#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dj3 s VAL 13 N 0.00 2.70 -0.15 1.55 1.01 -1.26 -2.25 120.40 122.00 3dj3 s VAL 13 Ca 0.00 0.44 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 3dj3 s VAL 13 Cb 0.00 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.28 3dj3 s VAL 13 CO 0.00 -0.09 0.77 -1.10 0.00 0.00 0.00 175.10 174.69 3dj3 s GLN 14 N -3.27 0.87 -0.05 2.72 -0.21 -0.54 -4.95 119.66 114.23 3dj3 s GLN 14 Ca 0.76 0.50 -0.04 0.00 0.02 0.00 0.00 55.36 56.60 3dj3 s GLN 14 Cb -0.30 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.09 3dj3 s GLN 14 CO 0.33 -0.21 0.15 1.03 -2.12 0.00 0.00 175.29 174.47 3dj3 s ARG 15 N -0.57 3.40 -0.03 2.91 0.52 -1.26 -1.19 118.95 122.72 3dj3 s ARG 15 Ca -0.05 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 3dj3 s ARG 15 Cb -0.02 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.37 3dj3 s ARG 15 CO 0.05 0.71 -0.02 0.08 0.02 0.00 0.00 175.30 176.14 3dj3 s VAL 16 N -1.20 0.31 -0.40 3.52 1.01 -0.91 -4.98 120.40 117.74 3dj3 s VAL 16 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3dj3 s VAL 16 Cb -0.12 -0.38 0.10 0.00 0.00 0.00 0.00 36.38 35.98 3dj3 s VAL 16 CO 0.13 0.17 0.20 -0.70 0.00 0.00 0.00 175.10 174.90 3dj3 s GLU 17 N 0.95 2.11 -0.30 2.72 -6.30 -1.26 -0.78 118.70 115.85 3dj3 s GLU 17 Ca -0.11 -1.74 -0.14 0.00 -2.50 0.00 0.00 54.97 50.48 3dj3 s GLU 17 Cb -0.14 -3.58 -0.03 0.00 0.00 0.00 0.00 34.13 30.38 3dj3 s GLU 17 CO -0.01 -1.03 0.34 0.42 0.02 0.00 0.00 175.26 175.00 3dj3 s ILE 18 N 1.18 5.19 -0.42 -3.70 1.01 0.92 -4.71 121.20 120.68 3dj3 s ILE 18 Ca 0.07 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.85 3dj3 s ILE 18 Cb -0.23 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.55 3dj3 s ILE 18 CO -0.03 0.08 0.49 -1.00 0.00 0.00 0.00 174.94 174.48 3dj3 s HIS 19 N 2.00 3.14 0.57 3.97 3.76 -1.26 -0.71 115.29 126.76 3dj3 s HIS 19 Ca 0.13 -0.27 -0.20 0.00 -0.15 0.00 0.00 55.06 54.56 3dj3 s HIS 19 Cb -0.16 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 3dj3 s HIS 19 CO 0.11 -0.74 1.22 0.15 -0.85 0.00 0.00 174.74 174.63 3dj3 s LYS 20 N 2.32 3.12 -0.29 1.40 1.02 0.17 -4.74 119.74 122.74 3dj3 s LYS 20 Ca 0.15 1.86 -0.09 0.00 0.02 0.00 0.00 55.97 57.91 3dj3 s LYS 20 Cb -0.16 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 3dj3 s LYS 20 CO 0.15 -1.10 0.14 -1.17 -0.92 0.00 0.00 175.35 172.45 3dj3 s LEU 21 N -3.84 3.91 -0.04 3.17 2.96 -0.79 -4.87 118.68 119.17 3dj3 s LEU 21 Ca 0.75 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 54.15 3dj3 s LEU 21 Cb -0.31 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3dj3 s LEU 21 CO 0.35 -0.12 0.59 -0.60 -1.32 0.00 0.00 176.35 175.25 3dj3 s ARG 22 N 1.65 4.34 -0.53 1.98 3.52 -1.26 -0.17 118.95 128.48 3dj3 s ARG 22 Ca 0.06 0.70 0.06 0.00 -0.13 0.00 0.00 55.73 56.42 3dj3 s ARG 22 Cb -0.16 -3.38 0.22 0.00 -1.56 0.00 0.00 34.95 30.06 3dj3 s ARG 22 CO 0.07 0.26 0.55 1.04 -0.81 0.00 0.00 175.30 176.41 3dj3 n GLN 23 N 3.13 1.37 0.00 5.12 6.02 -1.08 -5.00 117.38 126.95 3dj3 n GLN 23 Ca -0.06 -3.90 0.00 0.00 -0.01 0.00 0.00 57.00 53.03 3dj3 n GLN 23 Cb 0.51 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3dj3 n GLN 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dj3 n GLY 24 N 1.65 1.53 0.07 1.08 0.00 -1.26 -3.29 105.19 104.98 3dj3 n GLY 24 Ca 0.25 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3dj3 n GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dj3 h GLU 25 