#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 0.03 2.41 3.06 -1.26 -4.89 119.36 118.71 1j8k n ILE 2 Ca 0.00 -0.12 0.01 0.00 -2.50 0.00 0.00 62.75 60.14 1j8k n ILE 2 Cb 0.00 -0.31 -0.08 0.00 0.54 0.00 0.00 39.64 39.79 1j8k n ILE 2 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1j8k n ASP 3 N 0.70 0.82 -1.76 9.51 9.92 -1.26 -5.07 116.55 129.41 1j8k n ASP 3 Ca 0.01 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1j8k n ASP 3 Cb 0.57 0.23 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 1j8k n ASP 3 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1j8k n ARG 4 N -2.86 -3.40 -1.79 -1.24 0.00 -1.26 -4.96 116.66 101.14 1j8k n ARG 4 Ca -0.10 2.46 -0.19 0.00 -0.00 0.00 0.00 57.85 60.03 1j8k n ARG 4 Cb 0.83 -2.90 0.11 0.00 -0.00 0.00 0.00 32.46 30.50 1j8k n ARG 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1j8k n PRO 5 N 0.44 -0.34 -3.65 2.89 -0.04 -1.26 -4.87 135.00 128.16 1j8k n PRO 5 Ca 0.00 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1j8k n PRO 5 Cb 0.00 -0.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 1j8k n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1j8k s LYS 6 N -4.69 0.15 0.00 0.54 1.02 -1.26 -4.95 119.74 110.55 1j8k s LYS 6 Ca 0.52 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.76 1j8k s LYS 6 Cb -0.02 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1j8k s LYS 6 CO 0.35 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 1j8k n GLY 7 N 3.10 0.69 3.87 -3.33 0.00 -1.26 -4.61 105.19 103.65 1j8k n GLY 7 Ca -0.17 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1j8k n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j8k s LEU 8 N -0.01 4.00 0.48 0.99 0.05 -1.26 -3.31 118.68 119.61 1j8k s LEU 8 Ca 0.00 1.12 0.02 0.00 0.05 0.00 0.00 54.13 55.33 1j8k s LEU 8 Cb 0.00 -3.95 -0.02 0.00 -2.05 0.00 0.00 46.19 40.17 1j8k s LEU 8 CO 0.00 -0.25 0.04 0.00 -0.55 0.00 0.00 176.35 175.59 1j8k s ALA 9 N -2.10 3.72 -0.06 1.48 0.00 0.20 -4.96 121.76 120.04 1j8k s ALA 9 Ca 0.51 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1j8k s ALA 9 Cb -0.10 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1j8k s ALA 9 CO 0.24 -0.12 -0.15 -0.06 0.00 0.00 0.00 175.76 175.67 1j8k s PHE 10 N -2.97 1.63 -0.17 0.00 0.08 -1.26 -1.63 117.98 113.66 1j8k s PHE 10 Ca 0.12 -0.57 0.07 0.00 0.12 0.00 0.00 56.93 56.68 1j8k s PHE 10 Cb 0.02 -1.15 -0.23 0.00 -0.57 0.00 0.00 43.02 41.10 1j8k s PHE 10 CO 0.07 -0.25 0.18 2.41 -0.10 0.00 0.00 175.22 177.53 1j8k n THR 11 N 3.56 1.55 -3.10 0.64 -1.04 0.60 -4.90 114.28 111.60 1j8k n THR 11 Ca -0.21 -0.72 0.05 0.00 -2.04 0.00 0.00 64.05 61.13 1j8k n THR 11 Cb 0.52 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 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 -6.24 -0.21 -0.37 8.00 -1.08 -1.00 -4.93 116.67 110.83 1j8k s ASP 12 Ca -0.18 0.01 -0.29 0.00 -0.52 0.00 0.00 52.55 51.57 1j8k s ASP 12 Cb 0.07 1.03 0.02 0.00 -1.46 0.00 0.00 42.92 42.58 1j8k s ASP 12 CO 0.75 -0.04 1.07 0.54 0.52 0.00 0.00 175.17 178.02 1j8k s VAL 13 N 2.85 4.44 0.13 1.11 0.11 -1.26 -1.83 120.40 125.95 1j8k s VAL 13 Ca 0.29 1.55 0.09 0.00 -2.93 0.00 