#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8k n ILE 2 N 0.00 0.00 -0.59 -1.44 3.06 -1.26 -4.97 119.36 114.16 1j8k n ILE 2 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1j8k n ILE 2 Cb 0.00 -0.61 0.00 0.00 0.54 0.00 0.00 39.64 39.57 1j8k n ILE 2 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1j8k n ASP 3 N -3.61 0.67 -1.99 9.51 2.03 -1.26 -5.08 116.55 116.82 1j8k n ASP 3 Ca 0.08 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 54.13 1j8k n ASP 3 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1j8k n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1j8k n ARG 4 N -0.13 -5.33 -1.10 -0.67 3.00 -1.26 -4.95 116.66 106.22 1j8k n ARG 4 Ca 0.00 3.81 -0.29 0.00 -0.01 0.00 0.00 57.85 61.35 1j8k n ARG 4 Cb 0.31 -4.19 0.22 0.00 0.00 0.00 0.00 32.46 28.80 1j8k n ARG 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1j8k s PRO 5 N -1.45 -0.59 0.16 5.56 0.04 -1.26 -4.96 135.00 132.50 1j8k s PRO 5 Ca 0.00 0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.02 1j8k s PRO 5 Cb 0.00 -1.65 0.05 0.00 0.04 0.00 0.00 34.50 32.95 1j8k s PRO 5 CO 0.00 -3.34 0.54 0.15 0.04 0.00 0.00 177.00 174.39 1j8k s LYS 6 N -5.20 1.26 -0.84 4.56 -0.14 -1.26 -4.96 119.74 113.16 1j8k s LYS 6 Ca 0.69 -0.60 -0.03 0.00 -1.36 0.00 0.00 55.97 54.67 1j8k s LYS 6 Cb -0.14 0.55 -0.02 0.00 -1.68 0.00 0.00 37.83 36.55 1j8k s LYS 6 CO 0.57 -0.54 0.75 0.41 -0.76 0.00 0.00 175.35 175.78 1j8k n GLY 7 N -0.34 -1.22 3.75 -3.33 0.00 -1.26 -4.03 105.19 98.76 1j8k n GLY 7 Ca -0.15 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 1j8k n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j8k s LEU 8 N -4.52 4.60 0.32 0.99 2.96 -1.26 -4.09 118.68 117.67 1j8k s LEU 8 Ca 0.13 2.01 0.10 0.00 -0.22 0.00 0.00 54.13 56.15 1j8k s LEU 8 Cb -0.02 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 1j8k s LEU 8 CO 0.76 0.04 -0.11 0.00 -1.32 0.00 0.00 176.35 175.72 1j8k s ALA 9 N -0.95 2.93 0.28 5.97 0.00 0.08 -4.98 121.76 125.08 1j8k s ALA 9 Ca 0.43 -1.98 0.10 0.00 0.00 0.00 0.00 51.96 50.52 1j8k s ALA 9 Cb -0.27 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1j8k s ALA 9 CO 0.34 0.16 -0.16 -0.06 0.00 0.00 0.00 175.76 176.03 1j8k s PHE 10 N -2.55 2.18 -0.05 0.00 0.08 -1.26 -0.70 117.98 115.68 1j8k s PHE 10 Ca 0.32 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1j8k s PHE 10 Cb -0.01 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 1j8k s PHE 10 CO 0.17 0.60 -0.03 2.41 -0.10 0.00 0.00 175.22 178.26 1j8k n THR 11 N -0.60 0.29 -3.64 0.64 -1.04 0.22 -4.83 114.28 105.31 1j8k n THR 11 Ca -0.06 -0.13 -0.06 0.00 -2.04 0.00 0.00 64.05 61.76 1j8k n THR 11 Cb 0.61 -0.73 -0.07 0.00 -1.82 0.00 0.00 70.33 68.32 1j8k n THR 11 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j8k s ASP 12 N -4.24 -0.48 0.28 8.00 -1.08 -1.12 -4.96 116.67 113.08 1j8k s ASP 12 Ca -0.06 0.85 0.09 0.00 -0.52 0.00 0.00 52.55 52.91 1j8k s ASP 12 Cb 0.02 1.00 -0.04 0.00 -1.46 0.00 0.00 42.92 42.43 1j8k s ASP 12 CO 0.13 -0.14 0.09 0.54 0.52 0.00 0.00 175.17 176.31 1j8k s VAL 13 N 0.68 3.58 -0.27 1.11 0.11 -1.26 0.33 120.40 124.68 1j8k s VAL 13 Ca -0.02 -1.71 -0.26 0.00 -2.93 0.00 0.00 61.98 57.06 1j8k s VAL 13 Cb -0.04 -3.02 