#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0f s SER 2 N 0.00 3.47 0.48 1.61 0.01 -1.26 -5.12 113.70 112.90 1j0f s SER 2 Ca 0.00 -2.02 -0.20 0.00 1.31 0.00 0.00 55.95 55.04 1j0f s SER 2 Cb 0.00 -0.65 -0.12 0.00 0.21 0.00 0.00 66.02 65.46 1j0f s SER 2 CO 0.00 -0.35 0.42 -0.62 0.41 0.00 0.00 173.24 173.10 1j0f n GLU 3 N 4.31 0.44 0.00 12.44 1.02 -1.26 -4.97 120.64 132.62 1j0f n GLU 3 Ca 0.05 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1j0f n GLU 3 Cb 0.38 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1j0f n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j0f n GLY 4 N 1.92 -1.71 3.25 0.62 0.00 -1.26 -5.02 105.19 102.99 1j0f n GLY 4 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1j0f n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0f s ALA 5 N -2.42 -2.24 -0.23 4.61 0.00 -1.26 -5.14 121.76 115.08 1j0f s ALA 5 Ca 0.00 1.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.82 1j0f s ALA 5 Cb 0.00 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 21.12 1j0f s ALA 5 CO 0.00 -1.25 0.51 0.00 0.00 0.00 0.00 175.76 175.02 1j0f s ALA 6 N 2.87 -1.47 -0.53 0.00 0.00 -1.26 -5.07 121.76 116.30 1j0f s ALA 6 Ca 0.15 1.84 0.07 0.00 0.00 0.00 0.00 51.96 54.02 1j0f s ALA 6 Cb -0.14 -1.42 0.31 0.00 0.00 0.00 0.00 23.12 21.86 1j0f s ALA 6 CO -0.20 -0.72 0.80 2.41 0.00 0.00 0.00 175.76 178.04 1j0f n THR 7 N 5.19 1.72 -3.66 0.00 -1.04 -1.26 -5.02 114.28 110.20 1j0f n THR 7 Ca -0.12 -5.08 -0.13 0.00 -2.04 0.00 0.00 64.05 56.68 1j0f n THR 7 Cb 0.51 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 67.49 1j0f n THR 7 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1j0f s MET 8 N -2.71 0.17 0.11 -2.82 -2.45 -1.26 -5.01 119.30 105.34 1j0f s MET 8 Ca 0.43 0.78 0.00 0.00 -1.25 0.00 0.00 55.69 55.65 1j0f s MET 8 Cb 0.25 -0.01 0.00 0.00 1.25 0.00 0.00 34.83 36.32 1j0f s MET 8 CO -0.09 -0.29 0.00 0.45 1.05 0.00 0.00 175.02 176.14 1j0f n SER 9 N 5.36 -0.23 -2.33 1.11 2.88 -1.26 -5.08 113.62 114.06 1j0f n SER 9 Ca -0.06 0.20 -0.05 0.00 -1.33 0.00 0.00 58.87 57.63 1j0f n SER 9 Cb 0.50 0.33 0.02 0.00 -0.75 0.00 0.00 64.21 64.30 1j0f n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j0f n GLY 10 N 1.18 -0.35 3.77 0.46 0.00 -1.26 -1.08 105.19 107.92 1j0f n GLY 10 Ca 0.00 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1j0f n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j0f s LEU 11 N -3.76 4.39 -0.04 0.99 2.96 -1.23 0.57 118.68 122.57 1j0f s LEU 11 Ca 0.15 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.30 1j0f s LEU 11 Cb -0.02 -3.83 0.02 0.00 0.50 0.00 0.00 46.19 42.87 1j0f s LEU 11 CO 0.37 -0.31 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.92 1j0f s ARG 12 N -1.84 0.69 -0.36 1.98 0.52 0.10 0.44 118.95 120.48 1j0f s ARG 12 Ca 0.50 -0.08 -0.04 0.00 -0.52 0.00 0.00 55.73 55.59 1j0f s ARG 12 Cb -0.29 -0.72 0.08 0.00 0.52 0.00 0.00 34.95 34.53 1j0f s ARG 12 CO 0.37 -0.06 0.12 0.08 0.02 0.00 0.00 175.30 175.83 1j0f s VAL 13 N 0.80 3.33 -0.44 3.52 1.01 0.81 -0.50 120.40 128.93 1j0f s VAL 13 Ca -0.10 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 59.97 1j0f s VAL 13 Cb -0.13 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1j0f s VAL 13 CO -0.00 -0.39 1.37 -0.31 0.00 0.00 0.00 175.10 175.77 1j0f s TYR 14 N 1.24 2.45 0.20 5.22 1.51 0.63 -0.10 117.35 128.50 1j0f s TYR 14 Ca 0.02 0.66 0.05 0.00 -1.01 0.00 0.00 