#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj6 s LYS 2 N 0.00 2.77 -0.05 2.12 -0.14 -1.26 -5.12 119.74 118.06 2dj6 s LYS 2 Ca 0.00 -0.62 0.03 0.00 -1.36 0.00 0.00 55.97 54.02 2dj6 s LYS 2 Cb 0.00 -2.66 0.01 0.00 -1.68 0.00 0.00 37.83 33.50 2dj6 s LYS 2 CO 0.00 0.62 -0.13 -1.54 -0.76 0.00 0.00 175.35 173.54 2dj6 s SER 3 N -1.56 1.84 0.07 2.83 1.04 -1.26 -5.10 113.70 111.57 2dj6 s SER 3 Ca 0.19 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.35 2dj6 s SER 3 Cb -0.11 -0.71 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 2dj6 s SER 3 CO 0.10 0.07 -0.09 -0.13 0.98 0.00 0.00 173.24 174.18 2dj6 s ARG 4 N 0.42 0.71 0.01 4.02 0.52 -1.26 -2.07 118.95 121.30 2dj6 s ARG 4 Ca -0.10 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.12 2dj6 s ARG 4 Cb -0.14 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.89 2dj6 s ARG 4 CO 0.03 0.06 -0.01 0.96 0.02 0.00 0.00 175.30 176.36 2dj6 s ILE 5 N -2.11 4.06 -0.04 1.52 -4.36 -0.22 -4.93 121.20 115.11 2dj6 s ILE 5 Ca -0.00 -0.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.74 2dj6 s ILE 5 Cb -0.05 -2.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.83 2dj6 s ILE 5 CO -0.00 0.34 -0.16 -0.63 0.24 0.00 0.00 174.94 174.72 2dj6 s ILE 6 N -1.11 1.32 -0.02 8.37 1.01 -1.26 -1.33 121.20 128.18 2dj6 s ILE 6 Ca 0.20 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.25 2dj6 s ILE 6 Cb -0.11 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 2dj6 s ILE 6 CO 0.11 0.38 -0.20 0.68 0.00 0.00 0.00 174.94 175.91 2dj6 s VAL 7 N 0.04 1.60 -0.04 2.92 -7.23 -0.50 -4.97 120.40 112.23 2dj6 s VAL 7 Ca -0.03 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2dj6 s VAL 7 Cb -0.11 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2dj6 s VAL 7 CO 0.02 0.45 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.98 2dj6 s ARG 8 N -0.39 2.43 0.28 4.82 0.52 -1.26 -1.11 118.95 124.24 2dj6 s ARG 8 Ca 0.06 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 2dj6 s ARG 8 Cb -0.09 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.05 2dj6 s ARG 8 CO -0.00 0.61 0.57 -0.08 0.02 0.00 0.00 175.30 176.41 2dj6 s THR 9 N -0.76 0.00 0.08 0.02 -1.32 -0.08 -5.01 115.64 108.58 2dj6 s THR 9 Ca 0.12 -1.29 -0.10 0.00 -1.21 0.00 0.00 61.69 59.20 2dj6 s THR 9 Cb -0.11 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 2dj6 s THR 9 CO 0.01 0.00 0.23 -0.94 -2.21 0.00 0.00 174.62 171.71 2dj6 s SER 10 N -3.02 0.04 0.13 8.08 1.04 -1.26 -0.19 113.70 118.52 2dj6 s SER 10 Ca 0.20 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2dj6 s SER 10 Cb -0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2dj6 s SER 10 CO 0.10 -0.71 0.28 0.72 0.98 0.00 0.00 173.24 174.61 2dj6 s PHE 11 N -3.57 0.17 0.17 5.02 -0.12 -0.71 -4.99 117.98 113.95 2dj6 s PHE 11 Ca 0.02 -0.56 0.09 0.00 -0.05 0.00 0.00 56.93 56.43 2dj6 s PHE 11 Cb 0.03 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2dj6 s PHE 11 CO -0.10 -0.66 -0.09 0.16 -0.05 0.00 0.00 175.22 174.48 2dj6 s ASP 12 N -2.89 4.29 -0.11 1.98 1.47 -1.26 0.40 116.67 120.54 2dj6 s ASP 12 Ca 0.10 -0.54 -0.30 0.00 1.18 0.00 0.00 52.55 52.99 2dj6 s ASP 12 Cb 0.03 -0.75 0.11 0.00 -0.34 0.00 0.00 42.92 41.98 2dj6 s ASP 12 CO -0.06 0.12 0.93 0.00 0.68 0.00 0.00 175.17 176.83 2dj6 s ALA 13 N -1.61 -1.89 0.15 2.11 0.00 -0.82 -0.41 121.76 119.28 2dj6 s ALA 13 Ca 0.24 1.43 0.07 0.00 0.00 0.00 0.00 51.96 53.71 2dj6 s ALA 13 Cb -0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2dj6 s ALA 13 CO 0.15 -0.39 -0.05 0.00 0.00 0.00 0.00 175.76 175.47 2dj6 s ALA 14 N -1.53 3.10 0.07 0.00 0.00 -0.76 -1.54 121.76 121.09 2dj6 s ALA 14 Ca -0.02 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 2dj6 s ALA 14 Cb -0.00 -0.94 0.09 0.00 0.00 0.00 0.00 23.12 22.26 2dj6 s ALA 14 CO 0.01 0.55 1.13 -3.38 0.00 0.00 0.00 175.76 174.07 2dj6 s HIS 15 N -1.53 -0.06 -0.03 0.00 -3.43 -0.94 -0.38 115.29 108.91 2dj6 s HIS 15 Ca 0.25 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 2dj6 s HIS 15 Cb -0.10 0.60 0.03 