N 0.00 0.00 -7.13 1.61 4.39 -2.01 -3.47 114.58 107.97 3dj3 h GLU 25 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3dj3 h GLU 25 Cb 0.00 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.71 3dj3 h GLU 25 CO 0.00 0.00 0.19 -0.80 -1.16 0.00 0.00 179.01 177.24 3dj3 s ASN 26 N -4.42 5.57 -0.14 1.42 -0.87 -1.21 -5.05 114.94 110.25 3dj3 s ASN 26 Ca 0.05 0.72 -0.04 0.00 -1.57 0.00 0.00 52.86 52.02 3dj3 s ASN 26 Cb 0.13 -1.70 0.06 0.00 -0.02 0.00 0.00 41.25 39.72 3dj3 s ASN 26 CO 0.74 -1.08 0.17 -0.76 -2.57 0.00 0.00 177.10 173.60 3dj3 s LEU 27 N -5.01 -0.03 -0.19 0.60 1.43 -1.26 -2.62 118.68 111.61 3dj3 s LEU 27 Ca 0.54 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 3dj3 s LEU 27 Cb -0.11 0.24 -0.05 0.00 0.03 0.00 0.00 46.19 46.31 3dj3 s LEU 27 CO 0.45 -0.29 0.16 -0.63 0.23 0.00 0.00 176.35 176.27 3dj3 s ILE 28 N 2.28 5.40 -0.12 -0.59 1.09 0.77 -4.86 121.20 125.16 3dj3 s ILE 28 Ca 0.04 0.25 0.01 0.00 -1.10 0.00 0.00 60.65 59.85 3dj3 s ILE 28 Cb -0.14 -3.49 -0.24 0.00 -1.06 0.00 0.00 42.46 37.53 3dj3 s ILE 28 CO -0.08 0.44 0.37 0.18 -0.10 0.00 0.00 174.94 175.74 3dj3 n LEU 29 N 3.48 2.04 -0.40 2.97 4.77 -1.26 -1.89 117.00 126.71 3dj3 n LEU 29 Ca -0.15 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3dj3 n LEU 29 Cb 0.52 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3dj3 n LEU 29 CO 0.37 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 3dj3 n GLY 30 N 1.89 0.91 3.59 -0.72 0.00 -1.26 -2.04 105.19 107.56 3dj3 n GLY 30 Ca -0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 3dj3 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dj3 s PHE 31 N -2.68 -0.16 0.16 1.61 -0.12 -1.26 -1.73 117.98 113.80 3dj3 s PHE 31 Ca 0.00 0.07 0.07 0.00 -0.05 0.00 0.00 56.93 57.02 3dj3 s PHE 31 Cb 0.00 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3dj3 s PHE 31 CO 0.00 -0.32 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.57 3dj3 s SER 32 N -2.42 2.42 0.11 1.98 0.01 0.10 -4.93 113.70 110.97 3dj3 s SER 32 Ca 0.09 -0.87 0.07 0.00 1.31 0.00 0.00 55.95 56.55 3dj3 s SER 32 Cb -0.00 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 3dj3 s SER 32 CO -0.05 -0.10 -0.17 0.27 0.41 0.00 0.00 173.24 173.61 3dj3 s ILE 33 N -2.26 1.43 0.21 1.44 -4.36 -1.26 -1.58 121.20 114.83 3dj3 s ILE 33 Ca 0.15 -1.57 0.06 0.00 -0.26 0.00 0.00 60.65 59.03 3dj3 s ILE 33 Cb -0.04 -1.44 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 3dj3 s ILE 33 CO 0.05 -0.25 -0.09 -0.83 0.24 0.00 0.00 174.94 174.07 3dj3 s GLY 34 N -2.11 1.43 0.00 6.27 0.00 0.81 -4.83 107.32 108.89 3dj3 s GLY 34 Ca 0.06 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3dj3 s GLY 34 CO 0.04 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.03 3dj3 n GLY 35 N -0.38 -1.31 0.00 0.20 0.00 -1.26 -0.96 105.19 101.49 3dj3 n GLY 35 Ca -0.08 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3dj3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dj3 n GLY 36 N 0.00 3.22 0.28 -0.02 0.00 -1.16 -4.21 105.19 103.31 3dj3 n GLY 36 Ca 0.00 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.26 3dj3 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3dj3 h ILE 37 N 0.00 0.96 -0.35 -0.61 3.07 -1.58 -0.70 117.51 118.29 3dj3 h ILE 37 Ca 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3dj3 h ILE 37 Cb 0.00 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 3dj3 h ILE 37 CO 0.00 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.20 3dj3 n