#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj9 s VAL 12 N 0.00 3.06 -0.16 0.00 0.11 -0.83 -4.95 120.40 117.63 3gj9 s VAL 12 Ca 0.00 -1.58 -0.04 0.00 -2.93 0.00 0.00 61.98 57.43 3gj9 s VAL 12 Cb 0.00 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 3gj9 s VAL 12 CO 0.00 -0.01 -0.02 0.54 -3.33 0.00 0.00 175.10 172.27 3gj9 s VAL 13 N -1.46 3.98 0.06 2.04 0.11 -1.26 -1.23 120.40 122.63 3gj9 s VAL 13 Ca 0.22 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.91 3gj9 s VAL 13 Cb -0.10 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 3gj9 s VAL 13 CO 0.13 0.48 0.05 -1.10 -3.33 0.00 0.00 175.10 171.33 3gj9 s GLN 14 N 0.43 0.65 -0.08 1.54 -0.21 0.17 -4.98 119.66 117.17 3gj9 s GLN 14 Ca -0.03 -1.02 0.03 0.00 0.02 0.00 0.00 55.36 54.35 3gj9 s GLN 14 Cb -0.14 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 3gj9 s GLN 14 CO 0.03 -0.15 -0.15 -0.98 -2.12 0.00 0.00 175.29 171.91 3gj9 s ARG 15 N -3.49 2.85 -0.07 2.91 1.70 -1.26 0.10 118.95 121.69 3gj9 s ARG 15 Ca 0.03 -0.72 0.05 0.00 -0.47 0.00 0.00 55.73 54.61 3gj9 s ARG 15 Cb 0.04 -2.44 -0.01 0.00 -0.57 0.00 0.00 34.95 31.97 3gj9 s ARG 15 CO -0.09 0.43 -0.22 0.08 -1.08 0.00 0.00 175.30 174.43 3gj9 s VAL 16 N -0.23 2.33 -0.23 4.99 1.01 0.22 -4.98 120.40 123.51 3gj9 s VAL 16 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3gj9 s VAL 16 Cb -0.13 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.39 3gj9 s VAL 16 CO 0.03 0.56 -0.10 -0.70 0.00 0.00 0.00 175.10 174.89 3gj9 s GLU 17 N -0.07 2.89 -0.19 2.72 2.12 -1.26 0.46 118.70 125.37 3gj9 s GLU 17 Ca -0.06 -0.93 -0.02 0.00 0.36 0.00 0.00 54.97 54.33 3gj9 s GLU 17 Cb -0.14 -2.86 -0.00 0.00 0.26 0.00 0.00 34.13 31.38 3gj9 s GLU 17 CO 0.05 -0.34 -0.09 0.42 -0.54 0.00 0.00 175.26 174.76 3gj9 s ILE 18 N 1.31 3.04 -0.24 -3.70 1.01 -0.50 -4.81 121.20 117.32 3gj9 s ILE 18 Ca 0.01 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 3gj9 s ILE 18 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3gj9 s ILE 18 CO -0.07 0.47 0.67 -1.00 0.00 0.00 0.00 174.94 175.01 3gj9 s HIS 19 N 1.18 3.30 0.78 3.97 3.76 -1.26 -1.69 115.29 125.33 3gj9 s HIS 19 Ca 0.02 0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 55.68 3gj9 s HIS 19 Cb -0.14 -2.87 0.07 0.00 1.11 0.00 0.00 32.58 30.74 3gj9 s HIS 19 CO -0.03 -0.31 1.21 1.63 -0.85 0.00 0.00 174.74 176.38 3gj9 n LYS 20 N 5.65 0.34 -3.63 1.40 5.02 0.15 -4.86 118.16 122.23 3gj9 n LYS 20 Ca 0.00 0.19 -0.38 0.00 -2.02 0.00 0.00 58.31 56.11 3gj9 n LYS 20 Cb 0.49 -2.44 -0.11 0.00 -0.02 0.00 0.00 35.03 32.94 3gj9 n LYS 20 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gj9 s LEU 21 N -5.34 3.92 -0.84 -0.35 1.98 0.12 -4.87 118.68 113.30 3gj9 s LEU 21 Ca 0.75 -0.03 -0.23 0.00 -2.89 0.00 0.00 54.13 51.73 3gj9 s LEU 21 Cb -0.31 -2.08 0.07 0.00 0.66 0.00 0.00 46.19 44.53 3gj9 s LEU 21 CO 0.49 -0.03 1.21 -0.13 -1.89 0.00 0.00 176.35 175.99 3gj9 s ARG 22 N 1.65 3.38 -0.75 1.98 0.52 -1.26 -0.46 118.95 124.01 3gj9 s ARG 22 Ca 0.07 -1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 54.12 3gj9 s ARG 22 Cb -0.16 -4.70 0.20 0.00 0.52 0.00 0.00 34.95 30.81 3gj9 s ARG 22 CO 0.09 -1.99 0.70 -1.14 0.02 0.00 0.00 175.30 172.98 3gj9 s GLN 23 N 4.34 3.44 4.39 3.54 -0.44 0.76 -4.91 119.66 130.78 3gj9 s GLN 23 Ca 0.34 -2.28 0.00 0.00 -2.50 0.00 0.00 55.36 50.92 3gj9 s GLN 23 Cb -0.07 -4.39 0.00 0.00 -1.64 0.00 0.00 33.01 26.91 3gj9 s GLN 23 CO 0.01 -1.30 0.00 0.41 0.50 0.00 0.00 175.29 174.91 3gj9 n GLY 24 N 4.28 1.06 0.35 2.59 0.00 -1.26 -1.09 105.19 111.12 3gj9 n GLY 24 Ca 0.07 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.47 