57.07 56.79 1j0f s TYR 14 Cb -0.21 -4.34 -0.05 0.00 -0.11 0.00 0.00 41.96 37.25 1j0f s TYR 14 CO -0.02 -1.87 -0.08 -1.12 -1.11 0.00 0.00 175.55 171.35 1j0f s SER 15 N 3.77 2.11 0.21 2.29 0.01 -0.30 -2.20 113.70 119.58 1j0f s SER 15 Ca 0.59 -1.09 0.11 0.00 1.31 0.00 0.00 55.95 56.86 1j0f s SER 15 Cb -0.12 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1j0f s SER 15 CO 0.32 -0.34 -0.21 0.28 0.41 0.00 0.00 173.24 173.69 1j0f s THR 16 N -3.23 2.26 -0.09 1.44 -1.32 -1.26 -1.38 115.64 112.06 1j0f s THR 16 Ca 0.23 -2.13 0.07 0.00 -1.21 0.00 0.00 61.69 58.66 1j0f s THR 16 Cb 0.03 -2.12 -0.11 0.00 -1.51 0.00 0.00 72.50 68.79 1j0f s THR 16 CO 0.06 -0.26 0.02 -0.24 -2.21 0.00 0.00 174.62 171.99 1j0f n SER 17 N -0.01 2.81 -4.24 8.08 2.88 -1.26 -4.85 113.62 117.03 1j0f n SER 17 Ca -0.10 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.00 1j0f n SER 17 Cb 0.58 0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 64.62 1j0f n SER 17 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1j0f s VAL 18 N -2.22 4.76 -0.24 2.46 1.01 -1.26 -5.00 120.40 119.92 1j0f s VAL 18 Ca -0.05 -2.24 -0.12 0.00 0.00 0.00 0.00 61.98 59.56 1j0f s VAL 18 Cb 0.03 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1j0f s VAL 18 CO 0.36 -0.90 0.56 0.28 0.00 0.00 0.00 175.10 175.40 1j0f s THR 19 N 0.66 -0.18 -0.51 3.92 -1.32 -1.26 -5.01 115.64 111.94 1j0f s THR 19 Ca 0.12 0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1j0f s THR 19 Cb -0.20 -0.83 0.13 0.00 -1.51 0.00 0.00 72.50 70.09 1j0f s THR 19 CO -0.04 0.02 2.59 0.61 -2.21 0.00 0.00 174.62 175.59 1j0f n GLY 20 N 4.53 4.55 2.80 6.08 0.00 -1.26 -4.78 105.19 117.11 1j0f n GLY 20 Ca -0.19 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 1j0f n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0f s SER 21 N 0.07 1.09 0.25 1.61 0.01 -1.26 -5.01 113.70 110.44 1j0f s SER 21 Ca 0.56 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 1j0f s SER 21 Cb 0.39 0.55 0.28 0.00 0.21 0.00 0.00 66.02 67.45 1j0f s SER 21 CO -0.23 -0.32 1.76 0.03 0.41 0.00 0.00 173.24 174.89 1j0f h ARG 22 N 8.28 0.91 -0.91 12.44 -0.00 -1.99 -2.52 114.38 130.60 1j0f h ARG 22 Ca -0.17 -0.22 0.18 0.00 -0.50 0.00 0.00 59.98 59.26 1j0f h ARG 22 Cb 1.15 -0.12 -0.11 0.00 0.00 0.00 0.00 29.97 30.90 1j0f h ARG 22 CO 0.27 0.85 0.48 0.93 0.00 0.00 0.00 179.97 182.51 1j0f h GLU 23 N 0.86 0.60 0.45 0.04 4.39 -1.99 0.83 114.58 119.77 1j0f h GLU 23 Ca 0.18 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1j0f h GLU 23 Cb 0.39 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1j0f h GLU 23 CO 0.01 0.39 -0.22 0.82 -1.16 0.00 0.00 179.01 178.85 1j0f h ILE 24 N 0.61 0.30 -0.43 3.13 2.04 -1.80 -2.36 117.51 119.00 1j0f h ILE 24 Ca 0.53 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1j0f h ILE 24 Cb 0.84 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1j0f h ILE 24 CO -0.41 0.06 -0.27 0.11 0.00 0.00 0.00 178.15 177.63 1j0f h LYS 25 N -1.04 -0.19 -0.46 2.37 1.57 -0.98 -0.35 116.57 117.50 1j0f h LYS 25 Ca -0.06 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1j0f h LYS 25 Cb 0.56 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 1j0f h LYS 25 CO 0.10 -0.12 -0.45 0.77 -0.57 0.00 0.00 179.45 179.18 1j0f h SER 26 N -0.19 -1.52 -0.86 0.86 0.02 0.62 0.47 113.55 112.95 1j0f h SER 26 Ca 0.19 0.23 0.18 0.00 -0.84 0.00 0.00 61.79 61.55 1j0f h SER 26 Cb 0.50 