#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 2.76 -1.07 -1.44 1.10 -1.26 -4.99 121.20 116.29 1j8k s ILE 2 Ca 0.00 -0.01 0.16 0.00 -0.51 0.00 0.00 60.65 60.29 1j8k s ILE 2 Cb 0.00 -3.19 -0.10 0.00 0.15 0.00 0.00 42.46 39.31 1j8k s ILE 2 CO 0.00 -0.22 0.76 -0.67 -2.11 0.00 0.00 174.94 172.70 1j8k n ASP 3 N -2.95 1.13 -1.80 4.50 -0.08 -1.26 -4.97 116.55 111.12 1j8k n ASP 3 Ca 0.07 -1.06 0.00 0.00 -1.51 0.00 0.00 54.79 52.29 1j8k n ASP 3 Cb 0.59 0.78 0.00 0.00 2.34 0.00 0.00 41.12 44.83 1j8k n ASP 3 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j8k n ARG 4 N -0.85 -4.99 -0.56 -0.67 1.74 -1.26 -4.89 116.66 105.17 1j8k n ARG 4 Ca 0.05 3.67 -0.22 0.00 -0.77 0.00 0.00 57.85 60.58 1j8k n ARG 4 Cb 0.29 -4.12 0.20 0.00 -1.02 0.00 0.00 32.46 27.81 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 -0.38 -3.12 0.00 5.56 -0.04 -1.26 -4.85 135.00 130.91 1j8k n PRO 5 Ca 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1j8k n PRO 5 Cb 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1j8k n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j8k n LYS 6 N -4.26 0.00 -3.19 0.54 5.02 -1.26 -5.02 118.16 109.99 1j8k n LYS 6 Ca 0.11 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1j8k n LYS 6 Cb 0.44 -0.30 -0.01 0.00 -0.02 0.00 0.00 35.03 35.14 1j8k n LYS 6 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1j8k s GLY 7 N -4.32 -0.97 0.77 0.72 0.00 -1.26 -5.03 107.32 97.23 1j8k s GLY 7 Ca 0.00 1.90 -0.11 0.00 0.00 0.00 0.00 44.72 46.51 1j8k s GLY 7 CO 0.00 3.36 1.10 0.48 0.00 0.00 0.00 173.10 178.04 1j8k s LEU 8 N 2.86 3.06 0.24 0.66 0.05 -1.26 -3.92 118.68 120.36 1j8k s LEU 8 Ca 0.19 1.88 0.10 0.00 0.05 0.00 0.00 54.13 56.35 1j8k s LEU 8 Cb -0.15 -4.53 -0.05 0.00 -2.05 0.00 0.00 46.19 39.42 1j8k s LEU 8 CO -0.21 -2.10 -0.18 0.00 -0.55 0.00 0.00 176.35 173.32 1j8k s ALA 9 N -2.81 2.40 -0.27 1.48 0.00 -0.05 -4.96 121.76 117.55 1j8k s ALA 9 Ca 0.62 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1j8k s ALA 9 Cb -0.18 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1j8k s ALA 9 CO 0.54 0.20 0.01 -0.06 0.00 0.00 0.00 175.76 176.46 1j8k s PHE 10 N -2.60 3.11 -0.22 0.00 0.08 -1.26 -2.40 117.98 114.69 1j8k s PHE 10 Ca 0.26 -1.27 -0.18 0.00 0.12 0.00 0.00 56.93 55.86 1j8k s PHE 10 Cb -0.04 -2.16 -0.15 0.00 -0.57 0.00 0.00 43.02 40.11 1j8k s PHE 10 CO 0.11 -0.65 -0.02 2.41 -0.10 0.00 0.00 175.22 176.96 1j8k n THR 11 N 4.77 1.52 -3.41 0.64 -1.04 -0.99 -4.95 114.28 110.82 1j8k n THR 11 Ca -0.15 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.05 61.68 1j8k n THR 11 Cb 0.47 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 66.87 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 -6.90 -0.08 -0.21 8.00 2.15 -1.18 -5.01 116.67 113.44 1j8k s ASP 12 Ca -0.31 0.51 -0.09 0.00 0.43 0.00 0.00 52.55 53.10 1j8k s ASP 12 Cb 0.08 1.31 -0.04 0.00 -0.30 0.00 0.00 42.92 43.97 1j8k s ASP 12 CO 0.52 -0.28 0.10 0.54 -0.17 0.00 0.00 175.17 175.88 1j8k s VAL 13 N 2.60 4.95 0.10 1.11 0.11 -1.26 -0.11 120.40 127.90 1j8k s VAL 13 Ca 0.10 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1j8k