0.00 -1.43 0.00 0.00 32.58 31.68 2dj6 s HIS 15 CO 0.17 -0.56 0.01 0.00 -2.00 0.00 0.00 174.74 172.36 2dj6 s ALA 16 N -2.74 0.29 0.24 -1.38 0.00 -1.26 -2.27 121.76 114.64 2dj6 s ALA 16 Ca 0.15 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 2dj6 s ALA 16 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2dj6 s ALA 16 CO -0.00 -0.12 0.48 0.14 0.00 0.00 0.00 175.76 176.26 2dj6 s VAL 17 N 1.13 5.08 0.01 0.00 -7.23 -1.26 -4.72 120.40 113.41 2dj6 s VAL 17 Ca -0.08 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 2dj6 s VAL 17 Cb -0.13 -3.70 -0.10 0.00 0.56 0.00 0.00 36.38 33.01 2dj6 s VAL 17 CO -0.02 -0.19 1.93 1.17 -0.31 0.00 0.00 175.10 177.68 2dj6 n LYS 18 N -0.59 2.66 0.00 4.82 4.81 -1.26 -3.60 118.16 124.99 2dj6 n LYS 18 Ca -0.02 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2dj6 n LYS 18 Cb 0.53 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.69 2dj6 n LYS 18 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2dj6 n VAL 19 N 5.32 0.50 0.00 3.15 0.31 -1.19 -4.98 118.33 121.44 2dj6 n VAL 19 Ca 0.21 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2dj6 n VAL 19 Cb 0.37 0.84 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 2dj6 n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dj6 n GLY 20 N -0.25 0.29 0.00 2.92 0.00 -1.26 -4.96 105.19 101.93 2dj6 n GLY 20 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.47 2dj6 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dj6 n ASP 21 N 0.00 4.27 -2.08 1.61 2.03 -1.26 -4.99 116.55 116.13 2dj6 n ASP 21 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dj6 n ASP 21 Cb 0.00 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.47 2dj6 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dj6 n HIS 22 N -1.67 -1.03 0.00 -0.67 1.44 -1.26 -5.14 115.22 106.90 2dj6 n HIS 22 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2dj6 n HIS 22 Cb 0.15 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.26 2dj6 n HIS 22 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 2dj6 n TRP 23 N -0.47 0.00 -1.49 -1.40 7.02 -1.26 -3.14 117.44 116.71 2dj6 n TRP 23 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2dj6 n TRP 23 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2dj6 n TRP 23 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2dj6 n GLU 24 N 0.00 0.00 -4.02 -0.99 2.13 -1.24 -3.58 120.64 112.95 2dj6 n GLU 24 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2dj6 n GLU 24 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 2dj6 n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dj6 s ASP 25 N 1.54 4.37 -0.21 4.31 1.01 -1.26 -4.96 116.67 121.46 2dj6 s ASP 25 Ca 0.00 -1.18 -0.39 0.00 0.71 0.00 0.00 52.55 51.70 2dj6 s ASP 25 Cb 0.00 -1.60 -0.15 0.00 1.01 0.00 0.00 42.92 42.18 2dj6 s ASP 25 CO 0.00 -0.17 1.74 0.52 0.21 0.00 0.00 175.17 177.47 2dj6 n VAL 26 N 4.54 0.34 -4.03 -1.27 0.31 -1.26 -4.66 118.33 112.30 2dj6 n VAL 26 Ca -0.15 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.02 2dj6 n VAL 26 Cb 0.44 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.93 2dj6 n VAL 26 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2dj6 s HIS 27 N 3.40 0.45 0.04 3.52 -3.43 -0.96 -4.97 115.29 113.34 2dj6 s HIS 27 Ca 0.96 -0.66 -0.02 0.00 -0.80 0.00 0.00 55.06 54.54 2dj6 s HIS 27 Cb -0.98 -0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 29.83 2dj6 s HIS 27 CO 0.61 -0.20 0.23 0.20 -2.00 0.00 0.00 174.74 173.58 2dj6 s GLY 28 N -1.89 2.20 0.04 -1.38 0.00 -1.26 -2.22 107.32 102.81 2dj6 s GLY 28 Ca -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2dj6 s GLY 28 CO -0.03 -0.66 -0.06 0.30 0.00 0.00 0.00 173.10 172.65 2dj6 s HIS 29 N -1.43 0.56 -0.23 1.90 3.76 -0.59 -4.99 115.29 114.26 2dj6 s HIS 29 Ca 0.32 -0.63 -0.20 0.00 -0.15 0.00 0.00 55.06 54.40 2dj6 s HIS 29 Cb -0.13 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.19 2dj6 s HIS 29 CO 0.23 -0.16 0.61 0.99 -0.85 0.00 0.00 174.74 175.56 2dj6 s THR 30 N -2.00 5.02 -0.05 1.30 2.01 -1.26 -1.95 115.64 118.70 2dj6 s THR 30 Ca -0.07 1.