#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 0.30 -0.12 1.61 0.01 -1.26 -5.04 113.70 109.20 1j0f s SER 2 Ca 0.00 -0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.07 1j0f s SER 2 Cb 0.00 1.14 -0.02 0.00 0.21 0.00 0.00 66.02 67.34 1j0f s SER 2 CO 0.00 -0.33 -0.04 -0.33 0.41 0.00 0.00 173.24 172.95 1j0f h GLU 3 N 8.16 0.00 -5.75 12.44 5.08 -2.10 -3.45 114.58 128.97 1j0f h GLU 3 Ca -0.13 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.64 1j0f h GLU 3 Cb 1.13 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 1j0f h GLU 3 CO 0.27 0.05 0.17 0.20 -1.00 0.00 0.00 179.01 178.70 1j0f s GLY 4 N -3.86 2.11 -0.42 -3.84 0.00 -1.26 -4.99 107.32 95.06 1j0f s GLY 4 Ca -0.07 -0.17 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1j0f s GLY 4 CO 0.12 1.37 0.43 0.00 0.00 0.00 0.00 173.10 175.02 1j0f n ALA 5 N 4.97 2.08 -2.02 3.20 0.00 -1.26 -5.05 120.51 122.43 1j0f n ALA 5 Ca -0.00 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1j0f n ALA 5 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1j0f n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0f n ALA 6 N 2.58 -2.10 -3.77 0.00 0.00 -1.26 -4.96 120.51 111.00 1j0f n ALA 6 Ca 0.26 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.86 1j0f n ALA 6 Cb 0.50 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 1j0f n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j0f s THR 7 N -0.50 1.87 0.41 0.00 -4.23 -1.26 -5.10 115.64 106.83 1j0f s THR 7 Ca 0.00 -3.12 -0.24 0.00 -1.18 0.00 0.00 61.69 57.15 1j0f s THR 7 Cb 0.00 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.47 1j0f s THR 7 CO 0.00 -0.94 1.05 -0.04 -0.54 0.00 0.00 174.62 174.15 1j0f s MET 8 N -0.23 4.13 -0.12 3.99 -1.94 -1.26 -5.04 119.30 118.83 1j0f s MET 8 Ca 0.21 1.51 -0.33 0.00 -1.71 0.00 0.00 55.69 55.37 1j0f s MET 8 Cb -0.17 -2.51 0.13 0.00 2.01 0.00 0.00 34.83 34.29 1j0f s MET 8 CO -0.06 -0.17 1.12 -1.54 -0.01 0.00 0.00 175.02 174.36 1j0f s SER 9 N -1.58 -0.20 -0.62 3.03 1.04 -1.26 -5.09 113.70 109.01 1j0f s SER 9 Ca 0.58 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 57.05 1j0f s SER 9 Cb -0.22 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.30 1j0f s SER 9 CO 0.27 -0.36 0.47 0.61 0.98 0.00 0.00 173.24 175.22 1j0f n GLY 10 N -0.16 3.57 3.77 7.32 0.00 -1.26 -4.93 105.19 113.50 1j0f n GLY 10 Ca -0.03 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.15 4.32 0.01 0.99 2.96 -1.15 -0.77 118.68 123.89 1j0f s LEU 11 Ca 0.28 2.19 0.02 0.00 -0.22 0.00 0.00 54.13 56.40 1j0f s LEU 11 Cb -0.00 -3.93 -0.01 0.00 0.50 0.00 0.00 46.19 42.75 1j0f s LEU 11 CO -0.17 -0.38 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.28 1j0f s ARG 12 N -2.03 0.51 -0.35 1.98 0.52 0.14 0.44 118.95 120.16 1j0f s ARG 12 Ca 0.52 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1j0f s ARG 12 Cb -0.28 -0.43 0.10 0.00 0.52 0.00 0.00 34.95 34.87 1j0f s ARG 12 CO 0.35 0.11 0.07 0.08 0.02 0.00 0.00 175.30 175.93 1j0f s VAL 13 N -0.55 2.46 -0.79 3.52 1.01 0.11 -0.72 120.40 125.43 1j0f s VAL 13 Ca -0.01 -2.27 -0.25 0.00 0.00 0.00 0.00 61.98 59.44 1j0f s VAL 13 Cb -0.05 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1j0f s VAL 13 CO 0.00 -0.60 1.64 -0.31 0.00 0.00 0.00 175.10 175.84 1j0f s TYR 14 N 0.95 2.03 0.54 5.22 1.51 0.03 0.25 117.35 127.88 1j0f s TYR 14 Ca 0.10 0.20 