#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 5.11 0.05 2.52 1.01 -1.26 -0.96 120.40 126.87 3dj3 s VAL 13 Ca 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 3dj3 s VAL 13 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3dj3 s VAL 13 CO 0.00 0.15 0.10 -1.58 0.00 0.00 0.00 175.10 173.77 3dj3 s GLN 14 N 1.84 0.66 0.04 2.72 0.74 -0.76 -5.01 119.66 119.88 3dj3 s GLN 14 Ca 0.22 -0.90 -0.08 0.00 0.05 0.00 0.00 55.36 54.65 3dj3 s GLN 14 Cb -0.15 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.16 3dj3 s GLN 14 CO 0.09 -0.17 0.32 0.50 -0.55 0.00 0.00 175.29 175.48 3dj3 s ARG 15 N -3.21 3.65 -0.10 1.67 3.52 -1.26 -1.71 118.95 121.51 3dj3 s ARG 15 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3dj3 s ARG 15 Cb 0.02 -3.05 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 3dj3 s ARG 15 CO -0.07 0.61 -0.05 0.08 -0.81 0.00 0.00 175.30 175.05 3dj3 s VAL 16 N -1.34 0.83 -0.23 7.11 1.01 -0.54 -4.98 120.40 122.27 3dj3 s VAL 16 Ca 0.30 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 3dj3 s VAL 16 Cb -0.13 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3dj3 s VAL 16 CO 0.17 0.33 0.13 -1.61 0.00 0.00 0.00 175.10 174.13 3dj3 s GLU 17 N 1.74 4.03 -0.03 2.72 2.02 -1.26 -0.44 118.70 127.47 3dj3 s GLU 17 Ca 0.04 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 54.78 3dj3 s GLU 17 Cb -0.13 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 3dj3 s GLU 17 CO -0.07 0.10 -0.15 0.42 0.02 0.00 0.00 175.26 175.58 3dj3 s ILE 18 N 0.92 1.26 -0.23 -1.63 1.01 -1.03 -4.66 121.20 116.85 3dj3 s ILE 18 Ca 0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3dj3 s ILE 18 Cb -0.13 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 3dj3 s ILE 18 CO 0.03 0.37 0.01 -1.00 0.00 0.00 0.00 174.94 174.35 3dj3 s HIS 19 N -0.01 3.02 0.89 3.97 3.76 -1.26 -1.34 115.29 124.32 3dj3 s HIS 19 Ca -0.02 -0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 54.15 3dj3 s HIS 19 Cb -0.10 -2.16 0.13 0.00 1.11 0.00 0.00 32.58 31.56 3dj3 s HIS 19 CO 0.01 -0.42 1.12 0.15 -0.85 0.00 0.00 174.74 174.75 3dj3 s LYS 20 N 1.46 1.27 0.28 1.40 1.02 0.24 -4.83 119.74 120.58 3dj3 s LYS 20 Ca 0.05 1.36 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 3dj3 s LYS 20 Cb -0.15 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 3dj3 s LYS 20 CO 0.00 -2.40 0.49 -1.17 -0.92 0.00 0.00 175.35 171.35 3dj3 s LEU 21 N -6.43 4.11 -0.28 3.17 2.96 -0.16 -4.85 118.68 117.20 3dj3 s LEU 21 Ca 0.65 0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 3dj3 s LEU 21 Cb -0.21 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 3dj3 s LEU 21 CO 0.58 -0.17 0.11 -0.60 -1.32 0.00 0.00 176.35 174.94 3dj3 s ARG 22 N -3.75 3.47 -0.51 1.98 6.06 -1.26 -0.91 118.95 124.04 3dj3 s ARG 22 Ca 0.40 -0.61 0.04 0.00 -2.50 0.00 0.00 55.73 53.06 3dj3 s ARG 22 Cb -0.10 -3.43 0.40 0.00 0.06 0.00 0.00 34.95 31.88 3dj3 s ARG 22 CO 0.32 -0.31 1.20 0.94 -2.50 0.00 0.00 175.30 174.95 3dj3 n GLN 23 N 4.94 3.37 0.00 5.12 -0.06 0.12 -4.95 117.38 125.92 3dj3 n GLN 23 Ca -0.15 -4.45 0.00 0.00 -2.00 0.00 0.00 57.00 50.40 3dj3 n GLN 23 Cb 0.50 -2.25 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 3dj3 n GLN 23 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3dj3 n GLY 24 N -0.45 1.51 0.47 1.69 0.00 -1.26 -3.39 105.19 103.76 3dj3 n GLY 24 Ca 0.40 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3dj3 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dj3 n GLU 25 N 0.00 2.51 -4.33 1.61 -0.58 -1.26 -5.01 120.64 113.59 3dj3 n GLU 25 Ca 0.00 -2.35 -0.29 0.00 -0.42 0.00 0.00 57.16 54.10 3dj3 n GLU 25 Cb 0.00 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.28 3dj3 n GLU 25 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dj3 s ASN 26 N -1.79 3.73 -0.48 1.62 0.02 -1.22 -5.08 114.94 111.74 3dj3 s ASN 26 Ca 0.28 -0.62 0.03 0.00 -1.02 0.00 0.00 52.86 51.53 3dj3 s ASN 26 Cb 0.21 -0.45 0.13 0.00 0.02 0.00 0.00 41.25 41.16 3dj3 s ASN 26 CO 0.07 0.17 0.24 -0.76 0.02 0.00 0.00 177.10 176.85 3dj3 s LEU 27 N -2.17 3.79 0.03 0.60 1.43 -1.24 -0.70 118.68 120.42 3dj3 s LEU 27 Ca 0.17 -2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 50.15 3dj3 s LEU 27 Cb -0.10 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3dj3 s LEU 27 CO 0.09 -0.25 1.22 -0.63 0.23 0.00 0.00 176.35 177.01 3dj3 s ILE 28 N 0.01 4.04 -0.05 -0.59 1.01 -0.08 -4.74 121.20 120.79 3dj3 s ILE 28 Ca 0.17 1.44 -0.02 0.00 0.00 0.00 0.00 60.65 62.24 3dj3 s ILE 28 Cb -0.25 -3.92 -0.26 0.00 0.01 0.00 0.00 42.46 38.03 3dj3 s ILE 28 CO -0.01 0.07 0.63 -0.07 0.00 0.00 0.00 174.94 175.57 3dj3 h LEU 29 N 7.29 0.34 -0.29 2.97 3.38 -1.94 -0.41 115.31 126.65 3dj3 h LEU 29 Ca -0.39 -0.61 -0.17 0.00 0.09 0.00 0.00 57.88 56.80 3dj3 h LEU 29 Cb 1.20 -0.11 0.04 0.00 0.09 0.00 0.00 40.66 41.87 3dj3 h LEU 29 CO 0.84 1.53 -0.26 0.61 0.09 0.00 0.00 178.44 181.25 3dj3 n GLY 30 N 1.77 0.25 3.64 0.83 0.00 -1.26 -3.23 105.19 107.19 3dj3 n GLY 30 Ca -0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.92 -0.17 0.29 1.61 -0.12 -1.26 -0.65 117.98 114.77 3dj3 s PHE 31 Ca 0.17 0.39 0.09 0.00 -0.05 0.00 0.00 56.93 57.54 3dj3 s PHE 31 Cb -0.07 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 3dj3 s PHE 31 CO 0.21 -0.09 0.00 -1.12 -0.05 0.00 0.00 175.22 174.17 3dj3 s SER 32 N -0.07 4.40 0.30 1.98 0.01 -0.37 -5.00 113.70 114.95 3dj3 s SER 32 Ca 0.06 -0.77 0.10 0.00 1.31 0.00 0.00 55.95 56.65 3dj3 s SER 32 Cb -0.04 -0.71 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 3dj3 s SER 32 CO -0.12 -0.09 -0.09 0.27 0.41 0.00 0.00 173.24 173.62 3dj3 s ILE 33 N -2.40 2.72 0.04 1.44 -4.36 -1.26 -2.81 121.20 114.56 3dj3 s ILE 33 Ca 0.33 -2.16 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 3dj3 s ILE 33 Cb -0.04 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 3dj3 s ILE 33 CO 0.20 -0.32 -0.13 -0.83 0.24 0.00 0.00 174.94 174.10 3dj3 s GLY 34 N -3.61 0.74 0.00 6.27 0.00 -0.25 -4.79 107.32 105.67 3dj3 s GLY 34 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3dj3 s GLY 34 CO 0.17 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 173.09 3dj3 n GLY 35 N 1.86 0.52 0.00 0.20 0.00 -1.26 -0.28 105.19 106.23 3dj3 n GLY 35 Ca -0.18 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 2.50 0.17 -0.02 0.00 -1.03 -4.27 105.19 102.54 3dj3 n GLY 36 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 3dj3 n GLY 36 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dj3 h ILE 37 N 0.00 1.36 0.00 -0.61 2.04 -1.40 -3.23 117.51 115.67 3dj3 h ILE 37 Ca 0.00 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.86 