#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dj1 n THR 10 N 0.00 0.45 -0.98 3.34 5.66 -1.26 -5.03 114.28 116.46 3dj1 n THR 10 Ca 0.00 -0.35 -0.31 0.00 -3.05 0.00 0.00 64.05 60.34 3dj1 n THR 10 Cb 0.00 -0.43 0.13 0.00 -1.55 0.00 0.00 70.33 68.48 3dj1 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dj1 s ALA 11 N -2.38 1.84 -0.01 1.79 0.00 -1.26 -4.98 121.76 116.77 3dj1 s ALA 11 Ca -0.04 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 3dj1 s ALA 11 Cb 0.04 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3dj1 s ALA 11 CO 0.40 -2.29 0.98 0.08 0.00 0.00 0.00 175.76 174.93 3dj1 s VAL 12 N -2.73 4.87 -0.02 0.00 1.01 -1.26 -5.04 120.40 117.22 3dj1 s VAL 12 Ca 0.65 2.05 0.08 0.00 0.00 0.00 0.00 61.98 64.75 3dj1 s VAL 12 Cb -0.21 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 3dj1 s VAL 12 CO 0.56 0.15 -0.26 0.68 0.00 0.00 0.00 175.10 176.24 3dj1 s VAL 13 N 1.06 2.01 -0.07 2.92 -7.23 -1.26 -4.51 120.40 113.32 3dj1 s VAL 13 Ca 0.52 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 3dj1 s VAL 13 Cb -0.21 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 3dj1 s VAL 13 CO 0.27 0.56 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.96 3dj1 s GLN 14 N -0.62 2.77 -0.17 4.82 0.74 0.52 -4.90 119.66 122.81 3dj1 s GLN 14 Ca 0.10 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 54.72 3dj1 s GLN 14 Cb -0.10 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 3dj1 s GLN 14 CO -0.01 0.61 0.58 0.50 -0.55 0.00 0.00 175.29 176.42 3dj1 s ARG 15 N -0.67 4.25 -0.24 1.67 3.52 -1.26 -0.92 118.95 125.29 3dj1 s ARG 15 Ca 0.10 0.55 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 3dj1 s ARG 15 Cb -0.11 -3.54 0.06 0.00 -1.56 0.00 0.00 34.95 29.81 3dj1 s ARG 15 CO 0.01 -0.11 -0.05 0.08 -0.81 0.00 0.00 175.30 174.42 3dj1 s VAL 16 N 1.49 1.60 -0.28 7.11 1.01 0.91 -4.98 120.40 127.27 3dj1 s VAL 16 Ca 0.28 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 3dj1 s VAL 16 Cb -0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3dj1 s VAL 16 CO 0.11 -0.14 0.21 -1.61 0.00 0.00 0.00 175.10 173.67 3dj1 s GLU 17 N 1.35 3.96 -0.20 2.72 2.02 -1.26 -0.46 118.70 126.83 3dj1 s GLU 17 Ca -0.05 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 3dj1 s GLU 17 Cb -0.19 -3.66 0.01 0.00 0.10 0.00 0.00 34.13 30.40 3dj1 s GLU 17 CO -0.07 -0.19 -0.14 0.42 0.02 0.00 0.00 175.26 175.31 3dj1 s ILE 18 N 1.79 2.54 -0.27 -1.63 1.01 -0.36 -4.78 121.20 119.50 3dj1 s ILE 18 Ca 0.08 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 3dj1 s ILE 18 Cb -0.16 -2.13 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 3dj1 s ILE 18 CO 0.11 0.45 0.82 -2.28 0.00 0.00 0.00 174.94 174.04 3dj1 s HIS 19 N 1.34 3.26 0.63 3.97 2.46 -1.26 -0.92 115.29 124.78 3dj1 s HIS 19 Ca 0.04 1.00 -0.18 0.00 0.47 0.00 0.00 55.06 56.39 3dj1 s HIS 19 Cb -0.14 -3.13 -0.02 0.00 -0.13 0.00 0.00 32.58 29.16 3dj1 s HIS 19 CO -0.09 -0.48 1.28 0.15 -2.47 0.00 0.00 174.74 173.13 3dj1 s LYS 20 N 2.91 2.67 0.68 2.88 1.02 -0.13 -4.74 119.74 125.03 3dj1 s LYS 20 Ca 0.34 2.01 -0.11 0.00 0.02 0.00 0.00 55.97 58.23 3dj1 s LYS 20 Cb -0.15 -1.88 -0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3dj1 s LYS 20 CO 0.10 -1.49 1.06 -0.51 -0.92 0.00 0.00 175.35 173.58 3dj1 s LEU 21 N -4.27 3.18 -0.02 3.17 1.43 0.52 -4.80 118.68 117.89 3dj1 s LEU 21 Ca 0.81 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.59 3dj1 s LEU 21 Cb -0.36 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.35 3dj1 s LEU 21 CO 0.38 -1.37 -0.21 -0.60 0.23 0.00 0.00 176.35 174.78 3dj1 s ARG 22 N -4.96 1.78 -0.28 1.70 3.52 -1.26 -0.27 118.95 119.18 3dj1 s ARG 22 Ca 0.58 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 55.41 3dj1 s ARG 22 Cb -0.14 -1.68 0.12 0.00 -1.56 0.00 0.00 34.95 31.69 3dj1 s ARG 22 CO 0.53 0.42 0.21 -1.14 -0.81 0.00 0.00 175.30 174.51 3dj1 s GLN 23 N -0.40 0.25 7.87 5.12 -0.44 -0.15 -4.96 119.66 126.96 3dj1 s GLN 23 Ca 0.06 -0.28 0.00 0.00 -2.50 