0.00 61.98 60.98 1j8k s VAL 13 Cb 0.00 -4.46 -0.04 0.00 -1.53 0.00 0.00 36.38 30.36 1j8k s VAL 13 CO -0.22 -0.62 -0.23 -1.81 -3.33 0.00 0.00 175.10 168.89 1j8k s ASP 14 N 1.89 2.90 0.43 3.54 1.01 -0.59 -4.17 116.67 121.69 1j8k s ASP 14 Ca 0.45 -0.75 0.30 0.00 0.71 0.00 0.00 52.55 53.26 1j8k s ASP 14 Cb -0.11 -0.18 1.42 0.00 1.01 0.00 0.00 42.92 45.07 1j8k s ASP 14 CO 0.20 0.09 1.62 1.62 0.21 0.00 0.00 175.17 178.91 1j8k h VAL 15 N 3.80 0.11 -1.40 -1.27 3.04 -1.80 -1.68 116.25 117.06 1j8k h VAL 15 Ca -0.47 -0.03 -0.42 0.00 -1.01 0.00 0.00 66.70 64.77 1j8k h VAL 15 Cb 1.18 0.02 -0.40 0.00 -2.01 0.00 0.00 31.29 30.08 1j8k h VAL 15 CO 0.42 0.01 -1.14 0.47 -1.01 0.00 0.00 177.57 176.32 1j8k n ASP 16 N -4.72 1.63 0.00 3.17 8.00 -1.26 -3.94 116.55 119.42 1j8k n ASP 16 Ca 0.37 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.96 1j8k n ASP 16 Cb 1.43 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1j8k n SER 17 N 0.00 0.00 -4.39 -2.24 2.88 -0.63 -2.65 113.62 106.59 1j8k n SER 17 Ca 0.17 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.27 1j8k n SER 17 Cb 0.74 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.15 1j8k n SER 17 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1j8k s ILE 18 N 0.00 4.89 -0.44 2.46 -1.09 0.02 -1.54 121.20 125.51 1j8k s ILE 18 Ca 0.00 -0.88 -0.23 0.00 -2.23 0.00 0.00 60.65 57.31 1j8k s ILE 18 Cb 0.00 -4.40 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 1j8k s ILE 18 CO 0.00 -0.98 0.79 -0.54 -1.23 0.00 0.00 174.94 172.98 1j8k s LYS 19 N 2.54 3.47 0.18 2.79 1.02 -0.76 -2.26 119.74 126.71 1j8k s LYS 19 Ca 0.12 -0.03 0.11 0.00 0.02 0.00 0.00 55.97 56.18 1j8k s LYS 19 Cb -0.23 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1j8k s LYS 19 CO 0.08 -1.08 -0.21 0.96 -0.92 0.00 0.00 175.35 174.18 1j8k s ILE 20 N 3.27 2.54 -0.12 2.17 -4.36 -1.05 0.22 121.20 123.88 1j8k s ILE 20 Ca 0.30 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.78 1j8k s ILE 20 Cb -0.12 -2.22 0.03 0.00 1.25 0.00 0.00 42.46 41.40 1j8k s ILE 20 CO 0.22 -0.09 -0.06 0.00 0.24 0.00 0.00 174.94 175.25 1j8k s ALA 21 N -1.60 1.31 0.01 2.27 0.00 -0.65 -1.13 121.76 121.97 1j8k s ALA 21 Ca 0.21 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1j8k s ALA 21 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1j8k s ALA 21 CO 0.11 -0.53 0.17 1.67 0.00 0.00 0.00 175.76 177.18 1j8k s TRP 22 N 1.71 3.49 -0.18 0.00 -2.14 -0.81 0.63 118.94 121.64 1j8k s TRP 22 Ca 0.04 0.31 -0.41 0.00 2.66 0.00 0.00 56.10 58.69 1j8k s TRP 22 Cb -0.13 -1.80 -0.19 0.00 -3.10 0.00 0.00 33.47 28.26 1j8k s TRP 22 CO -0.08 0.62 1.40 -1.91 -2.66 0.00 0.00 176.95 174.32 1j8k n GLU 23 N 0.85 0.44 -0.67 3.25 2.13 -1.21 -4.80 120.64 120.62 1j8k n GLU 23 Ca -0.10 0.16 -0.32 0.00 0.66 0.00 0.00 57.16 57.56 1j8k n GLU 23 Cb 0.52 -1.72 0.18 0.00 0.27 0.00 0.00 31.44 30.69 1j8k n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1j8k n SER 24 N 3.15 -2.10 -4.65 4.31 3.41 -1.26 -4.69 113.62 111.79 1j8k n SER 24 Ca 0.24 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 1j8k n SER 24 Cb 0.07 -1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 