s VAL 13 Cb -0.14 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1j8k s VAL 13 CO -0.16 0.40 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.31 1j8k s ASP 14 N 0.76 1.36 0.58 3.54 2.15 0.39 -4.75 116.67 120.71 1j8k s ASP 14 Ca 0.05 -0.84 0.27 0.00 0.43 0.00 0.00 52.55 52.46 1j8k s ASP 14 Cb -0.13 0.03 1.62 0.00 -0.30 0.00 0.00 42.92 44.14 1j8k s ASP 14 CO 0.02 -0.30 2.13 1.62 -0.17 0.00 0.00 175.17 178.46 1j8k h VAL 15 N 3.46 0.56 -0.06 1.11 3.04 -1.86 -1.92 116.25 120.59 1j8k h VAL 15 Ca -0.37 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 1j8k h VAL 15 Cb 1.19 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1j8k h VAL 15 CO 0.55 0.00 -0.30 -0.67 -1.01 0.00 0.00 177.57 176.14 1j8k n ASP 16 N -3.94 2.05 0.00 3.17 -0.08 -1.26 -3.90 116.55 112.59 1j8k n ASP 16 Ca 0.01 -3.65 0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1j8k n ASP 16 Cb 0.27 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.21 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1j8k n SER 17 N -1.18 0.00 -3.80 1.67 2.88 -0.72 -1.24 113.62 111.23 1j8k n SER 17 Ca 0.20 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.44 1j8k n SER 17 Cb 0.73 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.83 1.10 -0.17 2.46 -1.09 -0.78 0.15 121.20 122.03 1j8k s ILE 18 Ca 0.00 -1.38 -0.27 0.00 -2.23 0.00 0.00 60.65 56.76 1j8k s ILE 18 Cb 0.00 -1.73 -0.01 0.00 -1.58 0.00 0.00 42.46 39.14 1j8k s ILE 18 CO 0.00 -0.52 0.93 -0.75 -1.23 0.00 0.00 174.94 173.36 1j8k s LYS 19 N 1.53 4.31 0.03 2.79 2.20 0.84 -2.33 119.74 129.11 1j8k s LYS 19 Ca 0.06 1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.82 1j8k s LYS 19 Cb -0.18 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1j8k s LYS 19 CO -0.18 -0.41 0.06 0.96 -0.36 0.00 0.00 175.35 175.42 1j8k s ILE 20 N 2.42 0.14 -0.16 5.43 -4.36 -1.08 -2.35 121.20 121.24 1j8k s ILE 20 Ca 0.42 -1.12 -0.01 0.00 -0.26 0.00 0.00 60.65 59.67 1j8k s ILE 20 Cb -0.17 -0.84 0.05 0.00 1.25 0.00 0.00 42.46 42.75 1j8k s ILE 20 CO 0.12 -0.62 -0.01 0.00 0.24 0.00 0.00 174.94 174.67 1j8k s ALA 21 N -2.51 1.23 0.09 2.27 0.00 -1.01 -1.44 121.76 120.40 1j8k s ALA 21 Ca -0.06 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 1j8k s ALA 21 Cb -0.02 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.93 1j8k s ALA 21 CO -0.04 -0.89 0.50 1.67 0.00 0.00 0.00 175.76 177.00 1j8k s TRP 22 N 1.74 3.67 0.35 0.00 -2.14 -0.76 -0.88 118.94 120.93 1j8k s TRP 22 Ca 0.00 1.06 -0.24 0.00 2.66 0.00 0.00 56.10 59.59 1j8k s TRP 22 Cb -0.16 -2.35 -0.15 0.00 -3.10 0.00 0.00 33.47 27.71 1j8k s TRP 22 CO -0.07 0.52 0.33 0.39 -2.66 0.00 0.00 176.95 175.46 1j8k n GLU 23 N 1.22 0.16 -3.02 3.25 -0.58 -1.25 -4.74 120.64 115.67 1j8k n GLU 23 Ca -0.09 0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.36 1j8k n GLU 23 Cb 0.52 -1.13 -0.06 0.00 -0.57 0.00 0.00 31.44 30.19 1j8k n GLU 23 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1j8k s SER 24 N -0.97 7.06 1.07 1.62 0.01 -1.26 -4.69 113.70 116.53 1j8k s SER 24 Ca 0.61 1.50 -0.18 0.00 1.31 0.00 0.00 55.95 