0.66 -0.11 0.00 0.14 0.00 0.00 62.40 63.60 1j0f h SER 26 CO -0.54 -0.36 0.41 1.56 -1.14 0.00 0.00 176.83 176.76 1j0f h GLN 27 N -0.31 0.50 0.36 3.45 4.20 -0.64 0.35 115.11 123.02 1j0f h GLN 27 Ca 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1j0f h GLN 27 Cb 0.58 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1j0f h GLN 27 CO -0.61 0.33 -0.17 1.96 -0.67 0.00 0.00 178.83 179.66 1j0f h GLN 28 N 0.51 -0.47 -0.78 1.46 4.20 0.11 0.03 115.11 120.17 1j0f h GLN 28 Ca 0.50 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.35 1j0f h GLN 28 Cb 0.83 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.64 1j0f h GLN 28 CO -0.44 -0.24 0.41 0.77 -0.67 0.00 0.00 178.83 178.66 1j0f h SER 29 N -0.62 0.53 0.50 1.46 0.02 0.98 -1.02 113.55 115.40 1j0f h SER 29 Ca -0.05 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1j0f h SER 29 Cb 0.45 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1j0f h SER 29 CO 0.08 0.28 -0.25 -0.33 -1.14 0.00 0.00 176.83 175.48 1j0f h GLU 30 N 0.66 -0.65 -0.99 3.45 5.08 -0.15 0.29 114.58 122.27 1j0f h GLU 30 Ca 0.39 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.90 1j0f h GLU 30 Cb 0.44 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1j0f h GLU 30 CO -0.29 -0.43 -0.53 0.28 -1.00 0.00 0.00 179.01 177.04 1j0f h VAL 31 N -0.68 0.00 -0.66 3.13 2.07 -0.72 0.91 116.25 120.31 1j0f h VAL 31 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1j0f h VAL 31 Cb 0.52 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1j0f h VAL 31 CO 0.11 0.00 0.29 0.71 0.02 0.00 0.00 177.57 178.70 1j0f h THR 32 N -0.01 0.80 0.21 2.57 1.35 -1.13 0.12 112.91 116.82 1j0f h THR 32 Ca 0.21 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 1j0f h THR 32 Cb 0.47 0.25 -0.04 0.00 -1.73 0.00 0.00 68.15 67.10 1j0f h THR 32 CO -0.95 0.09 -0.45 -0.09 -0.25 0.00 0.00 175.52 173.87 1j0f h ARG 33 N 0.50 -0.72 -0.29 4.72 2.43 0.45 1.37 114.38 122.85 1j0f h ARG 33 Ca 0.33 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1j0f h ARG 33 Cb 0.39 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1j0f h ARG 33 CO -0.29 -0.48 -0.05 0.82 -1.51 0.00 0.00 179.97 178.46 1j0f h ILE 34 N -0.75 0.74 -0.38 1.20 2.04 -0.12 0.50 117.51 120.74 1j0f h ILE 34 Ca -0.00 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1j0f h ILE 34 Cb 0.74 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1j0f h ILE 34 CO -0.20 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 177.99 1j0f h LEU 35 N 0.02 0.08 -0.45 1.44 3.38 -0.19 0.88 115.31 120.47 1j0f h LEU 35 Ca 0.14 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1j0f h LEU 35 Cb 0.20 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1j0f h LEU 35 CO -0.28 0.08 0.24 -0.78 0.09 0.00 0.00 178.44 177.79 1j0f h ASP 36 N 0.24 0.36 -0.13 -0.43 3.58 0.29 0.42 116.42 120.76 1j0f h ASP 36 Ca 0.18 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1j0f h ASP 36 Cb 0.18 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1j0f h ASP 36 CO -0.21 0.26 0.05 1.23 -2.88 0.00 0.00 179.24 177.69 1j0f h GLY 37 N 0.48 0.22 2.00 -0.78 0.00 0.10 -1.49 103.07 103.59 1j0f h GLY 37 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1j0f h GLY 37 CO -0.12 0.11 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1j0f n LYS 38 N -4.88 0.04 -3.56 4.80 5.02 0.29 -4.86 118.16 115.01 1j0f n LYS 38 Ca -0.05 0.33 -0.19 0.00 -2.02 0.00 