3gj9 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gj9 n GLU 25 N 0.00 0.95 -4.05 1.61 -0.58 -1.26 -5.01 120.64 112.30 3gj9 n GLU 25 Ca 0.00 -0.95 -0.30 0.00 -0.42 0.00 0.00 57.16 55.48 3gj9 n GLU 25 Cb 0.00 -1.16 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 3gj9 n GLU 25 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3gj9 s ASN 26 N -1.01 5.56 -0.25 1.62 0.01 -0.25 -5.10 114.94 115.53 3gj9 s ASN 26 Ca 0.11 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.25 3gj9 s ASN 26 Cb 0.08 -1.50 0.03 0.00 0.41 0.00 0.00 41.25 40.28 3gj9 s ASN 26 CO 0.16 0.17 -0.08 -0.76 -1.51 0.00 0.00 177.10 175.08 3gj9 s LEU 27 N -2.44 3.18 -0.11 0.60 1.43 -1.26 -0.17 118.68 119.92 3gj9 s LEU 27 Ca 0.30 -0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 3gj9 s LEU 27 Cb -0.12 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3gj9 s LEU 27 CO 0.22 -0.14 0.07 -0.63 0.23 0.00 0.00 176.35 176.10 3gj9 s ILE 28 N 1.28 4.86 -0.16 -0.59 1.01 0.39 -4.83 121.20 123.16 3gj9 s ILE 28 Ca -0.01 -0.04 0.15 0.00 0.00 0.00 0.00 60.65 60.75 3gj9 s ILE 28 Cb -0.17 -3.09 -0.21 0.00 0.01 0.00 0.00 42.46 39.00 3gj9 s ILE 28 CO -0.05 0.60 0.07 0.18 0.00 0.00 0.00 174.94 175.73 3gj9 n LEU 29 N 2.23 0.00 -0.31 2.97 4.77 -1.26 0.12 117.00 125.52 3gj9 n LEU 29 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3gj9 n LEU 29 Cb 0.54 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3gj9 n LEU 29 CO 0.30 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3gj9 n GLY 30 N 1.97 0.90 3.71 -0.72 0.00 -1.26 -1.00 105.19 108.80 3gj9 n GLY 30 Ca -0.26 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 3gj9 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gj9 s PHE 31 N -2.63 -0.29 0.14 1.61 -0.12 -1.26 -1.67 117.98 113.76 3gj9 s PHE 31 Ca 0.00 -0.08 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 3gj9 s PHE 31 Cb 0.00 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 3gj9 s PHE 31 CO 0.00 -1.06 -0.18 -1.12 -0.05 0.00 0.00 175.22 172.82 3gj9 s SER 32 N -2.86 2.46 0.20 1.98 0.01 0.02 -4.95 113.70 110.57 3gj9 s SER 32 Ca 0.08 -0.81 0.09 0.00 1.31 0.00 0.00 55.95 56.62 3gj9 s SER 32 Cb -0.04 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 3gj9 s SER 32 CO 0.00 -0.04 -0.16 0.27 0.41 0.00 0.00 173.24 173.72 3gj9 s ILE 33 N -1.86 1.86 0.03 1.44 -4.36 -1.26 -0.72 121.20 116.33 3gj9 s ILE 33 Ca 0.12 -2.15 -0.10 0.00 -0.26 0.00 0.00 60.65 58.26 3gj9 s ILE 33 Cb -0.07 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.64 3gj9 s ILE 33 CO 0.05 -0.48 0.20 -0.83 0.24 0.00 0.00 174.94 174.11 3gj9 s GLY 34 N -3.14 0.02 0.00 6.27 0.00 -0.56 -4.83 107.32 105.08 3gj9 s GLY 34 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3gj9 s GLY 34 CO 0.08 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.40 3gj9 n GLY 35 N 0.83 0.27 0.00 0.20 0.00 -1.26 -0.72 105.19 104.51 3gj9 n GLY 35 Ca -0.20 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.52 3gj9 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj9 n GLY 36 N -0.33 3.24 0.32 -0.02 0.00 0.11 -4.00 105.19 104.51 3gj9 n GLY 36 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3gj9 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gj9 h ILE 37 N 0.00 0.91 -0.07 -0.61 3.07 -1.33 -0.65 117.51 118.83 3gj9 h ILE 37 Ca 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.37 3gj9 h ILE 37 Cb 0.00 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 37.32 3gj9 h ILE 37 CO 0.00 0.02 0.00 -0.90 -1.05 0.00 0.00 178.15 176.22 3gj9 n ASP 38 N -4.47 1.16 -4.27 2.16 5.75 -1.26 -4.83 116.55 110.79 3gj9 n ASP 38 Ca 0.04 -2.07 -0.17 