#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8k s ILE 2 N 0.00 2.41 0.30 1.53 2.07 -1.26 -5.02 121.20 121.23 1j8k s ILE 2 Ca 0.00 -1.55 0.11 0.00 -1.41 0.00 0.00 60.65 57.80 1j8k s ILE 2 Cb 0.00 -2.96 0.02 0.00 0.13 0.00 0.00 42.46 39.65 1j8k s ILE 2 CO 0.00 0.00 1.69 0.44 -1.91 0.00 0.00 174.94 175.16 1j8k h ASP 3 N 1.24 0.00 -4.53 4.50 3.32 -1.97 -3.49 116.42 115.49 1j8k h ASP 3 Ca -0.42 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.64 1j8k h ASP 3 Cb 1.26 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.73 1j8k h ASP 3 CO 0.65 0.52 -1.17 0.54 -1.72 0.00 0.00 179.24 178.06 1j8k n ARG 4 N -3.90 -3.84 -0.39 3.56 1.74 -1.26 -5.01 116.66 107.56 1j8k n ARG 4 Ca -0.01 2.96 -0.10 0.00 -0.77 0.00 0.00 57.85 59.92 1j8k n ARG 4 Cb 0.54 -4.18 0.09 0.00 -1.02 0.00 0.00 32.46 27.89 1j8k n ARG 4 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1j8k n PRO 5 N 1.40 -1.63 0.00 5.56 -0.04 -1.26 -4.99 135.00 134.04 1j8k n PRO 5 Ca -0.26 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1j8k n PRO 5 Cb 0.40 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 1j8k n PRO 5 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j8k n LYS 6 N -2.60 0.00 -3.90 0.54 3.00 -1.26 -5.00 118.16 108.95 1j8k n LYS 6 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.02 1j8k n LYS 6 Cb 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.10 1j8k n LYS 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1j8k s GLY 7 N 0.00 1.82 -0.04 3.14 0.00 -1.26 -5.04 107.32 105.94 1j8k s GLY 7 Ca 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 44.72 42.65 1j8k s GLY 7 CO 0.00 0.79 0.19 -2.27 0.00 0.00 0.00 173.10 171.81 1j8k s LEU 8 N 1.18 4.38 0.46 0.66 2.96 -1.26 -1.61 118.68 125.45 1j8k s LEU 8 Ca -0.01 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1j8k s LEU 8 Cb -0.20 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1j8k s LEU 8 CO -0.03 0.30 0.06 0.00 -1.32 0.00 0.00 176.35 175.37 1j8k s ALA 9 N -1.24 3.56 -0.12 5.97 0.00 0.11 -4.98 121.76 125.07 1j8k s ALA 9 Ca 0.24 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1j8k s ALA 9 Cb -0.13 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.40 1j8k s ALA 9 CO 0.14 -0.17 0.03 -0.06 0.00 0.00 0.00 175.76 175.70 1j8k s PHE 10 N -3.02 0.65 0.00 0.00 0.08 -1.26 -2.45 117.98 111.97 1j8k s PHE 10 Ca 0.14 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1j8k s PHE 10 Cb 0.02 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 1j8k s PHE 10 CO 0.08 -0.42 0.14 2.41 -0.10 0.00 0.00 175.22 177.33 1j8k n THR 11 N 5.15 0.00 -3.67 0.64 -1.04 0.03 -4.90 114.28 110.50 1j8k n THR 11 Ca -0.07 0.64 -0.22 0.00 -2.04 0.00 0.00 64.05 62.36 1j8k n THR 11 Cb 0.49 -1.64 -0.18 0.00 -1.82 0.00 0.00 70.33 67.19 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 -2.86 1.53 -0.06 8.00 -1.08 -1.14 -4.99 116.67 116.08 1j8k s ASP 12 Ca 0.00 -0.13 -0.17 0.00 -0.52 0.00 0.00 52.55 51.73 1j8k s ASP 12 Cb 0.00 -0.21 -0.05 0.00 -1.46 0.00 0.00 42.92 41.20 1j8k s ASP 12 CO 0.00 -0.27 0.46 0.54 0.52 0.00 0.00 175.17 176.42 1j8k s VAL 13 N 2.13 5.09 -0.01 1.11 0.11 -1.26 -0.52 120.40 127.04 1j8k