0.13 0.00 -1.53 0.00 0.00 36.38 31.91 1j8k s VAL 13 CO -0.10 -0.31 1.08 -0.62 -3.33 0.00 0.00 175.10 171.82 1j8k s ASP 14 N -3.77 -0.39 0.41 3.54 -1.08 0.55 -4.72 116.67 111.21 1j8k s ASP 14 Ca 0.34 0.72 0.25 0.00 -0.52 0.00 0.00 52.55 53.34 1j8k s ASP 14 Cb -0.06 0.72 1.33 0.00 -1.46 0.00 0.00 42.92 43.45 1j8k s ASP 14 CO 0.22 -0.15 1.64 1.62 0.52 0.00 0.00 175.17 179.02 1j8k h VAL 15 N 3.42 0.17 -0.84 1.11 3.04 -1.69 0.21 116.25 121.67 1j8k h VAL 15 Ca -0.27 -0.05 -0.45 0.00 -1.01 0.00 0.00 66.70 64.92 1j8k h VAL 15 Cb 1.18 0.02 -0.42 0.00 -2.01 0.00 0.00 31.29 30.06 1j8k h VAL 15 CO 0.14 0.03 -0.93 -0.90 -1.01 0.00 0.00 177.57 174.89 1j8k n ASP 16 N -4.83 3.56 0.00 3.17 5.75 -1.21 -3.55 116.55 119.44 1j8k n ASP 16 Ca 0.35 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.98 1j8k n ASP 16 Cb 1.29 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1j8k n ASP 16 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1j8k n SER 17 N -0.56 0.00 -3.49 -1.12 7.64 0.06 -2.33 113.62 113.82 1j8k n SER 17 Ca 0.29 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.95 1j8k n SER 17 Cb 0.85 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.92 1j8k n SER 17 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1j8k s ILE 18 N 0.00 -0.26 -0.10 0.44 1.01 0.23 0.21 121.20 122.73 1j8k s ILE 18 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 60.65 60.02 1j8k s ILE 18 Cb 0.00 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 1j8k s ILE 18 CO 0.00 -0.40 0.86 -0.54 0.00 0.00 0.00 174.94 174.86 1j8k s LYS 19 N 2.26 4.41 0.05 2.79 3.01 0.15 -2.13 119.74 130.28 1j8k s LYS 19 Ca 0.07 1.13 0.01 0.00 -1.01 0.00 0.00 55.97 56.18 1j8k s LYS 19 Cb -0.15 -3.51 -0.03 0.00 -1.01 0.00 0.00 37.83 33.13 1j8k s LYS 19 CO -0.23 -0.17 -0.06 0.96 0.51 0.00 0.00 175.35 176.37 1j8k s ILE 20 N 1.54 0.41 -0.05 2.17 -4.36 -1.09 -0.61 121.20 119.21 1j8k s ILE 20 Ca 0.43 -1.29 -0.02 0.00 -0.26 0.00 0.00 60.65 59.50 1j8k s ILE 20 Cb -0.18 -0.84 0.03 0.00 1.25 0.00 0.00 42.46 42.72 1j8k s ILE 20 CO 0.18 -0.59 0.08 0.00 0.24 0.00 0.00 174.94 174.84 1j8k s ALA 21 N -2.17 0.16 0.39 2.27 0.00 0.12 -1.97 121.76 120.57 1j8k s ALA 21 Ca -0.05 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1j8k s ALA 21 Cb -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1j8k s ALA 21 CO -0.02 -0.49 0.40 1.67 0.00 0.00 0.00 175.76 177.32 1j8k s TRP 22 N 2.16 2.82 -0.12 0.00 -2.14 -0.93 -0.74 118.94 119.99 1j8k s TRP 22 Ca 0.04 -0.39 -0.30 0.00 2.66 0.00 0.00 56.10 58.11 1j8k s TRP 22 Cb -0.12 -2.09 -0.01 0.00 -3.10 0.00 0.00 33.47 28.14 1j8k s TRP 22 CO -0.03 -0.09 1.10 -1.21 -2.66 0.00 0.00 176.95 174.06 1j8k s GLU 23 N -4.14 4.35 0.72 3.25 2.02 -1.26 -4.75 118.70 118.89 1j8k s GLU 23 Ca 0.47 1.50 -0.16 0.00 0.02 0.00 0.00 54.97 56.81 1j8k s GLU 23 Cb -0.06 -3.59 0.03 0.00 0.10 0.00 0.00 34.13 30.62 1j8k s GLU 23 CO 0.29 -0.45 1.23 0.45 0.02 0.00 0.00 175.26 176.79 1j8k s SER 24 N 1.33 4.20 1.13 -0.19 0.15 -1.26 -4.34 113.70 114.71 1j8k s SER 24 Ca 0.51 2.43 -0.18 0.00 0.70 0.00 0.00 55.95 59.40 1j8k s SER 24 Cb -0.20 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 61.77 1j8k s SER 24 CO 0.17 -2.26 1.15 -2.16 