59.20 1j8k s SER 24 Cb -0.71 -2.45 0.25 0.00 0.21 0.00 0.00 66.02 63.31 1j8k s SER 24 CO 0.60 -0.05 1.27 -2.16 0.41 0.00 0.00 173.24 173.31 1j8k s PRO 25 N -2.24 -0.19 0.58 12.44 0.04 -1.26 -4.88 135.00 139.49 1j8k s PRO 25 Ca 0.48 -0.39 0.29 0.00 0.04 0.00 0.00 61.00 61.41 1j8k s PRO 25 Cb -0.15 -1.75 1.46 0.00 0.04 0.00 0.00 34.50 34.10 1j8k s PRO 25 CO 0.20 -2.97 1.88 -0.56 0.04 0.00 0.00 177.00 175.59 1j8k h GLN 26 N -2.04 0.00 0.00 4.56 3.07 -1.92 -3.46 115.11 115.31 1j8k h GLN 26 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1j8k h GLN 26 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1j8k h GLN 26 CO 0.32 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.65 1j8k n GLY 27 N -1.56 2.34 3.38 0.06 0.00 -1.26 -5.07 105.19 103.09 1j8k n GLY 27 Ca 0.11 -0.55 -0.54 0.00 0.00 0.00 0.00 46.02 45.04 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 0.69 -3.76 1.61 7.27 -1.26 -4.89 117.38 117.04 1j8k n GLN 28 Ca 0.00 0.18 -0.13 0.00 0.07 0.00 0.00 57.00 57.12 1j8k n GLN 28 Cb 0.00 -2.13 -0.10 0.00 2.41 0.00 0.00 30.24 30.43 1j8k n GLN 28 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1j8k s VAL 29 N 6.92 0.03 -0.78 1.69 1.01 -1.26 -4.89 120.40 123.12 1j8k s VAL 29 Ca 1.13 -0.28 0.15 0.00 0.00 0.00 0.00 61.98 62.99 1j8k s VAL 29 Cb -1.08 -0.55 -0.15 0.00 0.00 0.00 0.00 36.38 34.60 1j8k s VAL 29 CO 0.55 -0.15 0.66 -0.24 0.00 0.00 0.00 175.10 175.91 1j8k n SER 30 N 1.97 0.80 0.00 3.32 2.88 -1.25 -4.96 113.62 116.37 1j8k n SER 30 Ca -0.18 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1j8k n SER 30 Cb 0.57 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 1j8k n SER 30 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1j8k n ARG 31 N -1.24 -3.21 -3.34 -1.46 0.63 -1.26 -4.84 116.66 101.93 1j8k n ARG 31 Ca 0.03 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1j8k n ARG 31 Cb 0.24 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.11 1j8k n ARG 31 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1j8k s TYR 32 N -2.05 -1.29 0.24 -0.14 6.14 -1.26 -1.05 117.35 117.94 1j8k s TYR 32 Ca 0.00 1.61 -0.23 0.00 0.64 0.00 0.00 57.07 59.09 1j8k s TYR 32 Cb 0.00 0.46 -0.09 0.00 0.42 0.00 0.00 41.96 42.75 1j8k s TYR 32 CO 0.00 -0.76 0.81 0.50 0.64 0.00 0.00 175.55 176.74 1j8k s ARG 33 N 2.77 4.43 -0.29 4.97 3.52 0.43 -3.88 118.95 130.90 1j8k s ARG 33 Ca 0.12 1.08 -0.03 0.00 -0.13 0.00 0.00 55.73 56.77 1j8k s ARG 33 Cb -0.14 -2.93 0.10 0.00 -1.56 0.00 0.00 34.95 30.41 1j8k s ARG 33 CO -0.19 0.39 0.12 0.08 -0.81 0.00 0.00 175.30 174.90 1j8k s VAL 34 N -1.48 0.17 0.06 7.11 1.01 -0.05 -1.38 120.40 125.84 1j8k s VAL 34 Ca 0.44 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1j8k s VAL 34 Cb -0.19 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1j8k s VAL 34 CO 0.23 -0.68 -0.06 0.42 0.00 0.00 0.00 175.10 175.01 1j8k s THR 35 N 1.98 3.67 -0.06 3.92 -4.23 -1.08 -1.06 115.64 118.79 1j8k s THR 35 Ca 0.09 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1j8k s THR 35 Cb -0.16 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.01 1j8k s THR 35 