0.00 58.31 56.38 1j0f n LYS 38 Cb 0.12 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1j0f n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j0f n ARG 39 N -1.68 -5.89 -3.44 1.97 3.00 0.14 -4.98 116.66 105.78 1j0f n ARG 39 Ca 0.03 0.75 -0.30 0.00 -0.01 0.00 0.00 57.85 58.31 1j0f n ARG 39 Cb 0.15 -5.56 -0.04 0.00 0.00 0.00 0.00 32.46 27.01 1j0f n ARG 39 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1j0f s ILE 40 N -3.49 5.02 -0.36 0.55 1.01 -0.44 -5.03 121.20 118.45 1j0f s ILE 40 Ca 0.02 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 1j0f s ILE 40 Cb -0.01 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1j0f s ILE 40 CO 0.77 -0.15 0.57 -1.58 0.00 0.00 0.00 174.94 174.54 1j0f s GLN 41 N -3.09 3.59 0.29 2.79 0.74 -1.26 -4.82 119.66 117.90 1j0f s GLN 41 Ca 0.45 -0.12 -0.07 0.00 0.05 0.00 0.00 55.36 55.66 1j0f s GLN 41 Cb -0.11 -3.83 -0.00 0.00 1.10 0.00 0.00 33.01 30.17 1j0f s GLN 41 CO 0.25 -0.72 0.44 1.52 -0.55 0.00 0.00 175.29 176.24 1j0f s TYR 42 N 2.53 0.76 -0.09 1.67 -0.85 -1.26 -3.54 117.35 116.57 1j0f s TYR 42 Ca 0.21 -1.06 -0.00 0.00 -0.52 0.00 0.00 57.07 55.70 1j0f s TYR 42 Cb -0.15 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.21 1j0f s TYR 42 CO 0.14 -1.03 -0.05 -1.14 -1.52 0.00 0.00 175.55 171.95 1j0f s GLN 43 N -3.57 1.19 -0.42 -3.49 0.74 0.17 -4.93 119.66 109.36 1j0f s GLN 43 Ca 0.28 -0.14 -0.28 0.00 0.05 0.00 0.00 55.36 55.26 1j0f s GLN 43 Cb 0.00 -1.31 0.00 0.00 1.10 0.00 0.00 33.01 32.80 1j0f s GLN 43 CO 0.14 -0.23 1.55 -1.17 -0.55 0.00 0.00 175.29 175.03 1j0f s LEU 44 N 1.62 3.53 -0.41 3.68 0.20 -1.26 -0.13 118.68 125.90 1j0f s LEU 44 Ca 0.02 0.88 -0.18 0.00 0.69 0.00 0.00 54.13 55.53 1j0f s LEU 44 Cb -0.13 -3.43 0.02 0.00 -0.43 0.00 0.00 46.19 42.22 1j0f s LEU 44 CO -0.05 -1.59 0.52 -0.69 -0.29 0.00 0.00 176.35 174.24 1j0f s VAL 45 N 6.11 4.99 -0.57 1.68 1.01 0.85 -4.91 120.40 129.56 1j0f s VAL 45 Ca 0.66 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 1j0f s VAL 45 Cb -0.16 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1j0f s VAL 45 CO 0.32 -0.44 1.20 -0.62 0.00 0.00 0.00 175.10 175.55 1j0f s ASP 46 N 1.87 6.45 0.15 3.32 -1.08 -1.26 -1.15 116.67 124.97 1j0f s ASP 46 Ca 0.17 0.14 -0.08 0.00 -0.52 0.00 0.00 52.55 52.25 1j0f s ASP 46 Cb -0.16 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 1j0f s ASP 46 CO 0.15 -1.47 1.43 0.16 0.52 0.00 0.00 175.17 175.96 1j0f h ILE 47 N 6.17 1.29 -0.11 4.11 3.07 -1.51 -3.20 117.51 127.32 1j0f h ILE 47 Ca -0.25 -1.79 0.04 0.00 1.55 0.00 0.00 64.86 64.41 1j0f h ILE 47 Cb 1.06 1.73 -0.05 0.00 -0.27 0.00 0.00 36.82 39.28 1j0f h ILE 47 CO 1.18 0.57 -0.21 -1.28 -1.05 0.00 0.00 178.15 177.36 1j0f h SER 48 N 0.56 -0.65 -0.49 2.16 0.87 -1.89 -2.80 113.55 111.30 1j0f h SER 48 Ca 0.00 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1j0f h SER 48 Cb 1.16 0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 63.36 1j0f h SER 48 CO 0.12 -0.26 -0.29 0.00 -0.53 0.00 0.00 176.83 175.87 1j0f n GLN 49 N -5.35 -0.21 -3.62 2.24 1.13 -1.21 -3.80 117.38 106.57 1j0f n GLN 49 Ca -0.03 1.22 -0.40 0.00 -1.94 0.00 0.00 57.00 55.85 1j0f n GLN 49 Cb 0.26 -1.80 -0.11 0.00 0.11 0.00 0.00 30.24 28.70 1j0f n GLN 49 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1j0f s ASP 50 N -4.25 5.68 0.32 1.08 2.15 -1.06 -4.95 116.67 115.64 1j0f s ASP 50 Ca -0.06 -0.75 0.08 0.00 0.43 0.00 