ASP 38 N -4.51 2.61 -4.42 2.16 5.75 -1.26 -4.89 116.55 111.99 3dj3 n ASP 38 Ca -0.01 -2.19 -0.29 0.00 -0.01 0.00 0.00 54.79 52.29 3dj3 n ASP 38 Cb 0.17 -0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 39.75 3dj3 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3dj3 s GLN 39 N -1.65 1.58 -0.53 0.11 -1.52 -0.27 -5.01 119.66 112.36 3dj3 s GLN 39 Ca 0.27 -1.26 -0.28 0.00 -1.95 0.00 0.00 55.36 52.14 3dj3 s GLN 39 Cb 0.17 -1.98 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 3dj3 s GLN 39 CO 0.14 0.47 1.57 0.34 -0.25 0.00 0.00 175.29 177.56 3dj3 s ASP 40 N -1.98 5.91 0.18 5.90 2.15 -1.26 -4.78 116.67 122.79 3dj3 s ASP 40 Ca 0.15 0.47 0.03 0.00 0.43 0.00 0.00 52.55 53.64 3dj3 s ASP 40 Cb -0.10 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 3dj3 s ASP 40 CO 0.07 -1.85 0.84 -2.65 -0.17 0.00 0.00 175.17 171.41 3dj3 n PRO 41 N 8.73 0.03 0.08 4.34 -0.02 -1.26 -0.42 135.00 146.47 3dj3 n PRO 41 Ca 0.16 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3dj3 n PRO 41 Cb 0.49 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 3dj3 n PRO 41 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3dj3 h SER 42 N 0.00 0.00 0.31 2.55 0.02 -1.90 -3.28 113.55 111.24 3dj3 h SER 42 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3dj3 h SER 42 Cb 0.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3dj3 h SER 42 CO 0.00 0.54 -0.43 1.56 -1.14 0.00 0.00 176.83 177.36 3dj3 h GLN 43 N 0.00 0.16 -6.25 3.45 1.08 -1.14 -3.39 115.11 109.02 3dj3 h GLN 43 Ca -0.09 -0.08 -0.56 0.00 -1.45 0.00 0.00 58.65 56.48 3dj3 h GLN 43 Cb 1.49 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.82 3dj3 h GLN 43 CO 0.05 0.56 0.93 1.21 -0.95 0.00 0.00 178.83 180.64 3dj3 s ASN 44 N -6.89 6.24 0.00 1.46 3.04 -1.24 -4.89 114.94 112.67 3dj3 s ASN 44 Ca -0.04 -0.39 0.03 0.00 0.04 0.00 0.00 52.86 52.50 3dj3 s ASN 44 Cb 0.13 -2.53 0.16 0.00 -1.54 0.00 0.00 41.25 37.48 3dj3 s ASN 44 CO 0.76 -1.66 0.65 -0.81 -3.04 0.00 0.00 177.10 173.00 3dj3 n PRO 45 N 8.79 0.08 -0.08 0.43 -0.04 -1.26 -2.17 135.00 140.75 3dj3 n PRO 45 Ca 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 3dj3 n PRO 45 Cb 0.48 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.51 3dj3 n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dj3 n PHE 46 N -1.00 0.19 -2.66 0.54 3.72 -1.26 -5.00 117.46 111.99 3dj3 n PHE 46 Ca 0.02 -0.52 -0.42 0.00 -0.05 0.00 0.00 57.45 56.48 3dj3 n PHE 46 Cb 0.01 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3dj3 n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3dj3 s SER 47 N -1.07 7.33 0.17 4.37 1.04 -0.92 -4.94 113.70 119.68 3dj3 s SER 47 Ca 0.10 1.73 -0.12 0.00 0.48 0.00 0.00 55.95 58.15 3dj3 s SER 47 Cb 0.06 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.68 3dj3 s SER 47 CO 0.06 -0.28 1.71 -0.33 0.98 0.00 0.00 173.24 175.38 3dj3 h GLU 48 N 6.71 0.91 0.00 4.02 5.08 -1.92 -3.47 114.58 125.90 3dj3 h GLU 48 Ca -0.41 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3dj3 h GLU 48 Cb 1.