1.20 0.00 0.00 173.24 171.34 1j8k s PRO 25 N -3.81 -0.64 -0.11 5.44 0.04 -1.26 -4.90 135.00 129.76 1j8k s PRO 25 Ca 0.76 -0.09 -0.16 0.00 0.04 0.00 0.00 61.00 61.56 1j8k s PRO 25 Cb -0.31 -1.67 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1j8k s PRO 25 CO 0.45 -3.32 0.45 1.96 0.04 0.00 0.00 177.00 176.58 1j8k h GLN 26 N -2.30 -0.02 0.00 4.56 4.20 -1.94 -3.42 115.11 116.19 1j8k h GLN 26 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1j8k h GLN 26 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1j8k h GLN 26 CO 0.38 0.50 0.00 0.41 -0.67 0.00 0.00 178.83 179.45 1j8k n GLY 27 N 1.58 -2.01 0.00 3.46 0.00 -1.26 -5.00 105.19 101.96 1j8k n GLY 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j8k n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j8k n GLN 28 N 0.00 0.00 -1.71 1.61 7.27 -1.26 -5.13 117.38 118.15 1j8k n GLN 28 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1j8k n GLN 28 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1j8k n GLN 28 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1j8k n VAL 29 N 0.00 0.84 0.07 1.69 0.31 -1.26 -4.79 118.33 115.18 1j8k n VAL 29 Ca 0.00 -0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1j8k n VAL 29 Cb 0.00 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.12 1j8k n VAL 29 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1j8k h SER 30 N 4.82 0.00 -4.47 4.52 0.87 0.16 -3.47 113.55 115.99 1j8k h SER 30 Ca -0.46 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.98 1j8k h SER 30 Cb 1.24 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.98 1j8k h SER 30 CO 0.80 0.64 -0.23 -0.60 -0.53 0.00 0.00 176.83 176.91 1j8k s ARG 31 N -2.88 0.60 -0.44 2.24 6.06 -1.22 -4.98 118.95 118.32 1j8k s ARG 31 Ca -0.00 0.19 -0.14 0.00 -2.50 0.00 0.00 55.73 53.27 1j8k s ARG 31 Cb 0.08 0.28 0.06 0.00 0.06 0.00 0.00 34.95 35.43 1j8k s ARG 31 CO 0.79 -0.13 0.33 0.71 -2.50 0.00 0.00 175.30 174.50 1j8k s TYR 32 N -0.60 3.26 -0.21 5.12 2.02 -1.26 -1.81 117.35 123.88 1j8k s TYR 32 Ca -0.07 -0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 55.62 1j8k s TYR 32 Cb -0.04 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 1j8k s TYR 32 CO 0.03 -0.74 0.07 0.50 -1.57 0.00 0.00 175.55 173.85 1j8k s ARG 33 N 1.61 3.89 -0.12 -0.62 3.52 -0.89 -4.46 118.95 121.88 1j8k s ARG 33 Ca 0.04 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 1j8k s ARG 33 Cb -0.22 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1j8k s ARG 33 CO 0.07 0.12 -0.14 0.08 -0.81 0.00 0.00 175.30 174.62 1j8k s VAL 34 N 0.79 1.49 -0.07 7.11 1.01 -1.08 -0.80 120.40 128.85 1j8k s VAL 34 Ca 0.04 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1j8k s VAL 34 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1j8k s VAL 34 CO 0.02 0.44 -0.13 0.42 0.00 0.00 0.00 175.10 175.85 1j8k s THR 35 N 1.21 3.13 -0.01 3.92 -4.23 -0.42 0.21 115.64 119.46 1j8k s THR 35 Ca -0.02 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 1j8k s THR 35 Cb -0.14 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.45 1j8k s THR 35 CO -0.05 0.58 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.81 1j8k s TYR 36 N -0.51 0.67 0.20 3.99 1.13 -0.84 0.21 117.35 122.20 