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.88 2dj6 s THR 30 Cb -0.06 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2dj6 s THR 30 CO -0.02 0.08 0.46 -0.36 -0.69 0.00 0.00 174.62 174.09 2dj6 s PHE 31 N 2.18 3.63 -0.21 4.92 0.08 0.16 -1.87 117.98 126.87 2dj6 s PHE 31 Ca 0.27 0.97 -0.04 0.00 0.12 0.00 0.00 56.93 58.24 2dj6 s PHE 31 Cb -0.16 -2.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.84 2dj6 s PHE 31 CO 0.09 0.40 -0.03 -0.06 -0.10 0.00 0.00 175.22 175.52 2dj6 s PHE 32 N -0.24 2.97 -0.11 0.36 0.08 -0.22 -1.74 117.98 119.08 2dj6 s PHE 32 Ca 0.25 -0.81 -0.01 0.00 0.12 0.00 0.00 56.93 56.48 2dj6 s PHE 32 Cb -0.16 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2dj6 s PHE 32 CO 0.12 -0.47 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.52 2dj6 s LEU 33 N 1.36 3.03 -0.11 -0.37 2.96 0.74 -0.27 118.68 126.01 2dj6 s LEU 33 Ca 0.04 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2dj6 s LEU 33 Cb -0.14 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.87 2dj6 s LEU 33 CO -0.02 0.25 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.39 2dj6 s GLU 34 N -0.13 2.46 -0.13 1.98 2.12 -0.15 -0.90 118.70 123.96 2dj6 s GLU 34 Ca 0.01 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2dj6 s GLU 34 Cb -0.13 -2.04 0.01 0.00 0.26 0.00 0.00 34.13 32.23 2dj6 s GLU 34 CO 0.03 -0.03 -0.20 0.08 -0.54 0.00 0.00 175.26 174.60 2dj6 s VAL 35 N 0.89 1.91 -0.17 3.70 1.01 -0.27 -1.03 120.40 126.44 2dj6 s VAL 35 Ca -0.08 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2dj6 s VAL 35 Cb -0.15 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2dj6 s VAL 35 CO -0.01 0.52 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 2dj6 s ALA 36 N 0.87 2.87 -0.08 5.51 0.00 0.24 -1.41 121.76 129.76 2dj6 s ALA 36 Ca -0.07 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2dj6 s ALA 36 Cb -0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2dj6 s ALA 36 CO -0.02 -0.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.92 2dj6 s ILE 37 N 0.76 2.16 -0.10 0.00 1.09 -0.44 -1.29 121.20 123.38 2dj6 s ILE 37 Ca -0.02 -1.01 -0.03 0.00 -1.10 0.00 0.00 60.65 58.50 2dj6 s ILE 37 Cb -0.15 -1.81 -0.03 0.00 -1.06 0.00 0.00 42.46 39.41 2dj6 s ILE 37 CO 0.02 0.56 0.02 -0.70 -0.10 0.00 0.00 174.94 174.74 2dj6 s GLU 38 N 0.12 3.10 0.15 2.79 2.12 0.29 -1.06 118.70 126.20 2dj6 s GLU 38 Ca -0.12 -0.38 -0.24 0.00 0.36 0.00 0.00 54.97 54.60 2dj6 s GLU 38 Cb -0.16 -2.86 0.08 0.00 0.26 0.00 0.00 34.13 31.45 2dj6 s GLU 38 CO 0.06 0.68 1.06 0.20 -0.54 0.00 0.00 175.26 176.72 2dj6 s GLY 39 N -0.81 -0.02 0.28 -1.50 0.00 -0.88 -0.88 107.32 103.51 2dj6 s GLY 39 Ca 0.12 -0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.47 2dj6 s GLY 39 CO 0.02 1.94 0.88 1.85 0.00 0.00 0.00 173.10 177.80 2dj6 s GLU 40 N -2.42 4.54 -0.40 2.90 2.56 -1.26 -4.24 118.70 120.38 2dj6 s GLU 40 Ca 0.20 1.23 -0.26 0.00 0.00 0.00 0.00 54.97 56.14 2dj6 s GLU 40 Cb -0.02 -2.92 0.02 0.00 2.00 0.00 0.00 34.13 33.22 2dj6 s GLU 40 CO 0.03 0.36 0.93 0.42 -0.56 0.00 0.00 175.26 176.44 2dj6 s ILE 41 N -1.50 4.54 -0.10 -3.70 1.01 -1.26 -4.12 121.20 116.06 2dj6 s ILE 41 Ca 0.46 1.04 0.03 0.00 0.00 0.00 0.00 60.65 62.19 2dj6 s ILE 41 Cb -0.19 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 37.91 2dj6 s ILE 41 CO 0.24 -0.64 -0.20 -0.75 0.00 0.00 0.00 174.94 173.59 2dj6 s LYS 42 N 3.58 2.65 -1.53 2.79 2.20 -0.39 -4.69 119.74 124.35 2dj6 s LYS 42 Ca 0.38 -0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 55.12 2dj6 s LYS 42 Cb -0.11 -2.10 0.08 0.00 -1.51 0.00 0.00 37.83 34.19 2dj6 s LYS 42 CO 0.21 0.07 0.99 0.09 -0.36 0.00 0.00 175.35 176.35 2dj6 n ASN 43 N 3.82 -4.87 0.00 1.43 3.02 -1.26 -1.97 115.26 115.43 2dj6 n ASN 43 Ca -0.20 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2dj6 n ASN 43 Cb 0.52 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 2dj6 n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dj6 n GLY 44 N -1.71 0.90 3.45 7.41 0.00 -1.26 -5.04 105.19 108.94 2dj6 n GLY 44 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2dj6 n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dj6 s TYR 45 N -3.04 -0.56 -0.15 1.61 -0.85 -0.83 -5.05 117.35 108.48 2dj6 s TYR 45 Ca 0.00 0.64 -0.24 0.00 -0.52 0.00 0.00 57.07 56.95 2dj6 s TYR 45 Cb 0.00 0.46 -0.22 0.00 0.38 0.00 0.00 41.96 42.58 2dj6 s TYR 45 CO 0.00 -0.72 0.58 0.28 -1.52 0.00 0.00 175.55 174.17 2dj6 h VAL 46 N 2.52 1.43 -1.90 -3.49 2.07 -1.84 -1.03 116.25 114.00 2dj6 h VAL 46 Ca -0.31 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 2dj6 h VAL 46 Cb 1.23 2.77 -0.21 0.00 -1.52 0.00 0.00 31.29 33.56 2dj6 h VAL 46 CO 0.39 0.48 0.25 -0.32 0.02 0.00 0.00 177.57 178.39 2dj6 s MET 47 N -2.16 0.88 0.11 1.57 1.75 -1.26 -4.80 119.30 115.38 2dj6 s MET 47 Ca -0.18 0.50 -0.31 0.00 -1.25 0.00 0.00 55.69 54.45 2dj6 s MET 47 Cb -0.01 0.42 -0.09 0.00 2.84 0.00 0.00 34.83 37.98 2dj6 s MET 47 CO 0.59 -0.22 1.67 0.34 -0.65 0.00 0.00 175.02 176.75 2dj6 s ASP 48 N -0.57 6.56 0.15 1.11 2.15 -1.26 -4.91 116.67 119.89 2dj6 s ASP 48 Ca -0.05 2.59 -0.23 0.00 0.43 0.00 0.00 52.55 55.29 2dj6 s ASP 48 Cb -0.02 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2dj6 s ASP 48 CO 0.05 -0.90 1.63 -0.26 -0.17 0.00 0.00 175.17 175.52 2dj6 h PHE 49 N 7.93 -0.64 -0.89 -5.34 0.04 -2.00 -2.39 116.94 113.66 2dj6 h PHE 49 Ca -0.43 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.40 2dj6 h PHE 49 Cb 1.20 0.32 -0.05 0.00 2.20 0.00 0.00 35.95 39.62 2dj6 h PHE 49 CO 0.74 -0.32 0.58 1.25 -0.60 0.00 0.00 178.31 179.97 2dj6 h LEU 50 N -0.25 0.97 -0.56 1.54 5.85 -1.99 -0.25 115.31 120.62 2dj6 h LEU 50 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2dj6 h LEU 50 Cb 0.46 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2dj6 h LEU 50 CO -0.37 0.68 0.36 -0.08 -0.34 0.00 0.00 178.44 178.69 2dj6 h GLU 51 N 1.13 0.74 -0.21 1.25 4.81 -1.83 -0.67 114.58 119.80 2dj6 h GLU 51 Ca 0.34 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2dj6 h GLU 51 Cb -0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2dj6 h GLU 51 CO -0.10 0.50 -0.12 1.25 -0.73 0.00 0.00 179.01 179.81 2dj6 h LEU 52 N 0.75 0.47 -0.97 1.64 5.85 -1.02 -2.64 115.31 119.38 2dj6 h LEU 52 Ca 0.20 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2dj6 h LEU 52 Cb -0.07 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 2dj6 h LEU 52 CO -0.04 0.79 0.62 -0.09 -0.34 0.00 0.00 178.44 179.38 2dj6 h ARG 53 N 0.15 1.05 -0.52 1.25 2.43 -0.80 -0.22 114.38 117.70 2dj6 h ARG 53 Ca 0.04 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2dj6 h ARG 53 Cb 0.63 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2dj6 h ARG 53 CO 0.03 0.69 0.11 0.87 -1.51 0.00 0.00 179.97 180.17 2dj6 h LYS 54 N 1.08 0.84 0.19 0.20 1.57 -1.06 0.24 116.57 119.63 2dj6 h LYS 54 Ca 0.44 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2dj6 h LYS 54 Cb 0.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2dj6 h LYS 54 CO -0.20 0.81 -0.09 0.82 -0.57 0.00 0.00 179.45 180.22 2dj6 h ILE 55 N 0.73 0.82 -0.43 1.86 2.04 -0.93 -2.09 117.51 119.51 2dj6 h ILE 55 Ca 0.16 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2dj6 h ILE 55 Cb 0.36 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2dj6 h ILE 55 CO 0.00 0.01 0.25 0.58 0.00 0.00 0.00 178.15 178.99 2dj6 h VAL 56 N -0.27 1.15 0.00 1.67 2.07 -0.91 -2.85 116.25 117.11 2dj6 h VAL 56 Ca -0.03 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2dj6 h VAL 56 Cb 0.21 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2dj6 h VAL 56 CO 0.04 0.15 -0.01 -0.33 0.02 0.00 0.00 177.57 177.44 2dj6 h GLU 57 N 0.57 0.00 -0.25 1.57 5.08 -0.49 -1.00 114.58 120.07 2dj6 h GLU 57 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 2dj6 h GLU 57 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2dj6 h GLU 57 CO -0.03 0.01 -0.44 0.93 -1.00 0.00 0.00 179.01 178.49 2dj6 h GLU 58 N 0.00 0.61 -0.03 2.33 5.08 -1.14 -2.07 114.58 119.36 2dj6 h GLU 58 Ca -0.00 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2dj6 