s VAL 13 Ca 0.04 0.94 -0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1j8k s VAL 13 Cb -0.13 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 30.95 1j8k s VAL 13 CO -0.05 0.43 0.02 -0.62 -3.33 0.00 0.00 175.10 171.56 1j8k s ASP 14 N -0.11 0.05 0.56 3.54 2.15 0.20 -4.79 116.67 118.27 1j8k s ASP 14 Ca 0.25 0.03 0.47 0.00 0.43 0.00 0.00 52.55 53.73 1j8k s ASP 14 Cb -0.16 -0.05 1.66 0.00 -0.30 0.00 0.00 42.92 44.07 1j8k s ASP 14 CO 0.12 -0.09 1.59 1.62 -0.17 0.00 0.00 175.17 178.25 1j8k h VAL 15 N 5.93 0.07 -0.36 1.11 3.04 -1.83 0.47 116.25 124.68 1j8k h VAL 15 Ca -0.39 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.02 1j8k h VAL 15 Cb 1.15 0.07 -0.33 0.00 -2.01 0.00 0.00 31.29 30.17 1j8k h VAL 15 CO 0.49 0.00 -0.89 -0.90 -1.01 0.00 0.00 177.57 175.26 1j8k n ASP 16 N -3.92 2.53 0.00 3.17 5.68 -1.26 -3.91 116.55 118.84 1j8k n ASP 16 Ca 0.40 -2.92 0.00 0.00 -0.50 0.00 0.00 54.79 51.77 1j8k n ASP 16 Cb 1.86 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 41.43 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1j8k n SER 17 N -0.53 0.00 -4.29 -1.12 2.88 0.17 -2.62 113.62 108.12 1j8k n SER 17 Ca 0.21 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.38 1j8k n SER 17 Cb 0.90 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.23 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 3.57 -0.41 2.46 -1.09 0.73 0.62 121.20 127.07 1j8k s ILE 18 Ca 0.00 -0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 1j8k s ILE 18 Cb 0.00 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 1j8k s ILE 18 CO 0.00 0.09 0.49 -0.54 -1.23 0.00 0.00 174.94 173.75 1j8k s LYS 19 N 1.43 3.26 0.11 2.79 1.02 0.33 -2.30 119.74 126.37 1j8k s LYS 19 Ca 0.01 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.53 1j8k s LYS 19 Cb -0.17 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.17 1j8k s LYS 19 CO 0.00 -0.83 -0.17 0.96 -0.92 0.00 0.00 175.35 174.40 1j8k s ILE 20 N 2.32 2.93 -0.13 2.17 -4.36 -1.06 -0.79 121.20 122.28 1j8k s ILE 20 Ca 0.15 -1.43 -0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1j8k s ILE 20 Cb -0.16 -2.33 0.03 0.00 1.25 0.00 0.00 42.46 41.24 1j8k s ILE 20 CO 0.15 0.13 -0.08 0.00 0.24 0.00 0.00 174.94 175.37 1j8k s ALA 21 N -1.13 1.46 0.09 2.27 0.00 -1.03 -0.07 121.76 123.35 1j8k s ALA 21 Ca 0.18 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1j8k s ALA 21 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1j8k s ALA 21 CO 0.10 -0.49 0.23 1.67 0.00 0.00 0.00 175.76 177.27 1j8k s TRP 22 N 1.65 3.49 -0.47 0.00 -2.14 -0.78 0.09 118.94 120.78 1j8k s TRP 22 Ca 0.04 0.19 -0.45 0.00 2.66 0.00 0.00 56.10 58.54 1j8k s TRP 22 Cb -0.13 -1.72 -0.19 0.00 -3.10 0.00 0.00 33.47 28.33 1j8k s TRP 22 CO -0.09 0.56 1.84 -1.91 -2.66 0.00 0.00 176.95 174.70 1j8k n GLU 23 N -0.01 0.16 -1.01 3.25 0.00 -0.63 -4.83 120.64 117.57 1j8k n GLU 23 Ca -0.06 0.05 -0.34 0.00 0.00 0.00 0.00 57.16 56.82 1j8k n GLU 23 Cb 0.52 -1.61 0.11 0.00 0.00 0.00 0.00 31.44 30.47 1j8k n GLU 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1j8k n SER 24 N 5.73 -0.67 -2.61 4.31 3.41 -1.26 -4.87 113.62 117.66 1j8k n SER 24 Ca 0.40 0.49 -0.06 0.00 -0.26 0.00 0.00 58.87 59.44 1j8k n SER 24 Cb -0.02 -1.33 0.05 0.00 -0.26 0.00 0.00 64.21 62.65 1j8k n SER 24 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1j8k n PRO 25 N -2.13 -1.08 0.01 4.33 -0.04 -1.26 -5.00 135.00 129.83 1j8k n PRO 25 Ca 0.10 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1j8k n PRO 25 Cb 0.51 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 1j8k n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1j8k n GLN 26 N -1.97 0.00 0.00 0.54 1.13 -1.26 -5.05 117.38 110.77 1j8k n GLN 26 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1j8k n GLN 26 Cb 0.11 -0.30 0.00 0.00 0.11 0.00 0.00 30.24 30.16 1j8k n GLN 26 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j8k n GLY 27 N 2.42 0.27 2.91 1.08 0.00 -1.26 -5.06 105.19 105.54 1j8k n GLY 27 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1j8k n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j8k s GLN 28 N 0.69 0.37 0.51 1.61 2.00 -1.26 -5.15 119.66 118.43 1j8k s GLN 28 Ca 0.00 0.39 -0.07 0.00 -2.00 0.00 0.00 55.36 53.68 1j8k s GLN 28 Cb 0.00 -0.43 -0.04 0.00 0.80 0.00 0.00 33.01 33.34 1j8k s GLN 28 CO 0.00 -0.77 0.85 0.54 -0.50 0.00 0.00 175.29 175.41 1j8k s VAL 29 N 2.54 4.85 -0.09 1.34 0.11 -1.26 -5.01 120.40 122.87 1j8k s VAL 29 Ca 0.12 0.42 -0.20 0.00 -2.93 0.00 0.00 61.98 59.38 1j8k s VAL 29 Cb -0.15 -3.85 -0.28 0.00 -1.53 0.00 0.00 36.38 30.57 1j8k s VAL 29 CO -0.21 -0.90 0.70 -1.28 -3.33 0.00 0.00 175.10 170.09 1j8k h SER 30 N 0.18 0.36 -4.84 3.54 0.87 -1.72 -3.49 113.55 108.44 1j8k h SER 30 Ca -0.46 -0.89 0.09 0.00 -1.23 0.00 0.00 61.79 59.30 1j8k h SER 30 Cb 1.20 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 62.91 1j8k h SER 30 CO 0.62 1.46 0.42 -0.60 -0.53 0.00 0.00 176.83 178.20 1j8k s ARG 31 N -2.42 1.02 -0.32 2.24 6.06 -1.25 -4.98 118.95 119.29 1j8k s ARG 31 Ca -0.18 -0.42 0.01 0.00 -2.50 0.00 0.00 55.73 52.64 1j8k s ARG 31 Cb 0.02 0.44 0.08 0.00 0.06 0.00 0.00 34.95 35.54 1j8k s ARG 31 CO 0.78 -0.45 0.02 0.71 -2.50 0.00 0.00 175.30 173.86 1j8k s TYR 32 N -3.31 3.46 -0.58 5.12 1.51 -1.26 0.87 117.35 123.17 1j8k s TYR 32 Ca 0.06 -2.40 -0.28 0.00 -1.01 0.00 0.00 57.07 53.44 1j8k s TYR 32 Cb -0.01 -2.49 0.01 0.00 -0.11 0.00 0.00 41.96 39.36 1j8k s TYR 32 CO -0.07 -0.89 1.45 0.50 -1.11 0.00 0.00 175.55 175.43 1j8k s ARG 33 N 1.10 3.23 -0.29 -0.62 3.52 0.41 -4.51 118.95 121.79 1j8k s ARG 33 Ca 0.01 0.43 -0.17 0.00 -0.13 0.00 0.00 55.73 55.86 1j8k s ARG 33 Cb -0.20 -4.16 -0.02 0.00 -1.56 0.00 0.00 34.95 29.01 1j8k s ARG 33 CO -0.05 -2.03 0.48 0.08 -0.81 0.00 0.00 175.30 172.98 1j8k s VAL 34 N 6.34 5.08 0.04 7.11 1.01 -0.69 -1.92 120.40 137.36 1j8k s VAL 34 Ca 0.53 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1j8k s VAL 34 Cb -0.11 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1j8k s VAL 34 CO 0.24 0.01 -0.13 0.42 0.00 0.00 0.00 175.10 175.64 1j8k s THR 35 N 2.29 1.02 0.01 3.92 -4.23 -0.78 0.10 115.64 117.97 1j8k s THR 35 Ca 0.19 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 1j8k s THR 35 Cb -0.16 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 1j8k s THR 35 CO 0.11 -0.06 -0.09 -0.72 -0.54 0.00 0.00 174.62 173.31 1j8k s TYR 36 N -0.93 0.83 0.16 3.99 1.13 -0.97 0.13 117.35 121.70 1j8k s TYR 36 Ca -0.00 -0.23 0.07 0.00 -1.41 0.00 0.00 57.07 55.50 1j8k s TYR 36 Cb -0.08 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.22 1j8k s TYR 36 CO 0.01 -0.01 -0.14 -1.12 -2.51 0.00 0.00 175.55 171.78 1j8k s SER 37 N -0.55 2.26 -0.12 -0.18 0.01 0.31 0.43 113.70 115.87 1j8k s SER 37 Ca 0.01 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.35 1j8k s SER 37 Cb -0.05 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1j8k s SER 37 CO 0.00 -0.18 -0.16 -0.55 0.41 0.00 0.00 173.24 172.77 1j8k s SER 38 N -2.95 2.54 -0.81 2.44 0.15 0.45 -2.16 113.70 113.36 1j8k s SER 38 Ca 0.16 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 1j8k s SER 38 Cb -0.02 -1.14 -0.08 0.00 -1.71 0.00 0.00 66.02 63.07 1j8k s SER 38 CO 0.04 0.01 2.27 -0.81 1.20 0.00 0.00 173.24 175.95 1j8k n PRO 39 N 4.26 2.09 0.00 5.44 -0.04 -1.26 -2.28 135.00 143.21 1j8k n PRO 39 Ca -0.19 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1j8k n PRO 39 Cb 0.51 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1j8k n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1j8k n GLU 40 N 3.84 0.00 -0.11 0.54 0.28 -1.26 -4.97 120.64 118.96 1j8k n GLU 40 Ca 0.45 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.31 1j8k n GLU 40 Cb 0.23 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.96 1j8k n GLU 40 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1j8k n ASP 41 N -1.25 1.02 0.00 -1.84 -0.08 -1.21 -5.11 116.55 108.08 1j8k n ASP 41 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1j8k n ASP 41 Cb 0.00 0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1j8k n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j8k n GLY 42 N 1.99 0.52 3.16 0.27 0.00 -0.97 -5.02 105.19 105.14 1j8k n GLY 42 Ca -0.39 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.00 0.50 0.43 -0.61 2.07 -1.26 0.17 121.20 118.49 1j8k s ILE 43 Ca 0.00 -1.90 0.04 0.00 -1.41 0.00 0.00 60.65 57.37 1j8k s ILE 43 Cb 0.00 -1.74 -0.02 0.00 0.13 0.00 0.00 42.46 40.83 1j8k s ILE 43 CO 0.00 -0.81 0.12 -1.00 -1.91 0.00 0.00 174.94 171.34 1j8k s HIS 44 N -3.75 1.79 0.22 3.50 3.76 0.17 -4.96 115.29 116.02 1j8k s HIS 44 Ca 0.13 -1.26 -0.10 0.00 -0.15 0.00 0.00 55.06 53.68 1j8k s HIS 44 Cb 0.06 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 1j8k s HIS 44 CO -0.04 -0.25 0.39 -1.83 -0.85 0.00 0.00 174.74 172.16 1j8k s GLU 45 N -3.71 1.41 0.10 1.40 1.03 -1.26 -2.28 118.70 115.38 1j8k s GLU 45 Ca 0.21 -1.28 -0.23 0.00 0.03 0.00 0.00 54.97 53.69 1j8k s GLU 45 Cb 0.02 0.42 0.06 0.00 -0.80 0.00 0.00 34.13 33.84 1j8k s GLU 45 CO 0.13 -0.56 0.58 -1.17 -1.33 0.00 0.00 175.26 172.91 1j8k s LEU 46 N -3.03 -0.38 -0.36 1.83 2.96 0.29 -4.92 118.68 115.07 1j8k s LEU 46 Ca 0.24 0.13 0.14 0.00 -0.22 0.00 0.00 54.13 54.41 1j8k s LEU 46 Cb 0.01 2.41 0.40 0.00 0.50 0.00 0.00 46.19 49.51 1j8k s LEU 46 CO 0.07 -0.84 0.85 0.33 -1.32 0.00 0.00 176.35 175.44 1j8k n PHE 47 N 0.02 0.84 -2.11 5.38 7.35 -1.26 -1.71 117.46 125.98 1j8k n PHE 47 Ca -0.18 -3.34 -0.42 0.00 -0.76 0.00 0.00 57.45 52.75 1j8k n