#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj6 s ILE 1 N 0.00 4.85 -0.08 3.17 -1.09 -1.26 -5.07 121.20 121.72 2gj6 s ILE 1 Ca 0.00 1.76 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 2gj6 s ILE 1 Cb 0.00 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 2gj6 s ILE 1 CO 0.00 0.26 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.64 2gj6 s GLN 2 N 0.57 2.84 -0.02 2.79 -0.21 -1.26 -4.34 119.66 120.03 2gj6 s GLN 2 Ca 0.44 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.98 2gj6 s GLN 2 Cb -0.20 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.53 2gj6 s GLN 2 CO 0.24 0.29 -0.08 1.03 -2.12 0.00 0.00 175.29 174.65 2gj6 s ARG 3 N 0.07 0.78 0.36 2.91 0.52 0.81 -4.89 118.95 119.50 2gj6 s ARG 3 Ca -0.10 -0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 54.59 2gj6 s ARG 3 Cb -0.16 -0.75 -0.10 0.00 0.52 0.00 0.00 34.95 34.47 2gj6 s ARG 3 CO 0.06 0.12 1.00 0.95 0.02 0.00 0.00 175.30 177.45 2gj6 s THR 4 N 0.06 3.96 0.48 0.02 -4.23 -1.26 -2.16 115.64 112.50 2gj6 s THR 4 Ca -0.01 1.57 -0.21 0.00 -1.18 0.00 0.00 61.69 61.86 2gj6 s THR 4 Cb -0.06 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.85 2gj6 s THR 4 CO 0.00 0.07 1.05 -2.16 -0.54 0.00 0.00 174.62 173.05 2gj6 s PRO 5 N -2.26 3.80 0.17 3.99 0.04 -1.26 -4.40 135.00 135.07 2gj6 s PRO 5 Ca 0.54 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 2gj6 s PRO 5 Cb -0.20 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2gj6 s PRO 5 CO 0.26 -0.44 0.42 0.15 0.04 0.00 0.00 177.00 177.43 2gj6 s LYS 6 N -3.12 3.66 -0.05 4.56 1.02 0.92 -4.90 119.74 121.83 2gj6 s LYS 6 Ca 0.66 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.65 2gj6 s LYS 6 Cb -0.18 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2gj6 s LYS 6 CO 0.22 0.42 -0.02 0.42 -0.92 0.00 0.00 175.35 175.48 2gj6 s ILE 7 N -1.71 0.38 -0.10 2.17 1.01 -1.26 -1.83 121.20 119.86 2gj6 s ILE 7 Ca 0.43 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.12 2gj6 s ILE 7 Cb -0.12 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2gj6 s ILE 7 CO 0.24 0.22 -0.19 -1.10 0.00 0.00 0.00 174.94 174.11 2gj6 s GLN 8 N 1.32 2.55 -0.17 2.79 -0.21 -0.35 -4.97 119.66 120.61 2gj6 s GLN 8 Ca -0.05 -0.69 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 2gj6 s GLN 8 Cb -0.13 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 2gj6 s GLN 8 CO -0.02 0.04 -0.06 0.08 -2.12 0.00 0.00 175.29 173.21 2gj6 s VAL 9 N 0.68 3.53 0.21 1.09 1.01 -1.26 -0.75 120.40 124.91 2gj6 s VAL 9 Ca -0.12 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2gj6 s VAL 9 Cb -0.16 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.73 2gj6 s VAL 9 CO 0.03 0.48 0.95 -0.72 0.00 0.00 0.00 175.10 175.83 2gj6 s TYR 10 N 0.67 -0.01 0.17 5.22 1.13 -0.64 -4.48 117.35 119.41 2gj6 s TYR 10 Ca -0.03 -0.41 0.09 0.00 -1.41 0.00 0.00 57.07 55.31 2gj6 s TYR 10 Cb -0.15 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 2gj6 s TYR 10 CO 0.02 -1.02 -0.12 -1.54 -2.51 0.00 0.00 175.55 170.38 2gj6 s SER 11 N -3.14 4.14 0.10 -0.18 1.04 -1.26 0.89 113.70 115.28 2gj6 s SER 11 Ca 0.16 -0.60 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 2gj6 s SER 11 Cb -0.03 -0.66 -0.06 0.00 0.10 0.00 0.00 66.02 65.37 2gj6 s SER 11 CO 0.05 0.11 1.59 -0.09 0.98 0.00 0.00 173.24 175.89 2gj6 h ARG 12 N 3.04 0.46 -6.14 4.02 2.43 -1.49 -3.44 114.38 113.26 2gj6 h ARG 12 Ca -0.47 -0.11 -0.55 0.00 -0.81 0.00 0.00 59.98 