h GLU 58 Cb 0.56 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dj6 h GLU 58 CO 0.00 0.93 -0.06 0.82 -1.00 0.00 0.00 179.01 179.70 2dj6 h ILE 59 N 0.50 1.44 0.00 3.13 2.04 -1.24 -3.16 117.51 120.22 2dj6 h ILE 59 Ca 0.04 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 2dj6 h ILE 59 Cb 0.96 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2dj6 h ILE 59 CO 0.09 0.37 -0.12 0.71 0.00 0.00 0.00 178.15 179.20 2dj6 h THR 60 N -0.44 0.54 -0.18 -0.27 1.35 -1.25 -2.08 112.91 110.59 2dj6 h THR 60 Ca 0.00 -0.53 0.02 0.00 -0.55 0.00 0.00 66.41 65.35 2dj6 h THR 60 Cb 0.63 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 2dj6 h THR 60 CO 0.01 0.11 0.12 0.50 -0.25 0.00 0.00 175.52 176.01 2dj6 h LYS 61 N 0.00 0.15 0.00 4.72 3.64 -1.33 0.51 116.57 124.27 2dj6 h LYS 61 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2dj6 h LYS 61 Cb 0.34 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2dj6 h LYS 61 CO 0.02 0.10 -0.06 0.93 -2.27 0.00 0.00 179.45 178.17 2dj6 h GLU 62 N 0.16 0.00 0.00 1.90 5.08 -1.45 -3.17 114.58 117.10 2dj6 h GLU 62 Ca 0.07 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.15 2dj6 h GLU 62 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2dj6 h GLU 62 CO -0.01 0.06 -2.29 1.28 -1.00 0.00 0.00 179.01 177.04 2dj6 n LEU 63 N -3.19 0.00 -4.67 1.33 4.77 -0.02 -4.88 117.00 110.34 2dj6 n LEU 63 Ca 0.00 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.50 2dj6 n LEU 63 Cb 0.33 0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2dj6 n LEU 63 CO 0.29 0.38 1.29 -0.67 -1.33 0.00 0.00 177.39 177.35 2dj6 n ASP 64 N -2.63 3.06 -0.78 -1.43 4.64 -0.08 -1.79 116.55 117.54 2dj6 n ASP 64 Ca -0.26 1.04 -0.10 0.00 -1.38 0.00 0.00 54.79 54.09 2dj6 n ASP 64 Cb 1.02 -1.37 -0.04 0.00 -1.04 0.00 0.00 41.12 39.69 2dj6 n ASP 64 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2dj6 n HIS 65 N 4.75 0.00 -3.94 -0.67 8.25 0.45 -4.96 115.22 119.09 2dj6 n HIS 65 Ca 0.20 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.44 2dj6 n HIS 65 Cb 0.27 -2.05 -0.04 0.00 1.12 0.00 0.00 29.99 29.29 2dj6 n HIS 65 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dj6 s ARG 66 N -2.73 2.71 -0.46 -0.41 1.81 -0.74 -4.95 118.95 114.18 2dj6 s ARG 66 Ca 0.00 -1.28 -0.20 0.00 -1.72 0.00 0.00 55.73 52.54 2dj6 s ARG 66 Cb 0.00 -2.44 0.04 0.00 -0.45 0.00 0.00 34.95 32.09 2dj6 s ARG 66 CO 0.00 0.18 0.60 1.21 -0.68 0.00 0.00 175.30 176.60 2dj6 s ASN 67 N -3.93 6.26 0.58 0.23 3.84 -1.26 -1.84 114.94 118.83 2dj6 s ASN 67 Ca 0.38 -0.61 0.34 0.00 0.21 0.00 0.00 52.86 53.18 2dj6 s ASN 67 Cb -0.06 -2.29 1.79 0.00 -0.55 0.00 0.00 41.25 40.14 2dj6 s ASN 67 CO 0.25 -0.79 2.18 -0.07 -2.79 0.00 0.00 177.10 175.89 2dj6 h LEU 68 N 9.59 0.00 -0.77 3.21 3.38 -1.07 -1.23 115.31 128.42 2dj6 h LEU 68 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2dj6 h LEU 68 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2dj6 h LEU 68 CO 0.90 0.05 0.00 0.59 0.09 0.00 0.00 178.44 180.07 2dj6 n ASN 69 N -3.46 0.60 0.03 -0.43 4.13 -1.26 -0.53 115.26 114.34 2dj6 n ASN 69 Ca -0.02 0.67 0.12 0.00 1.68 0.00 0.00 54.58 57.03 2dj6 n ASN 69 Cb 0.17 -0.79 0.30 0.00 -1.54 0.00 0.00 39.78 37.92 2dj6 n ASN 69 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2dj6 n ASN 70 N -2.18 0.51 -0.02 6.41 3.02 -0.46 -4.20 115.26 118.33 2dj6 n ASN 70 Ca 0.02 0.07 -0.01 0.00 -0.03 0.00 0.00 54.58 54.63 2dj6 n ASN 70 Cb 0.19 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 2dj6 n ASN 70 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2dj6 n ILE 71 N -1.78 0.33 -4.70 2.41 5.41 -0.32 -5.02 119.36 115.69 2dj6 n ILE 71 Ca 0.05 -0.24 -0.26 0.00 1.00 0.00 0.00 62.75 63.29 2dj6 n ILE 71 Cb 0.38 -0.51 -0.14 0.00 -0.71 0.00 0.00 39.64 38.65 2dj6 n ILE 71 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2dj6 s PHE 72 N -2.25 1.85 0.22 1.39 0.08 0.31 -5.02 117.98 114.57 2dj6 s PHE 72 Ca -0.03 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 2dj6 s PHE 72 Cb 0.03 -1.11 