0.00 -0.01 0.00 0.00 54.79 52.58 3gj9 n ASP 38 Cb 0.30 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 39.92 3gj9 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3gj9 s GLN 39 N -1.42 1.11 -0.65 0.11 -1.52 -0.25 -4.96 119.66 112.07 3gj9 s GLN 39 Ca 0.06 -1.36 -0.27 0.00 -1.95 0.00 0.00 55.36 51.83 3gj9 s GLN 39 Cb 0.04 -0.91 0.01 0.00 -0.22 0.00 0.00 33.01 31.93 3gj9 s GLN 39 CO 0.02 0.16 1.49 0.34 -0.25 0.00 0.00 175.29 177.05 3gj9 s ASP 40 N -2.79 5.90 0.66 5.90 2.15 -1.26 -4.84 116.67 122.38 3gj9 s ASP 40 Ca 0.14 -0.00 0.42 0.00 0.43 0.00 0.00 52.55 53.54 3gj9 s ASP 40 Cb -0.02 -2.55 2.34 0.00 -0.30 0.00 0.00 42.92 42.39 3gj9 s ASP 40 CO 0.03 -1.95 2.35 1.55 -0.17 0.00 0.00 175.17 176.98 3gj9 h PRO 41 N 11.74 0.00 0.00 4.34 0.13 -1.83 -2.67 132.00 143.71 3gj9 h PRO 41 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gj9 h PRO 41 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gj9 h PRO 41 CO 1.23 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.87 3gj9 n SER 42 N -3.19 0.56 -4.56 1.44 3.41 -1.10 -4.55 113.62 105.64 3gj9 n SER 42 Ca -0.03 0.67 -0.36 0.00 -0.26 0.00 0.00 58.87 58.89 3gj9 n SER 42 Cb 0.08 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 3gj9 n SER 42 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3gj9 s GLN 43 N -3.35 2.95 0.00 4.33 -0.21 -1.01 -4.59 119.66 117.78 3gj9 s GLN 43 Ca 0.02 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.16 3gj9 s GLN 43 Cb 0.08 -4.78 0.00 0.00 1.00 0.00 0.00 33.01 29.31 3gj9 s GLN 43 CO 0.31 -2.68 0.00 0.27 -2.12 0.00 0.00 175.29 171.07 3gj9 n ASN 44 N 11.51 -0.52 -3.94 5.90 6.94 -1.26 -4.93 115.26 128.96 3gj9 n ASN 44 Ca 0.26 0.26 -0.29 0.00 -0.02 0.00 0.00 54.58 54.79 3gj9 n ASN 44 Cb 0.50 -0.74 0.28 0.00 -2.36 0.00 0.00 39.78 37.46 3gj9 n ASN 44 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 3gj9 n PRO 45 N -1.73 -3.61 -0.37 -0.53 -0.02 -1.26 -4.79 135.00 122.68 3gj9 n PRO 45 Ca 0.00 -1.05 0.12 0.00 -2.02 0.00 0.00 63.50 60.55 3gj9 n PRO 45 Cb 0.26 -2.04 0.32 0.00 -0.02 0.00 0.00 33.50 32.03 3gj9 n PRO 45 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gj9 n PHE 46 N -5.39 0.98 -2.92 6.00 3.72 -1.26 -4.87 117.46 113.72 3gj9 n PHE 46 Ca 0.07 -0.49 -0.41 0.00 -0.05 0.00 0.00 57.45 56.57 3gj9 n PHE 46 Cb 0.57 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.07 3gj9 n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3gj9 s SER 47 N -1.01 7.03 0.11 4.37 1.04 -1.26 -4.94 113.70 119.03 3gj9 s SER 47 Ca 0.49 1.25 -0.21 0.00 0.48 0.00 0.00 55.95 57.96 3gj9 s SER 47 Cb 0.26 -2.46 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 3gj9 s SER 47 CO 0.34 -0.28 1.75 1.05 0.98 0.00 0.00 173.24 177.08 3gj9 h GLU 48 N 7.05 0.17 -5.99 4.02 9.09 -2.00 -3.39 114.58 123.53 3gj9 h GLU 48 Ca -0.35 -0.01 -0.58 0.00 0.05 0.00 0.00 59.36 58.46 3gj9 h GLU 48 Cb 1.17 -0.04 -0.07 0.00 -1.65 0.00 0.00 28.75 28.16 3gj9 h GLU 48 CO 0.79 0.12 0.67 0.34 0.05 0.00 0.00 179.01 180.99 3gj9 s ASP 49 N -5.32 7.01 -0.00 3.06 -1.08 -1.26 -4.92 116.67 114.16 3gj9 s ASP 49 Ca -0.13 1.27 0.01 0.00 -0.52 0.00 0.00 52.55 53.18 3gj9 s ASP 49 Cb 0.07 -2.50 0.04 0.00 -1.46 0.00 0.00 42.92 39.07 3gj9 s ASP 49 CO 0.68 -0.60 1.03 0.29 0.52 0.00 0.00 175.17 177.08 3gj9 n LYS 50 N 6.13 1.10 -0.01 4.34 4.76 -1.26 -2.75 118.16 130.46 3gj9 n LYS 50 Ca 0.09 -0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.45 3gj9 n LYS 50 Cb 0.47 -1.04 -0.14 0.00 -1.84 0.00 0.00 35.03 32.47 3gj9 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3gj9 n THR 51 N -0.36 0.10 -1.61 -0.18 -2.24 -1.26 -2.69 114.28 106.04 3gj9 