PHE 47 Cb 0.62 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 40.06 1j8k n PHE 47 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1j8k n PRO 48 N 0.09 3.16 -1.38 -7.13 -0.04 -1.26 -4.98 135.00 123.46 1j8k n PRO 48 Ca 0.18 -3.05 -0.45 0.00 -0.04 0.00 0.00 63.50 60.14 1j8k n PRO 48 Cb 0.72 -3.19 -0.02 0.00 -0.04 0.00 0.00 33.50 30.98 1j8k n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8k n ALA 49 N 5.69 -2.60 -1.07 0.55 0.00 -1.26 -4.93 120.51 116.90 1j8k n ALA 49 Ca 0.47 0.29 -0.04 0.00 0.00 0.00 0.00 53.44 54.16 1j8k n ALA 49 Cb 0.39 -1.61 0.04 0.00 0.00 0.00 0.00 19.45 18.28 1j8k n ALA 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j8k n PRO 50 N 1.05 -0.93 0.00 0.00 -0.04 -1.26 -5.04 135.00 128.79 1j8k n PRO 50 Ca 0.14 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1j8k n PRO 50 Cb 0.32 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1j8k n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j8k n ASP 51 N -3.26 0.04 0.00 3.54 -0.08 -1.26 -5.05 116.55 110.48 1j8k n ASP 51 Ca 0.03 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1j8k n ASP 51 Cb 0.10 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.55 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 2.86 0.19 0.10 0.27 0.00 -1.26 -4.97 105.19 102.38 1j8k n GLY 52 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.51 -3.25 1.61 -0.58 -1.26 -4.94 120.64 113.73 1j8k n GLU 53 Ca 0.00 -1.95 -0.05 0.00 -0.42 0.00 0.00 57.16 54.75 1j8k n GLU 53 Cb 0.00 -1.17 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 1j8k n GLU 53 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1j8k s GLU 54 N -1.81 0.49 -0.33 3.49 2.02 -1.26 -5.01 118.70 116.30 1j8k s GLU 54 Ca 0.17 0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.36 1j8k s GLU 54 Cb 0.15 -0.13 0.40 0.00 0.10 0.00 0.00 34.13 34.65 1j8k s GLU 54 CO 0.02 -1.06 1.72 -0.25 0.02 0.00 0.00 175.26 175.70 1j8k n ASP 55 N 5.27 4.42 -4.79 -0.19 8.00 -1.26 -4.46 116.55 123.53 1j8k n ASP 55 Ca 0.03 -3.12 -0.30 0.00 0.71 0.00 0.00 54.79 52.11 1j8k n ASP 55 Cb 0.51 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.43 1.40 0.04 -3.53 -4.23 -1.25 -1.87 115.64 103.76 1j8k s THR 56 Ca 0.39 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1j8k s THR 56 Cb 0.32 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 1j8k s THR 56 CO 0.05 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 174.02 1j8k s ALA 57 N -2.83 0.92 -1.04 3.99 0.00 0.89 -4.93 121.76 118.77 1j8k s ALA 57 Ca 0.17 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 1j8k s ALA 57 Cb 0.01 -0.10 0.26 0.00 0.00 0.00 0.00 23.12 23.29 1j8k s ALA 57 CO 0.10 0.13 1.02 -1.91 0.00 0.00 0.00 175.76 175.10 1j8k n GLU 58 N 1.81 3.28 -2.64 0.00 4.07 -1.26 -2.57 120.64 123.33 1j8k n GLU 58 Ca -0.19 -4.48 -0.42 0.00 -0.06 0.00 0.00 57.16 52.02 1j8k n GLU 58 Cb 0.55 -2.