0.21 0.00 -0.57 0.00 0.00 43.02 41.57 2dj6 s PHE 72 CO 0.27 0.08 1.73 1.49 -0.10 0.00 0.00 175.22 178.70 2dj6 h GLU 73 N 4.94 1.00 -2.41 0.44 4.57 -1.86 -3.37 114.58 117.89 2dj6 h GLU 73 Ca -0.42 -0.25 -0.51 0.00 -1.18 0.00 0.00 59.36 56.99 2dj6 h GLU 73 Cb 1.16 -0.13 -0.37 0.00 -0.16 0.00 0.00 28.75 29.25 2dj6 h GLU 73 CO 0.44 0.92 -0.79 1.21 -1.18 0.00 0.00 179.01 179.62 2dj6 s ASN 74 N -6.54 2.47 -0.99 1.04 2.47 -1.26 -4.98 114.94 107.16 2dj6 s ASN 74 Ca -0.11 -1.88 -0.07 0.00 0.42 0.00 0.00 52.86 51.22 2dj6 s ASN 74 Cb 0.15 -0.09 -0.06 0.00 -1.45 0.00 0.00 41.25 39.80 2dj6 s ASN 74 CO 0.83 -0.31 2.19 -0.81 -3.72 0.00 0.00 177.10 175.28 2dj6 n PRO 75 N 4.26 2.24 -2.13 0.43 -0.04 -1.26 -4.75 135.00 133.75 2dj6 n PRO 75 Ca 0.10 -1.56 -0.32 0.00 -0.04 0.00 0.00 63.50 61.68 2dj6 n PRO 75 Cb 0.40 -2.51 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 2dj6 n PRO 75 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dj6 s THR 76 N 3.34 4.48 0.33 0.52 -4.23 -1.26 -4.87 115.64 113.94 2dj6 s THR 76 Ca 0.43 1.03 0.06 0.00 -1.18 0.00 0.00 61.69 62.03 2dj6 s THR 76 Cb 0.11 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.55 2dj6 s THR 76 CO -0.03 -0.83 1.86 0.74 -0.54 0.00 0.00 174.62 175.82 2dj6 h THR 77 N 0.35 0.88 -0.19 3.99 2.02 -1.98 -1.51 112.91 116.48 2dj6 h THR 77 Ca -0.46 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2dj6 h THR 77 Cb 1.19 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2dj6 h THR 77 CO 0.61 0.15 0.09 -0.33 0.37 0.00 0.00 175.52 176.41 2dj6 h GLU 78 N 0.82 0.27 -0.57 6.66 3.07 -1.96 -1.26 114.58 121.62 2dj6 h GLU 78 Ca 0.46 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.22 2dj6 h GLU 78 Cb 0.60 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2dj6 h GLU 78 CO -0.22 0.29 0.10 -0.91 -1.40 0.00 0.00 179.01 176.86 2dj6 h ASN 79 N 0.18 0.85 -0.56 1.42 2.35 -1.62 -0.96 115.58 117.25 2dj6 h ASN 79 Ca 0.06 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 2dj6 h ASN 79 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2dj6 h ASN 79 CO -0.01 0.86 0.10 0.40 -1.65 0.00 0.00 177.43 177.13 2dj6 h ILE 80 N 0.86 1.25 -0.60 2.81 2.04 -1.17 -1.85 117.51 120.85 2dj6 h ILE 80 Ca 0.18 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2dj6 h ILE 80 Cb 0.37 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2dj6 h ILE 80 CO 0.01 0.35 0.26 0.00 0.00 0.00 0.00 178.15 178.76 2dj6 h ALA 81 N 1.00 0.77 -0.44 1.87 0.00 -0.82 -0.45 119.26 121.19 2dj6 h ALA 81 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dj6 h ALA 81 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2dj6 h ALA 81 CO 0.01 0.37 0.27 -0.07 0.00 0.00 0.00 179.25 179.83 2dj6 h LEU 82 N 0.82 0.52 -0.52 0.00 3.38 -1.03 -0.16 115.31 118.32 2dj6 h LEU 82 Ca 0.20 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2dj6 h LEU 82 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2dj6 h LEU 82 CO -0.02 0.41 0.25 -0.25 0.09 0.00 0.00 178.44 178.92 2dj6 h TRP 83 N 0.59 0.76 -0.42 1.13 7.01 -1.04 -1.64 115.95 122.33 2dj6 h TRP 83 Ca 0.16 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 2dj6 h TRP 83 Cb -0.02 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 2dj6 h TRP 83 CO -0.04 0.59 0.21 0.82 -2.79 0.00 0.00 178.44 177.24 2dj6 h ILE 84 N 0.70 1.17 -0.75 2.65 2.04 -0.73 -2.36 117.51 120.22 2dj6 h ILE 84 Ca 0.18 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2dj6 h ILE 84 Cb 0.13 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2dj6 h ILE 84 CO -0.02 0.18 0.48 1.23 0.00 0.00 0.00 178.15 180.02 2dj6 h GLY 85 N 0.54 1.08 0.98 5.37 0.00 -0.82 -1.06 103.07 109.15 2dj6 h GLY 85 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2dj6 h GLY 85 CO -0.02 0.42 0.26 0.83 0.00 0.00 0.00 176.54 178.03 2dj6 h GLU 86 N 1.03 0.72 -0.54 4.80 5.08 -1.13 -1.31 114.58 123.23 2dj6 h GLU 86 Ca 0.27 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2dj6 h GLU 86 Cb -0.08 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2dj6 h GLU 86 CO -0.06 0.58 