n THR 51 Ca 0.01 -0.44 -0.47 0.00 -2.27 0.00 0.00 64.05 60.88 3gj9 n THR 51 Cb 0.04 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 3gj9 n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gj9 n ASP 52 N -2.17 3.19 -1.43 3.42 4.64 -1.11 -4.78 116.55 118.32 3gj9 n ASP 52 Ca -0.05 0.65 0.08 0.00 -1.38 0.00 0.00 54.79 54.08 3gj9 n ASP 52 Cb 0.52 -1.41 0.34 0.00 -1.04 0.00 0.00 41.12 39.53 3gj9 n ASP 52 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3gj9 n LYS 53 N 7.61 3.99 -0.46 -0.67 5.02 -1.26 -4.68 118.16 127.71 3gj9 n LYS 53 Ca 0.28 -3.02 -0.24 0.00 -2.02 0.00 0.00 58.31 53.31 3gj9 n LYS 53 Cb 0.33 -2.08 0.22 0.00 -0.02 0.00 0.00 35.03 33.49 3gj9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gj9 n GLY 54 N 0.09 -3.42 3.80 0.72 0.00 -1.26 0.10 105.19 105.21 3gj9 n GLY 54 Ca 0.25 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 3gj9 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gj9 s ILE 55 N -2.19 5.27 0.08 -0.61 -1.09 -1.26 -2.63 121.20 118.78 3gj9 s ILE 55 Ca 0.55 0.56 0.05 0.00 -2.23 0.00 0.00 60.65 59.58 3gj9 s ILE 55 Cb -0.08 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3gj9 s ILE 55 CO 0.45 0.51 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.21 3gj9 s TYR 56 N -0.41 1.27 -0.38 3.97 2.02 0.10 -0.97 117.35 122.97 3gj9 s TYR 56 Ca 0.18 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 3gj9 s TYR 56 Cb -0.14 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.73 3gj9 s TYR 56 CO 0.07 0.08 0.87 0.08 -1.57 0.00 0.00 175.55 175.08 3gj9 s VAL 57 N -1.39 4.63 -0.60 0.71 1.01 0.71 -1.49 120.40 123.97 3gj9 s VAL 57 Ca -0.00 1.01 0.22 0.00 0.00 0.00 0.00 61.98 63.21 3gj9 s VAL 57 Cb -0.09 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 3gj9 s VAL 57 CO 0.02 -0.54 0.83 0.35 0.00 0.00 0.00 175.10 175.77 3gj9 n THR 58 N 5.97 0.06 -3.69 3.92 -2.24 0.11 0.67 114.28 119.07 3gj9 n THR 58 Ca 0.05 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 3gj9 n THR 58 Cb 0.48 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 3gj9 n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gj9 s ARG 59 N -3.21 0.71 -0.23 -0.78 0.52 -1.19 -4.88 118.95 109.89 3gj9 s ARG 59 Ca 0.02 0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 3gj9 s ARG 59 Cb 0.15 0.33 0.08 0.00 0.52 0.00 0.00 34.95 36.03 3gj9 s ARG 59 CO 0.86 -0.16 0.10 0.08 0.02 0.00 0.00 175.30 176.19 3gj9 s VAL 60 N -0.61 0.02 0.35 3.52 1.01 -1.26 -0.80 120.40 122.63 3gj9 s VAL 60 Ca -0.07 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3gj9 s VAL 60 Cb -0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 36.38 35.40 3gj9 s VAL 60 CO 0.04 -0.48 1.50 -1.20 0.00 0.00 0.00 175.10 174.96 3gj9 n SER 61 N 5.23 3.71 -4.73 3.32 7.64 -0.67 -4.93 113.62 123.19 3gj9 n SER 61 Ca -0.07 1.21 -0.42 0.00 1.01 0.00 0.00 58.87 60.61 3gj9 n SER 61 Cb 0.46 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 3gj9 n SER 61 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3gj9 s GLU 62 N -1.68 4.32 -1.23 1.43 0.41 -1.26 -2.33 118.70 118.34 3gj9 s GLU 62 Ca 0.56 2.16 0.00 0.00 -0.41 0.00 0.00 54.97 57.28 3gj9 s GLU 62 Cb -0.49 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 28.67 3gj9 s GLU 62 CO 0.60 -0.39 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 3gj9 n GLY 63 N 2.84 1.24 3.98 -1.39 0.00 -1.26 -5.00 105.19 105.61 3gj9 n GLY 63 Ca 0.09 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3gj9 n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gj9 s GLY 64 N -2.71 1.79 0.10 -0.02 0.00 -0.99 -4.94 107.32 100.56 3gj9 s GLY 64 Ca 0.00 -1.53 -0.23 0.00 0.00 