0.00 0.00 55.36 52.63 3dj1 s GLN 23 Cb -0.09 -0.95 0.00 0.00 -1.64 0.00 0.00 33.01 30.33 3dj1 s GLN 23 CO -0.00 -0.99 0.00 0.41 0.50 0.00 0.00 175.29 175.21 3dj1 n GLY 24 N 5.28 3.32 1.02 2.59 0.00 -1.26 -1.31 105.19 114.83 3dj1 n GLY 24 Ca -0.04 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3dj1 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dj1 n GLU 25 N 13.17 2.37 -3.65 1.61 -0.58 -1.26 -4.96 120.64 127.35 3dj1 n GLU 25 Ca 0.00 -2.03 -0.29 0.00 -0.42 0.00 0.00 57.16 54.42 3dj1 n GLU 25 Cb 0.00 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 3dj1 n GLU 25 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dj1 s ASN 26 N -1.81 6.44 -0.10 1.62 0.01 -0.43 -5.10 114.94 115.57 3dj1 s ASN 26 Ca 0.32 0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 3dj1 s ASN 26 Cb 0.21 -2.06 -0.02 0.00 0.41 0.00 0.00 41.25 39.79 3dj1 s ASN 26 CO 0.31 -0.01 -0.10 -0.76 -1.51 0.00 0.00 177.10 175.03 3dj1 s LEU 27 N -3.02 2.95 -0.02 0.60 1.43 -1.26 -0.98 118.68 118.37 3dj1 s LEU 27 Ca 0.40 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 3dj1 s LEU 27 Cb -0.12 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3dj1 s LEU 27 CO 0.27 0.25 -0.24 -0.63 0.23 0.00 0.00 176.35 176.23 3dj1 s ILE 28 N -0.16 2.18 0.15 -0.59 1.01 0.62 -4.93 121.20 119.49 3dj1 s ILE 28 Ca 0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 59.52 3dj1 s ILE 28 Cb -0.13 -1.76 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 3dj1 s ILE 28 CO 0.03 0.58 1.43 -0.07 0.00 0.00 0.00 174.94 176.91 3dj1 h LEU 29 N 5.48 0.82 0.00 2.97 3.38 -1.93 0.15 115.31 126.18 3dj1 h LEU 29 Ca -0.43 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3dj1 h LEU 29 Cb 1.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3dj1 h LEU 29 CO 0.47 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.84 3dj1 n GLY 30 N 0.37 0.52 3.54 0.83 0.00 -1.26 -4.46 105.19 104.73 3dj1 n GLY 30 Ca -0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3dj1 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dj1 s PHE 31 N -2.00 -0.35 0.22 1.61 -0.12 -1.26 -0.77 117.98 115.31 3dj1 s PHE 31 Ca 0.00 0.16 0.07 0.00 -0.05 0.00 0.00 56.93 57.11 3dj1 s PHE 31 Cb 0.00 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 3dj1 s PHE 31 CO 0.00 -0.69 -0.11 -1.12 -0.05 0.00 0.00 175.22 173.25 3dj1 s SER 32 N -2.64 2.54 0.24 1.98 0.01 -0.47 -4.96 113.70 110.41 3dj1 s SER 32 Ca 0.05 -1.08 0.05 0.00 1.31 0.00 0.00 55.95 56.28 3dj1 s SER 32 Cb -0.01 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 3dj1 s SER 32 CO -0.07 -0.25 -0.03 0.27 0.41 0.00 0.00 173.24 173.57 3dj1 s ILE 33 N -3.03 1.26 0.07 1.44 -4.36 -1.26 -0.97 121.20 114.35 3dj1 s ILE 33 Ca 0.25 -2.07 -0.03 0.00 -0.26 0.00 0.00 60.65 58.54 3dj1 s ILE 33 Cb 0.01 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 3dj1 s ILE 33 CO 0.08 -0.34 0.04 -0.83 0.24 0.00 0.00 174.94 174.13 3dj1 s GLY 34 N -3.35 0.43 0.00 6.27 0.00 -0.18 -4.76 107.32 105.73 3dj1 s GLY 34 Ca 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3dj1 s GLY 34 CO 0.09 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.61 3dj1 n GLY 35 N 0.04 -1.18 0.00 0.20 0.00 -1.26 -0.90 105.19 102.09 3dj1 n GLY 35 Ca -0.13 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.71 3dj1 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dj1 n GLY 36 N -0.10 3.56 0.30 -0.02 0.00 -0.79 -4.07 105.19 104.07 3dj1 n GLY 36 Ca 0.00 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.51 3dj1 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3dj1 h ILE 37 N 0.65 0.09 -0.61 -0.61 3.07 -1.09 -2.59 117.51 116.42 3dj1 h ILE 37 Ca 0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 3dj1 h ILE 37 Cb 0.00 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 3dj1 h ILE 37 CO 0.00 0.02 0.00 -0.90 -1.05 0.00 0.00 178.15 176.22 3dj1 n ASP 38 N -3.17 3.77 -4.74 2.16 5.75 -1.26 -4.96 116.55 114.11 3dj1 n ASP 38 Ca -0.01 -2.00 -0.23 0.00 -0.01 0.00 