62.91 1j8k n SER 24 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1j8k s PRO 25 N -3.69 4.14 0.03 4.33 0.04 -1.26 -4.83 135.00 133.76 1j8k s PRO 25 Ca 0.59 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.08 1j8k s PRO 25 Cb -0.17 -3.84 -0.13 0.00 0.04 0.00 0.00 34.50 30.40 1j8k s PRO 25 CO 0.66 -0.84 1.26 1.96 0.04 0.00 0.00 177.00 180.08 1j8k h GLN 26 N 8.80 -0.81 0.00 4.56 1.08 -1.89 -3.42 115.11 123.43 1j8k h GLN 26 Ca -0.29 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1j8k h GLN 26 Cb 1.12 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1j8k h GLN 26 CO 0.98 -0.54 0.00 0.41 -0.95 0.00 0.00 178.83 178.73 1j8k n GLY 27 N -1.16 1.05 2.89 3.46 0.00 -1.26 -5.01 105.19 105.15 1j8k n GLY 27 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1j8k n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j8k s GLN 28 N 0.00 0.34 0.20 1.61 1.11 -1.26 -5.13 119.66 116.53 1j8k s GLN 28 Ca 0.00 0.39 0.04 0.00 0.01 0.00 0.00 55.36 55.79 1j8k s GLN 28 Cb 0.00 -0.54 -0.03 0.00 -1.01 0.00 0.00 33.01 31.43 1j8k s GLN 28 CO 0.00 -0.73 0.33 0.08 0.01 0.00 0.00 175.29 174.97 1j8k s VAL 29 N 2.51 5.29 -0.03 1.09 1.01 -1.26 -5.01 120.40 123.99 1j8k s VAL 29 Ca 0.11 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1j8k s VAL 29 Cb -0.15 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1j8k s VAL 29 CO -0.19 -0.23 0.10 -0.24 0.00 0.00 0.00 175.10 174.55 1j8k n SER 30 N -1.04 3.39 -3.69 3.32 2.88 -1.26 -5.03 113.62 112.19 1j8k n SER 30 Ca -0.08 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.31 1j8k n SER 30 Cb 0.56 1.06 -0.08 0.00 -0.75 0.00 0.00 64.21 65.00 1j8k n SER 30 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j8k s ARG 31 N -2.36 0.75 -0.17 -1.46 0.52 -1.26 -4.44 118.95 110.53 1j8k s ARG 31 Ca -0.03 0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 1j8k s ARG 31 Cb 0.04 0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.87 1j8k s ARG 31 CO 0.28 -0.20 -0.20 0.71 0.02 0.00 0.00 175.30 175.92 1j8k s TYR 32 N -1.01 2.68 -0.47 -0.53 2.02 -1.26 -0.29 117.35 118.49 1j8k s TYR 32 Ca -0.10 -1.54 -0.29 0.00 -0.37 0.00 0.00 57.07 54.77 1j8k s TYR 32 Cb -0.03 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 1j8k s TYR 32 CO 0.05 -0.75 1.26 0.50 -1.57 0.00 0.00 175.55 175.04 1j8k s ARG 33 N 1.23 3.62 -0.60 -0.62 3.52 0.42 -4.62 118.95 121.90 1j8k s ARG 33 Ca 0.03 0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 56.26 1j8k s ARG 33 Cb -0.13 -3.98 0.16 0.00 -1.56 0.00 0.00 34.95 29.44 1j8k s ARG 33 CO -0.11 -1.52 0.42 0.08 -0.81 0.00 0.00 175.30 173.37 1j8k s VAL 34 N 4.97 3.74 0.17 7.11 1.01 -0.19 -0.78 120.40 136.43 1j8k s VAL 34 Ca 0.53 -2.82 0.08 0.00 0.00 0.00 0.00 61.98 59.77 1j8k s VAL 34 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1j8k s VAL 34 CO 0.31 -0.86 -0.07 0.42 0.00 0.00 0.00 175.10 174.90 1j8k s THR 35 N 0.10 3.35 0.04 3.92 -4.23 -0.93 0.95 115.64 118.84 1j8k s THR 35 Ca 0.16 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 1j8k s THR 35 Cb -0.20 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1j8k s THR 35 CO -0.04 -0.07 -0.19 -0.72 -0.54 