CO -0.32 0.24 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.16 1j8k s TYR 36 N -1.15 1.37 0.20 3.99 1.13 -1.01 0.71 117.35 122.60 1j8k s TYR 36 Ca 0.21 -0.48 0.08 0.00 -1.41 0.00 0.00 57.07 55.46 1j8k s TYR 36 Cb -0.11 -1.01 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 1j8k s TYR 36 CO 0.12 -0.25 -0.01 -1.54 -2.51 0.00 0.00 175.55 171.36 1j8k s SER 37 N 0.63 4.63 -0.04 -0.18 1.04 -0.97 -0.80 113.70 118.01 1j8k s SER 37 Ca -0.13 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 1j8k s SER 37 Cb -0.15 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.07 1j8k s SER 37 CO 0.03 0.06 0.09 -0.44 0.98 0.00 0.00 173.24 173.97 1j8k s SER 38 N -3.14 -0.05 -0.95 7.02 0.01 0.37 -0.67 113.70 116.28 1j8k s SER 38 Ca 0.28 0.18 -0.10 0.00 1.31 0.00 0.00 55.95 57.62 1j8k s SER 38 Cb -0.08 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.18 1j8k s SER 38 CO 0.18 -0.09 2.13 -0.81 0.41 0.00 0.00 173.24 175.06 1j8k n PRO 39 N 3.73 2.09 0.00 12.44 -0.04 -1.26 -2.46 135.00 149.50 1j8k n PRO 39 Ca -0.21 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1j8k n PRO 39 Cb 0.54 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 4.89 0.00 0.03 0.54 1.02 -1.26 -4.92 120.64 120.93 1j8k n GLU 40 Ca 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.59 1j8k n GLU 40 Cb 0.21 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.00 0.00 1.62 3.32 -1.97 -3.50 116.42 115.88 1j8k h ASP 41 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j8k h ASP 41 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j8k h ASP 41 CO 0.00 0.72 0.00 0.61 -1.72 0.00 0.00 179.24 178.85 1j8k n GLY 42 N 1.42 0.11 3.20 2.75 0.00 -1.03 -5.00 105.19 106.64 1j8k n GLY 42 Ca -0.09 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.39 0.78 0.26 -0.61 2.07 -1.26 0.14 121.20 122.19 1j8k s ILE 43 Ca 0.00 -1.97 0.02 0.00 -1.41 0.00 0.00 60.65 57.29 1j8k s ILE 43 Cb 0.00 -1.83 -0.05 0.00 0.13 0.00 0.00 42.46 40.70 1j8k s ILE 43 CO 0.00 -0.74 0.06 -2.28 -1.91 0.00 0.00 174.94 170.06 1j8k s HIS 44 N -3.57 1.62 -0.00 3.50 2.46 0.02 -4.97 115.29 114.34 1j8k s HIS 44 Ca 0.16 -1.05 0.07 0.00 0.47 0.00 0.00 55.06 54.71 1j8k s HIS 44 Cb 0.05 -0.97 -0.02 0.00 -0.13 0.00 0.00 32.58 31.51 1j8k s HIS 44 CO -0.01 -0.17 -0.21 -1.21 -2.47 0.00 0.00 174.74 170.66 1j8k s GLU 45 N -3.95 1.67 0.10 2.88 2.02 -1.26 -2.40 118.70 117.76 1j8k s GLU 45 Ca 0.34 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1j8k s GLU 45 Cb 0.07 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.63 1j8k s GLU 45 CO 0.12 0.45 0.08 -1.17 0.02 0.00 0.00 175.26 174.75 1j8k s LEU 46 N -0.63 1.88 -0.45 1.80 0.20 -0.22 -4.97 118.68 116.28 1j8k s LEU 46 Ca 0.08 -0.98 0.06 0.00 0.69 0.00 0.00 54.13 53.98 1j8k s LEU 46 Cb -0.08 0.51 0.19 0.00 -0.43 0.00 0.00 46.19 46.37 1j8k s LEU 46 CO -0.00 -0.70 0.72 0.72 -0.29 0.00 0.00 176.35 176.79 1j8k s PHE 47 N -3.95 -1.56 -1.40 5.38 -0.71 -1.26 -0.87 117.98 113.61 1j8k s PHE 47 Ca 0.13 -0.14 -0.12 0.00 -1.04 0.00 0.00 56.93 55.76 1j8k s PHE 47 Cb 0.07 0.30 0.08 0.00 -1.21 0.00 0.00 43.02 42.26 1j8k