0.14 0.00 -1.00 0.00 0.00 179.01 178.67 2dj6 h ARG 87 N 0.68 0.86 -0.13 2.33 2.47 -1.14 -2.30 114.38 117.14 2dj6 h ARG 87 Ca 0.18 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2dj6 h ARG 87 Cb 0.08 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2dj6 h ARG 87 CO -0.03 0.80 0.02 0.82 0.56 0.00 0.00 179.97 182.14 2dj6 h ILE 88 N 0.75 1.23 -0.73 2.04 2.04 -1.03 -2.95 117.51 118.85 2dj6 h ILE 88 Ca 0.17 -0.72 0.09 0.00 1.00 0.00 0.00 64.86 65.40 2dj6 h ILE 88 Cb 0.33 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 2dj6 h ILE 88 CO 0.00 0.21 0.39 -0.09 0.00 0.00 0.00 178.15 178.66 2dj6 h ARG 89 N -0.01 0.65 0.00 2.37 2.43 -1.22 -0.41 114.38 118.18 2dj6 h ARG 89 Ca 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2dj6 h ARG 89 Cb 0.31 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2dj6 h ARG 89 CO 0.00 0.43 -0.03 0.22 -1.51 0.00 0.00 179.97 179.08 2dj6 h ASP 90 N 0.67 0.00 -0.01 -3.80 3.58 -1.29 -2.99 116.42 112.59 2dj6 h ASP 90 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2dj6 h ASP 90 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2dj6 h ASP 90 CO -0.24 0.03 -0.52 0.29 -2.88 0.00 0.00 179.24 175.92 2dj6 n LYS 91 N -3.69 1.96 -2.10 0.28 4.76 -0.25 -5.02 118.16 114.11 2dj6 n LYS 91 Ca -0.03 -0.36 -0.38 0.00 -2.87 0.00 0.00 58.31 54.67 2dj6 n LYS 91 Cb 0.13 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2dj6 n LYS 91 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dj6 s LEU 92 N -2.37 4.03 0.82 -0.35 1.43 -0.70 -5.00 118.68 116.54 2dj6 s LEU 92 Ca 0.09 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 2dj6 s LEU 92 Cb 0.12 -4.16 0.09 0.00 0.03 0.00 0.00 46.19 42.27 2dj6 s LEU 92 CO 0.50 -1.05 1.13 -2.16 0.23 0.00 0.00 176.35 175.01 2dj6 s PRO 93 N -2.62 1.74 0.00 1.29 0.04 -1.26 -4.90 135.00 129.30 2dj6 s PRO 93 Ca 0.64 1.42 0.09 0.00 0.04 0.00 0.00 61.00 63.19 2dj6 s PRO 93 Cb -0.34 -1.82 0.53 0.00 0.04 0.00 0.00 34.50 32.91 2dj6 s PRO 93 CO 0.41 -2.07 1.03 -0.35 0.04 0.00 0.00 177.00 176.07 2dj6 n PRO 94 N -3.65 0.25 0.00 0.56 -0.04 -1.26 -3.08 135.00 127.78 2dj6 n PRO 94 Ca 0.11 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.70 2dj6 n PRO 94 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 2dj6 n PRO 94 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2dj6 n TYR 95 N -1.06 0.00 -4.51 0.54 4.11 -1.26 -5.00 117.16 109.98 2dj6 n TYR 95 Ca 0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.72 2dj6 n TYR 95 Cb 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.27 2dj6 n TYR 95 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2dj6 s VAL 96 N -1.75 1.86 0.01 -3.48 -7.23 -1.18 -4.62 120.40 104.01 2dj6 s VAL 96 Ca 0.19 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 2dj6 s VAL 96 Cb 0.15 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2dj6 s VAL 96 CO 0.31 -0.17 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.02 2dj6 s LYS 97 N -3.70 1.29 -0.24 4.82 2.20 -0.06 -4.86 119.74 119.19 2dj6 s LYS 97 Ca 0.33 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 2dj6 s LYS 97 Cb 0.05 -1.29 -0.00 0.00 -1.51 0.00 0.00 37.83 35.08 2dj6 s LYS 97 CO 0.15 0.34 1.23 -1.17 -0.36 0.00 0.00 175.35 175.54 2dj6 s LEU 98 N -0.67 4.03 -0.25 5.43 2.96 -1.26 -0.55 118.68 128.37 2dj6 s LEU 98 Ca 0.06 1.40 -0.04 0.00 -0.22 0.00 0.00 54.13 55.33 2dj6 s LEU 98 Cb -0.07 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.91 2dj6 s LEU 98 CO 0.00 -0.88 -0.17 1.17 -1.32 0.00 0.00 176.35 175.15 2dj6 n LYS 99 N 6.87 0.64 -3.64 1.98 3.00 -0.41 -4.56 118.16 122.04 2dj6 n LYS 99 Ca 0.14 0.21 -0.15 0.00 -0.00 0.00 0.00 58.31 58.51 2dj6 n LYS 99 Cb 0.46 -1.55 -0.08 0.00 0.00 0.00 0.00 35.03 33.87 2dj6 n LYS 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dj6 s ARG 100 N -2.51 0.80 -0.08 1.64 3.52 -0.95 -0.81 118.95 120.55 2dj6 s ARG 100 Ca -0.34 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 2dj6 s ARG 100 Cb 0.10 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 2dj6 s ARG 100 