1j8k s TYR 36 Ca 0.07 -0.13 0.10 0.00 -1.41 0.00 0.00 57.07 55.70 1j8k s TYR 36 Cb -0.12 -0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 40.25 1j8k s TYR 36 CO 0.02 -0.02 -0.21 -1.54 -2.51 0.00 0.00 175.55 171.29 1j8k s SER 37 N -0.10 3.13 0.02 -0.18 1.04 0.50 -0.78 113.70 117.32 1j8k s SER 37 Ca 0.02 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 1j8k s SER 37 Cb -0.04 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 1j8k s SER 37 CO -0.00 0.03 0.04 -0.55 0.98 0.00 0.00 173.24 173.74 1j8k s SER 38 N -2.83 0.18 -0.54 7.02 0.15 0.40 -2.22 113.70 115.86 1j8k s SER 38 Ca 0.20 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 1j8k s SER 38 Cb -0.06 0.15 -0.15 0.00 -1.71 0.00 0.00 66.02 64.25 1j8k s SER 38 CO 0.09 -0.37 2.79 -0.81 1.20 0.00 0.00 173.24 176.15 1j8k n PRO 39 N 1.35 2.15 0.00 5.44 -0.04 -1.26 -3.05 135.00 139.59 1j8k n PRO 39 Ca -0.22 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1j8k n PRO 39 Cb 0.56 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1j8k n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j8k n GLU 40 N 3.14 0.00 -0.01 0.54 1.02 -1.26 -4.96 120.64 119.11 1j8k n GLU 40 Ca 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.56 1j8k n GLU 40 Cb 0.50 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.10 1j8k n GLU 40 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1j8k h ASP 41 N 0.00 0.56 0.00 1.62 3.32 -1.99 -3.49 116.42 116.44 1j8k h ASP 41 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1j8k h ASP 41 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1j8k h ASP 41 CO 0.00 0.77 0.00 0.61 -1.72 0.00 0.00 179.24 178.90 1j8k n GLY 42 N -0.41 0.25 3.09 2.75 0.00 -1.17 -4.97 105.19 104.74 1j8k n GLY 42 Ca 0.00 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 1j8k n GLY 42 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j8k s ILE 43 N 0.00 0.17 0.29 -0.61 2.07 -1.26 0.15 121.20 122.01 1j8k s ILE 43 Ca 0.00 -1.42 0.04 0.00 -1.41 0.00 0.00 60.65 57.86 1j8k s ILE 43 Cb 0.00 -1.15 -0.03 0.00 0.13 0.00 0.00 42.46 41.41 1j8k s ILE 43 CO 0.00 -0.79 0.21 -2.28 -1.91 0.00 0.00 174.94 170.18 1j8k s HIS 44 N -3.21 1.55 -0.00 3.50 2.46 0.04 -4.95 115.29 114.68 1j8k s HIS 44 Ca 0.00 -1.53 0.03 0.00 0.47 0.00 0.00 55.06 54.03 1j8k s HIS 44 Cb 0.03 -0.69 -0.01 0.00 -0.13 0.00 0.00 32.58 31.78 1j8k s HIS 44 CO -0.07 -0.74 -0.08 -1.21 -2.47 0.00 0.00 174.74 170.16 1j8k s GLU 45 N -3.72 0.66 -0.40 2.88 2.02 -1.26 -1.98 118.70 116.89 1j8k s GLU 45 Ca 0.39 -0.31 -0.16 0.00 0.02 0.00 0.00 54.97 54.90 1j8k s GLU 45 Cb 0.04 -0.63 0.01 0.00 0.10 0.00 0.00 34.13 33.66 1j8k s GLU 45 CO 0.21 0.17 0.40 -1.17 0.02 0.00 0.00 175.26 174.89 1j8k s LEU 46 N -0.26 4.81 -0.13 1.80 2.96 0.58 -4.88 118.68 123.56 1j8k s LEU 46 Ca 0.03 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1j8k s LEU 46 Cb -0.03 -2.34 -0.24 0.00 0.50 0.00 0.00 46.19 44.08 1j8k s LEU 46 CO -0.00 -0.51 0.30 0.33 -1.32 0.00 0.00 176.35 175.15 1j8k n PHE 47 N 5.48 0.82 -2.32 5.38 7.35 -1.26 -2.63 117.46 130.28 1j8k n PHE 47 Ca -0.08 0.21 -0.43 0.00 -0.76 0.00 0.00 57.45 56.39 1j8k n PHE 47 Cb 0.48 -1.12 -0.02 0.00 0.35 0.00 0.00 39.48 39.16 1j8k n PHE 47 