58.04 2gj6 h ARG 12 Cb 1.20 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 2gj6 h ARG 12 CO 0.53 0.54 -0.58 -1.01 -1.51 0.00 0.00 179.97 177.94 2gj6 s HIS 13 N -5.28 2.72 0.32 2.20 3.76 -1.26 -5.04 115.29 112.71 2gj6 s HIS 13 Ca -0.13 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 2gj6 s HIS 13 Cb 0.08 -1.44 -0.11 0.00 1.11 0.00 0.00 32.58 32.22 2gj6 s HIS 13 CO 0.74 0.47 1.51 -2.14 -0.85 0.00 0.00 174.74 174.47 2gj6 s PRO 14 N -3.77 4.16 0.17 8.40 0.02 -1.26 -4.89 135.00 137.82 2gj6 s PRO 14 Ca 0.35 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.57 2gj6 s PRO 14 Cb -0.04 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 2gj6 s PRO 14 CO 0.22 -0.53 1.19 0.00 -0.33 0.00 0.00 177.00 177.54 2gj6 s ALA 15 N -0.48 3.43 -0.04 -1.55 0.00 -1.26 -5.02 121.76 116.82 2gj6 s ALA 15 Ca 0.58 0.92 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 2gj6 s ALA 15 Cb -0.46 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.28 2gj6 s ALA 15 CO 0.53 -0.36 0.08 -1.21 0.00 0.00 0.00 175.76 174.80 2gj6 s GLU 16 N -0.06 -0.01 0.23 0.00 2.02 -1.26 -5.12 118.70 114.48 2gj6 s GLU 16 Ca 0.53 0.33 -0.31 0.00 0.02 0.00 0.00 54.97 55.55 2gj6 s GLU 16 Cb -0.32 -0.31 -0.10 0.00 0.10 0.00 0.00 34.13 33.50 2gj6 s GLU 16 CO 0.35 -0.23 1.51 -0.80 0.02 0.00 0.00 175.26 176.11 2gj6 s ASN 17 N 1.57 6.58 0.00 -0.19 0.01 -1.26 -1.90 114.94 119.76 2gj6 s ASN 17 Ca -0.03 2.70 0.00 0.00 -0.71 0.00 0.00 52.86 54.81 2gj6 s ASN 17 Cb -0.12 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2gj6 s ASN 17 CO -0.04 -0.78 0.00 0.61 -1.51 0.00 0.00 177.10 175.38 2gj6 n GLY 18 N 2.75 0.89 3.46 0.66 0.00 -0.61 -5.00 105.19 107.33 2gj6 n GLY 18 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2gj6 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gj6 s LYS 19 N -0.22 3.40 0.26 1.61 -0.14 -0.80 -5.02 119.74 118.83 2gj6 s LYS 19 Ca 0.00 -0.60 -0.30 0.00 -1.36 0.00 0.00 55.97 53.72 2gj6 s LYS 19 Cb 0.00 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.31 2gj6 s LYS 19 CO 0.00 0.30 1.37 0.45 -0.76 0.00 0.00 175.35 176.71 2gj6 s SER 20 N 0.16 6.76 0.18 2.83 0.15 -1.26 -4.31 113.70 118.21 2gj6 s SER 20 Ca -0.04 2.59 -0.01 0.00 0.70 0.00 0.00 55.95 59.19 2gj6 s SER 20 Cb -0.14 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 2gj6 s SER 20 CO 0.04 -0.60 0.25 -3.20 1.20 0.00 0.00 173.24 170.92 2gj6 n ASN 21 N 2.02 -0.70 -4.11 5.45 2.85 0.41 -5.00 115.26 116.18 2gj6 n ASN 21 Ca 0.05 -1.94 -0.25 0.00 -0.11 0.00 0.00 54.58 52.32 2gj6 n ASN 21 Cb 0.41 1.30 -0.16 0.00 1.24 0.00 0.00 39.78 42.57 2gj6 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gj6 s PHE 22 N -4.03 1.61 -0.19 1.20 0.40 -1.26 -1.19 117.98 114.52 2gj6 s PHE 22 Ca 0.14 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 2gj6 s PHE 22 Cb -0.01 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 2gj6 s PHE 22 CO 0.10 -0.17 0.22 -1.17 0.70 0.00 0.00 175.22 174.91 2gj6 s LEU 23 N 0.12 4.21 -0.04 -0.37 2.96 0.13 -1.09 118.68 124.60 2gj6 s LEU 23 Ca -0.05 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 2gj6 s LEU 23 Cb -0.12 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2gj6 s LEU 23 CO 0.02 0.12 -0.18 0.20 -1.32 0.00 0.00 176.35 175.19 2gj6 s ASN 24 N 0.52 3.71 -0.23 3.68 0.01 0.26 -2.06 114.94 120.83 2gj6 s ASN 24 Ca 0.13 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 2gj6 s ASN 24 Cb -0.12 