0.00 52.55 52.26 1j0f s ASP 50 Cb 0.05 -2.02 0.81 0.00 -0.30 0.00 0.00 42.92 41.46 1j0f s ASP 50 CO 0.30 -0.29 1.78 -0.55 -0.17 0.00 0.00 175.17 176.24 1j0f h ASN 51 N 8.41 0.72 -0.33 -0.34 -1.07 -1.66 -0.18 115.58 121.13 1j0f h ASN 51 Ca -0.29 0.10 0.07 0.00 0.07 0.00 0.00 56.30 56.24 1j0f h ASN 51 Cb 1.13 -0.03 -0.08 0.00 -2.07 0.00 0.00 38.32 37.26 1j0f h ASN 51 CO 0.64 0.23 -0.39 0.00 0.07 0.00 0.00 177.43 177.99 1j0f h ALA 52 N 1.65 -0.38 -0.97 4.14 0.00 -1.93 -0.85 119.26 120.93 1j0f h ALA 52 Ca 0.58 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.67 1j0f h ALA 52 Cb 1.00 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.45 1j0f h ALA 52 CO -0.37 -0.83 -0.49 -0.07 0.00 0.00 0.00 179.25 177.49 1j0f h LEU 53 N -0.34 -1.81 -0.93 0.00 3.38 -1.25 1.11 115.31 115.47 1j0f h LEU 53 Ca 0.13 0.32 0.29 0.00 0.09 0.00 0.00 57.88 58.71 1j0f h LEU 53 Cb 0.58 0.85 -0.17 0.00 0.09 0.00 0.00 40.66 42.01 1j0f h LEU 53 CO -0.51 -0.26 0.15 -1.14 0.09 0.00 0.00 178.44 176.76 1j0f n ARG 54 N -5.36 -0.07 0.07 1.13 0.63 -0.34 0.65 116.66 113.37 1j0f n ARG 54 Ca 0.05 1.36 -0.04 0.00 -0.92 0.00 0.00 57.85 58.30 1j0f n ARG 54 Cb 0.33 -2.24 -0.02 0.00 0.45 0.00 0.00 32.46 30.98 1j0f n ARG 54 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1j0f h ASP 55 N 0.00 -0.23 -0.94 6.15 3.58 0.12 -2.94 116.42 122.15 1j0f h ASP 55 Ca 0.62 -0.01 0.11 0.00 0.42 0.00 0.00 57.03 58.18 1j0f h ASP 55 Cb 1.41 0.06 -0.13 0.00 1.72 0.00 0.00 39.33 42.39 1j0f h ASP 55 CO -0.83 0.24 -0.47 -0.62 -2.88 0.00 0.00 179.24 174.68 1j0f n GLU 56 N -4.96 -0.33 0.08 0.28 1.02 0.11 -0.53 120.64 116.31 1j0f n GLU 56 Ca -0.04 1.43 -0.15 0.00 -0.02 0.00 0.00 57.16 58.38 1j0f n GLU 56 Cb 0.12 -2.11 -0.09 0.00 -0.02 0.00 0.00 31.44 29.34 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1j0f h MET 57 N 0.00 -0.64 -0.71 3.49 4.05 0.08 0.16 114.93 121.35 1j0f h MET 57 Ca 0.22 0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.83 1j0f h MET 57 Cb 0.46 0.15 -0.13 0.00 -0.80 0.00 0.00 31.60 31.27 1j0f h MET 57 CO -0.90 -0.43 -0.24 0.00 0.23 0.00 0.00 176.91 175.57 1j0f h ARG 58 N -0.67 -0.05 0.37 0.39 3.08 -0.62 0.34 114.38 117.23 1j0f h ARG 58 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1j0f h ARG 58 Cb 0.71 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1j0f h ARG 58 CO -0.32 -0.03 -0.33 1.15 -1.07 0.00 0.00 179.97 179.37 1j0f h THR 59 N -0.05 0.32 -0.22 2.04 2.02 -0.03 0.26 112.91 117.25 1j0f h THR 59 Ca 0.32 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 1j0f h THR 59 Cb 0.55 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 1j0f h THR 59 CO -0.76 0.00 -0.49 -0.07 0.37 0.00 0.00 175.52 174.58 1j0f h LEU 60 N -0.71 -1.56 -0.47 2.58 3.38 0.97 -0.48 115.31 119.02 1j0f h LEU 60 Ca -0.03 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1j0f h LEU 60 Cb 0.63 0.63 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 1j0f h LEU 60 CO -0.04 -0.44 -0.16 0.00 0.09 0.00 0.00 178.44 177.89 1j0f h ALA 61 N 0.01 0.23 0.00 1.53 0.00 -0.19 -3.46 119.26 117.37 1j0f h ALA 61 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1j0f h ALA 61 Cb 0.64 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1j0f h ALA 61 CO -0.47 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 178.69 1j0f n GLY 62 N -1.38 1.00 3.60 0.00 0.00 0.73 -5.09 105.19 104.06 1j0f n GLY 62 