0.00 0.00 174.62 173.06 1j8k s TYR 36 N -1.62 1.66 0.07 3.99 1.13 -0.95 0.97 117.35 122.59 1j8k s TYR 36 Ca 0.25 -0.36 0.09 0.00 -1.41 0.00 0.00 57.07 55.64 1j8k s TYR 36 Cb -0.09 -1.00 -0.03 0.00 -1.10 0.00 0.00 41.96 39.74 1j8k s TYR 36 CO 0.16 0.07 -0.24 -1.54 -2.51 0.00 0.00 175.55 171.48 1j8k s SER 37 N -1.08 2.90 -0.01 -0.18 1.04 -0.34 0.57 113.70 116.59 1j8k s SER 37 Ca 0.06 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.94 1j8k s SER 37 Cb -0.08 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 1j8k s SER 37 CO 0.01 0.19 -0.18 -0.44 0.98 0.00 0.00 173.24 173.80 1j8k s SER 38 N -1.46 2.14 -0.97 7.02 0.01 0.33 -2.53 113.70 118.23 1j8k s SER 38 Ca 0.10 -0.34 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 1j8k s SER 38 Cb -0.10 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.84 1j8k s SER 38 CO 0.03 0.22 2.16 -0.81 0.41 0.00 0.00 173.24 175.25 1j8k n PRO 39 N 2.59 2.18 0.00 12.44 -0.04 -1.26 -2.96 135.00 147.95 1j8k n PRO 39 Ca -0.15 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1j8k n PRO 39 Cb 0.54 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 4.49 0.00 0.06 0.54 1.02 -1.26 -4.96 120.64 120.53 1j8k n GLU 40 Ca 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.55 1j8k n GLU 40 Cb 0.17 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.69 1j8k n GLU 40 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1j8k h ASP 41 N 0.00 0.40 0.00 1.62 3.58 -2.01 -3.49 116.42 116.53 1j8k h ASP 41 Ca 0.00 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1j8k h ASP 41 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1j8k h ASP 41 CO 0.00 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 1j8k n GLY 42 N 0.25 0.29 3.08 -0.78 0.00 -1.16 -5.01 105.19 101.87 1j8k n GLY 42 Ca -0.03 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 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 0.12 0.54 -0.61 2.07 -1.26 0.12 121.20 122.18 1j8k s ILE 43 Ca 0.00 -1.00 0.01 0.00 -1.41 0.00 0.00 60.65 58.25 1j8k s ILE 43 Cb 0.00 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.93 1j8k s ILE 43 CO 0.00 -0.55 0.11 1.57 -1.91 0.00 0.00 174.94 174.15 1j8k n HIS 44 N 1.09 0.77 -3.84 3.50 -0.00 0.19 -4.95 115.22 111.98 1j8k n HIS 44 Ca -0.21 -2.54 -0.12 0.00 -0.00 0.00 0.00 57.72 54.85 1j8k n HIS 44 Cb 0.57 -0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.07 1j8k n HIS 44 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1j8k s GLU 45 N -4.00 0.25 -0.04 1.57 -1.05 -1.26 -2.25 118.70 111.92 1j8k s GLU 45 Ca 0.08 0.04 0.02 0.00 -0.15 0.00 0.00 54.97 54.96 1j8k s GLU 45 Cb -0.01 0.11 0.01 0.00 -0.44 0.00 0.00 34.13 33.81 1j8k s GLU 45 CO 0.05 -0.04 -0.08 -1.17 0.95 0.00 0.00 175.26 174.97 1j8k s LEU 46 N -0.31 1.61 -0.41 1.83 2.96 0.27 -4.94 118.68 119.68 1j8k s LEU 46 Ca -0.04 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 1j8k s LEU 46 Cb -0.03 -0.55 0.36 0.00 0.50 0.00 0.00 46.19 46.47 1j8k s LEU 46 CO 0.00 0.02 1.05 2.22 -1.32 0.00 0.00 176.35 178.32 1j8k n PHE 47 N 3.64 -1.57 -2.02 5.38 -1.74 -1.26 -1.02 117.46 118.87 1j8k n PHE 47 Ca -0.22 -2.59 -0.26 0.00 -0.56 