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1j0f s TYR 14 Cb -0.20 -4.35 0.03 0.00 -0.11 0.00 0.00 41.96 37.34 1j0f s TYR 14 CO -0.07 -2.05 0.26 -1.13 -1.11 0.00 0.00 175.55 171.45 1j0f n SER 15 N 11.36 3.01 -4.24 2.29 3.41 0.13 -2.82 113.62 126.75 1j0f n SER 15 Ca 0.23 -3.04 -0.16 0.00 -0.26 0.00 0.00 58.87 55.64 1j0f n SER 15 Cb 0.50 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 1j0f n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j0f s THR 16 N -2.79 1.25 -0.19 6.66 -1.32 -1.26 0.15 115.64 118.14 1j0f s THR 16 Ca 0.20 -1.88 0.12 0.00 -1.21 0.00 0.00 61.69 58.92 1j0f s THR 16 Cb -0.02 -1.67 -0.23 0.00 -1.51 0.00 0.00 72.50 69.08 1j0f s THR 16 CO 0.13 -0.58 0.10 -0.24 -2.21 0.00 0.00 174.62 171.82 1j0f n SER 17 N 0.19 0.71 -4.20 8.08 2.88 -1.26 -4.90 113.62 115.12 1j0f n SER 17 Ca -0.13 0.04 -0.32 0.00 -1.33 0.00 0.00 58.87 57.13 1j0f n SER 17 Cb 0.59 0.41 -0.17 0.00 -0.75 0.00 0.00 64.21 64.29 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 -2.52 2.02 0.00 2.46 1.01 -1.26 -4.89 120.40 117.23 1j0f s VAL 18 Ca -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1j0f s VAL 18 Cb 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1j0f s VAL 18 CO 0.77 0.55 0.00 1.07 0.00 0.00 0.00 175.10 177.49 1j0f n THR 19 N 3.67 0.00 0.00 3.92 5.66 -1.26 -4.94 114.28 121.34 1j0f n THR 19 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1j0f n THR 19 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1j0f n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j0f n GLY 20 N -1.34 2.24 3.50 1.09 0.00 -1.26 -4.97 105.19 104.44 1j0f n GLY 20 Ca 0.00 -0.49 -0.47 0.00 0.00 0.00 0.00 46.02 45.06 1j0f n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0f n SER 21 N 1.67 2.47 -0.11 1.61 7.64 -1.26 -4.82 113.62 120.83 1j0f n SER 21 Ca 0.00 0.30 -0.06 0.00 1.01 0.00 0.00 58.87 60.11 1j0f n SER 21 Cb 0.00 -1.37 0.02 0.00 -1.01 0.00 0.00 64.21 61.85 1j0f n SER 21 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1j0f h ARG 22 N 13.59 0.30 -0.12 1.43 1.12 -2.00 -2.62 114.38 126.08 1j0f h ARG 22 Ca -0.31 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.56 1j0f h ARG 22 Cb 1.29 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 31.14 1j0f h ARG 22 CO 1.01 0.20 -0.33 0.93 -3.11 0.00 0.00 179.97 178.67 1j0f h GLU 23 N 0.31 -0.31 -0.14 0.20 5.08 -1.98 0.37 114.58 118.10 1j0f h GLU 23 Ca 0.16 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1j0f h GLU 23 Cb 0.12 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1j0f h GLU 23 CO -0.15 -0.21 -0.10 0.82 -1.00 0.00 0.00 179.01 178.38 1j0f h ILE 24 N -0.33 0.00 -0.90 3.13 2.04 -1.85 0.59 117.51 120.20 1j0f h ILE 24 Ca 0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.05 1j0f h ILE 24 Cb 0.40 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.32 1j0f h ILE 24 CO -0.29 0.00 -0.29 0.11 0.00 0.00 0.00 178.15 177.68 1j0f h LYS 25 N -0.02 -0.02 -0.40 2.37 1.57 -1.15 0.71 116.57 119.64 1j0f h LYS 25 Ca 0.02 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1j0f h LYS 25 Cb 0.