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1j0f n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0f s ASN 63 N -2.00 -0.19 0.29 1.61 2.47 -0.14 -5.02 114.94 111.96 1j0f s ASN 63 Ca 0.00 0.30 0.14 0.00 0.42 0.00 0.00 52.86 53.72 1j0f s ASN 63 Cb 0.00 1.10 0.33 0.00 -1.45 0.00 0.00 41.25 41.23 1j0f s ASN 63 CO 0.00 -0.05 1.57 1.55 -3.72 0.00 0.00 177.10 176.45 1j0f h PRO 64 N 5.60 0.00 -1.49 0.43 0.13 -1.96 -3.14 132.00 131.57 1j0f h PRO 64 Ca -0.25 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.51 1j0f h PRO 64 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1j0f h PRO 64 CO 0.21 0.57 0.46 1.63 -0.23 0.00 0.00 178.00 180.64 1j0f n LYS 65 N -3.52 1.92 -3.06 0.86 4.76 -1.26 -4.91 118.16 112.95 1j0f n LYS 65 Ca -0.00 -1.78 -0.20 0.00 -2.87 0.00 0.00 58.31 53.47 1j0f n LYS 65 Cb 0.65 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 32.15 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j0f s ALA 66 N -2.02 4.15 0.15 7.82 0.00 -1.19 -5.13 121.76 125.54 1j0f s ALA 66 Ca 0.36 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 1j0f s ALA 66 Cb 0.28 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.60 1j0f s ALA 66 CO -0.02 -0.33 0.49 0.95 0.00 0.00 0.00 175.76 176.86 1j0f s THR 67 N -2.43 0.04 0.85 0.00 -4.23 -1.26 -4.98 115.64 103.62 1j0f s THR 67 Ca 0.51 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1j0f s THR 67 Cb -0.10 -1.19 0.10 0.00 1.34 0.00 0.00 72.50 72.65 1j0f s THR 67 CO 0.35 -0.17 1.11 -2.16 -0.54 0.00 0.00 174.62 173.21 1j0f s PRO 68 N -3.80 1.68 1.06 3.99 0.04 -1.26 -4.67 135.00 132.04 1j0f s PRO 68 Ca 0.03 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 1j0f s PRO 68 Cb 0.00 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.91 1j0f s PRO 68 CO -0.11 -1.87 1.17 -0.35 0.04 0.00 0.00 177.00 175.88 1j0f n PRO 69 N -3.57 -2.13 -3.58 0.56 -0.04 -1.26 -4.86 135.00 120.11 1j0f n PRO 69 Ca 0.07 -1.83 -0.03 0.00 -0.04 0.00 0.00 63.50 61.67 1j0f n PRO 69 Cb 0.58 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1j0f n PRO 69 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1j0f s GLN 70 N -5.59 0.49 -0.07 0.54 2.00 -0.93 -4.13 119.66 111.97 1j0f s GLN 70 Ca 0.70 1.24 -0.17 0.00 -2.00 0.00 0.00 55.36 55.14 1j0f s GLN 70 Cb -0.04 0.62 -0.05 0.00 0.80 0.00 0.00 33.01 34.34 1j0f s GLN 70 CO 0.51 -0.28 0.45 0.42 -0.50 0.00 0.00 175.29 175.89 1j0f s ILE 71 N 2.80 5.11 0.01 -2.34 1.09 -1.08 -0.27 121.20 126.52 1j0f s ILE 71 Ca -0.01 0.91 0.01 0.00 -1.10 0.00 0.00 60.65 60.47 1j0f s ILE 71 Cb -0.13 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1j0f s ILE 71 CO -0.17 0.42 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.35 1j0f s VAL 72 N -0.01 0.35 -0.33 2.92 1.01 0.34 -2.33 120.40 122.35 1j0f s VAL 72 Ca 0.25 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1j0f s VAL 72 Cb -0.16 -0.34 0.07 0.00 0.00 0.00 0.00 36.38 35.95 1j0f s VAL 72 CO 0.11 -0.06 0.05 0.20 0.00 0.00 0.00 175.10 175.40 1j0f s ASN 73 N -0.53 4.92 0.00 3.32 -0.87 0.56 0.01 114.94 122.35 1j0f s ASN 73 Ca -0.02 -1.61 0.00 0.00 -1.57 0.00 0.00 52.86 49.65 1j0f s ASN 73 Cb -0.04 -1.71 0.00 0.00 -0.02 0.00 0.00 41.25 39.48 1j0f s ASN 73 CO -0.00 -0.34 0.00 0.61 -2.57 0.00 0.00 177.10 174.80 1j0f n GLY 74 N 4.54 0.24 0.38 0.66 0.00 0.19 0.17 105.19 111.38 1j0f n GLY 74 Ca -0.08 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.58 1j0f