s PHE 47 CO -0.05 -1.14 2.10 -0.35 -1.34 0.00 0.00 175.22 174.44 1j8k n PRO 48 N 3.64 3.12 -1.16 1.99 -0.04 -1.25 -4.94 135.00 136.36 1j8k n PRO 48 Ca 0.14 -2.93 -0.50 0.00 -0.04 0.00 0.00 63.50 60.17 1j8k n PRO 48 Cb 0.57 -3.17 -0.09 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.37 -0.44 -1.70 0.55 0.00 -1.26 -4.75 120.51 118.28 1j8k n ALA 49 Ca 0.48 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.87 1j8k n ALA 49 Cb 0.38 -1.55 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 3.49 3.19 -0.10 0.00 0.04 -1.26 -4.98 135.00 135.37 1j8k s PRO 50 Ca 0.87 0.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 1j8k s PRO 50 Cb -1.16 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1j8k s PRO 50 CO 0.57 -0.89 -0.17 -3.47 0.04 0.00 0.00 177.00 173.08 1j8k n ASP 51 N -2.98 1.19 -0.54 6.66 -0.08 -1.26 -4.80 116.55 114.74 1j8k n ASP 51 Ca 0.07 0.34 -0.02 0.00 -1.51 0.00 0.00 54.79 53.67 1j8k n ASP 51 Cb 0.54 -0.69 -0.02 0.00 2.34 0.00 0.00 41.12 43.29 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 1.56 0.16 1.08 0.27 0.00 -1.26 -4.91 105.19 102.09 1j8k n GLY 52 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1j8k n GLY 52 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j8k n GLU 53 N 0.00 0.00 -1.49 1.61 2.13 -1.26 -5.00 120.64 116.62 1j8k n GLU 53 Ca -0.08 0.00 -0.53 0.00 0.66 0.00 0.00 57.16 57.21 1j8k n GLU 53 Cb 0.37 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.02 1j8k n GLU 53 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1j8k n GLU 54 N -3.02 0.31 -0.25 5.31 1.02 -1.26 -4.85 120.64 117.90 1j8k n GLU 54 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1j8k n GLU 54 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1j8k n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j8k n ASP 55 N 1.79 0.00 -4.61 1.62 8.00 -1.26 -4.76 116.55 117.34 1j8k n ASP 55 Ca 0.18 -1.48 -0.24 0.00 0.71 0.00 0.00 54.79 53.96 1j8k n ASP 55 Cb 0.17 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.00 2.76 0.05 -3.53 -4.23 -1.26 -1.83 115.64 107.61 1j8k s THR 56 Ca 0.00 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 1j8k s THR 56 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1j8k s THR 56 CO 0.00 -0.27 0.20 0.00 -0.54 0.00 0.00 174.62 174.01 1j8k s ALA 57 N -2.48 -0.33 -0.61 3.99 0.00 -0.52 -4.99 121.76 116.81 1j8k s ALA 57 Ca 0.33 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1j8k s ALA 57 Cb -0.02 0.34 0.16 0.00 0.00 0.00 0.00 23.12 23.60 1j8k s ALA 57 CO 0.19 -0.41 0.45 -1.21 0.00 0.00 0.00 175.76 174.78 1j8k s GLU 58 N -2.95 2.64 -0.95 0.00 2.02 -1.26 -2.62 118.70 115.58 1j8k s GLU 58 Ca -0.02 -2.34 -0.13 0.00 0.02 0.00 0.00 54.97 52.50 1j8k s GLU 58 Cb 0.01 -3.84 -0.09 0.00 0.10 0.00 0.00 34.13 30.31 1j8k s GLU 58 CO -0.06 -1.18 2.10 1.28 0.02 0.00 0.00 175.26 177.42 1j8k n LEU 59 N 3.87 5.02 -4.84 1.80 4.77 -0.99 -4.85 117.00 121.78 1j8k n LEU 59 Ca 0.05 -3.08 -0.33 0.00 -0.03 0.00 0.00 56.01 52.63 1j8k n LEU 59 Cb 0.40 -1.