#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 3.66 0.00 1.61 1.04 -1.26 -4.87 113.70 113.88 1j0f s SER 2 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1j0f s SER 2 Cb 0.00 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1j0f s SER 2 CO 0.00 -0.23 0.00 1.21 0.98 0.00 0.00 173.24 175.20 1j0f n GLU 3 N 4.72 0.00 -3.84 4.02 0.00 -1.26 -4.75 120.64 119.54 1j0f n GLU 3 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1j0f n GLU 3 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.89 1j0f n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j0f n GLY 4 N 0.00 -1.28 3.54 8.31 0.00 -1.26 -5.17 105.19 109.32 1j0f n GLY 4 Ca 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.00 -0.76 -0.16 4.61 0.00 -1.26 -5.10 121.76 118.08 1j0f s ALA 5 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1j0f s ALA 5 Cb 0.00 0.88 0.05 0.00 0.00 0.00 0.00 23.12 24.05 1j0f s ALA 5 CO 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 175.76 174.97 1j0f s ALA 6 N -3.91 0.93 -0.00 0.00 0.00 -1.26 -5.13 121.76 112.40 1j0f s ALA 6 Ca 0.12 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1j0f s ALA 6 Cb -0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1j0f s ALA 6 CO -0.00 -0.98 -0.17 -0.08 0.00 0.00 0.00 175.76 174.53 1j0f s THR 7 N 1.89 1.33 -0.11 0.00 -1.32 -1.26 -5.11 115.64 111.07 1j0f s THR 7 Ca 0.01 -0.80 -0.30 0.00 -1.21 0.00 0.00 61.69 59.39 1j0f s THR 7 Cb -0.16 -1.12 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1j0f s THR 7 CO -0.07 0.31 1.34 -0.32 -2.21 0.00 0.00 174.62 173.67 1j0f s MET 8 N -0.56 4.25 0.08 7.08 1.75 -1.26 -5.00 119.30 125.64 1j0f s MET 8 Ca 0.06 1.79 -0.06 0.00 -1.25 0.00 0.00 55.69 56.23 1j0f s MET 8 Cb -0.07 -3.74 -0.01 0.00 2.84 0.00 0.00 34.83 33.85 1j0f s MET 8 CO -0.00 -0.67 0.13 -1.54 -0.65 0.00 0.00 175.02 172.28 1j0f s SER 9 N 2.11 0.23 -0.45 1.11 1.04 -1.26 -5.10 113.70 111.37 1j0f s SER 9 Ca 0.59 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 56.33 1j0f s SER 9 Cb -0.25 0.30 0.24 0.00 0.10 0.00 0.00 66.02 66.41 1j0f s SER 9 CO 0.20 -0.70 0.56 0.61 0.98 0.00 0.00 173.24 174.90 1j0f n GLY 10 N -0.01 3.29 3.78 7.32 0.00 -1.26 -5.01 105.19 113.29 1j0f n GLY 10 Ca -0.14 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.41 4.22 -0.03 0.99 2.96 -1.25 0.33 118.68 124.49 1j0f s LEU 11 Ca 0.36 2.09 -0.01 0.00 -0.22 0.00 0.00 54.13 56.35 1j0f s LEU 11 Cb 0.15 -4.07 0.03 0.00 0.50 0.00 0.00 46.19 42.81 1j0f s LEU 11 CO -0.09 -0.43 0.05 -0.13 -1.32 0.00 0.00 176.35 174.43 1j0f s ARG 12 N -2.28 -0.05 -0.48 1.98 0.52 0.13 0.31 118.95 119.09 1j0f s ARG 12 Ca 0.55 0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 55.95 1j0f s ARG 12 Cb -0.24 -0.43 0.11 0.00 0.52 0.00 0.00 34.95 34.91 1j0f s ARG 12 CO 0.31 -0.27 0.37 0.08 0.02 0.00 0.00 175.30 175.80 1j0f s VAL 13 N 1.78 4.55 -0.70 3.52 1.01 0.76 -0.51 120.40 130.81 1j0f s VAL 13 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 61.98 60.14 1j0f s VAL 13 Cb -0.12 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1j0f s VAL 13 CO -0.03 -0.73 1.50 -0.31 0.00 0.00 0.00 175.10 175.53 1j0f s TYR 14 N 1.46 2.06 0.03 5.22 1.51 0.46 -0.69 117.35 127.39 1j0f s TYR 14 Ca 0.04 0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.41 1j0f s TYR 14 Cb -0.26 -4.43 -0.02 0.00 -0.11 0.00 0.00 41.96 37.13 1j0f s TYR 14 CO 0.01 -2.16 -0.18 -1.12 -1.11 0.00 0.00 175.55 171.00 1j0f s SER 15 N 5.39 2.16 -0.08 2.29 0.01 -0.15 -2.22 113.70 121.09 1j0f s SER 15 Ca 0.47 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 1j0f s SER 15 Cb -0.09 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1j0f