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.86 2gj6 s ASN 24 CO 0.02 0.33 -0.07 0.00 -1.51 0.00 0.00 177.10 175.87 2gj6 s TYR 26 N 1.38 3.20 -0.11 0.00 5.04 0.07 -0.66 117.35 126.27 2gj6 s TYR 26 Ca -0.05 -0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 53.97 2gj6 s TYR 26 Cb -0.18 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 2gj6 s TYR 26 CO -0.06 -0.48 -0.01 0.14 -1.34 0.00 0.00 175.55 173.80 2gj6 s VAL 27 N 1.62 4.16 0.14 3.14 -7.23 -0.44 -1.22 120.40 120.57 2gj6 s VAL 27 Ca 0.04 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 2gj6 s VAL 27 Cb -0.18 -2.78 0.04 0.00 0.56 0.00 0.00 36.38 34.03 2gj6 s VAL 27 CO 0.07 0.56 0.44 -0.94 -0.31 0.00 0.00 175.10 174.92 2gj6 s SER 28 N -0.38 -0.29 -0.12 4.85 1.04 -0.76 -1.38 113.70 116.66 2gj6 s SER 28 Ca 0.07 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2gj6 s SER 28 Cb -0.12 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2gj6 s SER 28 CO 0.02 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2gj6 n GLY 29 N -0.26 0.37 3.62 7.32 0.00 0.15 -0.06 105.19 116.33 2gj6 n GLY 29 Ca -0.16 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 2gj6 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gj6 s PHE 30 N -2.06 2.74 -0.24 1.61 -0.71 -1.12 -4.35 117.98 113.86 2gj6 s PHE 30 Ca 0.00 -0.18 -0.17 0.00 -1.04 0.00 0.00 56.93 55.54 2gj6 s PHE 30 Cb 0.00 -1.33 0.07 0.00 -1.21 0.00 0.00 43.02 40.55 2gj6 s PHE 30 CO 0.00 0.52 0.61 -1.58 -1.34 0.00 0.00 175.22 173.43 2gj6 s HIS 31 N -1.74 -0.81 1.01 3.49 2.46 -0.92 -0.97 115.29 117.82 2gj6 s HIS 31 Ca 0.26 1.78 -0.17 0.00 0.47 0.00 0.00 55.06 57.40 2gj6 s HIS 31 Cb -0.09 0.39 0.24 0.00 -0.13 0.00 0.00 32.58 32.99 2gj6 s HIS 31 CO 0.17 -0.40 1.10 -0.35 -2.47 0.00 0.00 174.74 172.78 2gj6 n PRO 32 N 3.58 -2.14 0.17 2.88 -0.04 -1.26 -0.14 135.00 138.06 2gj6 n PRO 32 Ca -0.18 -1.72 0.12 0.00 -0.04 0.00 0.00 63.50 61.68 2gj6 n PRO 32 Cb 0.57 -1.38 0.24 0.00 -0.04 0.00 0.00 33.50 32.89 2gj6 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gj6 h SER 33 N -2.12 0.00 -1.81 3.54 4.64 -1.99 -3.44 113.55 112.36 2gj6 h SER 33 Ca -0.38 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.36 2gj6 h SER 33 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2gj6 h SER 33 CO 0.26 0.00 1.53 -0.67 -0.87 0.00 0.00 176.83 177.08 2gj6 n ASP 34 N -2.76 2.93 -3.84 4.97 2.03 -1.26 -4.94 116.55 113.68 2gj6 n ASP 34 Ca 0.04 0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.27 2gj6 n ASP 34 Cb 0.49 -1.54 -0.13 0.00 -0.72 0.00 0.00 41.12 39.23 2gj6 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2gj6 s ILE 35 N 9.22 0.00 -0.23 5.18 2.07 -1.26 -4.65 121.20 131.53 2gj6 s ILE 35 Ca 1.01 -0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 60.17 2gj6 s ILE 35 Cb -0.34 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.06 2gj6 s ILE 35 CO 0.34 -0.01 0.04 -0.70 -1.91 0.00 0.00 174.94 172.70 2gj6 s GLU 36 N 0.01 3.61 -0.07 3.50 2.12 -0.13 -4.97 118.70 122.77 2gj6 s GLU 36 Ca -0.00 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.84 2gj6 s GLU 36 Cb -0.01 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.18 2gj6 s GLU 36 CO 0.00 -0.13 -0.11 0.08 -0.54 0.00 0.00 175.26 174.56 2gj6 s VAL 37 N 1.42 1.09 0.02 3.70 1.01 -1.26 0.05 120.40 126.43 2gj6 s VAL 37 Ca 0.05 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2gj6 s VAL 37 Cb -0.15 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2gj6 