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3dj3 h GLU 48 CO 0.76 0.80 0.00 -0.40 -1.00 0.00 0.00 179.01 179.17 3dj3 n ASP 49 N -4.43 0.32 -0.37 1.42 5.68 -1.26 -5.04 116.55 112.87 3dj3 n ASP 49 Ca 0.03 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.46 3dj3 n ASP 49 Cb 0.19 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.66 3dj3 n ASP 49 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3dj3 n LYS 50 N 0.00 1.32 -0.06 0.11 4.76 -1.26 -3.82 118.16 119.21 3dj3 n LYS 50 Ca 0.00 -0.75 0.03 0.00 -2.87 0.00 0.00 58.31 54.72 3dj3 n LYS 50 Cb 0.00 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.75 3dj3 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3dj3 n THR 51 N -0.18 1.07 -2.73 -0.18 -2.24 -1.26 -4.88 114.28 103.88 3dj3 n THR 51 Ca 0.16 -1.18 -0.43 0.00 -2.27 0.00 0.00 64.05 60.33 3dj3 n THR 51 Cb 0.34 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 3dj3 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dj3 s ASP 52 N -1.45 6.84 -0.02 3.42 2.15 -1.25 -4.78 116.67 121.59 3dj3 s ASP 52 Ca 0.10 -2.44 0.01 0.00 0.43 0.00 0.00 52.55 50.66 3dj3 s ASP 52 Cb 0.09 -2.50 0.07 0.00 -0.30 0.00 0.00 42.92 40.27 3dj3 s ASP 52 CO 0.01 -1.08 0.68 0.29 -0.17 0.00 0.00 175.17 174.91 3dj3 n LYS 53 N 7.42 1.29 -1.45 4.34 4.76 -1.26 -4.81 118.16 128.46 3dj3 n LYS 53 Ca 0.40 -0.25 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 3dj3 n LYS 53 Cb 0.46 -1.47 0.09 0.00 -1.84 0.00 0.00 35.03 32.27 3dj3 n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dj3 s GLY 54 N -0.23 2.21 -0.30 0.72 0.00 -1.26 -2.97 107.32 105.49 3dj3 s GLY 54 Ca 0.04 0.74 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 3dj3 s GLY 54 CO 0.02 1.13 0.61 -0.42 0.00 0.00 0.00 173.10 174.44 3dj3 s ILE 55 N -2.17 4.96 0.10 0.90 -1.09 -1.26 -3.58 121.20 119.05 3dj3 s ILE 55 Ca 0.71 0.84 0.10 0.00 -2.23 0.00 0.00 60.65 60.06 3dj3 s ILE 55 Cb -0.26 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 3dj3 s ILE 55 CO 0.46 -0.11 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.51 3dj3 s TYR 56 N 2.56 2.41 -0.50 3.97 2.02 -0.13 -1.13 117.35 126.55 3dj3 s TYR 56 Ca 0.24 -0.33 -0.27 0.00 -0.37 0.00 0.00 57.07 56.34 3dj3 s TYR 56 Cb -0.15 -1.33 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3dj3 s TYR 56 CO 0.11 0.31 1.04 0.08 -1.57 0.00 0.00 175.55 175.52 3dj3 s VAL 57 N -1.02 4.30 -0.17 0.71 1.01 0.74 -0.13 120.40 125.83 3dj3 s VAL 57 Ca 0.15 0.86 0.22 0.00 0.00 0.00 0.00 61.98 63.21 3dj3 s VAL 57 Cb -0.10 -4.55 -0.11 0.00 0.00 0.00 0.00 36.38 31.61 3dj3 s VAL 57 CO 0.06 -1.02 0.86 0.35 0.00 0.00 0.00 175.10 175.36 3dj3 n THR 58 N 6.57 0.46 -3.70 3.92 -2.24 -0.61 0.10 114.28 118.79 3dj3 n THR 58 Ca 0.08 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 3dj3 n THR 58 Cb 0.49 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 3dj3 n THR 58 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dj3 s ARG 59 N -3.39 0.65 -0.21 -0.78 3.52 -1.18 -4.87 118.95 112.70 3dj3 s ARG 59 Ca -0.03 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 55.97 3dj3 s ARG 59 Cb 0.11 0.31 0.06 0.00 -1.56 0.00 0.00 34.95 33.87 3dj3 s ARG 59 CO 0.83 -0.13 0.03 0.08 -0.81 0.00 0.00 175.30 175.30 3dj3 s VAL 60 N -0.30 0.60 -0.19 7.11 1.01 -1.26 0.02 120.40 127.40 3dj3 s VAL 60 Ca -0.05 -0.65 -0.33 0.00 0.00 0.00 0.00 61.98 60.95 3dj3 s VAL 60 Cb -0.03 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.13 3dj3 s VAL 60 CO 0.03 -0.24 2.06 -1.20 0.00 0.00 0.00 175.10 175.75 3dj3 n SER 61 N 5.02 3.09 -4.66 3.32 7.64 -0.71 -4.87 113.62 122.45 3dj3 n SER 61 Ca -0.09 0.62 -0.42 0.00 1.01 0.00 0.00 58.87 59.99 3dj3 n SER 61 Cb 0.47 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 3dj3 n SER 61 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3dj3 s GLU 62 N 5.27 4.16 0.00 1.43 2.12 -1.26 -1.41 118.70 129.01 3dj3 s GLU 62 Ca 0.99 