0.00 54.79 52.54 3dj1 n ASP 38 Cb 0.21 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.84 3dj1 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3dj1 s GLN 39 N -1.16 2.62 -0.35 0.11 -1.52 -0.98 -4.99 119.66 113.40 3dj1 s GLN 39 Ca 0.45 -1.20 -0.27 0.00 -1.95 0.00 0.00 55.36 52.39 3dj1 s GLN 39 Cb 0.24 -2.39 0.01 0.00 -0.22 0.00 0.00 33.01 30.66 3dj1 s GLN 39 CO 0.32 0.40 0.99 0.34 -0.25 0.00 0.00 175.29 177.09 3dj1 s ASP 40 N -3.65 6.78 0.61 5.90 -1.08 -1.26 -4.86 116.67 119.11 3dj1 s ASP 40 Ca 0.32 0.79 0.28 0.00 -0.52 0.00 0.00 52.55 53.42 3dj1 s ASP 40 Cb -0.08 -2.50 1.42 0.00 -1.46 0.00 0.00 42.92 40.31 3dj1 s ASP 40 CO 0.22 -0.86 1.83 -0.65 0.52 0.00 0.00 175.17 176.23 3dj1 h PRO 41 N 8.31 0.00 0.00 4.34 0.11 -1.87 0.89 132.00 143.77 3dj1 h PRO 41 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3dj1 h PRO 41 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dj1 h PRO 41 CO 1.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.66 3dj1 n SER 42 N -3.45 0.42 0.08 -2.05 3.41 -1.26 -2.03 113.62 108.73 3dj1 n SER 42 Ca 0.07 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 3dj1 n SER 42 Cb 0.68 -0.68 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 3dj1 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dj1 n GLN 43 N -1.94 0.19 -3.72 4.33 6.02 0.31 -4.62 117.38 117.95 3dj1 n GLN 43 Ca 0.04 0.15 -0.38 0.00 -0.01 0.00 0.00 57.00 56.80 3dj1 n GLN 43 Cb 0.27 -1.72 -0.12 0.00 1.02 0.00 0.00 30.24 29.69 3dj1 n GLN 43 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3dj1 s ASN 44 N -4.12 5.38 0.25 1.08 3.04 -0.86 -4.98 114.94 114.72 3dj1 s ASN 44 Ca 0.11 -1.05 0.19 0.00 0.04 0.00 0.00 52.86 52.15 3dj1 s ASN 44 Cb 0.14 -1.90 0.95 0.00 -1.54 0.00 0.00 41.25 38.89 3dj1 s ASN 44 CO 0.59 -0.32 1.57 -0.81 -3.04 0.00 0.00 177.10 175.08 3dj1 n PRO 45 N 4.86 0.12 0.00 0.43 -0.04 -1.26 -2.51 135.00 136.60 3dj1 n PRO 45 Ca -0.13 0.56 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 3dj1 n PRO 45 Cb 0.45 -1.86 -0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3dj1 n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dj1 n PHE 46 N -2.12 0.00 -2.22 0.54 3.72 -1.26 -4.95 117.46 111.18 3dj1 n PHE 46 Ca -0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3dj1 n PHE 46 Cb 0.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3dj1 n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3dj1 s SER 47 N -2.32 6.91 0.31 4.37 1.04 -1.05 -4.91 113.70 118.05 3dj1 s SER 47 Ca 0.17 2.48 0.04 0.00 0.48 0.00 0.00 55.95 59.13 3dj1 s SER 47 Cb 0.17 -2.63 0.51 0.00 0.10 0.00 0.00 66.02 64.18 3dj1 s SER 47 CO 0.53 -0.47 1.79 -0.33 0.98 0.00 0.00 173.24 175.73 3dj1 h GLU 48 N 4.48 0.44 0.00 4.02 5.08 -1.91 -3.48 114.58 123.21 3dj1 h GLU 48 Ca -0.46 -0.14 0.16 0.00 -1.00 0.00 0.00 59.36 57.91 3dj1 h GLU 48 Cb 1.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3dj1 h GLU 48 CO 0.72 0.61 0.49 -0.40 -1.00 0.00 0.00 179.01 179.43 3dj1 n ASP 49 N -4.17 -1.13 0.19 1.42 5.68 -1.26 -5.00 116.55 112.28 3dj1 n ASP 49 Ca -0.00 -1.51 0.11 0.00 -0.50 0.00 0.00 54.79 52.89 3dj1 n ASP 49 Cb 0.35 1.81 0.60 0.00 -1.14 0.00 0.00 41.12 42.74 3dj1 n ASP 49 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3dj1 h LYS 50 N 0.00 0.00 -0.02 0.11 5.09 -1.94 0.20 116.57 120.01 3dj1 h LYS 50 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.56 3dj1 h LYS 50 Cb 0.85 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.18 3dj1 h LYS 50 CO 0.25 0.00 -0.31 0.25 -2.09 0.00 0.00 179.45 177.55 3dj1 n THR 51 N -2.32 0.00 -2.81 0.07 -2.24 -1.26 -4.82 114.28 100.90 3dj1 n THR 51 Ca -0.01 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 3dj1 n THR 51 Cb 0.16 1.