3dj3 h ILE 37 Cb 0.00 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3dj3 h ILE 37 CO 0.00 0.60 0.00 -0.90 0.00 0.00 0.00 178.15 177.85 3dj3 n ASP 38 N -4.13 0.00 -4.92 1.72 5.75 -1.26 -4.73 116.55 108.98 3dj3 n ASP 38 Ca -0.09 0.50 -0.29 0.00 -0.01 0.00 0.00 54.79 54.89 3dj3 n ASP 38 Cb 0.69 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 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 -3.00 3.55 -0.38 0.11 -1.52 -1.22 -5.07 119.66 112.14 3dj3 s GLN 39 Ca 0.04 -0.25 -0.24 0.00 -1.95 0.00 0.00 55.36 52.96 3dj3 s GLN 39 Cb 0.05 -2.85 0.01 0.00 -0.22 0.00 0.00 33.01 30.01 3dj3 s GLN 39 CO 0.15 0.43 0.85 0.34 -0.25 0.00 0.00 175.29 176.81 3dj3 s ASP 40 N -2.87 6.58 0.30 5.90 -1.08 -1.26 -4.90 116.67 119.34 3dj3 s ASP 40 Ca 0.39 0.37 0.03 0.00 -0.52 0.00 0.00 52.55 52.82 3dj3 s ASP 40 Cb -0.11 -2.43 0.75 0.00 -1.46 0.00 0.00 42.92 39.67 3dj3 s ASP 40 CO 0.28 -0.83 1.49 -2.65 0.52 0.00 0.00 175.17 173.98 3dj3 n PRO 41 N 6.66 -0.08 -0.31 4.34 -0.02 -1.26 -0.76 135.00 143.58 3dj3 n PRO 41 Ca 0.05 1.42 0.10 0.00 -2.02 0.00 0.00 63.50 63.05 3dj3 n PRO 41 Cb 0.48 -2.27 0.26 0.00 -0.02 0.00 0.00 33.50 31.96 3dj3 n PRO 41 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dj3 h SER 42 N 0.00 0.50 0.00 2.55 4.64 -1.93 1.17 113.55 120.48 3dj3 h SER 42 Ca 0.59 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3dj3 h SER 42 Cb 1.23 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3dj3 h SER 42 CO -0.89 0.16 0.09 1.56 -0.87 0.00 0.00 176.83 176.87 3dj3 h GLN 43 N 0.57 0.00 -4.59 4.77 4.20 -1.36 -3.33 115.11 115.36 3dj3 h GLN 43 Ca 0.51 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.52 3dj3 h GLN 43 Cb 0.82 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.40 3dj3 h GLN 43 CO -0.42 0.00 -0.45 1.21 -0.67 0.00 0.00 178.83 178.50 3dj3 s ASN 44 N -4.82 6.08 0.00 1.46 3.04 0.40 -4.95 114.94 116.16 3dj3 s ASN 44 Ca -0.04 -0.69 0.30 0.00 0.04 0.00 0.00 52.86 52.47 3dj3 s ASN 44 Cb 0.11 -2.15 1.68 0.00 -1.54 0.00 0.00 41.25 39.36 3dj3 s ASN 44 CO 0.35 -0.36 2.11 -0.81 -3.04 0.00 0.00 177.10 175.35 3dj3 n PRO 45 N 5.13 0.70 -0.00 0.43 -0.04 -1.25 -3.25 135.00 136.72 3dj3 n PRO 45 Ca -0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 3dj3 n PRO 45 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.14 0.00 -1.71 0.54 3.72 -1.26 -4.93 117.46 112.68 3dj3 n PHE 46 Ca 0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 3dj3 n PHE 46 Cb 0.17 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.75 6.20 0.43 4.37 1.04 -1.20 -4.82 113.70 116.96 3dj3 s SER 47 Ca 0.04 2.36 0.23 0.00 0.48 0.00 0.00 55.95 59.05 3dj3 s SER 47 Cb 0.12 -2.53 1.22 0.00 0.10 0.00 0.00 66.02 64.93 3dj3 s SER 47 CO 0.65 -1.30 1.76 -0.33 0.98 0.00 0.00 173.24 175.00 3dj3 h GLU 48 N 11.70 0.28 0.00 4.02 5.08 -1.91 -3.45 114.58 130.29 3dj3 h GLU 48 Ca -0.45 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3dj3 h GLU 48 Cb 1.