0.00 0.00 57.45 53.83 1j8k n PHE 47 Cb 0.53 0.89 -0.06 0.00 1.52 0.00 0.00 39.48 42.35 1j8k n PHE 47 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1j8k s PRO 48 N -0.81 2.40 -0.30 3.97 0.04 -1.26 -4.84 135.00 134.20 1j8k s PRO 48 Ca 0.27 -0.75 -0.26 0.00 0.04 0.00 0.00 61.00 60.30 1j8k s PRO 48 Cb 0.35 -5.15 -0.11 0.00 0.04 0.00 0.00 34.50 29.63 1j8k s PRO 48 CO -0.06 -3.88 1.26 0.00 0.04 0.00 0.00 177.00 174.36 1j8k n ALA 49 N 14.72 0.08 -1.34 8.56 0.00 -1.26 -4.87 120.51 136.40 1j8k n ALA 49 Ca 0.43 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 1j8k n ALA 49 Cb 0.47 -1.23 0.22 0.00 0.00 0.00 0.00 19.45 18.90 1j8k n ALA 49 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j8k s PRO 50 N 3.47 -0.62 0.00 0.00 0.04 -1.26 -5.04 135.00 131.59 1j8k s PRO 50 Ca 0.71 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1j8k s PRO 50 Cb -0.89 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1j8k s PRO 50 CO 0.40 -3.30 0.00 -3.47 0.04 0.00 0.00 177.00 170.67 1j8k n ASP 51 N -4.45 0.70 0.00 6.66 -0.08 -1.26 -4.90 116.55 113.22 1j8k n ASP 51 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1j8k n ASP 51 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1j8k n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j8k n GLY 52 N 3.06 0.21 1.30 0.27 0.00 -1.26 -4.96 105.19 103.81 1j8k n GLY 52 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 2.91 -4.00 1.61 1.02 -1.26 -4.84 120.64 116.08 1j8k n GLU 53 Ca 0.00 -2.40 -0.30 0.00 -0.02 0.00 0.00 57.16 54.45 1j8k n GLU 53 Cb 0.00 -1.65 -0.17 0.00 -0.02 0.00 0.00 31.44 29.61 1j8k n GLU 53 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j8k s GLU 54 N -1.46 2.18 -0.01 3.49 2.02 -1.26 -4.97 118.70 118.70 1j8k s GLU 54 Ca 0.44 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1j8k s GLU 54 Cb 0.25 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.47 1j8k s GLU 54 CO 0.26 -0.24 0.91 -0.25 0.02 0.00 0.00 175.26 175.95 1j8k n ASP 55 N 4.80 1.58 -3.91 -0.19 8.00 -1.26 -4.82 116.55 120.75 1j8k n ASP 55 Ca -0.16 -1.88 -0.23 0.00 0.71 0.00 0.00 54.79 53.23 1j8k n ASP 55 Cb 0.50 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 1j8k n ASP 55 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j8k s THR 56 N -0.92 0.40 0.00 -3.53 -4.23 -1.26 -1.93 115.64 104.17 1j8k s THR 56 Ca 0.02 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1j8k s THR 56 Cb 0.02 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 1j8k s THR 56 CO 0.00 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.12 1j8k s ALA 57 N -3.34 -0.06 -0.74 3.99 0.00 -0.29 -4.98 121.76 116.33 1j8k s ALA 57 Ca 0.30 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1j8k s ALA 57 Cb 0.03 0.06 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1j8k s ALA 57 CO 0.18 -0.12 0.64 -2.00 0.00 0.00 0.00 175.76 174.46 1j8k s GLU 58 N -0.91 3.23 -1.34 0.00 2.12 -1.26 -2.51 118.70 118.02 1j8k s GLU 58 Ca -0.10 -2.43 -0.16 0.00 0.36 0.00 0.00 54.97 52.64 1j8k s GLU 58 Cb -0.06 -4.19 0.07 0.00 0.26 0.00 0.00 34.13 30.21 1j8k s GLU 58 CO -0.00 -1.25 1.86 1.28 -0.54 0.00 0.00 175.26 176.61 1j8k n LEU 