19 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2gt9 s PRO 72 CO -0.10 -0.79 0.13 0.95 0.04 0.00 0.00 177.00 177.22 2gt9 s THR 73 N -1.43 0.57 0.11 1.26 -4.23 -1.26 -0.73 115.64 109.92 2gt9 s THR 73 Ca 0.66 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.95 2gt9 s THR 73 Cb -0.34 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 2gt9 s THR 73 CO 0.41 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.87 2gt9 h GLU 74 N 2.06 -0.03 0.00 3.99 4.39 -1.98 -3.34 114.58 119.67 2gt9 h GLU 74 Ca -0.35 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.20 2gt9 h GLU 74 Cb 1.26 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2gt9 h GLU 74 CO 0.57 -0.02 -1.21 1.57 -1.16 0.00 0.00 179.01 178.76 2gt9 h LYS 75 N -0.03 0.00 -6.48 2.33 2.10 -2.02 -3.47 116.57 109.00 2gt9 h LYS 75 Ca 0.05 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.17 2gt9 h LYS 75 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 2gt9 h LYS 75 CO -0.12 0.32 0.47 -0.51 -2.00 0.00 0.00 179.45 177.61 2gt9 s ASP 76 N -5.89 7.23 -0.19 7.07 1.01 -1.26 -5.00 116.67 119.63 2gt9 s ASP 76 Ca -0.01 1.89 -0.11 0.00 0.71 0.00 0.00 52.55 55.03 2gt9 s ASP 76 Cb 0.09 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 2gt9 s ASP 76 CO 0.80 -0.34 0.16 -1.61 0.21 0.00 0.00 175.17 174.38 2gt9 s GLU 77 N 0.82 4.19 0.12 8.23 2.02 -1.26 -4.76 118.70 128.05 2gt9 s GLU 77 Ca 0.55 -0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.45 2gt9 s GLU 77 Cb -0.26 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 2gt9 s GLU 77 CO 0.29 0.30 -0.14 0.71 0.02 0.00 0.00 175.26 176.44 2gt9 s TYR 78 N 0.36 2.61 0.22 1.61 2.02 -1.26 0.17 117.35 123.07 2gt9 s TYR 78 Ca 0.10 -0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.38 2gt9 s TYR 78 Cb -0.11 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 2gt9 s TYR 78 CO -0.01 0.42 0.59 0.00 -1.57 0.00 0.00 175.55 174.98 2gt9 s ALA 79 N -1.25 -1.08 -0.07 3.71 0.00 -0.77 -0.53 121.76 121.76 2gt9 s ALA 79 Ca 0.20 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.04 2gt9 s ALA 79 Cb -0.10 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 2gt9 s ALA 79 CO 0.12 -0.87 -0.23 0.00 0.00 0.00 0.00 175.76 174.78 2gt9 s ARG 81 N 0.10 3.38 -0.05 0.00 3.52 0.85 -1.48 118.95 125.28 2gt9 s ARG 81 Ca -0.11 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 54.88 2gt9 s ARG 81 Cb -0.15 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 2gt9 s ARG 81 CO 0.06 0.05 -0.18 0.08 -0.81 0.00 0.00 175.30 174.50 2gt9 s VAL 82 N 0.78 1.55 0.08 7.11 1.01 -0.03 -0.95 120.40 129.95 2gt9 s VAL 82 Ca -0.04 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.24 2gt9 s VAL 82 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2gt9 s VAL 82 CO 0.01 0.44 -0.20 0.21 0.00 0.00 0.00 175.10 175.56 2gt9 s ASN 83 N 0.06 2.41 0.10 3.32 2.47 -0.40 -0.98 114.94 121.93 2gt9 s ASN 83 Ca -0.05 -0.63 -0.25 0.00 0.42 0.00 0.00 52.86 52.35 2gt9 s ASN 83 Cb -0.12 -0.15 0.08 0.00 -1.45 0.00 0.00 41.25 39.61 2gt9 s ASN 83 CO 0.03 0.07 0.66 -2.28 -3.72 0.00 0.00 177.10 171.86 2gt9 s HIS 84 N -1.07 -0.52 0.55 0.43 5.65 -1.26 -1.72 115.29 117.35 2gt9 s HIS 84 Ca 0.06 0.43 0.22 0.00 0.25 0.00 0.00 55.06 56.01 2gt9 s HIS 84 Cb -0.10 0.53 1.48 0.00 -1.18 0.00 0.00 32.58 33.32 2gt9 s HIS 84 CO 0.03 -0.76 2.17 -0.24 -0.65 0.00 0.00 174.74 175.30 2gt9 h VAL 85 N 2.14 0.80 0.00 0.89 3.04 -1.95 -1.83 116.25 119.35 2gt9 h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2gt9 h VAL 85 Cb 1.27 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2gt9 h VAL 85 CO 0.37 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.28 