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1j8k s PRO 48 N -2.55 3.49 -0.19 -7.13 0.04 -1.26 -4.83 135.00 122.56 1j8k s PRO 48 Ca -0.19 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 61.59 1j8k s PRO 48 Cb 0.07 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1j8k s PRO 48 CO 0.76 -1.68 0.39 0.00 0.04 0.00 0.00 177.00 176.52 1j8k s ALA 49 N 5.74 3.55 0.05 8.56 0.00 -1.26 -4.96 121.76 133.44 1j8k s ALA 49 Ca 0.62 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1j8k s ALA 49 Cb -0.14 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 1j8k s ALA 49 CO 0.31 -0.23 1.25 -1.25 0.00 0.00 0.00 175.76 175.85 1j8k s PRO 50 N 1.16 4.38 0.26 0.00 0.04 -1.26 -4.83 135.00 134.75 1j8k s PRO 50 Ca 0.19 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1j8k s PRO 50 Cb -0.15 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1j8k s PRO 50 CO 0.08 -0.35 0.00 -3.47 0.04 0.00 0.00 177.00 173.30 1j8k n ASP 51 N 4.29 -3.50 -0.26 6.66 2.03 -1.26 -3.35 116.55 121.15 1j8k n ASP 51 Ca 0.10 0.56 0.10 0.00 0.52 0.00 0.00 54.79 56.07 1j8k n ASP 51 Cb 0.45 -1.81 -0.05 0.00 -0.72 0.00 0.00 41.12 38.99 1j8k n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j8k n GLY 52 N -1.76 -0.38 0.00 0.27 0.00 -1.26 -4.34 105.19 97.72 1j8k n GLY 52 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1j8k n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j8k n GLU 53 N -0.68 1.42 -2.09 1.61 -0.58 -1.26 -4.91 120.64 114.15 1j8k n GLU 53 Ca 0.06 -0.97 -0.43 0.00 -0.42 0.00 0.00 57.16 55.41 1j8k n GLU 53 Cb 0.38 -0.78 -0.03 0.00 -0.57 0.00 0.00 31.44 30.45 1j8k n GLU 53 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1j8k s GLU 54 N -0.50 3.88 -0.12 3.49 2.56 -1.21 -4.86 118.70 121.94 1j8k s GLU 54 Ca 0.00 1.78 0.17 0.00 0.00 0.00 0.00 54.97 56.93 1j8k s GLU 54 Cb 0.00 -4.02 0.72 0.00 2.00 0.00 0.00 34.13 32.83 1j8k s GLU 54 CO 0.00 -1.19 1.62 -0.40 -0.56 0.00 0.00 175.26 174.73 1j8k n ASP 55 N 8.15 4.76 -1.62 -1.70 5.75 -1.26 -4.85 116.55 125.78 1j8k n ASP 55 Ca 0.18 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 1j8k n ASP 55 Cb 0.45 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1j8k n ASP 55 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1j8k n THR 56 N 1.05 0.00 -3.59 2.12 -2.24 -1.26 -2.20 114.28 108.17 1j8k n THR 56 Ca 0.25 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1j8k n THR 56 Cb 0.91 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1j8k n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8k s ALA 57 N -2.00 -2.00 -0.55 6.98 0.00 -0.83 -4.87 121.76 118.49 1j8k s ALA 57 Ca 0.00 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 1j8k s ALA 57 Cb 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 23.12 22.71 1j8k s ALA 57 CO 0.00 -0.43 0.39 -1.21 0.00 0.00 0.00 175.76 174.51 1j8k s GLU 58 N -1.75 2.51 -1.15 0.00 2.02 -1.26 -2.67 118.70 116.40 1j8k s GLU 58 Ca 0.05 -2.12 -0.20 0.00 0.02 0.00 0.00 54.97 52.72 1j8k s GLU 58 Cb -0.01 -3.83 0.06 0.00 0.10 0.00 0.00 34.13 30.46 1j8k s GLU 58 CO -0.04 -1.17 1.57 -0.51 0.02 0.00 0.00 175.26 175.14 1j8k s LEU 59 N 0.69 3.74 -0.13 1.80 1.43 -0.91 -4.93 118.68 120.38 1j8k s LEU 59 Ca 0.11 -1.97 