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 3dj1 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dj1 s ASP 52 N -2.21 6.20 -0.07 3.42 -1.08 0.06 -4.85 116.67 118.14 3dj1 s ASP 52 Ca 0.20 -0.97 0.20 0.00 -0.52 0.00 0.00 52.55 51.47 3dj1 s ASP 52 Cb 0.17 -2.44 0.71 0.00 -1.46 0.00 0.00 42.92 39.91 3dj1 s ASP 52 CO 0.46 -1.49 1.61 0.29 0.52 0.00 0.00 175.17 176.57 3dj1 n LYS 53 N 7.93 3.41 -0.87 4.34 4.76 -1.26 -4.74 118.16 131.73 3dj1 n LYS 53 Ca -0.01 -2.84 -0.29 0.00 -2.87 0.00 0.00 58.31 52.30 3dj1 n LYS 53 Cb 0.46 -1.79 0.20 0.00 -1.84 0.00 0.00 35.03 32.06 3dj1 n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dj1 s GLY 54 N -0.93 1.58 -0.18 0.72 0.00 -1.26 -1.88 107.32 105.37 3dj1 s GLY 54 Ca 0.52 -0.11 -0.15 0.00 0.00 0.00 0.00 44.72 44.97 3dj1 s GLY 54 CO 0.28 0.50 0.35 -0.42 0.00 0.00 0.00 173.10 173.81 3dj1 s ILE 55 N -2.72 5.25 0.10 0.90 -1.09 -1.26 -3.23 121.20 119.15 3dj1 s ILE 55 Ca 0.66 0.63 0.07 0.00 -2.23 0.00 0.00 60.65 59.79 3dj1 s ILE 55 Cb -0.21 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 3dj1 s ILE 55 CO 0.60 0.32 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.14 3dj1 s TYR 56 N 0.87 1.59 -0.22 3.97 2.02 -0.08 -0.95 117.35 124.54 3dj1 s TYR 56 Ca 0.18 -0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 3dj1 s TYR 56 Cb -0.14 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.56 3dj1 s TYR 56 CO 0.06 0.16 1.05 0.08 -1.57 0.00 0.00 175.55 175.33 3dj1 s VAL 57 N -1.29 4.66 -0.26 0.71 1.01 0.03 -1.01 120.40 124.26 3dj1 s VAL 57 Ca 0.04 2.01 0.21 0.00 0.00 0.00 0.00 61.98 64.23 3dj1 s VAL 57 Cb -0.10 -4.30 -0.29 0.00 0.00 0.00 0.00 36.38 31.69 3dj1 s VAL 57 CO 0.04 -0.17 0.55 0.35 0.00 0.00 0.00 175.10 175.86 3dj1 n THR 58 N 5.31 0.00 -3.69 3.92 -2.24 -0.15 0.07 114.28 117.50 3dj1 n THR 58 Ca 0.12 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 3dj1 n THR 58 Cb 0.46 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.88 3dj1 n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dj1 s ARG 59 N -3.30 0.75 -0.08 -0.78 0.52 -1.20 -4.89 118.95 109.97 3dj1 s ARG 59 Ca -0.04 0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 3dj1 s ARG 59 Cb 0.14 0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.98 3dj1 s ARG 59 CO 0.85 -0.20 0.03 0.08 0.02 0.00 0.00 175.30 176.08 3dj1 s VAL 60 N -1.01 0.16 0.10 3.52 1.01 -1.26 -1.36 120.40 121.56 3dj1 s VAL 60 Ca -0.10 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 3dj1 s VAL 60 Cb -0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 3dj1 s VAL 60 CO 0.05 0.16 1.61 -0.44 0.00 0.00 0.00 175.10 176.48 3dj1 s SER 61 N 2.05 6.60 0.10 3.32 0.01 0.05 -4.92 113.70 120.92 3dj1 s SER 61 Ca 0.04 2.53 -0.33 0.00 1.31 0.00 0.00 55.95 59.50 3dj1 s SER 61 Cb -0.13 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 63.41 3dj1 s SER 61 CO -0.05 -0.86 1.77 1.21 0.41 0.00 0.00 173.24 175.73 3dj1 n GLU 62 N 4.97 2.52 -0.81 12.44 2.13 -1.26 -1.54 120.64 139.08 3dj1 n GLU 62 Ca 0.15 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.88 3dj1 n GLU 62 Cb 0.40 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.34 3dj1 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dj1 n GLY 63 N 4.03 0.55 3.81 8.31 0.00 -1.26 -4.99 105.19 115.63 3dj1 n GLY 63 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3dj1 n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dj1 s GLY 64 N -2.00 1.67 0.53 -0.02 0.00 -0.59 -4.83 107.32 102.08 3dj1 s GLY 64 Ca 0.00 -0.95 0.26 0.00 0.00 0.00 0.00 44.72 44.03 3dj1 s GLY 64 CO 0.00 -0.21 2.10 -0.56 0.00 0.00 0.00 173.10 174.43 3dj1 h PRO 65 N -1.82 0.00 -0.05 2.90 0.13 -1.86 -2.27 132.00 129.02 3dj1 h PRO 65 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 3dj1 h PRO 65 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3dj1 h PRO 65 CO 0.44 0.10 -0.27 0.00 -0.23 0.00 0.00 178.00 178.04 3dj1 h ALA 66 N 1.90 0.11 -0.54 -0.56 0.00 -1.80 -2.27 119.26 116.10 3dj1 h ALA 66 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dj1 h ALA 66 Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3dj1 h ALA 66 CO 0.01 0.13 0.35 1.49 0.00 0.00 0.00 179.25 181.23 3dj1 h GLU 67 N -0.25 0.72 -0.58 0.00 4.81 -1.72 -1.25 114.58 116.31 