s SER 15 CO 0.16 0.13 0.15 0.28 0.41 0.00 0.00 173.24 174.38 1j0f s THR 16 N -0.75 5.48 -0.16 1.44 -1.32 -1.26 -2.92 115.64 116.15 1j0f s THR 16 Ca 0.06 0.10 -0.17 0.00 -1.21 0.00 0.00 61.69 60.46 1j0f s THR 16 Cb -0.08 -3.45 -0.14 0.00 -1.51 0.00 0.00 72.50 67.33 1j0f s THR 16 CO 0.01 0.53 0.20 -1.28 -2.21 0.00 0.00 174.62 171.87 1j0f h SER 17 N 4.61 0.00 -3.59 8.08 0.87 -1.95 -3.44 113.55 118.13 1j0f h SER 17 Ca -0.53 -0.41 -0.62 0.00 -1.23 0.00 0.00 61.79 59.00 1j0f h SER 17 Cb 1.22 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.06 1j0f h SER 17 CO 0.61 1.05 0.39 -0.69 -0.53 0.00 0.00 176.83 177.66 1j0f s VAL 18 N -2.18 4.67 -0.30 2.23 1.01 -1.26 -4.98 120.40 119.59 1j0f s VAL 18 Ca -0.19 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1j0f s VAL 18 Cb 0.02 -4.28 0.14 0.00 0.00 0.00 0.00 36.38 32.26 1j0f s VAL 18 CO 0.43 -0.61 0.69 0.28 0.00 0.00 0.00 175.10 175.90 1j0f s THR 19 N 3.25 -0.93 0.12 3.92 -1.32 -1.26 -4.98 115.64 114.44 1j0f s THR 19 Ca 0.31 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.55 1j0f s THR 19 Cb -0.12 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.80 1j0f s THR 19 CO 0.21 0.00 1.67 1.23 -2.21 0.00 0.00 174.62 175.52 1j0f h GLY 20 N 7.94 -0.21 -4.55 6.08 0.00 -2.01 -3.42 103.07 106.89 1j0f h GLY 20 Ca -0.18 0.19 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1j0f h GLY 20 CO 0.10 -0.16 0.51 -1.26 0.00 0.00 0.00 176.54 175.74 1j0f n SER 21 N -5.29 2.49 -0.01 0.19 2.88 -1.26 -4.91 113.62 107.71 1j0f n SER 21 Ca -0.05 1.16 -0.18 0.00 -1.33 0.00 0.00 58.87 58.47 1j0f n SER 21 Cb 0.21 -1.41 -0.14 0.00 -0.75 0.00 0.00 64.21 62.12 1j0f n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j0f n ARG 22 N 1.53 0.73 -0.31 -1.46 3.00 -1.26 -4.14 116.66 114.75 1j0f n ARG 22 Ca 0.10 0.26 0.11 0.00 -0.01 0.00 0.00 57.85 58.31 1j0f n ARG 22 Cb 0.32 -1.72 0.27 0.00 0.00 0.00 0.00 32.46 31.34 1j0f n ARG 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1j0f h GLU 23 N 0.05 0.55 0.24 5.56 3.07 -1.97 -1.13 114.58 120.95 1j0f h GLU 23 Ca -0.40 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.42 1j0f h GLU 23 Cb 2.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.80 1j0f h GLU 23 CO 0.08 0.36 -0.26 0.82 -1.40 0.00 0.00 179.01 178.61 1j0f h ILE 24 N 0.56 0.00 -0.77 3.13 2.04 -1.90 -1.40 117.51 119.17 1j0f h ILE 24 Ca 0.52 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.47 1j0f h ILE 24 Cb 0.85 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.82 1j0f h ILE 24 CO -0.43 0.00 -0.50 0.11 0.00 0.00 0.00 178.15 177.33 1j0f h LYS 25 N -0.50 -0.13 -0.99 2.37 1.57 -1.53 0.17 116.57 117.52 1j0f h LYS 25 Ca -0.03 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1j0f h LYS 25 Cb 0.44 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.64 1j0f h LYS 25 CO -0.04 -0.09 -0.50 0.77 -0.57 0.00 0.00 179.45 179.02 1j0f h SER 26 N -0.14 -1.85 -0.65 0.86 0.02 -0.97 0.96 113.55 111.79 1j0f h SER 26 Ca 0.18 0.32 0.12 0.00 -0.84 0.00 0.00 61.79 61.58 1j0f h SER 26 Cb 0.52 0.87 -0.09 0.00 0.14 0.00 0.00 62.40 63.84 1j0f h SER 26 CO -0.81 -0.26 0.17 1.56 -1.14 0.00 0.00 176.83 176.35 1j0f h GLN 27 N -0.01 0.29 0.76 3.45 4.20 0.39 0.49 115.11 124.69 1j0f h GLN 27 Ca 0.24 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 1j0f h GLN 27 Cb 0.49 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1j0f h GLN 27 CO -0.96 0.19 -0.37 1.96 -0.67 0.00 0.00 178.83 178.99 1j0f h GLN 28 N 0.30 -0.99 -0.96 1.46 4.20 0.20 0.10 115.11 119.43 1j0f h GLN 28 Ca 0.35 0.07 0.24 0.00 0.06 0.00 0.00 58.65 59.36 1j0f h GLN 28 Cb 0.52 0.22 -0.12 0.00 0.30 0.00 0.00 