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.40 1j8k n GLU 58 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1j8k s LEU 59 N -1.43 3.79 -0.19 4.31 1.43 -0.97 -4.90 118.68 120.71 1j8k s LEU 59 Ca 0.30 -1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 51.90 1j8k s LEU 59 Cb -0.08 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1j8k s LEU 59 CO -0.09 -1.46 -0.00 -1.10 0.23 0.00 0.00 176.35 173.94 1j8k s GLN 60 N 4.59 3.67 0.00 1.70 -0.21 -1.26 -0.20 119.66 127.95 1j8k s GLN 60 Ca 0.42 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.30 1j8k s GLN 60 Cb -0.02 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.93 1j8k s GLN 60 CO -0.07 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 1j8k n GLY 61 N 4.02 0.67 0.33 3.09 0.00 -1.08 -4.90 105.19 107.32 1j8k n GLY 61 Ca -0.17 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 1j8k n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8k n LEU 62 N 0.00 0.00 -4.81 0.99 4.77 -1.25 -5.01 117.00 111.68 1j8k n LEU 62 Ca 0.00 -0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.36 1j8k n LEU 62 Cb 0.00 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1j8k n LEU 62 CO 0.00 -0.21 0.41 -0.13 -1.33 0.00 0.00 177.39 176.13 1j8k s ARG 63 N -2.18 4.27 -0.55 3.23 1.81 -1.26 -4.69 118.95 119.57 1j8k s ARG 63 Ca 0.02 0.88 -0.28 0.00 -1.72 0.00 0.00 55.73 54.62 1j8k s ARG 63 Cb -0.00 -2.92 0.03 0.00 -0.45 0.00 0.00 34.95 31.61 1j8k s ARG 63 CO 0.01 0.42 1.19 -1.25 -0.68 0.00 0.00 175.30 174.98 1j8k s PRO 64 N -1.88 3.56 -0.05 3.54 0.04 -1.26 -4.17 135.00 134.79 1j8k s PRO 64 Ca 0.42 0.33 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1j8k s PRO 64 Cb -0.17 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1j8k s PRO 64 CO 0.21 -1.62 0.05 0.41 0.04 0.00 0.00 177.00 176.10 1j8k n GLY 65 N 5.01 -0.49 3.54 0.56 0.00 0.08 -4.94 105.19 108.97 1j8k n GLY 65 Ca 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.77 -0.87 -0.83 1.61 0.01 -1.23 -4.89 113.70 105.72 1j8k s SER 66 Ca 0.01 1.39 -0.23 0.00 1.31 0.00 0.00 55.95 58.42 1j8k s SER 66 Cb -0.00 1.68 -0.17 0.00 0.21 0.00 0.00 66.02 67.73 1j8k s SER 66 CO 0.05 -0.23 2.35 1.21 0.41 0.00 0.00 173.24 177.04 1j8k n GLU 67 N 4.93 0.45 -2.20 12.44 2.13 -1.26 -2.55 120.64 134.57 1j8k n GLU 67 Ca -0.15 -0.78 -0.43 0.00 0.66 0.00 0.00 57.16 56.46 1j8k n GLU 67 Cb 0.53 -3.32 -0.02 0.00 0.27 0.00 0.00 31.44 28.90 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 12.86 2.17 -0.72 4.31 5.04 -0.87 -4.79 117.35 135.34 1j8k s TYR 68 Ca 0.97 0.65 -0.22 0.00 -2.44 0.00 0.00 57.07 56.02 1j8k s TYR 68 Cb -0.22 -4.21 0.08 0.00 0.35 0.00 0.00 41.96 37.95 1j8k s TYR 68 CO 0.15 -2.41 1.03 0.95 -1.34 0.00 0.00 175.55 173.94 1j8k s THR 69 N 5.91 4.33 0.08 4.34 -4.23 -0.92 -2.51 115.64 122.65 1j8k s THR 69 Ca 0.69 -0.52 -0.05 0.00 -1.18 0.00 0.00 61.69 60.63 1j8k s THR 69 Cb -0.18 -4.73 -0.05 0.00 1.34 0.00 0.00 72.50 68.88 1j8k s THR 69 CO 0.33 -1.51 0.32 -0.69 -0.54 0.00 0.00 174.62 172.52 1j8k s VAL 70 N 3.99 5.24 -0.13 2.29 1.01 -1.08 0.12 120.40 131.84 1j8k s VAL 70 Ca 0.26 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 1j8k s VAL 70 Cb -0.14 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1j8k s VAL 70 CO 0.06 0.17 -0.09 -0.44 0.00 0.00 0.00 175.10 174.81 1j8k s SER 71 N -2.17 2.43 -0.14 3.32 0.01 0.35 -0.84 113.70 116.67 1j8k s SER 71 Ca 0.35 -0.42 