59 N 3.90 5.58 -4.70 2.70 4.77 -0.96 -4.88 117.00 123.41 1j8k n LEU 59 Ca 0.10 -4.06 -0.36 0.00 -0.03 0.00 0.00 56.01 51.67 1j8k n LEU 59 Cb 0.44 -1.70 -0.08 0.00 -2.33 0.00 0.00 43.42 39.74 1j8k n LEU 59 CO 0.35 0.52 -0.15 -1.10 -1.33 0.00 0.00 177.39 175.67 1j8k s GLN 60 N 3.57 4.16 0.00 3.23 -0.21 -1.26 -0.80 119.66 128.34 1j8k s GLN 60 Ca 0.51 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.69 1j8k s GLN 60 Cb 0.07 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.61 1j8k s GLN 60 CO 0.02 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 1j8k n GLY 61 N 3.78 0.94 3.96 3.09 0.00 -1.08 -4.88 105.19 111.01 1j8k n GLY 61 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 2.78 0.24 0.99 1.43 -1.26 -5.03 118.68 117.83 1j8k s LEU 62 Ca 0.00 -1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 51.65 1j8k s LEU 62 Cb 0.00 -1.26 -0.11 0.00 0.03 0.00 0.00 46.19 44.84 1j8k s LEU 62 CO 0.00 -1.26 1.62 -0.60 0.23 0.00 0.00 176.35 176.33 1j8k s ARG 63 N -4.46 4.15 -0.29 1.70 6.06 -1.26 -4.63 118.95 120.23 1j8k s ARG 63 Ca 0.44 2.52 -0.29 0.00 -2.50 0.00 0.00 55.73 55.90 1j8k s ARG 63 Cb -0.04 -3.07 0.01 0.00 0.06 0.00 0.00 34.95 31.92 1j8k s ARG 63 CO 0.28 -0.64 1.06 -1.25 -2.50 0.00 0.00 175.30 172.24 1j8k s PRO 64 N 0.35 4.14 -0.21 5.12 0.04 -1.25 -4.18 135.00 139.00 1j8k s PRO 64 Ca 0.68 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1j8k s PRO 64 Cb -0.47 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1j8k s PRO 64 CO 0.39 -0.79 0.20 0.41 0.04 0.00 0.00 177.00 177.25 1j8k n GLY 65 N 3.67 -0.57 3.64 0.56 0.00 -1.14 -5.03 105.19 106.33 1j8k n GLY 65 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1j8k n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j8k s SER 66 N -2.28 -0.67 -0.76 1.61 0.01 -1.25 -4.94 113.70 105.42 1j8k s SER 66 Ca 0.00 1.10 -0.26 0.00 1.31 0.00 0.00 55.95 58.10 1j8k s SER 66 Cb -0.00 1.26 -0.01 0.00 0.21 0.00 0.00 66.02 67.47 1j8k s SER 66 CO 0.21 -0.17 1.77 -0.70 0.41 0.00 0.00 173.24 174.75 1j8k s GLU 67 N 1.33 2.78 0.02 12.44 2.12 -1.26 -2.42 118.70 133.71 1j8k s GLU 67 Ca -0.08 0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.01 1j8k s GLU 67 Cb -0.04 -4.65 -0.04 0.00 0.26 0.00 0.00 34.13 29.65 1j8k s GLU 67 CO -0.16 -2.80 0.93 -0.47 -0.54 0.00 0.00 175.26 172.22 1j8k s TYR 68 N 8.52 3.69 -1.08 5.30 5.04 -0.72 -4.81 117.35 133.28 1j8k s TYR 68 Ca 0.61 1.65 -0.14 0.00 -2.44 0.00 0.00 57.07 56.75 1j8k s TYR 68 Cb -0.09 -3.05 0.19 0.00 0.35 0.00 0.00 41.96 39.37 1j8k s TYR 68 CO 0.10 0.07 1.22 0.99 -1.34 0.00 0.00 175.55 176.59 1j8k s THR 69 N 0.69 5.25 0.39 4.34 2.01 -1.05 -2.53 115.64 124.75 1j8k s THR 69 Ca 0.48 -2.56 -0.23 0.00 0.31 0.00 0.00 61.69 59.68 1j8k s THR 69 Cb -0.21 -4.76 -0.10 0.00 0.01 0.00 0.00 72.50 67.44 1j8k s THR 69 CO 0.27 -1.43 0.98 -0.69 -0.69 0.00 0.00 174.62 173.06 1j8k s VAL 70 N 1.02 4.11 -0.19 3.82 1.01 -0.79 -1.19 120.40 128.18 1j8k s VAL 70 Ca 0.35 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.86 1j8k s VAL 70 Cb -0.06 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1j8k s VAL 70 CO -0.05 -0.08 -0.11 -0.55 0.00 