s VAL 37 CO 0.02 0.35 -0.08 -1.81 0.00 0.00 0.00 175.10 173.58 2gj6 s ASP 38 N 0.81 0.95 -0.09 3.32 1.01 -0.34 -4.97 116.67 117.36 2gj6 s ASP 38 Ca -0.12 -0.29 -0.16 0.00 0.71 0.00 0.00 52.55 52.69 2gj6 s ASP 38 Cb -0.15 -0.06 -0.05 0.00 1.01 0.00 0.00 42.92 43.67 2gj6 s ASP 38 CO 0.02 -0.00 0.40 -0.76 0.21 0.00 0.00 175.17 175.04 2gj6 s LEU 39 N -0.71 4.34 -0.06 1.23 1.43 -1.26 0.06 118.68 123.71 2gj6 s LEU 39 Ca -0.01 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 2gj6 s LEU 39 Cb -0.05 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2gj6 s LEU 39 CO 0.00 0.14 -0.13 -0.76 0.23 0.00 0.00 176.35 175.83 2gj6 s LEU 40 N -0.01 2.81 -0.22 1.79 1.43 0.16 -1.13 118.68 123.52 2gj6 s LEU 40 Ca 0.23 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2gj6 s LEU 40 Cb -0.15 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2gj6 s LEU 40 CO 0.10 0.33 -0.16 -0.75 0.23 0.00 0.00 176.35 176.10 2gj6 s LYS 41 N -0.61 2.63 -1.61 1.70 2.20 0.10 -1.62 119.74 122.53 2gj6 s LYS 41 Ca 0.09 -1.06 -0.16 0.00 -0.36 0.00 0.00 55.97 54.48 2gj6 s LYS 41 Cb -0.11 -2.71 0.12 0.00 -1.51 0.00 0.00 37.83 33.62 2gj6 s LYS 41 CO 0.01 -0.38 0.87 0.09 -0.36 0.00 0.00 175.35 175.58 2gj6 n ASN 42 N 4.54 -3.87 0.00 1.43 3.02 0.60 -0.99 115.26 120.00 2gj6 n ASN 42 Ca -0.18 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2gj6 n ASN 42 Cb 0.46 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 2gj6 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gj6 n GLY 43 N -1.56 2.67 3.79 7.41 0.00 -1.26 -5.03 105.19 111.21 2gj6 n GLY 43 Ca 0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2gj6 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gj6 s GLU 44 N 0.00 4.46 0.21 1.61 0.41 -0.16 -4.97 118.70 120.27 2gj6 s GLU 44 Ca 0.00 1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 55.39 2gj6 s GLU 44 Cb 0.00 -2.93 -0.09 0.00 -1.78 0.00 0.00 34.13 29.34 2gj6 s GLU 44 CO 0.00 0.38 1.22 0.50 -0.49 0.00 0.00 175.26 176.87 2gj6 s ARG 45 N -1.83 4.48 -0.19 1.61 3.52 -1.26 0.01 118.95 125.28 2gj6 s ARG 45 Ca 0.45 1.93 -0.16 0.00 -0.13 0.00 0.00 55.73 57.82 2gj6 s ARG 45 Cb -0.19 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2gj6 s ARG 45 CO 0.23 -0.09 0.42 0.42 -0.81 0.00 0.00 175.30 175.47 2gj6 s ILE 46 N -0.28 5.19 0.02 4.11 1.01 -0.29 -4.85 121.20 126.11 2gj6 s ILE 46 Ca 0.52 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 61.73 2gj6 s ILE 46 Cb -0.34 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.17 2gj6 s ILE 46 CO 0.39 0.26 1.15 -0.33 0.00 0.00 0.00 174.94 176.40 2gj6 h GLU 47 N 7.28 0.44 -3.46 2.79 5.08 -1.96 -3.40 114.58 121.34 2gj6 h GLU 47 Ca -0.37 -0.42 -0.74 0.00 -1.00 0.00 0.00 59.36 56.84 2gj6 h GLU 47 Cb 1.16 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 2gj6 h GLU 47 CO 0.73 1.07 2.44 1.17 -1.00 0.00 0.00 179.01 183.41 2gj6 n LYS 48 N -4.24 3.59 -4.72 2.33 4.81 -1.26 -4.89 118.16 113.77 2gj6 n LYS 48 Ca -0.09 -3.23 -0.33 0.00 -0.87 0.00 0.00 58.31 53.79 2gj6 n LYS 48 Cb 0.63 -2.96 -0.14 0.00 0.02 0.00 0.00 35.03 32.59 2gj6 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2gj6 s VAL 49 N 0.91 3.24 0.12 3.15 1.01 -1.26 -4.58 120.40 122.99 2gj6 s VAL 49 Ca 0.45 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2gj6 s VAL 49 Cb 0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2gj6 s VAL 49 CO -0.03 0.53 0.08 -1.61 0.00 0.00 0.00 175.10 174.07 2gj6 s GLU 