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.25 1j8k n LEU 59 CO 0.35 0.39 0.53 -1.10 -1.33 0.00 0.00 177.39 176.22 1j8k s GLN 60 N 3.90 4.10 0.00 3.23 -0.21 -1.26 -1.87 119.66 127.55 1j8k s GLN 60 Ca 0.48 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.74 1j8k s GLN 60 Cb 0.13 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1j8k s GLN 60 CO 0.02 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 1j8k n GLY 61 N -0.55 0.11 0.00 3.09 0.00 -0.38 -4.91 105.19 102.55 1j8k n GLY 61 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.44 0.00 -4.42 0.99 4.77 -1.25 -4.94 117.00 111.71 1j8k n LEU 62 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1j8k n LEU 62 Cb 0.16 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 1j8k n LEU 62 CO 0.00 0.00 -0.55 -0.13 -1.33 0.00 0.00 177.39 175.38 1j8k s ARG 63 N -0.95 1.50 0.01 3.23 0.52 -1.25 -4.80 118.95 117.20 1j8k s ARG 63 Ca 0.00 -1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 53.60 1j8k s ARG 63 Cb 0.00 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1j8k s ARG 63 CO 0.00 0.46 1.02 -1.25 0.02 0.00 0.00 175.30 175.55 1j8k s PRO 64 N -2.09 4.53 0.00 3.54 0.04 -1.26 -4.38 135.00 135.38 1j8k s PRO 64 Ca 0.15 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1j8k s PRO 64 Cb -0.10 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1j8k s PRO 64 CO 0.07 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1j8k n GLY 65 N 2.97 -0.35 3.63 0.56 0.00 -1.26 -5.04 105.19 105.70 1j8k n GLY 65 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1j8k n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j8k s SER 66 N -1.72 -0.45 -0.71 1.61 1.04 -1.26 -5.01 113.70 107.20 1j8k s SER 66 Ca 0.00 0.71 -0.26 0.00 0.48 0.00 0.00 55.95 56.88 1j8k s SER 66 Cb 0.00 1.21 0.01 0.00 0.10 0.00 0.00 66.02 67.34 1j8k s SER 66 CO 0.00 -0.11 1.55 -0.70 0.98 0.00 0.00 173.24 174.96 1j8k s GLU 67 N 1.38 2.95 -1.02 4.02 2.56 -1.26 -2.59 118.70 124.74 1j8k s GLU 67 Ca -0.08 0.06 -0.24 0.00 0.00 0.00 0.00 54.97 54.71 1j8k s GLU 67 Cb -0.04 -4.36 -0.06 0.00 2.00 0.00 0.00 34.13 31.67 1j8k s GLU 67 CO -0.14 -2.44 1.93 0.71 -0.56 0.00 0.00 175.26 174.75 1j8k s TYR 68 N 7.25 1.90 -1.21 5.30 1.51 -0.74 -4.23 117.35 127.12 1j8k s TYR 68 Ca 0.50 0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 56.86 1j8k s TYR 68 Cb -0.09 -4.05 -0.03 0.00 -0.11 0.00 0.00 41.96 37.68 1j8k s TYR 68 CO 0.15 -1.53 1.88 2.41 -1.11 0.00 0.00 175.55 177.35 1j8k n THR 69 N 7.81 2.80 -2.23 -0.71 -1.04 0.16 -3.65 114.28 117.42 1j8k n THR 69 Ca 0.42 -2.85 -0.36 0.00 -2.04 0.00 0.00 64.05 59.22 1j8k n THR 69 Cb 0.47 -2.28 -0.00 0.00 -1.82 0.00 0.00 70.33 66.69 1j8k n THR 69 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1j8k s VAL 70 N 7.31 3.08 -0.38 12.58 1.01 -0.77 -2.30 120.40 140.94 1j8k s VAL 70 Ca 0.60 0.74 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1j8k s VAL 70 Cb 0.04 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.19 1j8k s VAL 70 CO 0.10 -0.09 0.13 -0.44 0.00 0.00 0.00 175.10 174.80 1j8k s SER 71 N -1.56 4.32 0.22 3.32 0.01 0.22 0.44 113.70 120.66 1j8k s SER 71 Ca 0.69 -2.25 -0.30 0.00 1.31 0.00 0.00 55.95 