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 1j0f h LYS 25 CO -0.14 -0.01 -0.13 0.77 -0.57 0.00 0.00 179.45 179.37 1j0f h SER 26 N -0.02 -0.45 -0.95 0.86 0.02 0.30 0.41 113.55 113.73 1j0f h SER 26 Ca 0.38 0.13 0.14 0.00 -0.84 0.00 0.00 61.79 61.61 1j0f h SER 26 Cb 0.63 0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.37 1j0f h SER 26 CO -0.92 -0.16 0.60 1.56 -1.14 0.00 0.00 176.83 176.77 1j0f h GLN 27 N -0.04 0.78 -0.26 3.45 4.20 0.55 1.06 115.11 124.85 1j0f h GLN 27 Ca 0.19 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.68 1j0f h GLN 27 Cb 0.33 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1j0f h GLN 27 CO -0.43 0.52 -0.55 1.96 -0.67 0.00 0.00 178.83 179.65 1j0f h GLN 28 N 0.81 0.80 -0.36 1.46 4.20 0.11 -2.34 115.11 119.79 1j0f h GLN 28 Ca 0.49 -0.51 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 1j0f h GLN 28 Cb 0.68 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1j0f h GLN 28 CO -0.25 1.14 -0.42 0.77 -0.67 0.00 0.00 178.83 179.40 1j0f h SER 29 N 0.61 0.98 0.35 1.46 0.02 0.18 -2.55 113.55 114.61 1j0f h SER 29 Ca 0.01 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1j0f h SER 29 Cb 1.15 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1j0f h SER 29 CO 0.12 1.26 -0.20 -0.33 -1.14 0.00 0.00 176.83 176.54 1j0f h GLU 30 N 0.73 -0.49 -0.62 3.45 5.08 0.11 0.47 114.58 123.32 1j0f h GLU 30 Ca 0.05 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1j0f h GLU 30 Cb 1.01 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 1j0f h GLU 30 CO 0.10 -0.32 -0.56 0.28 -1.00 0.00 0.00 179.01 177.51 1j0f h VAL 31 N -0.50 0.01 -1.04 3.13 2.07 -1.51 0.83 116.25 119.23 1j0f h VAL 31 Ca -0.05 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.75 1j0f h VAL 31 Cb 0.40 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 30.06 1j0f h VAL 31 CO 0.06 0.00 0.64 0.71 0.02 0.00 0.00 177.57 179.00 1j0f h THR 32 N -0.25 0.46 0.52 2.57 1.35 -1.42 0.37 112.91 116.51 1j0f h THR 32 Ca 0.11 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1j0f h THR 32 Cb 0.53 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1j0f h THR 32 CO -0.72 0.08 -0.28 -0.09 -0.25 0.00 0.00 175.52 174.26 1j0f h ARG 33 N 0.43 -0.71 0.46 4.72 2.43 0.29 0.32 114.38 122.32 1j0f h ARG 33 Ca 0.66 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.85 1j0f h ARG 33 Cb 1.51 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1j0f h ARG 33 CO -0.43 -0.47 -0.22 0.82 -1.51 0.00 0.00 179.97 178.16 1j0f h ILE 34 N -0.74 0.55 -1.01 1.20 5.03 0.42 0.21 117.51 123.17 1j0f h ILE 34 Ca -0.07 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.92 1j0f h ILE 34 Cb 0.58 0.55 -0.09 0.00 -3.03 0.00 0.00 36.82 34.83 1j0f h ILE 34 CO 0.10 0.00 0.65 -0.07 -0.68 0.00 0.00 178.15 178.15 1j0f h LEU 35 N -0.62 0.47 -0.11 1.44 4.07 -0.33 1.66 115.31 121.89 1j0f h LEU 35 Ca -0.06 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1j0f h LEU 35 Cb 0.47 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1j0f h LEU 35 CO 0.10 0.12 -0.12 -0.78 -1.08 0.00 0.00 178.44 176.68 1j0f h ASP 36 N 0.43 0.29 -0.27 -0.43 1.82 0.52 0.18 116.42 118.96 1j0f h ASP 36 Ca 0.57 -0.49 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1j0f h ASP 36 Cb 1.40 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 1j0f h ASP 36 CO -0.28 0.72 0.02 1.23 -1.61 0.00 0.00 179.24 179.33 1j0f h GLY 37 N -0.13 0.50 1.79 -0.78 0.00 0.28 -1.80 103.07 102.93 1j0f h GLY 37 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1j0f h GLY 37 CO 0.03 0.32 0.00 0.28 0.00 0.00 0.00 176.54 177.17 1j0f n LYS 38 N -4.64 0.11 -3.82 4.80 5.02 0.53 -4.85 118.16 