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.77 3dj3 s GLU 62 Cb -0.63 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 29.71 3dj3 s GLU 62 CO 0.46 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 3dj3 n GLY 63 N 4.36 0.59 3.92 -1.50 0.00 -1.26 -5.08 105.19 106.22 3dj3 n GLY 63 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3dj3 n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dj3 s GLY 64 N -1.34 1.67 0.63 -0.02 0.00 -0.50 -4.90 107.32 102.86 3dj3 s GLY 64 Ca 0.00 -0.90 0.41 0.00 0.00 0.00 0.00 44.72 44.23 3dj3 s GLY 64 CO 0.00 -0.30 2.27 -0.56 0.00 0.00 0.00 173.10 174.51 3dj3 h PRO 65 N -1.26 0.00 0.13 2.90 0.13 -1.85 -2.29 132.00 129.77 3dj3 h PRO 65 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 3dj3 h PRO 65 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 3dj3 h PRO 65 CO 0.54 0.01 -1.24 0.00 -0.23 0.00 0.00 178.00 177.08 3dj3 h ALA 66 N 1.99 0.09 -0.24 -0.56 0.00 -1.63 -2.09 119.26 116.82 3dj3 h ALA 66 Ca -0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 3dj3 h ALA 66 Cb 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dj3 h ALA 66 CO 0.00 0.89 -0.18 1.49 0.00 0.00 0.00 179.25 181.45 3dj3 h GLU 67 N 0.12 0.55 -0.35 0.00 4.81 -1.67 0.90 114.58 118.94 3dj3 h GLU 67 Ca -0.15 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3dj3 h GLU 67 Cb 1.95 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 3dj3 h GLU 67 CO 0.21 0.85 0.08 0.82 -0.73 0.00 0.00 179.01 180.24 3dj3 h ILE 68 N 0.26 1.16 0.00 2.32 2.04 -1.55 -1.99 117.51 119.75 3dj3 h ILE 68 Ca 0.05 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3dj3 h ILE 68 Cb 0.72 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3dj3 h ILE 68 CO 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 178.15 178.36 3dj3 h ALA 69 N 1.60 0.98 0.00 1.87 0.00 -1.17 -3.47 119.26 119.07 3dj3 h ALA 69 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dj3 h ALA 69 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dj3 h ALA 69 CO -0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3dj3 n GLY 70 N 0.67 1.83 3.82 0.00 0.00 -0.63 -4.36 105.19 106.51 3dj3 n GLY 70 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3dj3 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dj3 s LEU 71 N 0.00 4.50 0.06 0.99 1.98 0.22 -5.02 118.68 121.40 3dj3 s LEU 71 Ca 0.00 1.13 0.04 0.00 -2.89 0.00 0.00 54.13 52.40 3dj3 s LEU 71 Cb 0.00 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 44.04 3dj3 s LEU 71 CO 0.00 0.29 -0.11 -1.10 -1.89 0.00 0.00 176.35 173.54 3dj3 s GLN 72 N -1.15 0.67 0.45 1.98 -0.21 -1.26 -4.60 119.66 115.54 3dj3 s GLN 72 Ca 0.27 -0.85 -0.24 0.00 0.02 0.00 0.00 55.36 54.57 3dj3 s GLN 72 Cb -0.18 -0.55 -0.09 0.00 1.00 0.00 0.00 33.01 33.19 3dj3 s GLN 72 CO 0.17 0.11 1.09 -0.89 -2.12 0.00 0.00 175.29 173.65 3dj3 n ILE 73 N 1.39 2.70 0.00 1.08 5.41 -1.26 -1.59 119.36 127.10 3dj3 n ILE 73 Ca -0.22 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.03 3dj3 n ILE 73 Cb 0.54 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 3dj3 n ILE 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dj3 n GLY 74 N 1.08 1.75 3.70 7.39 0.00 0.29 -4.98 105.19 114.43 3dj3 n GLY 74 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3dj3 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dj3 s ASP 75 N -2.85 6.54 -0.32 1.61 1.11 -0.62 -4.63 116.67 117.50 3dj3 s ASP 75 Ca 0.00 2.62 -0.15 0.00 0.18 0.00 0.00 52.55 55.20 3dj3 s ASP 75 