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dj3 h GLU 48 CO 0.95 0.18 0.24 -0.40 -1.00 0.00 0.00 179.01 178.98 3dj3 n ASP 49 N -4.56 -1.39 0.21 1.42 5.68 -1.26 -5.02 116.55 111.63 3dj3 n ASP 49 Ca 0.27 -1.90 0.14 0.00 -0.50 0.00 0.00 54.79 52.80 3dj3 n ASP 49 Cb 1.01 2.30 0.74 0.00 -1.14 0.00 0.00 41.12 44.03 3dj3 n ASP 49 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3dj3 h LYS 50 N 0.00 0.00 -0.18 0.11 1.79 -1.96 -1.36 116.57 114.97 3dj3 h LYS 50 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3dj3 h LYS 50 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3dj3 h LYS 50 CO 0.26 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.88 3dj3 n THR 51 N -2.50 0.22 -2.70 -0.16 -2.24 -1.26 -4.77 114.28 100.88 3dj3 n THR 51 Ca -0.01 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 3dj3 n THR 51 Cb 0.08 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.66 6.59 -0.46 3.42 -1.08 -0.52 -4.80 116.67 118.16 3dj3 s ASP 52 Ca 0.30 -1.77 0.02 0.00 -0.52 0.00 0.00 52.55 50.59 3dj3 s ASP 52 Cb 0.20 -2.51 0.55 0.00 -1.46 0.00 0.00 42.92 39.70 3dj3 s ASP 52 CO 0.29 -1.31 1.88 0.29 0.52 0.00 0.00 175.17 176.84 3dj3 n LYS 53 N 7.96 2.23 -2.47 4.34 4.76 -1.26 -4.69 118.16 129.02 3dj3 n LYS 53 Ca 0.31 -2.76 -0.23 0.00 -2.87 0.00 0.00 58.31 52.76 3dj3 n LYS 53 Cb 0.50 -2.08 0.05 0.00 -1.84 0.00 0.00 35.03 31.66 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 -1.16 1.77 -0.23 0.72 0.00 -1.26 -3.29 107.32 103.87 3dj3 s GLY 54 Ca 0.53 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 3dj3 s GLY 54 CO 0.07 -0.86 0.23 -0.42 0.00 0.00 0.00 173.10 172.12 3dj3 s ILE 55 N -2.97 5.31 0.20 0.90 -1.09 -1.25 -2.47 121.20 119.83 3dj3 s ILE 55 Ca 0.59 0.34 0.09 0.00 -2.23 0.00 0.00 60.65 59.44 3dj3 s ILE 55 Cb -0.10 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 3dj3 s ILE 55 CO 0.41 0.32 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.95 3dj3 s TYR 56 N 1.12 1.92 -0.41 3.97 2.02 0.61 -0.41 117.35 126.17 3dj3 s TYR 56 Ca 0.11 -0.47 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 3dj3 s TYR 56 Cb -0.14 -0.91 0.02 0.00 -0.40 0.00 0.00 41.96 40.53 3dj3 s TYR 56 CO 0.05 0.43 0.69 0.08 -1.57 0.00 0.00 175.55 175.23 3dj3 s VAL 57 N -2.41 4.80 -0.09 0.71 1.01 0.13 -1.10 120.40 123.45 3dj3 s VAL 57 Ca 0.21 0.42 0.22 0.00 0.00 0.00 0.00 61.98 62.82 3dj3 s VAL 57 Cb -0.04 -4.19 -0.25 0.00 0.00 0.00 0.00 36.38 31.90 3dj3 s VAL 57 CO 0.09 -0.51 0.59 0.35 0.00 0.00 0.00 175.10 175.62 3dj3 n THR 58 N 5.82 0.29 -3.68 3.92 -2.24 -1.12 0.90 114.28 118.16 3dj3 n THR 58 Ca -0.00 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 3dj3 n THR 58 Cb 0.48 -0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.49 -0.17 -0.78 3.52 -1.15 -4.87 118.95 112.61 3dj3 s ARG 59 Ca -0.06 0.89 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 3dj3 s ARG 59 Cb 0.12 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 3dj3 s ARG 59 CO 0.87 -0.15 -0.19 0.08 -0.81 0.00 0.00 175.30 175.11 3dj3 s VAL 60 N 1.36 1.94 -0.09 7.11 1.01 -1.26 -1.23 120.40 129.23 3dj3 s VAL 60 Ca -0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 3dj3 s VAL 60 Cb -0.07 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 3dj3 s VAL 60 CO -0.13 0.52 1.88 -0.44 0.00 0.00 0.00 175.10 176.93 3dj3 s SER 61 N 1.30 6.27 -0.52 3.32 0.01 0.18 -4.87 113.70 119.38 3dj3 s SER 61 Ca 0.04 2.18 -0.26 0.00 1.31 0.00 0.00 55.95 59.22 3dj3 s SER 61 Cb -0.13 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.49 3dj3 s SER 61 CO -0.12 -1.27 2.42 1.21 0.41 0.00 0.00 173.24 175.90 3dj3 n GLU 62 N 7.74 0.99 0.00 12.44 2.13 -1.26 