0.00 0.00 44.72 42.95 3gj9 s GLY 64 CO 0.00 -1.12 1.71 -2.55 0.00 0.00 0.00 173.10 171.14 3gj9 h PRO 65 N -0.19 -0.12 -0.43 2.90 0.11 -1.87 -2.17 132.00 130.23 3gj9 h PRO 65 Ca -0.39 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.76 3gj9 h PRO 65 Cb 1.28 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3gj9 h PRO 65 CO 0.47 -0.08 0.22 0.00 -0.21 0.00 0.00 178.00 178.39 3gj9 h ALA 66 N 0.86 0.53 -0.60 -0.75 0.00 -1.29 0.32 119.26 118.33 3gj9 h ALA 66 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gj9 h ALA 66 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3gj9 h ALA 66 CO -0.07 -0.13 0.34 1.49 0.00 0.00 0.00 179.25 180.88 3gj9 h GLU 67 N 0.44 0.83 0.00 0.00 4.81 -1.72 -1.67 114.58 117.27 3gj9 h GLU 67 Ca 0.18 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3gj9 h GLU 67 Cb 0.07 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3gj9 h GLU 67 CO -0.12 0.62 -0.30 0.82 -0.73 0.00 0.00 179.01 179.30 3gj9 h ILE 68 N 0.81 1.05 0.00 2.32 2.04 -1.05 -2.74 117.51 119.94 3gj9 h ILE 68 Ca 0.21 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3gj9 h ILE 68 Cb 0.02 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3gj9 h ILE 68 CO -0.04 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.41 3gj9 h ALA 69 N 1.70 1.00 0.00 1.87 0.00 -0.11 -3.47 119.26 120.25 3gj9 h ALA 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gj9 h ALA 69 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gj9 h ALA 69 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3gj9 n GLY 70 N 1.13 1.41 3.69 0.00 0.00 -0.71 -4.55 105.19 106.16 3gj9 n GLY 70 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3gj9 n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gj9 n LEU 71 N 0.00 3.48 -4.20 0.99 0.00 -0.71 -4.99 117.00 111.57 3gj9 n LEU 71 Ca 0.00 1.18 -0.23 0.00 0.00 0.00 0.00 56.01 56.95 3gj9 n LEU 71 Cb 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 43.42 41.81 3gj9 n LEU 71 CO 0.00 -0.41 -0.50 -1.10 0.00 0.00 0.00 177.39 175.38 3gj9 s GLN 72 N -1.16 1.19 0.41 1.96 -0.21 -1.26 -4.55 119.66 116.03 3gj9 s GLN 72 Ca 0.61 -0.84 -0.26 0.00 0.02 0.00 0.00 55.36 54.88 3gj9 s GLN 72 Cb -0.59 -1.26 -0.10 0.00 1.00 0.00 0.00 33.01 32.06 3gj9 s GLN 72 CO 0.56 0.32 1.37 -0.89 -2.12 0.00 0.00 175.29 174.53 3gj9 n ILE 73 N 1.92 2.40 -0.07 1.08 5.41 -1.26 -1.98 119.36 126.86 3gj9 n ILE 73 Ca -0.17 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.08 3gj9 n ILE 73 Cb 0.54 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 3gj9 n ILE 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gj9 n GLY 74 N 0.65 1.34 3.77 7.39 0.00 0.21 -4.99 105.19 113.57 3gj9 n GLY 74 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3gj9 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gj9 s ASP 75 N -2.97 6.65 -0.26 1.61 1.01 -0.84 -4.69 116.67 117.18 3gj9 s ASP 75 Ca 0.00 2.65 -0.09 0.00 0.71 0.00 0.00 52.55 55.81 3gj9 s ASP 75 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3gj9 s ASP 75 CO 0.00 -0.62 0.14 -0.75 0.21 0.00 0.00 175.17 174.15 3gj9 s LYS 76 N -1.93 3.86 -0.62 8.23 2.20 -0.51 -0.21 119.74 130.77 3gj9 s LYS 76 Ca 0.51 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 3gj9 s LYS 76 Cb -0.39 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.45 3gj9 s LYS 76 CO 0.51 -0.13 1.24 0.42 -0.36 0.00 0.00 175.35 177.03 3gj9 s ILE 77 N 1.56 3.91 -0.07 5.43 1.01 -0.14 -2.05 121.20 130.86 3gj9 s ILE 77 Ca 0.07 0.76 -0.24 0.00 0.00 0.00 0.00 60.65 61.24 3gj9 s ILE 77 Cb -0.15 -4.74 -0.19 0.00 0.01 0.00 0.00 42.46 37.39 3gj9 s ILE 77 CO 0.07 -1.44 0.93 0.24 0.00 0.00 