55.40 1j8k s SER 71 Cb -0.27 -1.34 -0.08 0.00 0.21 0.00 0.00 66.02 64.54 1j8k s SER 71 CO 0.31 -0.34 1.01 -0.69 0.41 0.00 0.00 173.24 173.93 1j8k s VAL 72 N 0.79 3.97 -0.12 3.43 1.01 0.02 -2.63 120.40 126.87 1j8k s VAL 72 Ca 0.13 1.87 -0.08 0.00 0.00 0.00 0.00 61.98 63.90 1j8k s VAL 72 Cb -0.21 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.03 1j8k s VAL 72 CO -0.10 0.40 0.31 -0.69 0.00 0.00 0.00 175.10 175.02 1j8k s VAL 73 N -0.83 -0.02 0.65 2.92 1.01 -0.48 0.38 120.40 124.03 1j8k s VAL 73 Ca 0.44 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1j8k s VAL 73 Cb -0.27 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.72 1j8k s VAL 73 CO 0.34 0.04 0.92 0.00 0.00 0.00 0.00 175.10 176.40 1j8k s ALA 74 N 0.97 3.56 0.00 5.51 0.00 -1.26 -0.43 121.76 130.11 1j8k s ALA 74 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1j8k s ALA 74 Cb -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1j8k s ALA 74 CO -0.07 -1.14 0.00 1.28 0.00 0.00 0.00 175.76 175.83 1j8k n LEU 75 N -2.68 0.00 0.00 0.00 4.77 -0.21 -4.16 117.00 114.71 1j8k n LEU 75 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1j8k n LEU 75 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1j8k n LEU 75 CO 0.47 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.10 1j8k n HIS 76 N 0.00 0.00 -0.05 -1.77 -0.00 -1.26 -3.94 115.22 108.19 1j8k n HIS 76 Ca 0.00 0.00 0.24 0.00 0.46 0.00 0.00 57.72 58.42 1j8k n HIS 76 Cb 0.00 0.00 0.62 0.00 -0.12 0.00 0.00 29.99 30.49 1j8k n HIS 76 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1j8k h ASP 77 N 0.00 0.00 0.00 0.26 3.32 -1.94 -3.38 116.42 114.68 1j8k h ASP 77 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j8k h ASP 77 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j8k h ASP 77 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1j8k n ASP 78 N -3.50 0.00 -2.97 6.45 8.00 -1.26 -5.11 116.55 118.16 1j8k n ASP 78 Ca 0.15 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 1j8k n ASP 78 Cb 1.04 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.11 1j8k n ASP 78 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1j8k n MET 79 N 0.00 1.01 -3.03 -1.24 2.81 -1.26 -5.11 117.12 110.31 1j8k n MET 79 Ca 0.00 -1.80 -0.17 0.00 -1.81 0.00 0.00 57.70 53.91 1j8k n MET 79 Cb 0.00 0.77 -0.02 0.00 -0.71 0.00 0.00 33.22 33.26 1j8k n MET 79 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1j8k n GLU 80 N -0.54 0.80 -1.55 0.03 2.13 -1.26 -4.68 120.64 115.57 1j8k n GLU 80 Ca -0.06 -2.72 -0.38 0.00 0.66 0.00 0.00 57.16 54.65 1j8k n GLU 80 Cb 0.32 -1.34 0.04 0.00 0.27 0.00 0.00 31.44 30.73 1j8k n GLU 80 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1j8k n SER 81 N 1.20 -0.02 -4.52 4.31 3.41 -1.26 -4.74 113.62 112.01 1j8k n SER 81 Ca 0.17 0.79 -0.58 0.00 -0.26 0.00 0.00 58.87 58.99 1j8k n SER 81 Cb 0.59 -1.