50 N 0.11 2.77 0.18 2.72 2.02 0.84 -4.89 118.70 122.46 2gj6 s GLU 50 Ca -0.05 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.18 2gj6 s GLU 50 Cb -0.14 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2gj6 s GLU 50 CO 0.04 0.52 -0.14 -3.38 0.02 0.00 0.00 175.26 172.32 2gj6 s HIS 51 N -1.55 1.62 0.72 1.61 -3.43 -1.26 0.15 115.29 113.15 2gj6 s HIS 51 Ca 0.29 -0.59 -0.11 0.00 -0.80 0.00 0.00 55.06 53.85 2gj6 s HIS 51 Cb -0.11 -0.77 0.02 0.00 -1.43 0.00 0.00 32.58 30.29 2gj6 s HIS 51 CO 0.21 0.29 1.10 -1.54 -2.00 0.00 0.00 174.74 172.81 2gj6 s SER 52 N -3.15 5.33 0.38 7.38 1.04 -0.61 -5.00 113.70 119.07 2gj6 s SER 52 Ca 0.20 1.11 -0.24 0.00 0.48 0.00 0.00 55.95 57.49 2gj6 s SER 52 Cb -0.01 -1.88 -0.09 0.00 0.10 0.00 0.00 66.02 64.14 2gj6 s SER 52 CO 0.05 -1.41 1.03 -1.81 0.98 0.00 0.00 173.24 172.08 2gj6 s ASP 53 N -4.36 6.89 0.07 7.02 1.01 -1.26 -4.74 116.67 121.30 2gj6 s ASP 53 Ca 0.59 2.00 -0.31 0.00 0.71 0.00 0.00 52.55 55.54 2gj6 s ASP 53 Cb -0.11 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 2gj6 s ASP 53 CO 0.52 -0.40 1.37 -0.22 0.21 0.00 0.00 175.17 176.65 2gj6 s LEU 54 N -2.50 4.35 0.00 1.23 2.96 -1.26 -4.91 118.68 118.55 2gj6 s LEU 54 Ca 0.56 2.22 0.06 0.00 -0.22 0.00 0.00 54.13 56.75 2gj6 s LEU 54 Cb -0.21 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 2gj6 s LEU 54 CO 0.27 -0.65 0.22 -0.24 -1.32 0.00 0.00 176.35 174.62 2gj6 n SER 55 N 4.43 0.09 -4.01 3.68 2.88 -1.19 -5.03 113.62 114.46 2gj6 n SER 55 Ca 0.12 -3.08 -0.09 0.00 -1.33 0.00 0.00 58.87 54.49 2gj6 n SER 55 Cb 0.43 1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 65.15 2gj6 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2gj6 s PHE 56 N -3.18 0.48 0.16 0.66 -0.12 -1.26 -2.11 117.98 112.61 2gj6 s PHE 56 Ca 0.30 -0.91 0.03 0.00 -0.05 0.00 0.00 56.93 56.30 2gj6 s PHE 56 Cb 0.01 -0.25 0.03 0.00 -0.63 0.00 0.00 43.02 42.18 2gj6 s PHE 56 CO 0.22 -0.54 0.22 0.43 -0.05 0.00 0.00 175.22 175.50 2gj6 n SER 57 N -0.06 0.56 -0.15 1.98 7.64 -0.42 -4.95 113.62 118.22 2gj6 n SER 57 Ca -0.11 -1.41 0.12 0.00 1.01 0.00 0.00 58.87 58.48 2gj6 n SER 57 Cb 0.63 -0.12 0.46 0.00 -1.01 0.00 0.00 64.21 64.17 2gj6 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gj6 h LYS 58 N 0.00 0.50 -0.56 1.43 3.64 -2.03 -0.82 116.57 118.73 2gj6 h LYS 58 Ca -0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2gj6 h LYS 58 Cb 0.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2gj6 h LYS 58 CO 0.10 0.33 0.00 -0.40 -2.27 0.00 0.00 179.45 177.21 2gj6 n ASP 59 N -4.49 2.34 0.00 4.20 5.68 -1.26 -4.91 116.55 118.11 2gj6 n ASP 59 Ca 0.12 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2gj6 n ASP 59 Cb 0.41 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 2gj6 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2gj6 n TRP 60 N 0.35 0.00 -2.72 2.11 7.02 -0.31 -5.00 117.44 118.88 2gj6 n TRP 60 Ca 0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.23 2gj6 n TRP 60 Cb 0.45 -1.12 -0.06 0.00 -2.42 0.00 0.00 31.31 28.16 2gj6 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gj6 s SER 61 N -2.21 7.06 0.51 -0.99 1.04 -1.26 -4.69 113.70 113.15 2gj6 s SER 61 Ca 0.00 1.86 -0.06 0.00 0.48 0.00 0.00 55.95 58.23 2gj6 s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2gj6 s SER 61 CO 0.00 -0.27 0.83 -0.36 0.98 0.00 0.00 173.24 174.42 2gj6 s PHE 62 N -1.77 3.58 0.08 5.02 0.08 -0.14 -1.31 117.98 123.52 2gj6 s PHE 62 