Cb 0.00 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 3dj3 s ASP 75 CO 0.00 -0.90 0.36 -0.75 1.18 0.00 0.00 175.17 175.05 3dj3 s LYS 76 N 2.08 3.69 -0.42 8.23 2.20 -0.72 -0.19 119.74 134.61 3dj3 s LYS 76 Ca 0.74 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 3dj3 s LYS 76 Cb -0.43 -3.76 0.02 0.00 -1.51 0.00 0.00 37.83 32.15 3dj3 s LYS 76 CO 0.33 -0.45 1.09 0.42 -0.36 0.00 0.00 175.35 176.38 3dj3 s ILE 77 N 2.02 4.34 -0.05 5.43 1.09 -0.28 -1.61 121.20 132.14 3dj3 s ILE 77 Ca 0.12 1.35 0.13 0.00 -1.10 0.00 0.00 60.65 61.16 3dj3 s ILE 77 Cb -0.16 -4.52 -0.16 0.00 -1.06 0.00 0.00 42.46 36.55 3dj3 s ILE 77 CO 0.11 -0.81 0.91 0.24 -0.10 0.00 0.00 174.94 175.30 3dj3 h MET 78 N 8.82 0.00 -3.09 2.79 2.86 0.08 -3.41 114.93 122.99 3dj3 h MET 78 Ca -0.22 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 3dj3 h MET 78 Cb 1.06 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.51 3dj3 h MET 78 CO 1.08 0.52 -0.32 -1.14 1.06 0.00 0.00 176.91 178.12 3dj3 s GLN 79 N -2.76 0.59 -0.38 1.72 0.74 -0.81 -1.12 119.66 117.64 3dj3 s GLN 79 Ca -0.02 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.28 3dj3 s GLN 79 Cb 0.09 0.26 0.13 0.00 1.10 0.00 0.00 33.01 34.59 3dj3 s GLN 79 CO 0.81 -0.15 0.21 0.08 -0.55 0.00 0.00 175.29 175.69 3dj3 s VAL 80 N -1.09 0.76 -0.79 1.34 1.01 -0.57 -1.22 120.40 119.84 3dj3 s VAL 80 Ca -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.86 3dj3 s VAL 80 Cb -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3dj3 s VAL 80 CO 0.03 -0.91 0.00 0.59 0.00 0.00 0.00 175.10 174.82 3dj3 n ASN 81 N 3.96 -3.19 0.00 3.32 5.03 0.97 -2.48 115.26 122.86 3dj3 n ASN 81 Ca 0.08 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.54 3dj3 n ASN 81 Cb 0.37 -2.42 0.00 0.00 -1.02 0.00 0.00 39.78 36.71 3dj3 n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dj3 n GLY 82 N -1.06 2.70 3.58 7.41 0.00 -1.26 -5.02 105.19 111.53 3dj3 n GLY 82 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3dj3 n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dj3 s TRP 83 N -2.73 2.22 0.24 1.61 0.52 -1.04 -4.97 118.94 114.80 3dj3 s TRP 83 Ca 0.00 0.56 -0.31 0.00 0.02 0.00 0.00 56.10 56.37 3dj3 s TRP 83 Cb 0.00 -4.32 -0.13 0.00 -1.15 0.00 0.00 33.47 27.87 3dj3 s TRP 83 CO 0.00 -2.09 1.55 -3.47 0.02 0.00 0.00 176.95 172.96 3dj3 n ASP 84 N 9.74 3.36 -0.28 2.95 -0.08 -1.26 -1.51 116.55 129.47 3dj3 n ASP 84 Ca 0.15 1.12 0.03 0.00 -1.51 0.00 0.00 54.79 54.58 3dj3 n ASP 84 Cb 0.49 -1.50 0.03 0.00 2.34 0.00 0.00 41.12 42.48 3dj3 n ASP 84 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3dj3 n MET 85 N 2.63 0.10 0.45 -0.67 2.81 -0.28 -4.80 117.12 117.36 3dj3 n MET 85 Ca 0.12 -0.95 -0.18 0.00 -1.81 0.00 0.00 57.70 54.88 3dj3 n MET 85 Cb 0.33 -1.13 -0.09 0.00 -0.71 0.00 0.00 33.22 31.62 3dj3 n MET 85 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3dj3 h THR 86 N 1.32 0.00 -2.13 2.03 1.35 -1.81 -3.31 112.91 110.35 3dj3 h THR 86 Ca 0.00 0.00 -0.77 0.00 -0.55 0.00 0.00 66.41 65.09 3dj3 h THR 86 Cb 0.30 0.00 -0.28 0.00 -1.73 0.00 0.00 68.15 66.44 3dj3 h THR 86 CO 0.00 0.00 0.89 0.23 -0.25 0.00 0.00 175.52 176.39 3dj3 n MET 87 N -5.15 4.26 -4.33 4.72 2.81 -1.26 -4.49 117.12 113.68 3dj3 n MET 87 Ca -0.14 -4.25 -0.24 0.00 -1.81 0.00 0.00 57.70 51.26 3dj3 n MET 87 Cb 0.46 -2.37 -0.12 0.00 -0.71 0.00 0.00 33.22 30.48 3dj3 n MET 87 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dj3 s VAL 88 N -4.67 1.88 0.85 