0.70 120.64 143.39 3dj3 n GLU 62 Ca 0.21 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.97 3dj3 n GLU 62 Cb 0.43 -3.44 0.00 0.00 0.27 0.00 0.00 31.44 28.70 3dj3 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dj3 n GLY 63 N 6.07 0.68 3.76 8.31 0.00 -1.26 -5.10 105.19 117.66 3dj3 n GLY 63 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.86 1.63 0.50 -0.02 0.00 0.22 -4.82 107.32 102.96 3dj3 s GLY 64 Ca 0.00 -0.08 0.20 0.00 0.00 0.00 0.00 44.72 44.84 3dj3 s GLY 64 CO 0.00 0.36 2.01 -0.56 0.00 0.00 0.00 173.10 174.91 3dj3 h PRO 65 N -1.27 0.13 -0.04 2.90 0.13 -1.85 0.43 132.00 132.42 3dj3 h PRO 65 Ca -0.48 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 3dj3 h PRO 65 Cb 1.27 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3dj3 h PRO 65 CO 0.56 0.08 -0.55 0.00 -0.23 0.00 0.00 178.00 177.86 3dj3 h ALA 66 N 1.77 1.01 0.01 -0.56 0.00 -1.78 -1.67 119.26 118.03 3dj3 h ALA 66 Ca 0.22 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 3dj3 h ALA 66 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3dj3 h ALA 66 CO -0.03 0.69 -0.91 1.49 0.00 0.00 0.00 179.25 180.50 3dj3 h GLU 67 N 0.09 0.09 -0.00 0.00 4.81 -1.20 -1.06 114.58 117.31 3dj3 h GLU 67 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3dj3 h GLU 67 Cb 1.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3dj3 h GLU 67 CO 0.08 0.93 -0.03 -0.89 -0.73 0.00 0.00 179.01 178.38 3dj3 n ILE 68 N -3.56 0.00 0.79 2.32 2.08 -0.55 -2.83 119.36 117.60 3dj3 n ILE 68 Ca -0.02 -0.03 0.09 0.00 0.56 0.00 0.00 62.75 63.35 3dj3 n ILE 68 Cb 0.84 -0.35 0.02 0.00 -0.75 0.00 0.00 39.64 39.40 3dj3 n ILE 68 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dj3 n ALA 69 N -1.02 3.03 -0.29 -1.39 0.00 -0.66 -4.97 120.51 115.21 3dj3 n ALA 69 Ca 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3dj3 n ALA 69 Cb 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3dj3 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dj3 n GLY 70 N 1.17 0.73 3.75 0.00 0.00 -1.13 -4.53 105.19 105.18 3dj3 n GLY 70 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 2.84 0.20 0.99 0.20 -0.42 -5.02 118.68 117.47 3dj3 s LEU 71 Ca 0.00 1.75 -0.09 0.00 0.69 0.00 0.00 54.13 56.48 3dj3 s LEU 71 Cb 0.00 -4.37 -0.01 0.00 -0.43 0.00 0.00 46.19 41.38 3dj3 s LEU 71 CO 0.00 -2.21 0.34 -1.10 -0.29 0.00 0.00 176.35 173.09 3dj3 s GLN 72 N -4.91 1.32 0.21 1.98 -0.21 -1.26 -4.66 119.66 112.12 3dj3 s GLN 72 Ca 0.62 -1.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 3dj3 s GLN 72 Cb -0.17 0.40 -0.08 0.00 1.00 0.00 0.00 33.01 34.15 3dj3 s GLN 72 CO 0.56 -0.51 0.97 0.42 -2.12 0.00 0.00 175.29 174.62 3dj3 s ILE 73 N -4.01 4.11 0.00 1.08 1.01 -1.26 -3.41 121.20 118.71 3dj3 s ILE 73 Ca 0.22 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.87 3dj3 s ILE 73 Cb 0.02 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3dj3 s ILE 73 CO 0.05 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3dj3 n GLY 74 N 1.69 2.49 3.60 6.18 0.00 0.26 -4.99 105.19 114.42 3dj3 n GLY 74 Ca -0.01 -0.09 -0.54 0.00 0.00 0.00 0.00 46.02 45.38 3dj3 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dj3 n ASP 75 N 0.07 1.56 -4.56 1.61 9.92 -1.22 -4.47 116.55 119.46 3dj3 n ASP 75 Ca 0.00 1.12 -0.42 0.00 -0.53 0.00 0.00 54.79 54.96 3dj3 n ASP 