3dj1 h GLU 67 Ca -0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3dj1 h GLU 67 Cb 0.93 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 3dj1 h GLU 67 CO 0.06 0.49 0.19 0.82 -0.73 0.00 0.00 179.01 179.84 3dj1 h ILE 68 N 0.73 1.22 0.00 2.32 1.08 -1.46 -2.69 117.51 118.71 3dj1 h ILE 68 Ca 0.20 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3dj1 h ILE 68 Cb -0.06 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 3dj1 h ILE 68 CO -0.04 0.29 0.00 0.00 -0.69 0.00 0.00 178.15 177.71 3dj1 n ALA 69 N -2.45 2.18 0.00 1.87 0.00 -0.85 -4.89 120.51 116.36 3dj1 n ALA 69 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3dj1 n ALA 69 Cb 0.19 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3dj1 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dj1 n GLY 70 N 0.86 1.01 3.73 0.00 0.00 -1.01 -4.65 105.19 105.13 3dj1 n GLY 70 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dj1 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dj1 s LEU 71 N 0.00 4.44 0.05 0.99 0.20 -0.50 -5.02 118.68 118.83 3dj1 s LEU 71 Ca 0.00 2.02 0.08 0.00 0.69 0.00 0.00 54.13 56.93 3dj1 s LEU 71 Cb 0.00 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.14 3dj1 s LEU 71 CO 0.00 -0.31 -0.24 -1.10 -0.29 0.00 0.00 176.35 174.41 3dj1 s GLN 72 N 0.25 1.57 0.30 1.98 -0.21 -1.26 -4.45 119.66 117.84 3dj1 s GLN 72 Ca 0.53 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.57 3dj1 s GLN 72 Cb -0.29 -1.73 -0.12 0.00 1.00 0.00 0.00 33.01 31.87 3dj1 s GLN 72 CO 0.32 0.44 1.52 -0.89 -2.12 0.00 0.00 175.29 174.57 3dj1 n ILE 73 N 1.77 1.21 -0.01 1.08 5.41 -1.26 -1.49 119.36 126.07 3dj1 n ILE 73 Ca -0.17 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.28 3dj1 n ILE 73 Cb 0.53 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 3dj1 n ILE 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dj1 n GLY 74 N 1.83 0.62 3.77 7.39 0.00 0.11 -4.99 105.19 113.91 3dj1 n GLY 74 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3dj1 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dj1 s ASP 75 N -2.44 6.11 -0.22 1.61 1.01 -0.56 -4.69 116.67 117.48 3dj1 s ASP 75 Ca 0.00 2.58 -0.13 0.00 0.71 0.00 0.00 52.55 55.71 3dj1 s ASP 75 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3dj1 s ASP 75 CO 0.00 -0.98 0.25 -0.75 0.21 0.00 0.00 175.17 173.90 3dj1 s LYS 76 N -2.46 4.12 -0.33 8.23 2.20 -0.61 -0.79 119.74 130.10 3dj1 s LYS 76 Ca 0.61 -0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.94 3dj1 s LYS 76 Cb -0.36 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 3dj1 s LYS 76 CO 0.45 0.04 0.58 0.42 -0.36 0.00 0.00 175.35 176.48 3dj1 s ILE 77 N 1.10 4.97 -0.07 5.43 1.01 -0.13 -1.47 121.20 132.03 3dj1 s ILE 77 Ca 0.12 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.48 3dj1 s ILE 77 Cb -0.14 -3.99 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 3dj1 s ILE 77 CO 0.05 -0.18 0.55 0.23 0.00 0.00 0.00 174.94 175.60 3dj1 n MET 78 N 5.84 0.67 -3.72 2.79 2.81 0.16 -4.45 117.12 121.22 3dj1 n MET 78 Ca -0.03 0.27 -0.14 0.00 -1.81 0.00 0.00 57.70 56.00 3dj1 n MET 78 Cb 0.49 -1.76 -0.09 0.00 -0.71 0.00 0.00 33.22 31.15 3dj1 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3dj1 s GLN 79 N -2.58 0.66 -0.14 0.03 0.74 -1.11 -0.26 119.66 117.00 3dj1 s GLN 79 Ca -0.10 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.42 3dj1 s GLN 79 Cb 0.08 0.30 0.04 0.00 1.10 0.00 0.00 33.01 34.52 3dj1 s GLN 79 CO 0.81 -0.16 -0.05 0.08 -0.55 0.00 0.00 175.29 175.42 3dj1 s VAL 80 N -0.80 0.99 -1.69 1.34 1.01 -0.17 -1.40 120.40 119.68 3dj1 s VAL 80 Ca -0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3dj1 s VAL 80 Cb -0.04 -1.13 0.14 0.00 0.00 0.00 0.00 36.38 35.35 3dj1 s VAL 80 CO 0.04 0.20 0.68 0.59 0.00 0.00 0.00 175.10 176.60 3dj1 n ASN 81 N 4.93 -2.52 0.00 3.32 3.02 0.26 -0.43 115.26 123.84 3dj1 n ASN 81 Ca -0.11 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3dj1 n ASN 81 Cb 0.49 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 