2.03 -7.23 -1.25 -4.97 120.40 107.05 3dj3 s VAL 88 Ca 0.45 -1.80 -0.14 0.00 -1.81 0.00 0.00 61.98 58.67 3dj3 s VAL 88 Cb 0.30 -1.80 0.21 0.00 0.56 0.00 0.00 36.38 35.65 3dj3 s VAL 88 CO -0.24 -0.18 0.77 0.35 -0.31 0.00 0.00 175.10 175.49 3dj3 n THR 89 N 0.58 0.00 0.04 5.32 -2.24 -1.26 -2.31 114.28 114.41 3dj3 n THR 89 Ca -0.15 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.08 3dj3 n THR 89 Cb 0.56 -1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 67.47 3dj3 n THR 89 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3dj3 h HIS 90 N -2.31 0.67 0.00 4.78 2.76 -1.88 -3.18 115.15 115.99 3dj3 h HIS 90 Ca -0.29 -0.42 -0.07 0.00 -2.20 0.00 0.00 60.37 57.40 3dj3 h HIS 90 Cb 0.87 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 3dj3 h HIS 90 CO 0.00 1.27 -0.34 -0.44 -1.30 0.00 0.00 177.93 177.12 3dj3 h ASP 91 N -0.12 0.00 0.02 3.26 3.32 -1.93 -2.21 116.42 118.76 3dj3 h ASP 91 Ca -0.12 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 3dj3 h ASP 91 Cb 1.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 3dj3 h ASP 91 CO 0.15 0.34 -0.33 1.56 -1.72 0.00 0.00 179.24 179.24 3dj3 h GLN 92 N 0.00 0.44 0.01 3.56 4.20 -1.93 -1.54 115.11 119.85 3dj3 h GLN 92 Ca -0.00 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 3dj3 h GLN 92 Cb 0.75 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3dj3 h GLN 92 CO 0.04 0.71 -0.00 0.00 -0.67 0.00 0.00 178.83 178.91 3dj3 h ALA 93 N 1.28 -0.01 0.00 3.87 0.00 -1.47 -3.09 119.26 119.83 3dj3 h ALA 93 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3dj3 h ALA 93 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3dj3 h ALA 93 CO 0.06 -0.09 -0.04 -0.09 0.00 0.00 0.00 179.25 179.09 3dj3 h ARG 94 N -0.85 0.00 -0.11 0.00 2.43 -1.43 -1.75 114.38 112.67 3dj3 h ARG 94 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3dj3 h ARG 94 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3dj3 h ARG 94 CO 0.00 0.04 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.01 3dj3 h LYS 95 N 0.00 0.37 0.00 0.20 3.64 -1.34 -2.60 116.57 116.85 3dj3 h LYS 95 Ca -0.00 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 3dj3 h LYS 95 Cb 0.18 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3dj3 h LYS 95 CO 0.01 0.87 -0.17 0.00 -2.27 0.00 0.00 179.45 177.89 3dj3 h ARG 96 N -0.06 0.00 0.00 1.90 2.47 -1.25 -3.03 114.38 114.41 3dj3 h ARG 96 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 3dj3 h ARG 96 Cb 0.89 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 3dj3 h ARG 96 CO 0.06 0.17 -1.28 -0.07 0.56 0.00 0.00 179.97 179.41 3dj3 h LEU 97 N 0.00 0.00 -2.66 3.04 3.38 -1.44 -3.39 115.31 114.24 3dj3 h LEU 97 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dj3 h LEU 97 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dj3 h LEU 97 CO 0.02 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.65 3dj3 n THR 98 N -3.06 0.87 -1.70 0.22 -2.24 -0.98 -4.99 114.28 102.39 3dj3 n THR 98 Ca -0.08 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.33 3dj3 n THR 98 Cb 0.90 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3dj3 n THR 98 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dj3 n LYS 99 N 1.23 2.38 0.09 -0.78 4.76 -1.19 -4.88 118.16 119.77 3dj3 n LYS 99 Ca 0.19 0.85 -0.05 0.00 -2.87 0.00 0.00 58.31 56.43 3dj3 n LYS 99 Cb 0.54 -2.59 0.01 0.00 -1.84 0.00 0.00 35.03 31.15 3dj3 n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dj3 h ARG 100 N 4.88 0.04 0.00 1.97 3.08 -1.94 -2.98 114.38 119.43 3dj3 h ARG 100 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3dj3 h ARG 100 Cb 1.