75 Cb 0.00 -1.14 -0.07 0.00 -0.64 0.00 0.00 41.12 39.27 3dj3 n ASP 75 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3dj3 s LYS 76 N 1.04 3.63 -0.24 -1.24 2.20 -1.07 -0.69 119.74 123.36 3dj3 s LYS 76 Ca 0.88 -0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 56.13 3dj3 s LYS 76 Cb -1.03 -3.81 0.01 0.00 -1.51 0.00 0.00 37.83 31.48 3dj3 s LYS 76 CO 0.52 -0.69 0.97 0.42 -0.36 0.00 0.00 175.35 176.22 3dj3 s ILE 77 N 2.52 4.72 -0.11 5.43 1.01 0.46 -1.68 121.20 133.54 3dj3 s ILE 77 Ca 0.21 1.86 0.16 0.00 0.00 0.00 0.00 60.65 62.88 3dj3 s ILE 77 Cb -0.15 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 3dj3 s ILE 77 CO 0.14 -0.17 0.46 0.23 0.00 0.00 0.00 174.94 175.61 3dj3 n MET 78 N 6.25 0.65 -3.63 2.79 2.81 0.35 -4.35 117.12 122.00 3dj3 n MET 78 Ca 0.10 0.15 -0.15 0.00 -1.81 0.00 0.00 57.70 55.99 3dj3 n MET 78 Cb 0.47 -1.68 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 3dj3 n MET 78 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3dj3 s GLN 79 N -2.66 0.82 -0.45 0.03 -0.21 -1.09 -0.87 119.66 115.24 3dj3 s GLN 79 Ca -0.06 0.66 0.04 0.00 0.02 0.00 0.00 55.36 56.01 3dj3 s GLN 79 Cb 0.08 0.40 0.12 0.00 1.00 0.00 0.00 33.01 34.60 3dj3 s GLN 79 CO 0.83 -0.16 0.19 0.08 -2.12 0.00 0.00 175.29 174.11 3dj3 s VAL 80 N -0.15 2.27 -0.27 1.09 1.01 -0.56 -2.17 120.40 121.61 3dj3 s VAL 80 Ca -0.04 -2.86 -0.02 0.00 0.00 0.00 0.00 61.98 59.07 3dj3 s VAL 80 Cb -0.03 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3dj3 s VAL 80 CO 0.03 -0.75 0.22 0.59 0.00 0.00 0.00 175.10 175.19 3dj3 n ASN 81 N 3.57 -2.81 -0.63 3.32 3.02 -0.69 -3.80 115.26 117.24 3dj3 n ASN 81 Ca 0.05 -0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.47 3dj3 n ASN 81 Cb 0.36 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3dj3 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dj3 n GLY 82 N -0.81 0.50 2.78 7.41 0.00 -1.26 -5.05 105.19 108.76 3dj3 n GLY 82 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.60 0.48 0.17 1.61 0.52 -1.25 -5.13 118.94 112.75 3dj3 s TRP 83 Ca 0.04 -0.06 -0.33 0.00 0.02 0.00 0.00 56.10 55.77 3dj3 s TRP 83 Cb -0.02 -0.64 -0.14 0.00 -1.15 0.00 0.00 33.47 31.52 3dj3 s TRP 83 CO 0.05 -0.24 1.53 -0.25 0.02 0.00 0.00 176.95 178.06 3dj3 n ASP 84 N 4.83 2.93 -0.60 2.95 8.00 -1.26 -1.50 116.55 131.90 3dj3 n ASP 84 Ca -0.13 1.10 0.05 0.00 0.71 0.00 0.00 54.79 56.52 3dj3 n ASP 84 Cb 0.50 -1.41 0.20 0.00 -0.02 0.00 0.00 41.12 40.38 3dj3 n ASP 84 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3dj3 n MET 85 N 3.07 1.63 0.03 -1.24 2.81 -0.05 -4.70 117.12 118.69 3dj3 n MET 85 Ca 0.16 -3.11 -0.18 0.00 -1.81 0.00 0.00 57.70 52.76 3dj3 n MET 85 Cb 0.29 -1.64 -0.14 0.00 -0.71 0.00 0.00 33.22 31.01 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 0.82 0.90 -1.47 2.03 1.35 -1.85 -3.33 112.91 111.37 3dj3 h THR 86 Ca 0.04 -2.58 -0.50 0.00 -0.55 0.00 0.00 66.41 62.82 3dj3 h THR 86 Cb 1.14 2.63 -0.41 0.00 -1.73 0.00 0.00 68.15 69.78 3dj3 h THR 86 CO 0.08 0.80 -0.94 0.23 -0.25 0.00 0.00 175.52 175.45 3dj3 n MET 87 N -3.43 2.33 -4.38 4.72 2.81 -1.26 -4.46 117.12 113.45 3dj3 n MET 87 Ca -0.23 -3.98 -0.27 0.00 -1.81 0.00 0.00 57.70 51.41 3dj3 n MET 87 Cb 1.05 -1.83 -0.11 0.00 -0.71 0.00 0.00 33.22 31.63 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 -4.23 2.64 0.56 2.03 -7.23 -1.26 -4.94 120.40 107.97 3dj3 s VAL 88 Ca 0.40 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 3dj3 s VAL 88 Cb 0.40 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3dj3 s VAL 88 CO -0.09 -0.13 0.98 0.42 -0.31 0.00 0.00 175.10 175.97 3dj3 s THR 89 N -1.73 4.67 0.18 5.32 -4.23 -1.26 -1.92 115.64 116.67 3dj3 s THR 89 Ca 0.23 0.93 -0.21 0.00 -1.18 0.00 0.00 61.69 61.46 3dj3 s THR 89 Cb -0.08 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.05 3dj3 s THR 89 CO 0.12 -0.93 1.60 -0.74 -0.54 0.00 0.00 174.62 174.13 3dj3 h HIS 90 N 0.24 -0.83 -0.02 3.99 2.76 -1.88 -0.27 115.15 119.14 3dj3 h HIS 90 Ca -0.45 0.06 0.01 0.00 -2.20 0.00 0.00 60.37 57.78 3dj3 h HIS 90 Cb 1.19 0.43 -0.00 0.00 1.55 0.00 0.00 27.41 30.58 3dj3 h HIS 90 CO 0.64 -0.37 0.01 -0.44 -1.30 0.00 0.00 177.93 176.48 3dj3 h ASP 91 N -0.20 0.00 0.25 3.26 5.19 -1.93 0.69 116.42 123.68 3dj3 h ASP 91 Ca 0.20 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.43 3dj3 h ASP 91 Cb 0.53 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 3dj3 h ASP 91 CO -0.58 0.00 -0.73 1.56 -3.12 0.00 0.00 179.24 176.36 3dj3 h GLN 92 N 0.00 0.42 -0.03 3.56 4.20 -1.45 0.48 115.11 122.29 3dj3 h GLN 92 Ca 0.01 -0.34 -0.25 0.00 0.06 0.00 0.00 58.65 58.13 3dj3 h GLN 92 Cb 0.04 0.07 0.02 0.00 0.30 0.00 0.00 27.48 27.91 3dj3 h GLN 92 CO -0.00 0.98 -0.96 0.00 -0.67 0.00 0.00 178.83 178.18 3dj3 h ALA 93 N 0.92 0.16 -0.20 3.87 0.00 -0.43 -2.84 119.26 120.73 3dj3 h ALA 93 Ca -0.03 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.02 3dj3 h ALA 93 Cb 1.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dj3 h ALA 93 CO 0.13 0.66 -0.64 -0.09 0.00 0.00 0.00 179.25 179.30 3dj3 h ARG 94 N 0.39 0.73 0.25 0.00 2.43 -0.89 -2.50 114.38 114.79 3dj3 h ARG 94 Ca -0.11 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 58.55 3dj3 h ARG 94 Cb 1.61 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.21 3dj3 h ARG 94 CO 0.19 1.14 -0.39 -0.22 -1.51 0.00 0.00 179.97 179.17 3dj3 h LYS 95 N 0.54 -0.69 -0.04 0.20 3.64 -0.07 -2.14 116.57 118.01 3dj3 h LYS 95 Ca -0.01 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3dj3 h LYS 95 Cb 1.24 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 3dj3 h LYS 95 CO 0.13 -0.46 -0.10 0.00 -2.27 0.00 0.00 179.45 176.76 3dj3 h ARG 96 N -0.71 0.06 0.00 1.90 3.08 -1.51 -2.57 114.38 114.62 3dj3 h ARG 96 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dj3 h ARG 96 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3dj3 h ARG 96 CO -0.15 0.16 -0.05 1.28 -1.07 0.00 0.00 179.97 180.14 3dj3 n LEU 97 N -4.39 0.83 -1.37 3.04 4.77 -0.94 -4.02 117.00 114.91 3dj3 n LEU 97 Ca -0.02 0.55 -0.07 0.00 -0.03 0.00 0.00 56.01 56.44 3dj3 n LEU 97 Cb 0.19 -0.30 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3dj3 n LEU 97 CO 0.36 -0.18 0.25 0.35 -1.33 0.00 0.00 177.39 176.84 3dj3 n THR 98 N -2.27 2.14 -2.23 -5.08 -2.24 -0.83 -4.98 114.28 98.79 3dj3 n THR 98 Ca 0.05 -3.48 -0.37 0.00 -2.27 0.00 0.00 64.05 57.99 3dj3 n THR 98 Cb 0.43 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3dj3 n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dj3 s LYS 99 N -3.20 3.72 0.07 -0.78 -0.14 -1.18 -4.96 119.74 113.26 3dj3 s LYS 99 Ca 0.42 1.80 -0.19 0.00 -1.36 