115.31 1j0f n LYS 38 Ca -0.03 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.18 1j0f n LYS 38 Cb 0.23 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.40 -6.17 -2.73 1.97 5.12 -0.37 -4.94 116.66 108.14 1j0f n ARG 39 Ca 0.05 0.66 -0.32 0.00 -1.93 0.00 0.00 57.85 56.31 1j0f n ARG 39 Cb 0.15 -5.59 -0.05 0.00 -1.16 0.00 0.00 32.46 25.81 1j0f n ARG 39 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1j0f s ILE 40 N -3.33 4.51 -0.46 0.55 1.01 0.48 -5.01 121.20 118.96 1j0f s ILE 40 Ca 0.60 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 62.28 1j0f s ILE 40 Cb -0.29 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1j0f s ILE 40 CO 0.80 -0.44 0.75 -1.10 0.00 0.00 0.00 174.94 174.95 1j0f s GLN 41 N -3.50 3.34 0.25 2.79 -1.52 -1.26 -4.81 119.66 114.95 1j0f s GLN 41 Ca 0.59 -0.24 -0.09 0.00 -1.95 0.00 0.00 55.36 53.67 1j0f s GLN 41 Cb -0.10 -3.96 -0.01 0.00 -0.22 0.00 0.00 33.01 28.72 1j0f s GLN 41 CO 0.21 -1.13 0.41 1.52 -0.25 0.00 0.00 175.29 176.05 1j0f s TYR 42 N 3.18 0.62 -0.05 0.91 -0.85 -1.26 -2.94 117.35 116.96 1j0f s TYR 42 Ca 0.27 -0.94 -0.02 0.00 -0.52 0.00 0.00 57.07 55.86 1j0f s TYR 42 Cb -0.13 0.00 0.04 0.00 0.38 0.00 0.00 41.96 42.25 1j0f s TYR 42 CO 0.21 -0.94 0.09 -1.14 -1.52 0.00 0.00 175.55 172.25 1j0f s GLN 43 N -3.90 0.02 0.52 -3.49 0.74 0.17 -4.91 119.66 108.80 1j0f s GLN 43 Ca 0.27 0.33 -0.20 0.00 0.05 0.00 0.00 55.36 55.81 1j0f s GLN 43 Cb 0.01 -0.26 -0.07 0.00 1.10 0.00 0.00 33.01 33.79 1j0f s GLN 43 CO 0.11 -0.21 1.09 -0.51 -0.55 0.00 0.00 175.29 175.23 1j0f s LEU 44 N 1.40 3.78 -0.05 3.68 2.01 -1.26 0.06 118.68 128.30 1j0f s LEU 44 Ca -0.06 2.06 -0.00 0.00 0.01 0.00 0.00 54.13 56.14 1j0f s LEU 44 Cb -0.12 -4.57 0.03 0.00 0.01 0.00 0.00 46.19 41.53 1j0f s LEU 44 CO -0.05 -1.03 -0.00 -0.69 1.01 0.00 0.00 176.35 175.59 1j0f s VAL 45 N -1.88 0.32 -0.53 -1.59 1.01 0.14 -4.77 120.40 113.09 1j0f s VAL 45 Ca 0.70 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 1j0f s VAL 45 Cb -0.20 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1j0f s VAL 45 CO 0.24 0.22 0.91 -0.62 0.00 0.00 0.00 175.10 175.85 1j0f s ASP 46 N 1.54 6.35 0.05 3.32 2.15 -1.26 0.17 116.67 129.00 1j0f s ASP 46 Ca -0.02 -0.32 -0.18 0.00 0.43 0.00 0.00 52.55 52.46 1j0f s ASP 46 Cb -0.13 -2.43 -0.14 0.00 -0.30 0.00 0.00 42.92 39.92 1j0f s ASP 46 CO -0.03 -1.17 1.31 0.16 -0.17 0.00 0.00 175.17 175.27 1j0f h ILE 47 N 6.02 1.35 -1.03 4.11 3.07 -0.62 -3.04 117.51 127.37 1j0f h ILE 47 Ca -0.26 -1.54 0.26 0.00 1.55 0.00 0.00 64.86 64.87 1j0f h ILE 47 Cb 1.08 1.94 -0.11 0.00 -0.27 0.00 0.00 36.82 39.46 1j0f h ILE 47 CO 1.07 0.47 0.64 0.77 -1.05 0.00 0.00 178.15 180.04 1j0f h SER 48 N 0.13 0.56 -0.60 2.16 4.64 -1.90 -1.03 113.55 117.50 1j0f h SER 48 Ca 0.01 0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.51 1j0f h SER 48 Cb 0.89 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.92 1j0f h SER 48 CO 0.07 0.08 -0.56 -0.61 -0.87 0.00 0.00 176.83 174.94 1j0f h GLN 49 N 0.47 -0.25 -4.97 4.77 -0.00 -1.90 -3.36 115.11 109.88 1j0f h GLN 49 Ca 0.63 0.02 -0.67 0.00 -0.00 0.00 0.00 58.65 58.63 1j0f h GLN 49 Cb 1.41 0.06 -0.35 0.00 0.00 0.00 0.00 27.48 28.60 1j0f h GLN 49 CO -0.40 -0.16 -0.81 0.34 0.00 0.00 0.00 178.83 177.79 1j0f s ASP 50 N -5.17 3.80 0.46 -0.69 2.15 -0.39 -4.97 116.67 111.86 1j0f s ASP 50 Ca -0.13 -0.89 0.28 0.00 0.43 0.00 0.00 52.55 52.24 1j0f s ASP 50 Cb 0.09 -1.55 1.34 0.00 -0.30 0.00 0.00 42.92 42.50 1j0f s ASP 50 CO 0.61 -0.08 1.75 -0.55 -0.17 0.00 0.00 175.17 176.72 1j0f h ASN 51 N 7.92 0.24 0.01 -0.34 -1.07 -1.71 0.24 115.58 120.86 1j0f h ASN 51 Ca -0.36 0.06 0.03 0.00 0.07 0.00 0.00 56.30 56.11 1j0f h ASN 51 Cb 1.11 0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 37.33 1j0f h ASN 51 CO 0.58 0.01 -0.38 0.00 0.07 0.00 0.00 177.43 177.71 1j0f h ALA 52 N 1.52 -0.58 -0.95 4.14 0.00 -1.93 -2.00 119.26 119.45 1j0f h ALA 52 Ca 0.64 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.62 1j0f h ALA 52 Cb 2.04 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 20.36 1j0f h ALA 52 CO -0.21 -0.90 -0.51 -0.07 0.00 0.00 0.00 179.25 177.56 1j0f h LEU 53 N -0.54 -1.86 -0.91 0.00 3.38 -0.75 1.10 115.31 115.73 1j0f h LEU 53 Ca 0.05 0.31 0.30 0.00 0.09 0.00 0.00 57.88 58.63 1j0f h LEU 53 Cb 0.62 0.86 -0.17 0.00 0.09 0.00 0.00 40.66 42.06 1j0f h LEU 53 CO -0.29 -0.26 0.18 -1.14 0.09 0.00 0.00 178.44 177.01 1j0f n ARG 54 N -5.34 -0.07 0.03 1.13 0.63 -0.77 0.11 116.66 112.39 1j0f n ARG 54 Ca 0.05 1.33 -0.03 0.00 -0.92 0.00 0.00 57.85 58.28 1j0f n ARG 54 Cb 0.32 -2.20 -0.01 0.00 0.45 0.00 0.00 32.46 31.01 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 -0.15 -0.94 6.15 3.58 0.11 -2.89 116.42 122.29 1j0f h ASP 55 Ca 0.63 0.01 0.30 0.00 0.42 0.00 0.00 57.03 58.38 1j0f h ASP 55 Cb 1.45 0.04 -0.17 0.00 1.72 0.00 0.00 39.33 42.36 1j0f h ASP 55 CO -0.81 0.25 0.17 -0.62 -2.88 0.00 0.00 179.24 175.36 1j0f n GLU 56 N -4.45 -0.07 0.07 0.28 1.02 0.13 0.11 120.64 117.73 1j0f n GLU 56 Ca -0.02 1.37 -0.13 0.00 -0.02 0.00 0.00 57.16 58.36 1j0f n GLU 56 Cb 0.07 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.15 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 -0.11 -0.28 3.49 4.05 0.74 -0.31 114.93 122.50 1j0f h MET 57 Ca 0.64 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 60.13 1j0f h MET 57 Cb 1.46 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 32.22 1j0f h MET 57 CO -0.83 0.01 -0.18 0.00 0.23 0.00 0.00 176.91 176.14 1j0f h ARG 58 N -0.22 -0.15 0.17 0.39 3.08 0.95 0.16 114.38 118.76 1j0f h ARG 58 Ca -0.01 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1j0f h ARG 58 Cb 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1j0f h ARG 58 CO 0.02 -0.10 -0.22 1.15 -1.07 0.00 0.00 179.97 179.75 1j0f h THR 59 N -0.16 0.51 -0.29 2.04 2.02 -0.92 0.41 112.91 116.52 1j0f h THR 59 Ca 0.15 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.39 1j0f h THR 59 Cb 0.39 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 1j0f h THR 59 CO -0.38 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.05 1j0f h LEU 60 N -0.45 -1.27 0.32 2.58 3.38 -0.42 -1.93 115.31 117.52 1j0f h LEU 60 Ca 0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1j0f h LEU 60 Cb 0.44 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1j0f h LEU 60 CO -0.09 -0.38 -0.43 0.00 0.09 0.00 0.00 178.44 177.64 1j0f h ALA 61 N 0.40 -0.88 0.00 1.53 0.00 -0.39 -3.46 119.26 116.45 1j0f h ALA 61 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j0f h ALA 61 Cb 0.58 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j0f h ALA 61 CO -0.49 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 178.13 1j0f n GLY 62 N -1.50 0.91 3.65 0.00 0.00 