CO 0.59 -0.17 -0.09 0.08 -0.81 0.00 0.00 175.30 174.90 2dj6 s VAL 101 N -0.33 1.02 -0.16 7.11 1.01 -0.22 -0.59 120.40 128.23 2dj6 s VAL 101 Ca -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2dj6 s VAL 101 Cb -0.03 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2dj6 s VAL 101 CO 0.04 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 2dj6 s VAL 102 N 1.17 1.80 -0.18 2.92 1.01 -0.19 -0.40 120.40 126.53 2dj6 s VAL 102 Ca -0.05 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2dj6 s VAL 102 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2dj6 s VAL 102 CO -0.02 0.50 -0.15 -0.22 0.00 0.00 0.00 175.10 175.21 2dj6 s LEU 103 N 1.36 2.42 -0.19 3.92 2.96 0.15 -0.97 118.68 128.32 2dj6 s LEU 103 Ca 0.04 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 2dj6 s LEU 103 Cb -0.13 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2dj6 s LEU 103 CO -0.11 0.02 0.03 0.26 -1.32 0.00 0.00 176.35 175.23 2dj6 s TRP 104 N 1.20 3.14 -0.82 5.38 0.52 0.63 -0.59 118.94 128.39 2dj6 s TRP 104 Ca 0.02 -0.18 -0.16 0.00 0.02 0.00 0.00 56.10 55.80 2dj6 s TRP 104 Cb -0.14 -2.09 0.18 0.00 -1.15 0.00 0.00 33.47 30.27 2dj6 s TRP 104 CO -0.07 -0.05 0.86 -2.00 0.02 0.00 0.00 176.95 175.71 2dj6 s GLU 105 N 0.71 3.52 1.07 4.98 2.12 0.60 -1.06 118.70 130.65 2dj6 s GLU 105 Ca 0.02 -2.11 0.00 0.00 0.36 0.00 0.00 54.97 53.24 2dj6 s GLU 105 Cb -0.14 -4.55 0.00 0.00 0.26 0.00 0.00 34.13 29.70 2dj6 s GLU 105 CO 0.02 -1.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.69 2dj6 n GLY 106 N 4.61 -1.80 0.10 -1.50 0.00 -0.78 -4.10 105.19 101.71 2dj6 n GLY 106 Ca 0.13 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.69 2dj6 n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dj6 n LYS 107 N 0.00 0.46 -0.00 1.61 4.76 -1.26 -4.55 118.16 119.18 2dj6 n LYS 107 Ca 0.00 -0.20 0.09 0.00 -2.87 0.00 0.00 58.31 55.33 2dj6 n LYS 107 Cb 0.00 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.61 2dj6 n LYS 107 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dj6 n ASP 108 N -1.18 0.93 -3.79 4.39 10.43 -1.26 -4.95 116.55 121.13 2dj6 n ASP 108 Ca 0.05 -0.96 -0.15 0.00 2.57 0.00 0.00 54.79 56.30 2dj6 n ASP 108 Cb 0.35 1.01 -0.16 0.00 1.84 0.00 0.00 41.12 44.16 2dj6 n ASP 108 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2dj6 s ASN 109 N -2.89 0.14 0.30 -2.24 0.01 -1.26 -5.08 114.94 103.92 2dj6 s ASN 109 Ca 0.07 0.02 -0.10 0.00 -0.71 0.00 0.00 52.86 52.15 2dj6 s ASN 109 Cb 0.15 -0.10 0.01 0.00 0.41 0.00 0.00 41.25 41.72 2dj6 s ASN 109 CO 0.82 -0.11 0.53 -0.83 -1.51 0.00 0.00 177.10 175.99 2dj6 s GLY 110 N 0.99 0.85 -0.02 0.66 0.00 -1.26 -0.29 107.32 108.25 2dj6 s GLY 110 Ca -0.09 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.61 2dj6 s GLY 110 CO -0.03 -0.70 -0.19 0.14 0.00 0.00 0.00 173.10 172.32 2dj6 s VAL 111 N -3.39 1.50 -0.13 1.40 1.01 0.24 -4.97 120.40 116.06 2dj6 s VAL 111 Ca 0.24 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2dj6 s VAL 111 Cb -0.01 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2dj6 s VAL 111 CO 0.13 0.43 -0.18 -0.70 0.00 0.00 0.00 175.10 174.78 2dj6 s GLU 112 N -0.37 2.53 -0.12 2.72 2.12 -1.26 -0.68 118.70 123.64 2dj6 s GLU 112 Ca 0.05 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.72 2dj6 s GLU 112 Cb -0.08 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 2dj6 s GLU 112 CO -0.00 -0.07 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.00 2dj6 s LEU 113 N 1.00 2.72 -0.01 2.70 1.43 0.47 -4.99 118.68 122.00 2dj6 s LEU 113 Ca -0.05 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2dj6 s LEU 113 Cb -0.15 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 2dj6 s LEU 113 CO -0.03 0.20 -0.07 -0.70 0.23 0.00 0.00 176.35 175.97 2dj6 s GLU 114 N 0.17 0.65 0.00 1.70 2.12 -1.26 -1.06 118.70 121.02 2dj6 s GLU 114 Ca -0.07 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.05 2dj6 s GLU 114 Cb -0.15 -0.63 0.02 0.00 0.26 0.00 0.00 34.13 33.63 2dj6 s GLU 114 CO 0.05 0.11 0.59 0.91 -0.54 0.00 0.00 175.26 176.38