0.00 0.00 175.10 174.31 1j8k s SER 71 N -1.83 3.34 -0.24 3.32 0.15 0.27 0.27 113.70 118.99 1j8k s SER 71 Ca 0.58 -0.85 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 1j8k s SER 71 Cb -0.16 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 1j8k s SER 71 CO 0.21 -0.13 0.24 -0.69 1.20 0.00 0.00 173.24 174.07 1j8k s VAL 72 N 1.39 5.30 -0.01 4.45 1.01 0.21 -2.19 120.40 130.56 1j8k s VAL 72 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1j8k s VAL 72 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1j8k s VAL 72 CO -0.09 0.30 0.00 -0.69 0.00 0.00 0.00 175.10 174.63 1j8k s VAL 73 N 1.26 0.01 0.62 2.92 1.01 0.04 0.12 120.40 126.38 1j8k s VAL 73 Ca 0.11 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1j8k s VAL 73 Cb -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1j8k s VAL 73 CO 0.06 0.03 1.01 0.00 0.00 0.00 0.00 175.10 176.21 1j8k s ALA 74 N 0.29 3.10 0.00 5.51 0.00 -1.26 0.16 121.76 129.57 1j8k s ALA 74 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1j8k s ALA 74 Cb -0.04 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1j8k s ALA 74 CO -0.01 -0.72 0.00 1.28 0.00 0.00 0.00 175.76 176.31 1j8k n LEU 75 N -2.74 0.00 0.00 0.00 4.77 0.60 -3.66 117.00 115.98 1j8k n LEU 75 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1j8k n LEU 75 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1j8k n LEU 75 CO 0.57 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.20 1j8k n HIS 76 N 0.00 0.00 0.00 -1.77 -0.00 -1.26 -4.18 115.22 108.01 1j8k n HIS 76 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1j8k n HIS 76 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1j8k n HIS 76 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1j8k n ASP 77 N 0.00 0.00 -2.67 0.26 2.03 -1.26 -4.41 116.55 110.50 1j8k n ASP 77 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1j8k n ASP 77 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1j8k n ASP 77 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1j8k n ASP 78 N 1.16 -1.33 -3.91 1.67 8.00 -1.26 -5.15 116.55 115.73 1j8k n ASP 78 Ca 0.00 -1.98 -0.12 0.00 0.71 0.00 0.00 54.79 53.41 1j8k n ASP 78 Cb 0.00 1.15 -0.13 0.00 -0.02 0.00 0.00 41.12 42.12 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1j8k s MET 79 N 0.07 0.13 -0.71 -1.24 -1.94 -1.26 -5.08 119.30 109.26 1j8k s MET 79 Ca 0.14 -0.19 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 1j8k s MET 79 Cb 0.22 -0.02 0.23 0.00 2.01 0.00 0.00 34.83 37.27 1j8k s MET 79 CO -0.11 -0.00 0.73 0.39 -0.01 0.00 0.00 175.02 176.01 1j8k n GLU 80 N 2.64 2.47 -0.53 2.03 4.71 -1.26 -4.35 120.64 126.35 1j8k n GLU 80 Ca -0.15 -4.60 -0.29 0.00 -0.01 0.00 0.00 57.16 52.10 1j8k n GLU 80 Cb 0.58 -2.30 0.22 0.00 -1.01 0.00 0.00 31.44 28.93 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 1.31 -2.49 -4.67 1.62 3.41 -1.24 -4.75 113.62 106.82 1j8k n SER 81 Ca 0.26 -0.27 -0.51 0.00 -0.26 0.00 0.00 58.87 58.09 1j8k n SER 81 Cb 0.38 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 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 -3.48 1.66 -2.44 4.33 3.00 -1.26 -4.73 117.38 114.45 1j8k n GLN 