0.13 -5.05 105.19 103.33 1j0f n GLY 62 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.40 -0.36 0.21 1.61 2.47 -0.52 -5.02 114.94 111.92 1j0f s ASN 63 Ca 0.00 0.60 0.07 0.00 0.42 0.00 0.00 52.86 53.94 1j0f s ASN 63 Cb 0.00 1.03 0.12 0.00 -1.45 0.00 0.00 41.25 40.95 1j0f s ASN 63 CO 0.00 -0.10 1.47 1.55 -3.72 0.00 0.00 177.10 176.30 1j0f h PRO 64 N 5.34 0.08 -1.08 0.43 0.13 -1.98 -3.05 132.00 131.88 1j0f h PRO 64 Ca -0.28 -0.08 -0.40 0.00 -0.87 0.00 0.00 66.00 64.38 1j0f h PRO 64 Cb 1.18 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 1j0f h PRO 64 CO 0.19 0.81 0.51 1.63 -0.23 0.00 0.00 178.00 180.91 1j0f n LYS 65 N -3.68 1.96 -2.50 0.86 4.76 -1.26 -4.94 118.16 113.37 1j0f n LYS 65 Ca -0.02 -2.16 -0.31 0.00 -2.87 0.00 0.00 58.31 52.95 1j0f n LYS 65 Cb 0.74 -1.85 -0.02 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.42 3.22 0.05 7.82 0.00 -1.15 -5.09 121.76 124.19 1j0f s ALA 66 Ca 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 1j0f s ALA 66 Cb 0.34 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1j0f s ALA 66 CO 0.05 -0.25 0.03 0.95 0.00 0.00 0.00 175.76 176.55 1j0f s THR 67 N -2.65 0.18 0.85 0.00 -4.23 -1.26 -4.93 115.64 103.60 1j0f s THR 67 Ca 0.54 -1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1j0f s THR 67 Cb -0.10 -1.29 0.10 0.00 1.34 0.00 0.00 72.50 72.55 1j0f s THR 67 CO 0.37 -0.83 1.12 -2.16 -0.54 0.00 0.00 174.62 172.58 1j0f s PRO 68 N -3.51 1.64 0.51 3.99 0.04 -1.26 -4.68 135.00 131.73 1j0f s PRO 68 Ca 0.03 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 1j0f s PRO 68 Cb 0.05 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.83 1j0f s PRO 68 CO -0.09 -1.89 0.57 -0.35 0.04 0.00 0.00 177.00 175.28 1j0f n PRO 69 N -3.59 -1.30 -3.37 0.56 -0.04 -1.26 -4.85 135.00 121.15 1j0f n PRO 69 Ca 0.07 -0.89 -0.01 0.00 -0.04 0.00 0.00 63.50 62.63 1j0f n PRO 69 Cb 0.58 -0.70 -0.04 0.00 -0.04 0.00 0.00 33.50 33.30 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 -4.26 0.52 -0.03 0.54 2.00 -1.13 -4.11 119.66 113.19 1j0f s GLN 70 Ca 0.34 1.07 -0.23 0.00 -2.00 0.00 0.00 55.36 54.55 1j0f s GLN 70 Cb -0.02 0.48 -0.04 0.00 0.80 0.00 0.00 33.01 34.22 1j0f s GLN 70 CO 0.25 -0.47 0.67 0.42 -0.50 0.00 0.00 175.29 175.67 1j0f s ILE 71 N 2.80 4.97 0.03 -2.34 1.09 -0.90 -0.79 121.20 126.06 1j0f s ILE 71 Ca 0.10 1.40 0.03 0.00 -1.10 0.00 0.00 60.65 61.08 1j0f s ILE 71 Cb -0.14 -4.01 -0.02 0.00 -1.06 0.00 0.00 42.46 37.23 1j0f s ILE 71 CO -0.19 0.32 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.19 1j0f s VAL 72 N 0.40 0.63 -0.29 2.92 1.01 0.10 -1.63 120.40 123.53 1j0f s VAL 72 Ca 0.35 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1j0f s VAL 72 Cb -0.18 -0.62 0.08 0.00 0.00 0.00 0.00 36.38 35.66 1j0f s VAL 72 CO 0.18 -0.15 -0.02 0.21 0.00 0.00 0.00 175.10 175.32 1j0f s ASN 73 N -1.05 4.48 0.00 3.32 3.84 0.15 0.27 114.94 125.96 1j0f s ASN 73 Ca -0.04 -1.71 0.00 0.00 0.21 0.00 0.00 52.86 51.33 1j0f s ASN 73 Cb -0.07 -1.50 0.00 0.00 -0.55 0.00 0.00 41.25 39.13 1j0f s ASN 73 CO 0.00 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 174.64 1j0f n GLY 74 N 4.41 0.24 0.23 1.21 0.00 0.05 0.19 105.19 111.51 1j0f n GLY 74 Ca -0.05 0.59 0.04 0.00 0.00 0.00 0.00 46.02 46.59 1j0f n GLY 74 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j0f n ASN 75 N 2.13 1.10 -4.66 1.61 2.85 -1.26 -5.04 115.26 111.98 1j0f n ASN 75 Ca 0.00 -2.31 -0.25 0.00 -0.11 0.00 0.00 54.58 51.91 1j0f n ASN 75 Cb 0.00 -0.25 -0.07 0.00 1.24 0.00 0.00 39.78 40.70 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1j0f s HIS 76 N -1.21 2.80 -0.27 1.20 3.76 0.50 -5.11 115.29 116.96 1j0f s HIS 76 Ca 0.12 -0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 54.82 1j0f s HIS 76 Cb 0.11 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.50 1j0f s HIS 76 CO 0.01 0.55 0.02 -0.47 -0.85 0.00 0.00 174.74 174.00 1j0f s TYR 77 N -1.95 3.10 -0.01 1.40 5.04 -1.26 -0.67 117.35 122.99 1j0f s TYR 77 Ca 0.29 -1.17 -0.02 0.00 -2.44 0.00 0.00 57.07 53.73 1j0f s TYR 77 Cb -0.08 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.05 1j0f s TYR 77 CO 0.19 -0.62 0.38 0.00 -1.34 0.00 0.00 175.55 174.16 1j0f n GLY 79 N 0.90 -0.77 3.99 0.00 0.00 -1.19 -4.98 105.19 103.15 1j0f n GLY 79 Ca -0.01 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 1j0f n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0f s ASP 80 N -4.00 5.10 0.27 1.61 1.47 -1.26 -2.12 116.67 117.73 1j0f s ASP 80 Ca 0.00 -0.27 -0.00 0.00 1.18 0.00 0.00 52.55 53.45 1j0f s ASP 80 Cb 0.00 -0.48 0.58 0.00 -0.34 0.00 0.00 42.92 42.68 1j0f s ASP 80 CO 0.00 -1.28 1.72 0.22 0.68 0.00 0.00 175.17 176.51 1j0f h TYR 81 N 0.04 0.58 -0.15 2.11 5.03 -1.91 -0.40 116.97 122.27 1j0f h TYR 81 Ca -0.39 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.01 1j0f h TYR 81 Cb 1.29 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.38 1j0f h TYR 81 CO 0.25 0.02 -0.17 0.93 -1.32 0.00 0.00 178.16 177.87 1j0f h GLU 82 N 0.44 -0.20 -0.40 1.82 4.39 -1.95 -1.35 114.58 117.34 1j0f h GLU 82 Ca 0.48 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.28 1j0f h GLU 82 Cb 0.82 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.44 1j0f h GLU 82 CO -0.46 -0.13 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.06 1j0f h LEU 83 N -0.20 -0.44 -0.13 1.33 4.07 -1.46 -0.48 115.31 118.00 1j0f h LEU 83 Ca 0.10 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.22 1j0f h LEU 83 Cb 0.36 0.27 -0.06 0.00 1.08 0.00 0.00 40.66 42.31 1j0f h LEU 83 CO -0.27 -0.16 -0.52 0.15 -1.08 0.00 0.00 178.44 176.55 1j0f h PHE 84 N -0.03 -1.55 -0.61 1.13 3.57 -0.60 0.19 116.94 119.03 1j0f h PHE 84 Ca 0.19 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.88 1j0f h PHE 84 Cb 0.33 0.69 -0.11 0.00 2.79 0.00 0.00 35.95 39.66 1j0f h PHE 84 CO -0.37 -0.54 -0.03 -0.24 -2.23 0.00 0.00 178.31 174.90 1j0f h VAL 85 N -0.58 0.48 -0.25 1.41 3.04 -0.64 0.69 116.25 120.39 1j0f h VAL 85 Ca 0.04 -0.03 0.06 0.00 -1.01 0.00 0.00 66.70 65.76 1j0f h VAL 85 Cb 0.68 0.38 -0.08 0.00 -2.01 0.00 0.00 31.29 30.26 1j0f h VAL 85 CO -0.43 0.02 -0.34 -0.33 -1.01 0.00 0.00 177.57 175.48 1j0f h GLU 86 N 0.09 -0.33 0.19 4.17 5.08 0.31 1.16 114.58 125.25 1j0f h GLU 86 Ca 0.31 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1j0f h GLU 86 Cb 0.50 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1j0f h GLU 86 CO -0.54 -0.22 -0.09 0.00 -1.00 0.00 0.00 179.01 177.16 1j0f h ALA 87 N 0.53 -0.25 -0.84 3.43 0.00 0.61 0.47 119.26 123.21 1j0f h ALA 87 Ca 0.13 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1j0f h ALA 87 Cb 0.55 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1j0f h ALA 87 CO -0.44 -0.61 0.38 0.28 0.00 0.00 0.00 