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.18 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 -0.54 0.21 -2.29 4.33 3.00 -1.26 -4.71 117.38 116.12 1j8k n GLN 82 Ca 0.13 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 1j8k n GLN 82 Cb 0.47 -1.60 -0.03 0.00 0.00 0.00 0.00 30.24 29.08 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 0.07 4.31 0.38 -1.09 0.04 -1.26 -4.79 135.00 132.67 1j8k s PRO 83 Ca 0.89 1.88 -0.07 0.00 0.04 0.00 0.00 61.00 63.74 1j8k s PRO 83 Cb -1.21 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 29.72 1j8k s PRO 83 CO 0.55 -0.53 0.70 -1.17 0.04 0.00 0.00 177.00 176.59 1j8k s LEU 84 N 2.29 3.86 0.21 -3.56 2.96 0.16 -4.91 118.68 119.69 1j8k s LEU 84 Ca 0.61 0.93 0.11 0.00 -0.22 0.00 0.00 54.13 55.56 1j8k s LEU 84 Cb -0.30 -3.81 -0.04 0.00 0.50 0.00 0.00 46.19 42.54 1j8k s LEU 84 CO 0.25 -0.37 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.10 1j8k s ILE 85 N -2.36 2.65 -0.47 6.68 -1.09 -1.26 -0.80 121.20 124.54 1j8k s ILE 85 Ca 0.48 -1.99 0.06 0.00 -2.23 0.00 0.00 60.65 56.97 1j8k s ILE 85 Cb -0.10 -2.31 0.20 0.00 -1.58 0.00 0.00 42.46 38.66 1j8k s ILE 85 CO 0.34 -0.18 0.62 0.61 -1.23 0.00 0.00 174.94 175.11 1j8k n GLY 86 N 0.00 0.57 3.87 6.18 0.00 0.17 -4.85 105.19 111.13 1j8k n GLY 86 Ca -0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1j8k n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8k s THR 87 N 0.44 4.74 0.00 2.61 2.01 -1.26 -1.84 115.64 122.35 1j8k s THR 87 Ca 0.32 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1j8k s THR 87 Cb 0.06 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1j8k s THR 87 CO -0.13 -0.90 0.00 1.67 -0.69 0.00 0.00 174.62 174.57 1j8k n GLN 88 N -2.21 0.00 -2.33 4.92 0.00 -1.24 -4.95 117.38 111.57 1j8k n GLN 88 Ca 0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.62 1j8k n GLN 88 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.76 1j8k n GLN 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1j8k s SER 89 N 0.00 6.90 0.21 1.69 1.04 -1.26 -1.80 113.70 120.48 1j8k s SER 89 Ca 0.00 1.87 -0.32 0.00 0.48 0.00 0.00 55.95 57.97 1j8k s SER 89 Cb 0.00 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.44 1j8k s SER 89 CO 0.00 -0.76 1.52 0.41 0.98 0.00 0.00 173.24 175.40 1j8k n THR 90 N 5.17 0.50 -2.41 2.02 -1.04 -1.07 -4.85 114.28 112.60 1j8k n THR 90 Ca 0.14 -0.12 -0.37 0.00 -2.04 0.00 0.00 64.05 61.65 1j8k n THR 90 Cb 0.44 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 1j8k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8k s ALA 91 N 0.44 2.51 1.04 2.41 0.00 -1.26 -4.45 121.76 122.45 1j8k s ALA 91 Ca 0.73 -2.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1j8k s ALA 91 Cb -0.63 -4.57 0.06 0.00 0.00 0.00 0.00 23.12 17.98 1j8k s ALA 91 CO 0.43 -3.96 0.09 0.44 0.00 0.00 0.00 175.76 172.76 1j8k n ILE 92 N 7.10 0.00 -2.02 0.00 -0.00 -1.26 -3.37 119.36 119.80 1j8k n ILE 92 Ca 0.38 -0.25 -0.39 0.00 -0.00 0.00 0.00 62.75 62.49 1j8k n ILE 92 Cb 0.49 -0.57 -0.02 0.00 -0.00 0.00 0.00 39.64 39.54 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 -1.58 2.47 0.00 6.28 -0.04 -1.26 -4.92 135.00 135.95 1j8k n PRO 93 Ca 0.03 -2.69 0.13 0.00 -0.04 0.00 0.00 63.50 60.92 1j8k n PRO 93 Cb 0.59 -3.41 0.21 0.00 -0.04 0.00 0.00 33.50 30.85 1j8k n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46