3dj1 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dj1 n GLY 82 N -1.49 1.55 3.72 7.41 0.00 -1.26 -5.03 105.19 110.08 3dj1 n GLY 82 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3dj1 n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dj1 s TRP 83 N -2.43 3.48 0.30 1.61 0.52 0.43 -5.04 118.94 117.81 3dj1 s TRP 83 Ca 0.00 0.76 -0.30 0.00 0.02 0.00 0.00 56.10 56.58 3dj1 s TRP 83 Cb 0.00 -2.48 -0.11 0.00 -1.15 0.00 0.00 33.47 29.73 3dj1 s TRP 83 CO 0.00 0.17 1.56 0.34 0.02 0.00 0.00 176.95 179.05 3dj1 s ASP 84 N 0.62 6.40 -0.01 2.95 -1.08 -1.26 -1.00 116.67 123.29 3dj1 s ASP 84 Ca 0.22 2.93 0.02 0.00 -0.52 0.00 0.00 52.55 55.20 3dj1 s ASP 84 Cb -0.14 -2.64 0.03 0.00 -1.46 0.00 0.00 42.92 38.71 3dj1 s ASP 84 CO 0.08 -0.88 1.01 0.23 0.52 0.00 0.00 175.17 176.12 3dj1 n MET 85 N 2.02 2.79 -0.02 4.34 2.81 0.64 -4.75 117.12 124.95 3dj1 n MET 85 Ca 0.07 -1.60 -0.12 0.00 -1.81 0.00 0.00 57.70 54.24 3dj1 n MET 85 Cb 0.38 -1.05 0.01 0.00 -0.71 0.00 0.00 33.22 31.85 3dj1 n MET 85 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3dj1 h THR 86 N 0.04 1.31 -2.49 2.03 1.35 -1.80 -3.39 112.91 109.97 3dj1 h THR 86 Ca 0.00 -1.85 -0.60 0.00 -0.55 0.00 0.00 66.41 63.42 3dj1 h THR 86 Cb 0.56 1.80 -0.39 0.00 -1.73 0.00 0.00 68.15 68.39 3dj1 h THR 86 CO 0.00 0.58 -0.90 0.23 -0.25 0.00 0.00 175.52 175.18 3dj1 n MET 87 N -3.95 0.54 -4.10 4.72 2.81 -1.26 -4.50 117.12 111.37 3dj1 n MET 87 Ca -0.04 -3.44 -0.08 0.00 -1.81 0.00 0.00 57.70 52.33 3dj1 n MET 87 Cb 0.64 -1.78 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 3dj1 n MET 87 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dj1 s VAL 88 N -0.30 0.25 0.75 2.03 -7.23 -1.26 -4.97 120.40 109.66 3dj1 s VAL 88 Ca 0.32 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 3dj1 s VAL 88 Cb 0.03 -1.58 0.04 0.00 0.56 0.00 0.00 36.38 35.43 3dj1 s VAL 88 CO -0.19 -0.94 1.08 0.42 -0.31 0.00 0.00 175.10 175.16 3dj1 s THR 89 N -3.91 3.48 0.22 5.32 -4.23 -1.26 -0.88 115.64 114.38 3dj1 s THR 89 Ca 0.09 0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 3dj1 s THR 89 Cb 0.08 -3.27 0.17 0.00 1.34 0.00 0.00 72.50 70.81 3dj1 s THR 89 CO -0.09 -0.63 1.87 -0.74 -0.54 0.00 0.00 174.62 174.49 3dj1 h HIS 90 N -0.88 0.93 -0.62 3.99 2.76 -1.87 -1.68 115.15 117.79 3dj1 h HIS 90 Ca -0.46 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 3dj1 h HIS 90 Cb 1.25 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 3dj1 h HIS 90 CO 0.52 0.55 0.24 0.22 -1.30 0.00 0.00 177.93 178.16 3dj1 h ASP 91 N 0.98 0.83 -0.47 3.26 3.58 -1.92 -0.01 116.42 122.67 3dj1 h ASP 91 Ca 0.30 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 3dj1 h ASP 91 Cb -0.03 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 3dj1 h ASP 91 CO -0.10 0.75 -0.12 1.56 -2.88 0.00 0.00 179.24 178.46 3dj1 h GLN 92 N 0.89 0.95 -0.36 0.28 4.20 -1.80 -0.71 115.11 118.57 3dj1 h GLN 92 Ca 0.21 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3dj1 h GLN 92 Cb 0.19 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3dj1 h GLN 92 CO -0.02 1.01 0.12 0.00 -0.67 0.00 0.00 178.83 179.27 3dj1 h ALA 93 N 1.01 0.47 -0.95 3.87 0.00 -0.78 -2.18 119.26 120.70 3dj1 h ALA 93 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dj1 h ALA 93 Cb 0.66 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3dj1 h ALA 93 CO 0.05 0.11 0.63 0.00 0.00 0.00 0.00 179.25 180.03 3dj1 h ARG 94 N 0.43 1.25 -0.15 0.00 3.08 -0.77 -2.21 114.38 116.02 3dj1 h ARG 94 Ca 0.12 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3dj1 h ARG 94 Cb 0.24 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3dj1 h ARG 94 CO -0.00 0.83 0.06 0.87 -1.07 0.00 0.00 179.97 180.65 3dj1 h LYS 95 N 1.29 0.23 -0.47 0.04 1.57 -0.86 -0.95 116.57 117.42 3dj1 h LYS 95 Ca 0.35 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 3dj1 h LYS 95 Cb -0.15 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3dj1 h LYS 95 CO -0.08 0.33 0.31 