0.02 0.00 -1.03 0.00 0.00 54.13 51.26 1j8k s LEU 59 Cb -0.22 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 1j8k s LEU 59 CO -0.03 -1.32 -0.18 -1.10 0.23 0.00 0.00 176.35 173.94 1j8k s GLN 60 N 4.48 3.18 0.00 1.70 -0.21 -1.26 0.77 119.66 128.31 1j8k s GLN 60 Ca 0.49 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1j8k s GLN 60 Cb 0.02 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1j8k s GLN 60 CO -0.01 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.68 1j8k n GLY 61 N 3.76 0.78 3.63 3.09 0.00 -0.98 -4.95 105.19 110.51 1j8k n GLY 61 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1j8k n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8k s LEU 62 N 0.00 3.16 -0.00 0.99 1.43 -1.24 -4.99 118.68 118.03 1j8k s LEU 62 Ca 0.00 -0.57 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1j8k s LEU 62 Cb 0.00 -1.76 -0.11 0.00 0.03 0.00 0.00 46.19 44.35 1j8k s LEU 62 CO 0.00 0.05 0.30 -2.11 0.23 0.00 0.00 176.35 174.82 1j8k n ARG 63 N -0.46 2.75 -1.54 1.70 -4.01 -1.24 -3.29 116.66 110.56 1j8k n ARG 63 Ca -0.08 -0.03 -0.30 0.00 -1.04 0.00 0.00 57.85 56.40 1j8k n ARG 63 Cb 0.57 -1.02 0.19 0.00 -3.04 0.00 0.00 32.46 29.16 1j8k n ARG 63 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1j8k s PRO 64 N -2.11 0.17 -0.21 2.89 0.04 -1.23 -4.88 135.00 129.67 1j8k s PRO 64 Ca 0.01 -0.10 0.16 0.00 0.04 0.00 0.00 61.00 61.10 1j8k s PRO 64 Cb 0.06 -1.76 0.37 0.00 0.04 0.00 0.00 34.50 33.21 1j8k s PRO 64 CO 0.36 -2.78 1.27 0.41 0.04 0.00 0.00 177.00 176.30 1j8k n GLY 65 N -2.41 1.57 0.00 0.56 0.00 -1.25 -4.33 105.19 99.32 1j8k n GLY 65 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1j8k n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j8k n SER 66 N -0.72 0.00 -4.68 1.61 3.41 -1.00 -4.44 113.62 107.80 1j8k n SER 66 Ca -0.09 -0.99 -0.64 0.00 -0.26 0.00 0.00 58.87 56.89 1j8k n SER 66 Cb 0.86 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 1j8k n SER 66 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1j8k n GLU 67 N 0.00 0.21 -4.36 4.33 2.13 -1.26 -1.17 120.64 120.52 1j8k n GLU 67 Ca 0.00 0.08 -0.34 0.00 0.66 0.00 0.00 57.16 57.56 1j8k n GLU 67 Cb 0.00 -1.61 -0.13 0.00 0.27 0.00 0.00 31.44 29.98 1j8k n GLU 67 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1j8k s TYR 68 N 2.24 2.99 -0.65 4.31 5.04 0.17 -4.84 117.35 126.63 1j8k s TYR 68 Ca 1.00 -0.41 -0.19 0.00 -2.44 0.00 0.00 57.07 55.03 1j8k s TYR 68 Cb -1.36 -1.97 0.11 0.00 0.35 0.00 0.00 41.96 39.09 1j8k s TYR 68 CO 0.72 -0.13 0.77 0.99 -1.34 0.00 0.00 175.55 176.57 1j8k s THR 69 N 0.54 4.82 -0.22 4.34 2.01 -0.94 -2.44 115.64 123.75 1j8k s THR 69 Ca -0.03 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 1j8k s THR 69 Cb -0.14 -4.53 0.00 0.00 0.01 0.00 0.00 72.50 67.83 1j8k s THR 69 CO 0.03 -1.19 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.01 1j8k s VAL 70 N 2.63 3.10 -0.38 3.82 1.01 -1.05 0.19 120.40 129.73 1j8k s VAL 70 Ca 0.15 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1j8k s VAL 70 Cb -0.21 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1j8k s VAL 70 CO 0.04 0.41 0.25 -0.44 0.00 0.00 0.00 175.10 175.37 1j8k s SER 71 N 1.43 5.96 -0.05 3.32 0.01 0.57 0.63 113.70 