0.00 174.94 174.74 3gj9 h MET 78 N 9.87 -0.09 -3.30 2.79 2.86 -0.45 -3.40 114.93 123.21 3gj9 h MET 78 Ca -0.26 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 3gj9 h MET 78 Cb 1.06 0.02 -0.16 0.00 0.06 0.00 0.00 31.60 32.58 3gj9 h MET 78 CO 1.21 0.47 -0.23 1.14 1.06 0.00 0.00 176.91 180.56 3gj9 s GLN 79 N -3.31 0.84 -0.13 1.72 -2.07 -1.09 0.58 119.66 116.19 3gj9 s GLN 79 Ca -0.15 -0.52 -0.00 0.00 -1.82 0.00 0.00 55.36 52.87 3gj9 s GLN 79 Cb -0.00 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3gj9 s GLN 79 CO 0.57 -0.27 -0.09 0.08 -1.32 0.00 0.00 175.29 174.25 3gj9 s VAL 80 N -2.67 1.22 -1.44 3.63 1.01 0.15 -1.14 120.40 121.17 3gj9 s VAL 80 Ca -0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gj9 s VAL 80 Cb -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3gj9 s VAL 80 CO -0.04 0.36 0.33 0.59 0.00 0.00 0.00 175.10 176.33 3gj9 n ASN 81 N 4.87 -0.03 0.00 3.32 3.02 -0.37 -1.00 115.26 125.07 3gj9 n ASN 81 Ca -0.14 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3gj9 n ASN 81 Cb 0.50 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 3gj9 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gj9 n GLY 82 N -2.11 2.10 3.77 7.41 0.00 -1.26 -5.01 105.19 110.08 3gj9 n GLY 82 Ca -0.31 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 3gj9 n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gj9 s TRP 83 N -0.59 3.10 0.32 1.61 0.52 -0.17 -5.00 118.94 118.73 3gj9 s TRP 83 Ca 0.00 1.48 -0.27 0.00 0.02 0.00 0.00 56.10 57.32 3gj9 s TRP 83 Cb 0.00 -3.58 -0.09 0.00 -1.15 0.00 0.00 33.47 28.64 3gj9 s TRP 83 CO 0.00 -1.62 1.03 0.34 0.02 0.00 0.00 176.95 176.72 3gj9 s ASP 84 N -0.65 7.19 0.00 2.95 -1.08 -1.26 -0.68 116.67 123.13 3gj9 s ASP 84 Ca 0.50 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 54.60 3gj9 s ASP 84 Cb -0.37 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.48 3gj9 s ASP 84 CO 0.49 -0.19 0.81 0.23 0.52 0.00 0.00 175.17 177.03 3gj9 n MET 85 N 0.74 1.66 0.06 4.34 2.81 0.20 -4.74 117.12 122.18 3gj9 n MET 85 Ca 0.01 -1.13 -0.12 0.00 -1.81 0.00 0.00 57.70 54.65 3gj9 n MET 85 Cb 0.48 -0.95 -0.13 0.00 -0.71 0.00 0.00 33.22 31.90 3gj9 n MET 85 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3gj9 h THR 86 N 0.23 1.35 -0.47 2.03 1.35 -1.75 -3.36 112.91 112.29 3gj9 h THR 86 Ca 0.00 -3.03 -0.30 0.00 -0.55 0.00 0.00 66.41 62.53 3gj9 h THR 86 Cb 0.40 2.77 -0.19 0.00 -1.73 0.00 0.00 68.15 69.40 3gj9 h THR 86 CO 0.00 0.83 -0.21 0.23 -0.25 0.00 0.00 175.52 176.12 3gj9 n MET 87 N -3.38 2.31 -3.96 4.72 2.81 -1.26 -4.47 117.12 113.89 3gj9 n MET 87 Ca -0.10 -3.45 -0.22 0.00 -1.81 0.00 0.00 57.70 52.12 3gj9 n MET 87 Cb 1.01 -1.95 -0.05 0.00 -0.71 0.00 0.00 33.22 31.51 3gj9 n MET 87 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3gj9 s VAL 88 N -3.73 3.09 0.64 2.03 -7.23 -1.26 -4.89 120.40 109.06 3gj9 s VAL 88 Ca 0.47 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.04 3gj9 s VAL 88 Cb 0.41 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 34.36 3gj9 s VAL 88 CO -0.00 -0.15 0.93 0.42 -0.31 0.00 0.00 175.10 175.99 3gj9 s THR 89 N -2.41 2.60 0.11 5.32 -4.23 -1.26 -1.76 115.64 114.01 3gj9 s THR 89 Ca 0.40 -0.34 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3gj9 s THR 89 Cb -0.03 -3.07 -0.08 0.00 1.34 0.00 0.00 72.50 70.66 3gj9 s THR 89 CO 0.24 -0.07 1.66 -0.74 -0.54 0.00 0.00 174.62 175.17 3gj9 h HIS 90 N -0.35 -0.54 -0.58 3.99 2.76 -1.87 -2.19 115.15 116.37 3gj9 h HIS 90 Ca -0.44 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 3gj9 h HIS 90 Cb 1.30 0.23 -0.03 0.00 1.55 0.00 0.00 27.41 30.46 3gj9 h HIS 90 CO 0.36 -0.29 