0.00 -0.57 0.00 0.00 179.45 179.44 3dj1 h ARG 96 N 0.09 0.45 0.00 3.15 2.47 -1.18 -2.26 114.38 117.09 3dj1 h ARG 96 Ca 0.05 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.61 3dj1 h ARG 96 Cb 0.18 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3dj1 h ARG 96 CO -0.00 0.30 -0.63 -0.07 0.56 0.00 0.00 179.97 180.12 3dj1 h LEU 97 N 0.46 0.00 -3.63 3.04 3.38 -1.03 -3.37 115.31 114.16 3dj1 h LEU 97 Ca 0.20 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.75 3dj1 h LEU 97 Cb 0.20 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.69 3dj1 h LEU 97 CO -0.05 0.63 -0.19 0.35 0.09 0.00 0.00 178.44 179.28 3dj1 n THR 98 N -3.31 2.76 -2.14 0.22 -2.24 -0.39 -4.97 114.28 104.20 3dj1 n THR 98 Ca 0.01 -3.37 -0.43 0.00 -2.27 0.00 0.00 64.05 57.99 3dj1 n THR 98 Cb 0.77 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3dj1 n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dj1 s LYS 99 N -3.50 4.16 0.50 -0.78 -0.14 -1.17 -4.89 119.74 113.91 3dj1 s LYS 99 Ca 0.51 1.98 0.18 0.00 -1.36 0.00 0.00 55.97 57.29 3dj1 s LYS 99 Cb 0.43 -3.92 1.25 0.00 -1.68 0.00 0.00 37.83 33.90 3dj1 s LYS 99 CO 0.01 -0.85 2.09 -0.09 -0.76 0.00 0.00 175.35 175.75 3dj1 h ARG 100 N 9.24 0.00 0.00 1.68 9.65 -1.94 -1.37 114.38 131.64 3dj1 h ARG 100 Ca -0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 3dj1 h ARG 100 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3dj1 h ARG 100 CO 0.96 0.09 0.00 -1.13 2.80 0.00 0.00 179.97 182.70 3dj1 n SER 101 N -4.25 0.00 -4.19 -3.80 3.41 -1.26 -4.57 113.62 98.96 3dj1 n SER 101 Ca -0.03 0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 3dj1 n SER 101 Cb 0.17 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 3dj1 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dj1 s GLU 102 N -2.75 2.34 0.35 4.33 2.02 -0.52 -4.92 118.70 119.55 3dj1 s GLU 102 Ca 0.19 -1.57 0.26 0.00 0.02 0.00 0.00 54.97 53.87 3dj1 s GLU 102 Cb 0.17 -3.60 0.82 0.00 0.10 0.00 0.00 34.13 31.61 3dj1 s GLU 102 CO 0.41 -0.94 1.76 0.93 0.02 0.00 0.00 175.26 177.43 3dj1 h GLU 103 N 8.20 0.00 -5.71 1.61 5.08 -1.82 -3.44 114.58 118.50 3dj1 h GLU 103 Ca -0.19 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.56 3dj1 h GLU 103 Cb 1.07 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.01 3dj1 h GLU 103 CO 0.70 0.00 -0.86 0.08 -1.00 0.00 0.00 179.01 177.93 3dj1 s VAL 104 N -3.28 1.68 -0.25 3.13 1.01 -1.26 -0.95 120.40 120.48 3dj1 s VAL 104 Ca 0.07 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3dj1 s VAL 104 Cb 0.09 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 35.08 3dj1 s VAL 104 CO 0.57 0.48 -0.08 0.54 0.00 0.00 0.00 175.10 176.60 3dj1 s VAL 105 N -0.15 2.64 -0.45 2.92 0.11 -0.10 -4.97 120.40 120.41 3dj1 s VAL 105 Ca -0.01 -1.19 -0.17 0.00 -2.93 0.00 0.00 61.98 57.69 3dj1 s VAL 105 Cb -0.11 -2.38 0.04 0.00 -1.53 0.00 0.00 36.38 32.40 3dj1 s VAL 105 CO 0.02 0.15 0.43 -0.13 -3.33 0.00 0.00 175.10 172.24 3dj1 s ARG 106 N 1.26 3.04 0.02 1.54 0.52 -1.26 -1.22 118.95 122.86 3dj1 s ARG 106 Ca -0.02 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 3dj1 s ARG 106 Cb -0.17 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.21 3dj1 s ARG 106 CO -0.05 -0.95 0.18 -0.51 0.02 0.00 0.00 175.30 173.98 3dj1 s LEU 107 N 1.98 4.28 -0.22 2.53 1.02 0.39 -0.57 118.68 128.09 3dj1 s LEU 107 Ca 0.09 0.27 -0.03 0.00 0.02 0.00 0.00 54.13 54.48 3dj1 s LEU 107 Cb -0.20 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.31 3dj1 s LEU 107 CO 0.10 0.22 -0.06 -0.76 0.02 0.00 0.00 176.35 175.88 3dj1 s LEU 108 N -2.17 2.87 0.28 1.79 1.43 -0.49 -0.06 118.68 122.33 3dj1 s LEU 108 Ca 0.30 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3dj1 s LEU 108 Cb -0.13 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 3dj1 s LEU 108 CO 0.22 -0.04 0.02 0.68 0.23 0.00 0.00 176.35 177.46 3dj1 s VAL 109 N 1.43 1.17 0.02 -1.59 -7.23 -0.09 -0.66 120.40 113.44 3dj1 s VAL 109 Ca 0.05 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 