n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j0f n ASN 75 N 1.88 0.79 -4.55 1.61 3.02 -1.26 -4.99 115.26 111.75 1j0f n ASN 75 Ca 0.00 -2.37 -0.29 0.00 -0.03 0.00 0.00 54.58 51.89 1j0f n ASN 75 Cb 0.00 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1j0f s HIS 76 N -0.95 2.66 -0.33 3.10 3.76 0.45 -5.11 115.29 118.87 1j0f s HIS 76 Ca 0.11 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.72 1j0f s HIS 76 Cb 0.10 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.40 1j0f s HIS 76 CO 0.01 0.42 0.17 -0.47 -0.85 0.00 0.00 174.74 174.02 1j0f s TYR 77 N -1.24 3.20 -0.01 1.40 5.04 -1.26 -0.32 117.35 124.15 1j0f s TYR 77 Ca 0.21 -0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1j0f s TYR 77 Cb -0.11 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.81 1j0f s TYR 77 CO 0.13 -0.50 0.30 0.00 -1.34 0.00 0.00 175.55 174.14 1j0f n GLY 79 N 1.11 -0.65 0.41 0.00 0.00 -1.21 -5.02 105.19 99.82 1j0f n GLY 79 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1j0f n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0f n ASP 80 N 0.00 1.72 -0.26 1.61 5.75 -1.26 -2.63 116.55 121.48 1j0f n ASP 80 Ca 0.00 -1.23 0.03 0.00 -0.01 0.00 0.00 54.79 53.58 1j0f n ASP 80 Cb 0.00 0.02 0.25 0.00 -1.03 0.00 0.00 41.12 40.36 1j0f n ASP 80 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1j0f h TYR 81 N 0.80 0.98 0.63 2.11 5.03 -1.93 -1.50 116.97 123.09 1j0f h TYR 81 Ca -0.04 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 1j0f h TYR 81 Cb 0.14 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.10 1j0f h TYR 81 CO 0.00 0.55 -0.32 0.93 -1.32 0.00 0.00 178.16 178.00 1j0f h GLU 82 N 1.00 -0.84 -0.83 1.82 4.39 -1.95 -0.87 114.58 117.29 1j0f h GLU 82 Ca 0.34 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.30 1j0f h GLU 82 Cb 0.09 0.19 -0.13 0.00 -0.10 0.00 0.00 28.75 28.80 1j0f h GLU 82 CO -0.11 -0.56 0.21 -0.07 -1.16 0.00 0.00 179.01 177.32 1j0f h LEU 83 N -0.87 -0.01 -0.39 1.33 4.07 -1.91 0.35 115.31 117.88 1j0f h LEU 83 Ca -0.09 0.18 0.07 0.00 0.08 0.00 0.00 57.88 58.12 1j0f h LEU 83 Cb 0.68 0.25 -0.06 0.00 1.08 0.00 0.00 40.66 42.60 1j0f h LEU 83 CO 0.13 -0.11 0.01 0.15 -1.08 0.00 0.00 178.44 177.54 1j0f h PHE 84 N 0.23 -0.01 -0.43 1.13 3.57 -1.01 -0.32 116.94 120.10 1j0f h PHE 84 Ca 0.50 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.99 1j0f h PHE 84 Cb 0.95 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1j0f h PHE 84 CO -0.27 -0.07 0.12 -0.24 -2.23 0.00 0.00 178.31 175.62 1j0f h VAL 85 N 0.11 1.22 -0.63 1.41 3.04 0.95 0.38 116.25 122.74 1j0f h VAL 85 Ca 0.19 -0.75 0.13 0.00 -1.01 0.00 0.00 66.70 65.26 1j0f h VAL 85 Cb 0.26 0.90 -0.10 0.00 -2.01 0.00 0.00 31.29 30.35 1j0f h VAL 85 CO -0.31 0.27 0.07 -0.33 -1.01 0.00 0.00 177.57 176.26 1j0f h GLU 86 N 0.55 0.18 0.25 4.17 5.08 0.46 0.47 114.58 125.75 1j0f h GLU 86 Ca 0.14 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1j0f h GLU 86 Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1j0f h GLU 86 CO -0.00 0.12 -0.12 0.00 -1.00 0.00 0.00 179.01 178.01 1j0f h ALA 87 N 1.55 -0.34 -1.00 3.43 0.00 -0.82 -2.06 119.26 120.02 1j0f h ALA 87 Ca 0.34 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.34 1j0f h ALA 87 Cb 0.54 0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.28 1j0f h ALA 87 CO -0.49 -0.36 -0.06 0.28 0.00 0.00 0.00 179.25 178.63 1j0f h VAL 88 N -1.00 0.00 -0.18 0.00 2.07 0.16 1.71 116.25 119.01 1j0f h VAL 88 Ca -0.03 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1j0f h VAL 88 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1j0f h VAL 88 CO 0.06 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 177.38 1j0f h GLU 89 N 0.00 0.28 0.00 1.57 5.08 -0.10 -1.64 114.58 119.76 1j0f h GLU 89 Ca 0.57 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1j0f h GLU 89 Cb 1.