2gt9 n THR 86 N -4.26 0.46 -3.88 3.17 -2.24 -1.26 -4.74 114.28 101.52 2gt9 n THR 86 Ca -0.02 0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 2gt9 n THR 86 Cb 0.13 -0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 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 -3.25 3.97 0.45 3.22 1.43 -0.69 -4.99 118.68 118.83 2gt9 s LEU 87 Ca 0.11 0.13 0.28 0.00 -1.03 0.00 0.00 54.13 53.62 2gt9 s LEU 87 Cb 0.14 -2.02 0.91 0.00 0.03 0.00 0.00 46.19 45.26 2gt9 s LEU 87 CO 0.44 0.17 1.80 0.77 0.23 0.00 0.00 176.35 179.76 2gt9 h SER 88 N 6.74 0.00 -5.10 2.29 4.64 -1.85 -3.44 113.55 116.83 2gt9 h SER 88 Ca -0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2gt9 h SER 88 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2gt9 h SER 88 CO 0.72 0.00 0.03 0.00 -0.87 0.00 0.00 176.83 176.71 2gt9 s GLN 89 N -3.42 1.47 0.40 4.77 -2.07 -1.26 -5.14 119.66 114.41 2gt9 s GLN 89 Ca 0.04 -0.96 -0.27 0.00 -1.82 0.00 0.00 55.36 52.36 2gt9 s GLN 89 Cb 0.08 0.52 -0.10 0.00 -1.09 0.00 0.00 33.01 32.42 2gt9 s GLN 89 CO 0.58 -0.63 1.42 -2.30 -1.32 0.00 0.00 175.29 173.04 2gt9 n PRO 90 N -0.36 2.39 -3.54 9.60 -0.02 -1.26 -4.92 135.00 136.87 2gt9 n PRO 90 Ca -0.08 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 2gt9 n PRO 90 Cb 0.62 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 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 -2.20 4.16 -0.23 -0.52 2.20 -0.15 -4.91 119.74 118.10 2gt9 s LYS 91 Ca 0.57 -0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.10 2gt9 s LYS 91 Cb -0.48 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2gt9 s LYS 91 CO 0.61 0.09 0.02 0.42 -0.36 0.00 0.00 175.35 176.13 2gt9 s ILE 92 N 0.94 3.91 -0.20 5.43 1.01 -1.26 -0.85 121.20 130.18 2gt9 s ILE 92 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 2gt9 s ILE 92 Cb -0.14 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 2gt9 s ILE 92 CO 0.05 0.39 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 2gt9 s VAL 93 N 1.42 3.30 0.20 2.92 1.01 -0.55 -4.97 120.40 123.74 2gt9 s VAL 93 Ca 0.05 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 2gt9 s VAL 93 Cb -0.15 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 2gt9 s VAL 93 CO 0.01 0.45 0.68 -0.54 0.00 0.00 0.00 175.10 175.71 2gt9 s LYS 94 N 1.18 4.20 0.02 2.72 1.02 -1.26 -1.16 119.74 126.46 2gt9 s LYS 94 Ca 0.02 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 56.50 2gt9 s LYS 94 Cb -0.14 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.19 2gt9 s LYS 94 CO -0.02 0.42 1.56 -0.46 -0.92 0.00 0.00 175.35 175.94 2gt9 s TRP 95 N -1.49 2.50 -0.31 3.18 -0.00 0.30 -4.88 118.94 118.24 2gt9 s TRP 95 Ca 0.41 0.47 0.02 0.00 -0.00 0.00 0.00 56.10 57.01 2gt9 s TRP 95 Cb -0.16 -3.85 0.08 0.00 -0.00 0.00 0.00 33.47 29.53 2gt9 s TRP 95 CO 0.21 -3.37 -0.01 0.34 -0.00 0.00 0.00 176.95 174.12 2gt9 s ASP 96 N 2.38 4.70 0.07 5.86 -1.08 -1.26 -4.78 116.67 122.56 2gt9 s ASP 96 Ca 0.70 -1.68 0.25 0.00 -0.52 0.00 0.00 52.55 51.30 2gt9 s ASP 96 Cb -0.36 -1.63 1.01 0.00 -1.46 0.00 0.00 42.92 40.48 2gt9 s ASP 96 CO 0.30 -0.29 1.79 -2.11 0.52 0.00 0.00 175.17 175.37 2gt9 n ARG 97 N 4.42 0.08 -0.70 4.34 1.85 -1.26 -3.29 116.66 122.10 2gt9 n ARG 97 Ca -0.07 0.13 0.08 0.00 -1.00 0.00 0.00 57.85 56.99 2gt9 n ARG 97 Cb 0.42 -1.61 0.36 0.00 -1.05 0.00 0.00 32.46 30.58 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 -1.75 4.93 0.00 2.89 10.43 -1.26 -4.95 116.55 126.84 2gt9 n ASP 98 Ca 0.06 -2.61 0.06 0.00 2.57 0.00 0.00 54.79 54.86 2gt9 n ASP 98 Cb 0.32 -0.61 0.36 0.00 1.84 0.00 0.00 41.12 43.03 2gt9 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36