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 1j8k s SER 71 Cb -0.13 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 1j8k s SER 71 CO 0.22 -0.12 0.29 -0.69 0.41 0.00 0.00 173.24 173.35 1j8k s VAL 72 N 1.64 5.30 -0.09 3.43 1.01 -0.27 -1.87 120.40 129.54 1j8k s VAL 72 Ca 0.04 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1j8k s VAL 72 Cb -0.13 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1j8k s VAL 72 CO -0.09 0.43 0.09 -0.69 0.00 0.00 0.00 175.10 174.85 1j8k s VAL 73 N 0.15 -0.14 0.96 2.92 1.01 -0.81 -2.06 120.40 122.43 1j8k s VAL 73 Ca 0.17 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1j8k s VAL 73 Cb -0.13 -0.32 0.21 0.00 0.00 0.00 0.00 36.38 36.14 1j8k s VAL 73 CO 0.05 0.03 1.31 0.00 0.00 0.00 0.00 175.10 176.49 1j8k s ALA 74 N 2.19 2.31 0.06 5.51 0.00 -1.26 0.15 121.76 130.72 1j8k s ALA 74 Ca 0.04 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1j8k s ALA 74 Cb -0.13 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1j8k s ALA 74 CO -0.06 -2.45 -0.07 -0.51 0.00 0.00 0.00 175.76 172.68 1j8k s LEU 75 N -5.87 2.36 -0.39 0.00 1.43 0.25 -2.89 118.68 113.57 1j8k s LEU 75 Ca 0.75 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1j8k s LEU 75 Cb -0.03 -0.09 0.17 0.00 0.03 0.00 0.00 46.19 46.27 1j8k s LEU 75 CO 0.53 -0.33 0.54 -2.28 0.23 0.00 0.00 176.35 175.04 1j8k s HIS 76 N -2.35 -1.21 0.00 0.29 2.46 -1.25 -1.70 115.29 111.53 1j8k s HIS 76 Ca -0.02 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.39 1j8k s HIS 76 Cb -0.03 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.47 1j8k s HIS 76 CO -0.02 -1.10 0.00 -0.25 -2.47 0.00 0.00 174.74 170.90 1j8k n ASP 77 N 4.36 0.00 -2.09 9.88 8.00 -1.26 -2.61 116.55 132.83 1j8k n ASP 77 Ca 0.11 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.58 1j8k n ASP 77 Cb 0.53 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.68 1j8k n ASP 77 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1j8k n ASP 78 N 1.67 -1.14 -4.67 -2.24 8.00 -1.26 -5.13 116.55 111.78 1j8k n ASP 78 Ca 0.00 -2.13 -0.28 0.00 0.71 0.00 0.00 54.79 53.09 1j8k n ASP 78 Cb 0.00 0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 41.51 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 2.43 -0.27 -1.24 -1.94 -1.07 -5.01 119.30 112.13 1j8k s MET 79 Ca 0.07 -1.01 0.13 0.00 -1.71 0.00 0.00 55.69 53.16 1j8k s MET 79 Cb 0.29 -2.41 0.75 0.00 2.01 0.00 0.00 34.83 35.47 1j8k s MET 79 CO -0.08 0.49 1.72 0.39 -0.01 0.00 0.00 175.02 177.52 1j8k n GLU 80 N 0.15 4.09 -1.21 2.03 -0.58 -1.26 -3.84 120.64 120.02 1j8k n GLU 80 Ca -0.10 -3.10 0.00 0.00 -0.42 0.00 0.00 57.16 53.54 1j8k n GLU 80 Cb 0.54 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1j8k n GLU 80 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1j8k n SER 81 N 0.10 0.00 -1.77 1.62 2.88 -1.14 -4.29 113.62 111.02 1j8k n SER 81 Ca 0.32 0.68 -0.25 0.00 -1.33 0.00 0.00 58.87 58.29 1j8k n SER 81 Cb 1.23 -1.