125.57 1j8k s SER 71 Ca 0.05 -0.82 -0.27 0.00 1.31 0.00 0.00 55.95 56.22 1j8k s SER 71 Cb -0.14 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 1j8k s SER 71 CO -0.05 -0.38 0.88 -0.69 0.41 0.00 0.00 173.24 173.41 1j8k s VAL 72 N 1.65 4.92 -0.07 3.43 1.01 -0.95 -1.30 120.40 129.09 1j8k s VAL 72 Ca 0.04 1.81 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1j8k s VAL 72 Cb -0.19 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 1j8k s VAL 72 CO 0.09 0.16 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 1j8k s VAL 73 N 1.18 1.78 -0.15 2.92 1.01 0.02 0.24 120.40 127.40 1j8k s VAL 73 Ca 0.45 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1j8k s VAL 73 Cb -0.19 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1j8k s VAL 73 CO 0.22 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.93 1j8k s ALA 74 N 0.18 3.70 -0.15 5.51 0.00 -1.26 -2.09 121.76 127.64 1j8k s ALA 74 Ca -0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1j8k s ALA 74 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1j8k s ALA 74 CO 0.05 0.43 0.03 -0.51 0.00 0.00 0.00 175.76 175.76 1j8k s LEU 75 N -0.44 3.69 -0.56 0.00 1.43 -0.75 -3.99 118.68 118.07 1j8k s LEU 75 Ca 0.11 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1j8k s LEU 75 Cb -0.12 -1.90 0.14 0.00 0.03 0.00 0.00 46.19 44.34 1j8k s LEU 75 CO 0.02 0.25 0.31 -2.28 0.23 0.00 0.00 176.35 174.87 1j8k s HIS 76 N -0.07 3.25 0.00 0.29 2.46 -1.26 0.19 115.29 120.15 1j8k s HIS 76 Ca 0.05 -3.18 0.00 0.00 0.47 0.00 0.00 55.06 52.40 1j8k s HIS 76 Cb -0.12 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 29.50 1j8k s HIS 76 CO 0.01 -0.72 0.00 -0.25 -2.47 0.00 0.00 174.74 171.32 1j8k n ASP 77 N 2.96 0.00 -1.90 9.88 8.00 -1.26 -2.96 116.55 131.26 1j8k n ASP 77 Ca 0.07 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.55 1j8k n ASP 77 Cb 0.33 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.48 1j8k n ASP 77 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j8k n ASP 78 N 1.72 -0.85 -4.65 -2.24 2.03 -1.26 -5.04 116.55 106.26 1j8k n ASP 78 Ca 0.00 -1.64 -0.26 0.00 0.52 0.00 0.00 54.79 53.41 1j8k n ASP 78 Cb 0.00 0.37 -0.08 0.00 -0.72 0.00 0.00 41.12 40.70 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1j8k s MET 79 N 0.06 2.33 -0.58 -0.67 1.75 -1.16 -5.06 119.30 115.98 1j8k s MET 79 Ca 0.04 -1.18 0.06 0.00 -1.25 0.00 0.00 55.69 53.36 1j8k s MET 79 Cb 0.22 -2.29 0.31 0.00 2.84 0.00 0.00 34.83 35.90 1j8k s MET 79 CO -0.06 0.44 0.86 0.39 -0.65 0.00 0.00 175.02 176.00 1j8k n GLU 80 N -0.23 2.84 -1.63 4.11 4.71 -1.26 -4.00 120.64 125.17 1j8k n GLU 80 Ca -0.09 -4.69 -0.39 0.00 -0.01 0.00 0.00 57.16 51.99 1j8k n GLU 80 Cb 0.56 -2.19 0.04 0.00 -1.01 0.00 0.00 31.44 28.84 1j8k n GLU 80 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1j8k n SER 81 N 0.16 1.14 -4.48 1.62 3.41 -1.26 -4.84 113.62 109.38 1j8k n SER 81 Ca 0.30 0.87 -0.46 0.00 -0.26 0.00 0.00 58.87 59.33 1j8k n SER 81 Cb 0.41 -1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 62.94 1j8k n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8k n GLN 82 N -0.78 0.61 -2.55 4.33 3.00 -1.26 -4.56 117.38 116.17 1j8k n GLN 82 Ca 0.12 0.22 -0.41 0.00 -0.01 0.00 