3dj1 s VAL 109 Cb -0.15 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 3dj1 s VAL 109 CO -0.05 -0.18 0.14 0.28 -0.31 0.00 0.00 175.10 174.98 3dj1 s THR 110 N -3.33 0.10 0.09 5.32 -1.32 -0.54 -0.36 115.64 115.60 3dj1 s THR 110 Ca 0.32 -0.87 -0.16 0.00 -1.21 0.00 0.00 61.69 59.77 3dj1 s THR 110 Cb 0.07 -0.69 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 3dj1 s THR 110 CO 0.12 -0.48 0.39 0.00 -2.21 0.00 0.00 174.62 172.44 3dj1 s ARG 111 N -2.04 0.98 0.19 7.08 1.70 -1.26 -1.58 118.95 124.03 3dj1 s ARG 111 Ca -0.10 -0.58 -0.13 0.00 -0.47 0.00 0.00 55.73 54.46 3dj1 s ARG 111 Cb -0.04 0.43 0.20 0.00 -0.57 0.00 0.00 34.95 34.97 3dj1 s ARG 111 CO -0.02 -0.36 1.70 0.37 -1.08 0.00 0.00 175.30 175.92 3dj1 h GLN 112 N 2.68 0.19 0.00 3.89 5.75 -1.97 -2.48 115.11 123.17 3dj1 h GLN 112 Ca -0.33 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 3dj1 h GLN 112 Cb 1.23 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.74 3dj1 h GLN 112 CO 0.46 0.12 0.06 0.66 -2.65 0.00 0.00 178.83 177.48 3dj1 h SER 113 N 0.19 0.00 1.22 -0.69 4.64 -2.01 -2.15 113.55 114.76 3dj1 h SER 113 Ca 0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.50 3dj1 h SER 113 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3dj1 h SER 113 CO -0.36 0.00 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.14 3dj1 h LEU 114 N 0.00 0.00 -2.25 5.97 3.38 -1.81 -3.30 115.31 117.29 3dj1 h LEU 114 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3dj1 h LEU 114 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dj1 h LEU 114 CO 0.00 0.38 0.19 1.56 0.09 0.00 0.00 178.44 180.66 3dj1 h GLN 115 N 0.00 0.00 0.00 1.13 1.08 -1.51 -0.15 115.11 115.65 3dj1 h GLN 115 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dj1 h GLN 115 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3dj1 h GLN 115 CO 0.05 0.00 0.00 1.57 -0.95 0.00 0.00 178.83 179.50 3dj1 h LYS 116 N 0.00 0.00 -0.70 1.46 2.10 -1.78 -2.97 116.57 114.68 3dj1 h LYS 116 Ca 0.08 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.92 3dj1 h LYS 116 Cb 0.45 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 3dj1 h LYS 116 CO -0.00 0.00 0.50 0.00 -2.00 0.00 0.00 179.45 177.95 3dj1 h ALA 117 N 2.19 2.61 -0.28 0.07 0.00 -1.24 0.52 119.26 123.13 3dj1 h ALA 117 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3dj1 h ALA 117 Cb 0.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3dj1 h ALA 117 CO 0.00 -0.81 -0.56 0.28 0.00 0.00 0.00 179.25 178.16 3dj1 h VAL 118 N 0.04 1.27 0.33 0.00 2.07 -1.67 -1.58 116.25 116.71 3dj1 h VAL 118 Ca 0.33 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 3dj1 h VAL 118 Cb 1.28 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3dj1 h VAL 118 CO -0.02 0.57 -0.16 -0.61 0.02 0.00 0.00 177.57 177.37 3dj1 h GLN 119 N 0.66 -0.43 -0.68 1.57 4.15 -0.16 -2.54 115.11 117.68 3dj1 h GLN 119 Ca 0.01 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.56 3dj1 h GLN 119 Cb 1.17 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 3dj1 h GLN 119 CO 0.12 -0.28 0.45 1.96 -1.93 0.00 0.00 178.83 179.16 3dj1 h GLN 120 N -0.47 0.51 -0.50 1.69 4.20 -1.15 0.21 115.11 119.61 3dj1 h GLN 120 Ca -0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3dj1 h GLN 120 Cb 0.36 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3dj1 h GLN 120 CO 0.08 0.34 0.28 0.66 -0.67 0.00 0.00 178.83 179.51 3dj1 h SER 121 N 0.53 0.60 1.48 1.46 4.64 -0.87 -0.41 113.55 120.98 3dj1 h SER 121 Ca 0.31 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3dj1 h SER 121 Cb 0.52 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3dj1 h SER 121 CO -0.10 0.48 -0.02 0.24 -0.87 0.00 0.00 176.83 176.55 3dj1 h MET 122 N 0.69 0.00 0.00 4.77 2.86 -0.73 -3.51 114.93 119.00 3dj1 h MET 122 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3dj1 h MET 122 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3dj1 h MET 122 CO -0.03 0.00 0.00 1.47 1.06 0.00 0.00 176.91 179.41