82 Ca 0.03 0.60 -0.39 0.00 -0.01 0.00 0.00 57.00 57.23 1j8k n GLN 82 Cb 0.57 -2.34 -0.04 0.00 0.00 0.00 0.00 30.24 28.43 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 2.56 4.42 -0.38 -1.09 0.04 -1.26 -4.67 135.00 134.61 1j8k s PRO 83 Ca 0.90 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.72 1j8k s PRO 83 Cb -0.86 -2.95 0.11 0.00 0.04 0.00 0.00 34.50 30.84 1j8k s PRO 83 CO 0.52 0.02 0.13 -1.17 0.04 0.00 0.00 177.00 176.54 1j8k s LEU 84 N -1.91 4.94 0.59 -3.56 2.96 0.12 -4.95 118.68 116.87 1j8k s LEU 84 Ca 0.50 -2.17 -0.20 0.00 -0.22 0.00 0.00 54.13 52.04 1j8k s LEU 84 Cb -0.30 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1j8k s LEU 84 CO 0.38 -0.43 1.29 -0.38 -1.32 0.00 0.00 176.35 175.88 1j8k n ILE 85 N 4.30 4.30 -3.37 6.68 2.08 -1.26 -0.62 119.36 131.47 1j8k n ILE 85 Ca 0.02 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.57 1j8k n ILE 85 Cb 0.41 -1.53 -0.10 0.00 -0.75 0.00 0.00 39.64 37.67 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 -1.14 1.09 0.20 7.39 0.00 0.77 -4.81 107.32 110.82 1j8k s GLY 86 Ca 0.77 -2.35 -0.19 0.00 0.00 0.00 0.00 44.72 42.95 1j8k s GLY 86 CO 0.45 2.18 0.70 -1.59 0.00 0.00 0.00 173.10 174.84 1j8k s THR 87 N 0.14 4.60 -0.22 0.90 2.01 -1.26 -1.89 115.64 119.93 1j8k s THR 87 Ca 0.32 1.24 -0.27 0.00 0.31 0.00 0.00 61.69 63.29 1j8k s THR 87 Cb 0.02 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.76 1j8k s THR 87 CO -0.18 0.24 0.76 -1.10 -0.69 0.00 0.00 174.62 173.65 1j8k s GLN 88 N -1.90 0.84 -0.63 4.92 -1.52 -1.05 -4.97 119.66 115.36 1j8k s GLN 88 Ca 0.41 0.75 -0.24 0.00 -1.95 0.00 0.00 55.36 54.34 1j8k s GLN 88 Cb -0.17 0.40 0.05 0.00 -0.22 0.00 0.00 33.01 33.08 1j8k s GLN 88 CO 0.21 -0.15 1.00 -1.12 -0.25 0.00 0.00 175.29 174.97 1j8k s SER 89 N -0.05 6.23 0.09 5.90 0.01 -1.26 -1.76 113.70 122.86 1j8k s SER 89 Ca -0.02 -0.69 -0.36 0.00 1.31 0.00 0.00 55.95 56.19 1j8k s SER 89 Cb -0.04 -2.44 -0.16 0.00 0.21 0.00 0.00 66.02 63.59 1j8k s SER 89 CO 0.02 -1.41 1.38 0.41 0.41 0.00 0.00 173.24 174.05 1j8k n THR 90 N 6.08 0.00 -0.14 1.44 -1.04 -1.02 -4.85 114.28 114.76 1j8k n THR 90 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1j8k n THR 90 Cb 0.47 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1j8k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8k n ALA 91 N 2.70 0.00 -2.68 2.41 0.00 -1.26 -3.54 120.51 118.14 1j8k n ALA 91 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1j8k n ALA 91 Cb 0.21 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.70 1j8k n ALA 91 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1j8k n ILE 92 N -2.61 0.71 -0.80 0.00 -0.00 -1.26 -2.88 119.36 112.52 1j8k n ILE 92 Ca 0.00 -2.03 -0.19 0.00 -0.00 0.00 0.00 62.75 60.53 1j8k n ILE 92 Cb 0.00 1.15 -0.06 0.00 -0.00 0.00 0.00 39.64 40.73 1j8k n ILE 92 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1j8k n PRO 93 N -0.33 2.05 0.00 6.28 -0.04 -1.26 -4.99 135.00 136.71 1j8k n PRO 93 Ca 0.03 -1.27 0.13 0.00 -0.04 0.00 0.00 63.50 62.34 1j8k n PRO 93 Cb 0.91 -2.27 0.28 0.00 -0.04 0.00 0.00 33.50 32.38 1j8k n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46