0.00 57.00 56.92 1j8k n GLN 82 Cb 0.45 -1.40 -0.04 0.00 0.00 0.00 0.00 30.24 29.26 1j8k n GLN 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1j8k s PRO 83 N -1.29 4.59 -0.97 -1.09 0.04 -1.26 -4.72 135.00 130.30 1j8k s PRO 83 Ca 0.62 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1j8k s PRO 83 Cb -0.80 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.44 1j8k s PRO 83 CO 0.58 0.05 1.63 -1.17 0.04 0.00 0.00 177.00 178.13 1j8k s LEU 84 N -0.04 3.37 0.60 -3.56 2.96 0.66 -4.59 118.68 118.08 1j8k s LEU 84 Ca 0.50 -1.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 1j8k s LEU 84 Cb -0.28 -2.57 -0.14 0.00 0.50 0.00 0.00 46.19 43.71 1j8k s LEU 84 CO 0.33 -1.98 -0.13 -0.38 -1.32 0.00 0.00 176.35 172.87 1j8k n ILE 85 N 7.24 0.31 -3.28 6.68 2.08 -1.26 -2.23 119.36 128.91 1j8k n ILE 85 Ca 0.35 -0.49 -0.13 0.00 0.56 0.00 0.00 62.75 63.03 1j8k n ILE 85 Cb 0.49 -0.11 -0.06 0.00 -0.75 0.00 0.00 39.64 39.22 1j8k n ILE 85 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1j8k s GLY 86 N -1.05 -0.25 -0.48 7.39 0.00 0.21 -4.80 107.32 108.33 1j8k s GLY 86 Ca 0.56 -0.87 -0.25 0.00 0.00 0.00 0.00 44.72 44.17 1j8k s GLY 86 CO 0.67 2.93 0.90 -1.59 0.00 0.00 0.00 173.10 176.02 1j8k s THR 87 N 1.30 4.49 -0.10 0.90 2.01 -1.25 -2.51 115.64 120.48 1j8k s THR 87 Ca 0.20 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.77 1j8k s THR 87 Cb -0.10 -4.44 0.01 0.00 0.01 0.00 0.00 72.50 67.98 1j8k s THR 87 CO -0.05 -0.89 -0.18 -1.58 -0.69 0.00 0.00 174.62 171.23 1j8k s GLN 88 N 3.71 2.46 -0.68 4.92 2.00 -1.02 -4.82 119.66 126.22 1j8k s GLN 88 Ca 0.34 -0.66 -0.26 0.00 -2.00 0.00 0.00 55.36 52.77 1j8k s GLN 88 Cb -0.11 -1.97 -0.03 0.00 0.80 0.00 0.00 33.01 31.70 1j8k s GLN 88 CO 0.24 0.04 1.89 -1.54 -0.50 0.00 0.00 175.29 175.41 1j8k s SER 89 N 0.69 5.23 0.37 6.67 1.04 -1.26 -0.66 113.70 125.78 1j8k s SER 89 Ca -0.12 0.09 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 1j8k s SER 89 Cb -0.16 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.31 1j8k s SER 89 CO 0.03 -2.48 1.48 -0.89 0.98 0.00 0.00 173.24 172.37 1j8k s THR 90 N 9.36 2.09 0.00 2.02 2.01 -0.32 -4.78 115.64 126.02 1j8k s THR 90 Ca 0.68 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1j8k s THR 90 Cb -0.11 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1j8k s THR 90 CO 0.15 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1j8k n ALA 91 N 0.62 0.00 -2.72 7.40 0.00 -1.26 -2.38 120.51 122.17 1j8k n ALA 91 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 1j8k n ALA 91 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 1j8k n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1j8k s ILE 92 N -0.02 1.37 -1.07 0.00 -0.00 -1.26 -2.90 121.20 117.31 1j8k s ILE 92 Ca 0.00 -1.98 -0.22 0.00 -0.00 0.00 0.00 60.65 58.44 1j8k s ILE 92 Cb 0.00 -2.35 -0.00 0.00 -0.00 0.00 0.00 42.46 40.11 1j8k s ILE 92 CO 0.00 0.00 1.76 -2.16 -0.00 0.00 0.00 174.94 174.54 1j8k s PRO 93 N -3.86 3.12 0.00 0.37 0.04 -1.26 -4.19 135.00 129.22 1j8k s PRO 93 Ca 0.13 -1.05 0.28 0.00 0.04 0.00 0.00 61.00 60.41 1j8k s PRO 93 Cb 0.03 -5.28 1.06 0.00 0.04 0.00 0.00 34.50 30.35 1j8k s PRO 93 CO 0.07 -2.95 1.75 0.00 0.04 0.00 0.00 177.00 175.91