Ca 0.55 0.90 -0.08 0.00 0.12 0.00 0.00 56.93 58.43 2gj6 s PHE 62 Cb -0.17 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 2gj6 s PHE 62 CO 0.22 -0.35 0.16 1.52 -0.10 0.00 0.00 175.22 176.67 2gj6 s TYR 63 N -2.82 0.20 -0.29 0.36 -0.85 -0.90 -0.68 117.35 112.37 2gj6 s TYR 63 Ca 0.49 -0.64 -0.16 0.00 -0.52 0.00 0.00 57.07 56.24 2gj6 s TYR 63 Cb -0.10 -0.10 0.15 0.00 0.38 0.00 0.00 41.96 42.28 2gj6 s TYR 63 CO 0.46 -0.53 0.97 -1.17 -1.52 0.00 0.00 175.55 173.76 2gj6 s LEU 64 N -2.87 -0.53 -0.17 -3.49 2.96 -0.48 -3.20 118.68 110.90 2gj6 s LEU 64 Ca 0.05 0.83 -0.06 0.00 -0.22 0.00 0.00 54.13 54.74 2gj6 s LEU 64 Cb 0.05 1.75 -0.03 0.00 0.50 0.00 0.00 46.19 48.46 2gj6 s LEU 64 CO -0.11 -0.13 0.02 -0.22 -1.32 0.00 0.00 176.35 174.59 2gj6 s LEU 65 N 1.49 3.57 -0.11 -0.68 2.96 -1.26 -1.33 118.68 123.31 2gj6 s LEU 65 Ca -0.08 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2gj6 s LEU 65 Cb -0.04 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2gj6 s LEU 65 CO -0.15 0.18 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.68 2gj6 s TYR 66 N 0.29 2.94 0.03 5.38 1.51 0.17 -1.57 117.35 126.09 2gj6 s TYR 66 Ca 0.00 -0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2gj6 s TYR 66 Cb -0.13 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2gj6 s TYR 66 CO 0.01 0.08 0.08 1.52 -1.11 0.00 0.00 175.55 176.13 2gj6 s TYR 67 N -0.12 0.20 -0.07 2.71 -0.85 0.12 -0.49 117.35 118.86 2gj6 s TYR 67 Ca 0.01 -0.49 -0.11 0.00 -0.52 0.00 0.00 57.07 55.96 2gj6 s TYR 67 Cb -0.13 -0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.08 2gj6 s TYR 67 CO 0.03 -0.34 0.27 0.99 -1.52 0.00 0.00 175.55 174.98 2gj6 s THR 68 N -2.43 0.02 0.24 -3.49 2.01 -0.87 -0.11 115.64 111.01 2gj6 s THR 68 Ca -0.07 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2gj6 s THR 68 Cb -0.02 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 71.94 2gj6 s THR 68 CO -0.04 -0.10 1.39 -0.70 -0.69 0.00 0.00 174.62 174.48 2gj6 s GLU 69 N -0.34 4.32 0.13 4.92 2.12 -1.26 -0.69 118.70 127.89 2gj6 s GLU 69 Ca -0.05 2.21 -0.13 0.00 0.36 0.00 0.00 54.97 57.36 2gj6 s GLU 69 Cb -0.03 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.24 2gj6 s GLU 69 CO 0.01 -0.35 0.34 -0.59 -0.54 0.00 0.00 175.26 174.14 2gj6 s PHE 70 N -0.03 -0.01 -0.35 5.30 -0.71 -0.33 -4.87 117.98 116.98 2gj6 s PHE 70 Ca 0.58 -0.35 0.02 0.00 -1.04 0.00 0.00 56.93 56.14 2gj6 s PHE 70 Cb -0.40 0.14 0.11 0.00 -1.21 0.00 0.00 43.02 41.66 2gj6 s PHE 70 CO 0.42 -0.69 0.10 0.99 -1.34 0.00 0.00 175.22 174.70 2gj6 s THR 71 N -3.85 1.76 0.45 -4.49 2.01 -1.26 -0.45 115.64 109.80 2gj6 s THR 71 Ca 0.06 -2.13 -0.25 0.00 0.31 0.00 0.00 61.69 59.68 2gj6 s THR 71 Cb 0.02 -2.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.16 2gj6 s THR 71 CO -0.09 -0.67 1.45 -0.81 -0.69 0.00 0.00 174.62 173.81 2gj6 n PRO 72 N 4.30 2.31 -2.28 4.92 -0.04 -1.26 -4.77 135.00 138.18 2gj6 n PRO 72 Ca 0.02 0.82 -0.03 0.00 -0.04 0.00 0.00 63.50 64.28 2gj6 n PRO 72 Cb 0.41 -2.65 -0.01 0.00 -0.04 0.00 0.00 33.50 31.21 2gj6 n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gj6 n THR 73 N -0.17 0.00 0.07 0.52 -2.24 -1.26 -1.58 114.28 109.62 2gj6 n THR 73 Ca 0.05 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 2gj6 n THR 73 Cb 0.41 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 2gj6 n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2gj6 h GLU 74 N 0.00 0.39 0.00 -0.78 4.39 -1.99 -3.39 114.58 113.20 2gj6 h GLU 74 Ca -0.04 -0.61 -0.19 0.00 0.34 0.00 0.00 59.36 58.86 2gj6 h GLU 74 Cb 0.14 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2gj6 h GLU 74 CO 0.06 1.28 -1.07 1.57 -1.16 0.00 0.00 179.01 179.69 2gj6 h LYS 75 N -0.19 0.00 -6.29 2.33 2.10 -2.02 -3.45 116.57 109.05 2gj6 h LYS 75 Ca -0.16 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.94 2gj6 h LYS 75 Cb 1.73 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.04 2gj6 h LYS 75 CO 0.18 0.65 0.76 -0.51 -2.00 0.00 0.00 179.45 178.53 2gj6 s ASP 76 N -6.37 7.00 -0.08 7.07 1.01 -1.26 -5.02 116.67 119.02 2gj6 s ASP 76 Ca 0.00 1.84 -0.15 0.00 0.71 0.00 0.00 52.55 54.95 2gj6 s ASP 76 Cb 0.09 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 2gj6 s ASP 76 CO 0.80 -0.64 0.37 -1.61 0.21 0.00 0.00 175.17 174.30 2gj6 s GLU 77 N 2.50 4.08 -0.03 8.23 0.41 -1.26 -4.72 118.70 127.91 2gj6 s GLU 77 Ca 0.57 0.30 0.07 0.00 -0.41 0.00 0.00 54.97 55.50 2gj6 s GLU 77 Cb -0.25 -3.33 -0.02 0.00 -1.78 0.00 0.00 34.13 28.75 2gj6 s GLU 77 CO 0.21 0.44 -0.25 0.71 -0.49 0.00 0.00 175.26 175.88 2gj6 s TYR 78 N -0.23 2.34 0.19 1.61 2.02 -1.26 -0.29 117.35 121.73 2gj6 s TYR 78 Ca 0.22 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 2gj6 s TYR 78 Cb -0.15 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2gj6 s TYR 78 CO 0.09 -0.10 0.30 0.00 -1.57 0.00 0.00 175.55 174.27 2gj6 s ALA 79 N -0.45 0.16 -0.08 3.71 0.00 -0.64 0.73 121.76 125.19 2gj6 s ALA 79 Ca 0.05 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2gj6 s ALA 79 Cb -0.11 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 2gj6 s ALA 79 CO 0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 175.76 174.86 2gj6 s ARG 81 N 0.24 3.35 -0.09 0.00 3.00 0.11 -1.01 118.95 124.55 2gj6 s ARG 81 Ca -0.14 -0.65 0.03 0.00 -1.00 0.00 0.00 55.73 53.98 2gj6 s ARG 81 Cb -0.16 -2.90 0.00 0.00 0.00 0.00 0.00 34.95 31.89 2gj6 s ARG 81 CO 0.07 -0.11 -0.19 0.08 0.00 0.00 0.00 175.30 175.14 2gj6 s VAL 82 N 1.23 1.70 -0.02 7.11 1.01 0.73 -1.20 120.40 130.97 2gj6 s VAL 82 Ca 0.03 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2gj6 s VAL 82 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2gj6 s VAL 82 CO -0.03 0.48 -0.21 0.21 0.00 0.00 0.00 175.10 175.56 2gj6 s ASN 83 N 0.46 2.45 0.06 3.32 3.04 0.11 -0.70 114.94 123.67 2gj6 s ASN 83 Ca -0.17 -0.38 -0.27 0.00 0.04 0.00 0.00 52.86 52.08 2gj6 s ASN 83 Cb -0.17 -0.27 0.07 0.00 -1.54 0.00 0.00 41.25 39.34 2gj6 s ASN 83 CO 0.07 0.26 0.64 -2.28 -3.04 0.00 0.00 177.10 172.75 2gj6 s HIS 84 N -0.49 -0.60 0.52 0.43 2.46 -1.26 -0.96 115.29 115.40 2gj6 s HIS 84 Ca 0.08 0.72 0.24 0.00 0.47 0.00 0.00 55.06 56.57 2gj6 s HIS 84 Cb -0.08 0.49 1.37 0.00 -0.13 0.00 0.00 32.58 34.22 2gj6 s HIS 84 CO -0.01 -0.73 2.00 -0.39 -2.47 0.00 0.00 174.74 173.14 2gj6 h VAL 85 N 2.49 0.75 -0.01 0.89 -1.51 -1.95 -2.51 116.25 114.40 2gj6 h VAL 85 Ca -0.31 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2gj6 h VAL 85 Cb 1.23 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2gj6 h VAL 85 CO 0.38 0.01 0.00 0.35 -1.23 0.00 0.00 177.57 177.08 2gj6 n THR 86 N -4.39 0.01 -4.91 7.19 -2.24 -1.26 -4.75 114.28 103.93 2gj6 n THR 86 Ca 0.09 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 2gj6 n THR 86 Cb 0.58 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.40 2gj6 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gj6 s LEU 87 N -1.60 2.45 0.31 3.22 1.43 -0.95 -4.96 118.68 118.58 2gj6 s LEU 87 Ca 0.29 -0.43 0.13 0.00 -1.03 0.00 0.00 54.13 53.09 2gj6 s LEU 87 Cb 0.14 -1.53 0.49 0.00 0.03 0.00 0.00 46.19 45.31 2gj6 s LEU 87 CO 0.23 0.15 1.67 0.77 0.23 0.00 0.00 176.35 179.39 2gj6 h SER 88 N 6.78 0.00 -5.27 2.29 4.64 -1.87 -3.45 113.55 116.68 2gj6 h SER 88 Ca -0.24 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 2gj6 h SER 88 Cb 1.