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 1j8k n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8k n GLN 82 N 1.53 0.00 -2.05 -1.46 3.00 -1.26 -4.26 117.38 112.89 1j8k n GLN 82 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1j8k n GLN 82 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 30.24 29.60 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 2.20 3.66 -0.12 -1.09 0.04 -1.26 -4.73 135.00 133.69 1j8k s PRO 83 Ca 0.48 1.64 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 1j8k s PRO 83 Cb -0.61 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 29.78 1j8k s PRO 83 CO 0.28 -1.47 0.29 -1.17 0.04 0.00 0.00 177.00 174.97 1j8k s LEU 84 N 5.75 4.31 0.43 -3.56 2.96 -0.88 -4.90 118.68 122.79 1j8k s LEU 84 Ca 0.75 0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.24 1j8k s LEU 84 Cb -0.25 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1j8k s LEU 84 CO 0.31 0.19 0.67 -0.63 -1.32 0.00 0.00 176.35 175.58 1j8k s ILE 85 N -0.08 4.75 -0.45 6.68 -1.09 -1.26 -1.11 121.20 128.63 1j8k s ILE 85 Ca 0.18 -0.22 0.06 0.00 -2.23 0.00 0.00 60.65 58.44 1j8k s ILE 85 Cb -0.14 -3.77 0.18 0.00 -1.58 0.00 0.00 42.46 37.16 1j8k s ILE 85 CO 0.06 -0.61 0.61 -0.83 -1.23 0.00 0.00 174.94 172.94 1j8k s GLY 86 N -4.11 -0.83 -0.13 6.18 0.00 -0.02 -4.92 107.32 103.49 1j8k s GLY 86 Ca 0.45 -0.52 -0.22 0.00 0.00 0.00 0.00 44.72 44.43 1j8k s GLY 86 CO 0.40 3.38 0.66 -1.59 0.00 0.00 0.00 173.10 175.94 1j8k s THR 87 N 1.16 5.05 -0.04 0.90 2.01 -1.26 -2.62 115.64 120.84 1j8k s THR 87 Ca 0.24 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.53 1j8k s THR 87 Cb -0.03 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.53 1j8k s THR 87 CO -0.07 0.20 0.07 -1.58 -0.69 0.00 0.00 174.62 172.55 1j8k s GLN 88 N 1.25 0.02 -0.30 4.92 -0.44 -1.04 -4.96 119.66 119.12 1j8k s GLN 88 Ca 0.33 0.24 -0.29 0.00 -2.50 0.00 0.00 55.36 53.14 1j8k s GLN 88 Cb -0.17 -0.19 -0.02 0.00 -1.64 0.00 0.00 33.01 31.00 1j8k s GLN 88 CO 0.14 -0.15 1.66 -1.12 0.50 0.00 0.00 175.29 176.33 1j8k s SER 89 N 0.96 6.17 -0.00 6.67 0.01 -1.26 -2.06 113.70 124.18 1j8k s SER 89 Ca -0.08 1.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.25 1j8k s SER 89 Cb -0.11 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 1j8k s SER 89 CO -0.04 -1.48 1.92 -0.89 0.41 0.00 0.00 173.24 173.17 1j8k s THR 90 N 5.95 3.13 0.00 1.44 2.01 -1.06 -4.83 115.64 122.29 1j8k s THR 90 Ca 0.74 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1j8k s THR 90 Cb -0.22 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1j8k s THR 90 CO 0.32 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.23 1j8k n ALA 91 N 7.78 0.00 -2.25 7.40 0.00 -1.26 -0.74 120.51 131.43 1j8k n ALA 91 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 1j8k n ALA 91 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.25 0.65 -0.97 0.00 -0.00 -1.26 -1.74 121.20 117.62 1j8k s ILE 92 Ca 0.00 -1.98 -0.23 0.00 -0.00 0.00 0.00 60.65 58.44 1j8k s ILE 92 Cb 0.00 -2.22 0.06 0.00 -0.00 0.00 0.00 42.46 40.30 1j8k s ILE 92 CO 0.00 -0.39 1.38 -2.16 -0.00 0.00 0.00 174.94 173.77 1j8k s PRO 93 N -3.94 3.54 0.00 0.37 0.04 -1.26 -4.65 135.00 129.11 1j8k s PRO 93 Ca 0.27 -1.12 0.25 0.00 0.04 0.00 0.00 61.00 60.43 1j8k s PRO 93 Cb 0.06 -5.16 0.41 0.00 0.04 0.00 0.00 34.50 29.85 1j8k s PRO 93 CO 0.06 -2.13 1.38 0.00 0.04 0.00 0.00 177.00 176.34