0.00 0.00 55.97 56.64 3dj3 s LYS 99 Cb 0.38 -2.40 -0.11 0.00 -1.68 0.00 0.00 37.83 34.03 3dj3 s LYS 99 CO -0.03 -0.59 1.47 -0.09 -0.76 0.00 0.00 175.35 175.35 3dj3 h ARG 100 N 2.02 0.39 -0.97 1.68 9.65 -1.97 -3.28 114.38 121.90 3dj3 h ARG 100 Ca -0.49 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 3dj3 h ARG 100 Cb 1.25 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 3dj3 h ARG 100 CO 0.60 0.63 0.00 -1.13 2.80 0.00 0.00 179.97 182.87 3dj3 n SER 101 N -4.63 1.48 -3.53 -3.80 3.41 -1.26 -4.65 113.62 100.64 3dj3 n SER 101 Ca -0.04 -1.85 -0.22 0.00 -0.26 0.00 0.00 58.87 56.49 3dj3 n SER 101 Cb 0.27 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 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 -0.68 0.16 0.00 4.33 2.02 -1.24 -4.98 118.70 118.31 3dj3 s GLU 102 Ca 0.00 -0.02 0.30 0.00 0.02 0.00 0.00 54.97 55.28 3dj3 s GLU 102 Cb 0.00 -1.37 1.54 0.00 0.10 0.00 0.00 34.13 34.41 3dj3 s GLU 102 CO 0.00 -0.74 2.04 0.39 0.02 0.00 0.00 175.26 176.97 3dj3 n GLU 103 N 5.30 0.87 -4.20 1.61 1.02 -1.26 -4.78 120.64 119.20 3dj3 n GLU 103 Ca -0.06 -0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 56.75 3dj3 n GLU 103 Cb 0.48 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.25 0.49 -0.10 2.62 1.01 -1.26 -0.59 120.40 120.32 3dj3 s VAL 104 Ca 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3dj3 s VAL 104 Cb 0.21 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 36.20 3dj3 s VAL 104 CO 0.41 0.10 0.03 0.54 0.00 0.00 0.00 175.10 176.18 3dj3 s VAL 105 N -0.23 0.28 -0.29 2.92 0.11 -0.45 -4.99 120.40 117.75 3dj3 s VAL 105 Ca 0.02 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.91 3dj3 s VAL 105 Cb -0.03 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3dj3 s VAL 105 CO -0.00 0.09 0.38 -0.13 -3.33 0.00 0.00 175.10 172.10 3dj3 s ARG 106 N 2.00 3.90 0.31 1.54 0.52 -1.26 -2.46 118.95 123.50 3dj3 s ARG 106 Ca 0.03 -0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 3dj3 s ARG 106 Cb -0.14 -3.69 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 3dj3 s ARG 106 CO -0.06 -0.35 0.44 -0.51 0.02 0.00 0.00 175.30 174.84 3dj3 s LEU 107 N 2.08 4.06 -0.13 2.53 1.02 0.41 -1.71 118.68 126.95 3dj3 s LEU 107 Ca 0.15 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.17 3dj3 s LEU 107 Cb -0.16 -2.79 0.05 0.00 0.02 0.00 0.00 46.19 43.30 3dj3 s LEU 107 CO 0.11 -0.34 0.03 -0.22 0.02 0.00 0.00 176.35 175.95 3dj3 s LEU 108 N -4.13 0.78 0.38 1.79 1.98 -0.92 -1.47 118.68 117.09 3dj3 s LEU 108 Ca 0.42 -0.45 0.05 0.00 -2.89 0.00 0.00 54.13 51.25 3dj3 s LEU 108 Cb -0.09 -0.47 -0.06 0.00 0.66 0.00 0.00 46.19 46.23 3dj3 s LEU 108 CO 0.31 -0.26 0.04 0.68 -1.89 0.00 0.00 176.35 175.23 3dj3 s VAL 109 N 1.95 1.42 -0.13 1.68 -7.23 -0.69 0.13 120.40 117.54 3dj3 s VAL 109 Ca 0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 3dj3 s VAL 109 Cb -0.15 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.05 3dj3 s VAL 109 CO -0.07 0.00 -0.04 0.28 -0.31 0.00 0.00 175.10 174.96 3dj3 s THR 110 N -3.05 0.86 -2.54 5.32 -1.32 -0.68 -1.84 115.64 112.39 3dj3 s THR 110 Ca 0.32 -0.32 0.28 0.00 -1.21 0.00 0.00 61.69 60.76 3dj3 s THR 110 Cb 0.08 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.59 3dj3 s THR 110 CO 0.15 0.22 1.71 0.54 -2.21 0.00 0.00 174.62 175.03