179.25 178.86 1j0f h VAL 88 N -0.31 0.62 -0.34 0.00 2.07 0.11 1.04 116.25 119.43 1j0f h VAL 88 Ca -0.03 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1j0f h VAL 88 Cb 0.24 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1j0f h VAL 88 CO 0.04 0.09 -0.23 -0.33 0.02 0.00 0.00 177.57 177.17 1j0f h GLU 89 N 0.50 0.76 0.00 1.57 5.08 0.19 -2.35 114.58 120.32 1j0f h GLU 89 Ca 0.48 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1j0f h GLU 89 Cb 0.78 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1j0f h GLU 89 CO -0.43 0.98 0.00 1.04 -1.00 0.00 0.00 179.01 179.59 1j0f n GLN 90 N -4.27 0.88 -3.15 2.33 1.13 0.16 -4.85 117.38 109.61 1j0f n GLN 90 Ca -0.03 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.80 1j0f n GLN 90 Cb 0.44 -1.44 0.05 0.00 0.11 0.00 0.00 30.24 29.40 1j0f n GLN 90 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1j0f n ASP 91 N -0.94 -6.24 -1.26 1.08 8.00 0.31 -4.88 116.55 112.63 1j0f n ASP 91 Ca 0.18 -0.34 0.01 0.00 0.71 0.00 0.00 54.79 55.35 1j0f n ASP 91 Cb 0.08 -5.01 0.11 0.00 -0.02 0.00 0.00 41.12 36.29 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1j0f n THR 92 N -4.64 1.40 0.23 -3.53 -2.24 0.15 -4.78 114.28 100.87 1j0f n THR 92 Ca -0.09 -2.56 0.07 0.00 -2.27 0.00 0.00 64.05 59.20 1j0f n THR 92 Cb 0.61 0.22 0.57 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.27 0.03 -0.47 3.22 5.85 -1.87 -0.18 115.31 123.16 1j0f h LEU 93 Ca -0.05 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 1j0f h LEU 93 Cb 1.39 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1j0f h LEU 93 CO 0.14 0.09 -0.40 1.56 -0.34 0.00 0.00 178.44 179.49 1j0f h GLN 94 N 0.03 0.82 0.19 1.25 7.50 -1.92 -2.82 115.11 120.16 1j0f h GLN 94 Ca 0.01 -0.43 -0.01 0.00 0.50 0.00 0.00 58.65 58.71 1j0f h GLN 94 Cb 0.13 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.68 1j0f h GLN 94 CO 0.01 1.07 -0.09 0.93 -1.50 0.00 0.00 178.83 179.25 1j0f h GLU 95 N 0.67 -0.24 -0.81 1.46 5.08 -1.47 -2.81 114.58 116.45 1j0f h GLU 95 Ca 0.05 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.62 1j0f h GLU 95 Cb 0.97 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 1j0f h GLU 95 CO 0.09 0.14 -0.04 0.35 -1.00 0.00 0.00 179.01 178.55 1j0f h PHE 96 N -0.71 -0.14 -3.29 4.33 3.57 -1.12 -3.41 116.94 116.17 1j0f h PHE 96 Ca -0.03 0.06 -0.31 0.00 3.53 0.00 0.00 57.97 61.22 1j0f h PHE 96 Cb 0.50 0.19 0.13 0.00 2.79 0.00 0.00 35.95 39.56 1j0f h PHE 96 CO 0.06 -0.30 0.28 1.28 -2.23 0.00 0.00 178.31 177.40 1j0f n LEU 97 N -5.41 0.00 -2.59 0.59 4.77 -1.06 -4.78 117.00 108.52 1j0f n LEU 97 Ca 0.15 -1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 54.74 1j0f n LEU 97 Cb 0.51 -0.75 0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1j0f n LEU 97 CO 0.01 -1.28 1.50 1.17 -1.33 0.00 0.00 177.39 177.46 1j0f n LYS 98 N -3.18 2.60 -0.14 3.23 3.00 -1.26 -4.34 118.16 118.08 1j0f n LYS 98 Ca 0.12 -3.10 -0.28 0.00 -0.00 0.00 0.00 58.31 55.05 1j0f n LYS 98 Cb 0.42 -2.20 -0.10 0.00 0.00 0.00 0.00 35.03 33.15 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 -0.36 2.13 0.00 3.14 4.77 -1.22 -5.02 117.00 120.44 1j0f n LEU 99 Ca 0.54 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1j0f n LEU 99 Cb 0.44 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1j0f n LEU 99 CO 0.56 0.63 0.16 0.00 -1.33 0.00 0.00 177.39 177.41