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3dj3 h ARG 100 CO 0.81 0.85 0.00 -1.13 -1.07 0.00 0.00 179.97 179.43 3dj3 n SER 101 N -3.58 0.00 -3.94 7.04 3.41 -1.26 -4.39 113.62 110.91 3dj3 n SER 101 Ca -0.01 -0.36 -0.29 0.00 -0.26 0.00 0.00 58.87 57.95 3dj3 n SER 101 Cb 0.80 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.58 3dj3 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dj3 s GLU 102 N -2.00 1.72 0.00 4.33 2.02 -1.13 -4.97 118.70 118.67 3dj3 s GLU 102 Ca 0.14 -0.60 0.24 0.00 0.02 0.00 0.00 54.97 54.76 3dj3 s GLU 102 Cb 0.06 -2.11 0.22 0.00 0.10 0.00 0.00 34.13 32.40 3dj3 s GLU 102 CO 0.11 -0.40 1.22 0.39 0.02 0.00 0.00 175.26 176.60 3dj3 n GLU 103 N 4.81 0.48 -4.27 1.61 1.02 -1.26 -4.80 120.64 118.23 3dj3 n GLU 103 Ca -0.13 -0.35 -0.19 0.00 -0.02 0.00 0.00 57.16 56.47 3dj3 n GLU 103 Cb 0.48 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 3dj3 n GLU 103 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dj3 s VAL 104 N -2.76 0.60 -0.03 2.62 1.01 -1.26 0.46 120.40 121.04 3dj3 s VAL 104 Ca 0.15 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3dj3 s VAL 104 Cb 0.18 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3dj3 s VAL 104 CO 0.68 0.19 -0.08 0.54 0.00 0.00 0.00 175.10 176.43 3dj3 s VAL 105 N 0.19 0.73 -0.23 2.92 0.11 0.11 -4.99 120.40 119.24 3dj3 s VAL 105 Ca -0.02 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 3dj3 s VAL 105 Cb -0.07 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3dj3 s VAL 105 CO 0.00 0.24 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.79 3dj3 s ARG 106 N 0.30 2.92 0.32 1.54 0.52 -1.26 -0.05 118.95 123.23 3dj3 s ARG 106 Ca -0.05 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.32 3dj3 s ARG 106 Cb -0.09 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 3dj3 s ARG 106 CO 0.01 -0.34 0.39 -0.51 0.02 0.00 0.00 175.30 174.86 3dj3 s LEU 107 N 1.33 3.90 -0.19 2.53 1.02 0.04 -0.02 118.68 127.30 3dj3 s LEU 107 Ca 0.01 -0.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.90 3dj3 s LEU 107 Cb -0.16 -2.59 0.06 0.00 0.02 0.00 0.00 46.19 43.52 3dj3 s LEU 107 CO -0.06 -0.34 0.02 -0.22 0.02 0.00 0.00 176.35 175.77 3dj3 s LEU 108 N -4.08 1.37 0.49 1.79 1.98 -0.36 -2.15 118.68 117.71 3dj3 s LEU 108 Ca 0.42 -0.84 0.02 0.00 -2.89 0.00 0.00 54.13 50.84 3dj3 s LEU 108 Cb -0.08 -0.68 -0.02 0.00 0.66 0.00 0.00 46.19 46.07 3dj3 s LEU 108 CO 0.29 -0.29 0.03 0.68 -1.89 0.00 0.00 176.35 175.17 3dj3 s VAL 109 N 1.79 1.08 0.00 1.68 -7.23 -0.34 0.80 120.40 118.18 3dj3 s VAL 109 Ca -0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3dj3 s VAL 109 Cb -0.17 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 3dj3 s VAL 109 CO -0.08 0.00 0.03 0.28 -0.31 0.00 0.00 175.10 175.03 3dj3 s THR 110 N -2.94 0.06 0.02 5.32 -1.32 -0.63 -1.46 115.64 114.70 3dj3 s THR 110 Ca 0.10 -0.53 -0.14 0.00 -1.21 0.00 0.00 61.69 59.91 3dj3 s THR 110 Cb 0.02 -0.22 0.02 0.00 -1.51 0.00 0.00 72.50 70.81 3dj3 s THR 110 CO 0.06 -0.29 0.31 0.00 -2.21 0.00 0.00 174.62 172.48 3dj3 s ARG 111 N -0.89 0.76 0.00 7.08 1.70 -0.95 -1.75 118.95 124.90 3dj3 s ARG 111 Ca -0.10 -0.39 0.14 0.00 -0.47 0.00 0.00 55.73 54.91 3dj3 s ARG 111 Cb -0.06 0.33 0.11 0.00 -0.57 0.00 0.00 34.95 34.76 3dj3 s ARG 111 CO -0.00 -0.23 0.94 0.00 -1.08 0.00 0.00 175.30 174.93