0.38 -0.44 -1.30 0.00 0.00 177.93 176.64 3gj9 h ASP 91 N -0.36 0.53 0.12 3.26 3.45 -1.94 -1.30 116.42 120.17 3gj9 h ASP 91 Ca 0.04 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 3gj9 h ASP 91 Cb 0.41 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3gj9 h ASP 91 CO -0.15 0.35 -0.06 1.56 -1.57 0.00 0.00 179.24 179.38 3gj9 h GLN 92 N 0.61 -0.15 -0.56 3.56 4.20 -1.79 -0.28 115.11 120.70 3gj9 h GLN 92 Ca 0.24 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.98 3gj9 h GLN 92 Cb 0.19 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3gj9 h GLN 92 CO -0.07 0.04 0.37 0.00 -0.67 0.00 0.00 178.83 178.50 3gj9 h ALA 93 N 0.55 1.66 -0.60 3.87 0.00 -1.03 -0.27 119.26 123.44 3gj9 h ALA 93 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3gj9 h ALA 93 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gj9 h ALA 93 CO 0.03 0.30 0.03 -0.09 0.00 0.00 0.00 179.25 179.51 3gj9 h ARG 94 N 0.70 1.02 -0.02 0.00 1.12 -0.81 -2.77 114.38 113.63 3gj9 h ARG 94 Ca 0.21 -0.30 -0.19 0.00 -1.11 0.00 0.00 59.98 58.59 3gj9 h ARG 94 Cb -0.00 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 3gj9 h ARG 94 CO -0.05 0.99 -0.83 0.87 -3.11 0.00 0.00 179.97 177.84 3gj9 h LYS 95 N 0.94 0.27 0.00 0.20 1.57 -0.04 -2.79 116.57 116.72 3gj9 h LYS 95 Ca 0.18 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3gj9 h LYS 95 Cb 0.51 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gj9 h LYS 95 CO 0.02 0.96 0.00 0.54 -0.57 0.00 0.00 179.45 180.40 3gj9 n ARG 96 N -3.73 0.19 -0.00 3.15 1.74 -0.21 -2.66 116.66 115.13 3gj9 n ARG 96 Ca -0.04 0.07 0.06 0.00 -0.77 0.00 0.00 57.85 57.17 3gj9 n ARG 96 Cb 0.77 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 3gj9 n ARG 96 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gj9 n LEU 97 N -1.38 0.46 -0.67 0.55 4.77 -1.06 -4.54 117.00 115.13 3gj9 n LEU 97 Ca 0.09 -0.41 0.06 0.00 -0.03 0.00 0.00 56.01 55.72 3gj9 n LEU 97 Cb 0.23 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.53 3gj9 n LEU 97 CO 0.20 0.11 0.63 0.35 -1.33 0.00 0.00 177.39 177.35 3gj9 n THR 98 N -1.40 2.22 -2.03 -5.08 -2.24 -1.06 -4.98 114.28 99.71 3gj9 n THR 98 Ca 0.01 -2.34 -0.43 0.00 -2.27 0.00 0.00 64.05 59.02 3gj9 n THR 98 Cb 0.21 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 3gj9 n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gj9 s LYS 99 N -2.99 3.34 0.64 -0.78 1.02 -1.16 -4.86 119.74 114.96 3gj9 s LYS 99 Ca 0.39 1.37 0.34 0.00 0.02 0.00 0.00 55.97 58.09 3gj9 s LYS 99 Cb 0.34 -4.19 1.88 0.00 -0.52 0.00 0.00 37.83 35.34 3gj9 s LYS 99 CO 0.03 -1.85 2.11 -0.09 -0.92 0.00 0.00 175.35 174.63 3gj9 h ARG 100 N 12.74 0.00 -0.00 1.68 2.43 -1.93 -1.54 114.38 127.75 3gj9 h ARG 100 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3gj9 h ARG 100 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3gj9 h ARG 100 CO 1.04 0.00 -0.02 -1.13 -1.51 0.00 0.00 179.97 178.35 3gj9 n SER 101 N -3.24 0.11 -4.17 -3.80 3.41 -1.26 -4.65 113.62 100.02 3gj9 n SER 101 Ca -0.01 -0.41 -0.34 0.00 -0.26 0.00 0.00 58.87 57.85 3gj9 n SER 101 Cb 0.28 -0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 3gj9 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gj9 s GLU 102 N -2.43 2.73 0.12 4.33 2.02 -0.58 -4.95 118.70 119.92 3gj9 s GLU 102 Ca 0.33 -1.04 0.26 0.00 0.02 0.00 0.00 54.97 54.53 3gj9 s GLU 102 Cb 0.21 -2.96 0.98 0.00 0.10 0.00 0.00 34.13 32.46 3gj9 s GLU 102 CO 0.44 -0.43 1.81 -1.91 0.02 0.00 0.00 175.26 175.19 3gj9 n GLU 103 N 4.63 0.13 -4.08 1.61 2.13 -1.26 -4.80 120.64 119.00 3gj9 n GLU 103 Ca -0.16 0.15 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3gj9 n GLU 