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 2gj6 h SER 88 CO 0.53 0.52 -0.66 -1.10 -0.87 0.00 0.00 176.83 175.25 2gj6 s GLN 89 N -3.65 0.68 0.66 4.77 -0.21 -1.26 -5.15 119.66 115.51 2gj6 s GLN 89 Ca -0.01 -1.25 -0.16 0.00 0.02 0.00 0.00 55.36 53.96 2gj6 s GLN 89 Cb 0.12 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.36 2gj6 s GLN 89 CO 0.73 -0.15 1.18 -1.25 -2.12 0.00 0.00 175.29 173.69 2gj6 s PRO 90 N -3.94 2.61 -0.07 2.91 0.04 -1.26 -4.94 135.00 130.35 2gj6 s PRO 90 Ca 0.10 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 2gj6 s PRO 90 Cb 0.08 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2gj6 s PRO 90 CO -0.08 -1.45 0.53 0.21 0.04 0.00 0.00 177.00 176.25 2gj6 s LYS 91 N -3.75 4.31 -0.23 4.56 2.20 0.12 -4.92 119.74 122.04 2gj6 s LYS 91 Ca 0.73 0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 56.89 2gj6 s LYS 91 Cb -0.27 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2gj6 s LYS 91 CO 0.40 0.25 -0.05 0.42 -0.36 0.00 0.00 175.35 176.01 2gj6 s ILE 92 N 0.28 3.24 -0.21 5.43 1.01 -1.26 -0.19 121.20 129.50 2gj6 s ILE 92 Ca 0.29 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2gj6 s ILE 92 Cb -0.16 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 2gj6 s ILE 92 CO 0.13 0.37 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 2gj6 s VAL 93 N 1.44 3.18 0.31 2.92 1.01 -0.18 -4.96 120.40 124.12 2gj6 s VAL 93 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 2gj6 s VAL 93 Cb -0.15 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 2gj6 s VAL 93 CO -0.04 0.45 0.95 -0.54 0.00 0.00 0.00 175.10 175.91 2gj6 s LYS 94 N 1.38 4.63 0.01 2.72 1.02 -1.26 -0.62 119.74 127.61 2gj6 s LYS 94 Ca 0.05 1.36 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 2gj6 s LYS 94 Cb -0.14 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.22 2gj6 s LYS 94 CO -0.04 0.32 1.56 -0.46 -0.92 0.00 0.00 175.35 175.81 2gj6 s TRP 95 N -1.54 2.45 -0.15 3.18 -0.00 0.22 -4.88 118.94 118.22 2gj6 s TRP 95 Ca 0.49 0.47 0.01 0.00 -0.00 0.00 0.00 56.10 57.06 2gj6 s TRP 95 Cb -0.20 -3.84 0.00 0.00 -0.00 0.00 0.00 33.47 29.43 2gj6 s TRP 95 CO 0.25 -3.34 -0.17 0.34 -0.00 0.00 0.00 176.95 174.04 2gj6 s ASP 96 N 2.48 3.53 0.27 5.86 -1.08 -1.26 -4.79 116.67 121.67 2gj6 s ASP 96 Ca 0.70 -0.50 0.14 0.00 -0.52 0.00 0.00 52.55 52.36 2gj6 s ASP 96 Cb -0.35 -1.54 0.22 0.00 -1.46 0.00 0.00 42.92 39.79 2gj6 s ASP 96 CO 0.29 0.08 1.51 0.08 0.52 0.00 0.00 175.17 177.65 2gj6 h ARG 97 N 7.34 0.00 -0.39 4.34 0.11 -1.95 -2.64 114.38 121.20 2gj6 h ARG 97 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2gj6 h ARG 97 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2gj6 h ARG 97 CO 0.57 0.58 0.00 -0.25 0.10 0.00 0.00 179.97 180.97 2gj6 n ASP 98 N -3.39 0.39 0.00 0.08 9.92 -1.26 -4.92 116.55 117.37 2gj6 n ASP 98 Ca 0.01 -1.56 0.00 0.00 -0.53 0.00 0.00 54.79 52.70 2gj6 n ASP 98 Cb 0.70 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 2gj6 n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56