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1j0f h GLU 89 CO -0.97 0.38 0.00 1.04 -1.00 0.00 0.00 179.01 178.46 1j0f n GLN 90 N -4.83 0.03 -1.07 2.33 1.13 0.35 -4.82 117.38 110.51 1j0f n GLN 90 Ca -0.04 0.23 -0.02 0.00 -1.94 0.00 0.00 57.00 55.23 1j0f n GLN 90 Cb 0.14 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.98 1j0f n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1j0f n ASP 91 N -1.47 -3.84 -2.23 1.08 -0.08 0.49 -4.89 116.55 105.62 1j0f n ASP 91 Ca 0.04 0.06 -0.32 0.00 -1.51 0.00 0.00 54.79 53.06 1j0f n ASP 91 Cb 0.16 -1.55 0.07 0.00 2.34 0.00 0.00 41.12 42.14 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1j0f n THR 92 N -2.75 3.32 0.19 5.18 -2.24 -0.44 -4.58 114.28 112.97 1j0f n THR 92 Ca -0.02 -3.26 0.03 0.00 -2.27 0.00 0.00 64.05 58.53 1j0f n THR 92 Cb 0.17 -1.14 0.38 0.00 -2.10 0.00 0.00 70.33 67.64 1j0f n THR 92 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1j0f h LEU 93 N 2.02 0.00 -0.39 3.22 5.85 -1.87 -1.73 115.31 122.42 1j0f h LEU 93 Ca 0.54 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 59.09 1j0f h LEU 93 Cb 1.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1j0f h LEU 93 CO 1.35 0.36 -0.50 1.56 -0.34 0.00 0.00 178.44 180.88 1j0f h GLN 94 N 0.00 0.81 0.16 1.25 4.20 -1.93 -2.85 115.11 116.76 1j0f h GLN 94 Ca -0.00 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1j0f h GLN 94 Cb 0.68 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1j0f h GLN 94 CO 0.05 1.12 -0.08 0.93 -0.67 0.00 0.00 178.83 180.17 1j0f h GLU 95 N 0.63 -0.21 -0.72 1.46 5.08 -1.78 -3.12 114.58 115.92 1j0f h GLU 95 Ca 0.03 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.56 1j0f h GLU 95 Cb 1.08 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 1j0f h GLU 95 CO 0.11 0.12 -0.01 0.35 -1.00 0.00 0.00 179.01 178.57 1j0f h PHE 96 N -0.56 -0.08 -1.61 4.33 3.57 -1.36 -3.41 116.94 117.81 1j0f h PHE 96 Ca -0.02 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1j0f h PHE 96 Cb 0.43 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1j0f h PHE 96 CO 0.03 -0.23 0.00 1.28 -2.23 0.00 0.00 178.31 177.16 1j0f n LEU 97 N -5.35 0.00 -2.78 0.59 4.77 -1.08 -4.80 117.00 108.36 1j0f n LEU 97 Ca 0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 1j0f n LEU 97 Cb 0.44 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1j0f n LEU 97 CO 0.06 -0.59 1.08 1.17 -1.33 0.00 0.00 177.39 177.77 1j0f n LYS 98 N -0.97 3.02 -0.13 3.23 3.00 -1.26 -4.54 118.16 120.50 1j0f n LYS 98 Ca 0.00 -3.88 -0.27 0.00 -0.00 0.00 0.00 58.31 54.16 1j0f n LYS 98 Cb 0.00 -2.27 -0.09 0.00 0.00 0.00 0.00 35.03 32.67 1j0f n LYS 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j0f n LEU 99 N -0.51 1.88 0.00 3.14 4.77 -1.21 -4.99 117.00 120.08 1j0f n LEU 99 Ca 0.49 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1j0f n LEU 99 Cb 0.38 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1j0f n LEU 99 CO 0.45 0.56 0.10 0.00 -1.33 0.00 0.00 177.39 177.17