103 Cb 0.46 -1.67 -0.12 0.00 0.27 0.00 0.00 31.44 30.39 3gj9 n GLU 103 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3gj9 s VAL 104 N -3.07 0.56 -0.09 6.31 1.01 -1.26 -0.67 120.40 123.18 3gj9 s VAL 104 Ca 0.11 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3gj9 s VAL 104 Cb 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3gj9 s VAL 104 CO 0.53 -0.33 -0.17 0.68 0.00 0.00 0.00 175.10 175.80 3gj9 s VAL 105 N -1.27 1.59 -0.40 2.92 -7.23 -0.68 -4.97 120.40 110.36 3gj9 s VAL 105 Ca -0.09 -0.73 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 3gj9 s VAL 105 Cb -0.09 -1.42 0.06 0.00 0.56 0.00 0.00 36.38 35.49 3gj9 s VAL 105 CO 0.00 0.46 0.22 -0.13 -0.31 0.00 0.00 175.10 175.35 3gj9 s ARG 106 N 0.68 2.67 0.00 4.82 0.52 -1.26 -1.41 118.95 124.97 3gj9 s ARG 106 Ca -0.13 -1.31 -0.13 0.00 -0.52 0.00 0.00 55.73 53.64 3gj9 s ARG 106 Cb -0.16 -3.73 -0.06 0.00 0.52 0.00 0.00 34.95 31.53 3gj9 s ARG 106 CO 0.03 -0.84 0.38 -0.51 0.02 0.00 0.00 175.30 174.37 3gj9 s LEU 107 N 1.46 4.44 -0.22 2.53 1.02 0.17 -1.24 118.68 126.85 3gj9 s LEU 107 Ca 0.02 0.87 -0.02 0.00 0.02 0.00 0.00 54.13 55.02 3gj9 s LEU 107 Cb -0.21 -2.61 0.01 0.00 0.02 0.00 0.00 46.19 43.39 3gj9 s LEU 107 CO 0.04 0.30 -0.10 -0.22 0.02 0.00 0.00 176.35 176.39 3gj9 s LEU 108 N -1.26 2.73 0.26 1.79 0.20 -0.29 -0.61 118.68 121.51 3gj9 s LEU 108 Ca 0.25 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.48 3gj9 s LEU 108 Cb -0.16 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 3gj9 s LEU 108 CO 0.13 -0.04 0.09 0.68 -0.29 0.00 0.00 176.35 176.92 3gj9 s VAL 109 N 1.38 0.61 0.02 1.68 -7.23 0.12 0.31 120.40 117.29 3gj9 s VAL 109 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 3gj9 s VAL 109 Cb -0.14 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3gj9 s VAL 109 CO -0.07 -0.02 -0.08 0.42 -0.31 0.00 0.00 175.10 175.04 3gj9 s THR 110 N -3.72 0.64 -0.08 5.32 -4.23 -0.87 0.41 115.64 113.12 3gj9 s THR 110 Ca 0.37 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 3gj9 s THR 110 Cb 0.08 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.33 3gj9 s THR 110 CO 0.13 -0.07 0.21 0.00 -0.54 0.00 0.00 174.62 174.35 3gj9 s ARG 111 N -0.86 0.24 0.31 3.99 1.70 -0.37 -1.42 118.95 122.55 3gj9 s ARG 111 Ca -0.02 0.30 -0.29 0.00 -0.47 0.00 0.00 55.73 55.24 3gj9 s ARG 111 Cb -0.06 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.32 3gj9 s ARG 111 CO 0.00 -0.03 1.50 -0.65 -1.08 0.00 0.00 175.30 175.04 3gj9 s GLN 112 N 0.15 4.17 0.00 3.89 -0.21 -1.26 -1.96 119.66 124.44 3gj9 s GLN 112 Ca -0.00 2.48 0.00 0.00 0.02 0.00 0.00 55.36 57.86 3gj9 s GLN 112 Cb -0.02 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3gj9 s GLN 112 CO 0.00 -0.52 0.00 -1.13 -2.12 0.00 0.00 175.29 171.52 3gj9 n SER 113 N 1.59 1.11 -4.56 5.90 3.41 -1.26 -4.87 113.62 114.94 3gj9 n SER 113 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 3gj9 n SER 113 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3gj9 n SER 113 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gj9 n LEU 114 N 0.00 1.70 0.00 1.04 4.77 -1.26 -4.86 117.00 118.39 3gj9 n LEU 114 Ca 0.00 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 3gj9 n LEU 114 Cb 0.00 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 3gj9 n LEU 114 CO 0.00 -1.82 0.00 0.00 -1.33 0.00 0.00 177.39 174.24 3gj9 n GLN 115 N 0.42 0.00 0.00 3.23 0.00 -1.26 -4.95 117.38 114.81 3gj9 n GLN 115 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 3gj9 n GLN 115 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.61 3gj9 n GLN 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69