27.48 28.40 1j0f h GLN 28 CO -0.41 -0.66 0.51 0.77 -0.67 0.00 0.00 178.83 178.37 1j0f h SER 29 N -1.10 0.53 0.29 1.46 0.02 0.76 -0.06 113.55 115.45 1j0f h SER 29 Ca -0.10 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1j0f h SER 29 Cb 0.79 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1j0f h SER 29 CO 0.17 0.06 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.45 1j0f h GLU 30 N 0.50 -0.38 -0.99 3.45 4.39 0.19 0.15 114.58 121.89 1j0f h GLU 30 Ca 0.61 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.45 1j0f h GLU 30 Cb 1.17 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.77 1j0f h GLU 30 CO -0.50 -0.25 -0.50 0.28 -1.16 0.00 0.00 179.01 176.88 1j0f n VAL 31 N -3.15 -0.61 -0.27 3.13 0.31 0.33 0.14 118.33 118.21 1j0f n VAL 31 Ca -0.05 2.37 0.04 0.00 -0.01 0.00 0.00 64.34 66.69 1j0f n VAL 31 Cb 0.15 -3.01 0.18 0.00 -0.91 0.00 0.00 33.84 30.26 1j0f n VAL 31 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1j0f h THR 32 N 0.00 0.80 0.05 2.52 1.35 -1.03 0.25 112.91 116.85 1j0f h THR 32 Ca 0.24 -0.22 0.02 0.00 -0.55 0.00 0.00 66.41 65.90 1j0f h THR 32 Cb 0.48 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 1j0f h THR 32 CO -0.95 0.12 -0.21 -0.09 -0.25 0.00 0.00 175.52 174.14 1j0f h ARG 33 N 0.63 -0.34 -0.27 4.72 2.43 0.42 1.06 114.38 123.03 1j0f h ARG 33 Ca 0.40 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.61 1j0f h ARG 33 Cb 0.49 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1j0f h ARG 33 CO -0.31 -0.23 0.16 0.82 -1.51 0.00 0.00 179.97 178.90 1j0f h ILE 34 N -0.36 1.04 -0.55 1.20 2.04 0.23 0.36 117.51 121.48 1j0f h ILE 34 Ca 0.04 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1j0f h ILE 34 Cb 0.41 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1j0f h ILE 34 CO -0.15 0.06 0.30 -0.07 0.00 0.00 0.00 178.15 178.29 1j0f h LEU 35 N 0.33 0.45 -0.23 1.44 3.38 -0.03 0.77 115.31 121.43 1j0f h LEU 35 Ca 0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1j0f h LEU 35 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1j0f h LEU 35 CO -0.04 0.31 0.13 -0.78 0.09 0.00 0.00 178.44 178.15 1j0f h ASP 36 N 0.58 0.27 -0.33 -0.43 3.58 0.18 0.19 116.42 120.47 1j0f h ASP 36 Ca 0.23 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1j0f h ASP 36 Cb 0.11 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1j0f h ASP 36 CO -0.14 0.26 0.18 1.23 -2.88 0.00 0.00 179.24 177.88 1j0f h GLY 37 N 0.27 0.49 2.00 -0.78 0.00 0.46 -0.52 103.07 104.99 1j0f h GLY 37 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1j0f h GLY 37 CO -0.01 0.21 0.00 0.28 0.00 0.00 0.00 176.54 177.02 1j0f n LYS 38 N -4.79 0.01 -3.34 4.80 5.02 0.26 -4.85 118.16 115.27 1j0f n LYS 38 Ca -0.01 0.28 -0.21 0.00 -2.02 0.00 0.00 58.31 56.35 1j0f n LYS 38 Cb 0.08 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.52 -6.46 -2.98 1.97 5.12 0.35 -4.96 116.66 108.17 1j0f n ARG 39 Ca 0.03 0.77 -0.40 0.00 -1.93 0.00 0.00 57.85 56.33 1j0f n ARG 39 Cb 0.15 -5.54 -0.06 0.00 -1.16 0.00 0.00 32.46 25.85 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 -3.24 4.47 -0.30 0.55 1.01 0.41 -5.02 121.20 119.08 1j0f s ILE 40 Ca 0.46 1.69 -0.24 0.00 0.00 0.00 0.00 60.65 62.56 1j0f s ILE 40 Cb -0.20 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1j0f s ILE 40 CO 0.57 0.47 0.81 -1.58 0.00 0.00 0.00 174.94 175.22 1j0f s GLN 41 N -0.82 4.01 0.30 2.79 0.74 -1.26 -4.73 119.66 120.69 1j0f s GLN 41 Ca 0.37 0.68 -0.01 0.00 0.05 0.00 0.00 55.36 56.44 1j0f s GLN 41 Cb -0.22 -3.71 0.01 0.00 1.10 0.00 0.00 33.01 30.18 1j0f s GLN 41 CO 0.25 -0.66 0.41 2.48 -0.55 0.00 0.00 175.29 177.22 1j0f n TYR 42 N 6.21 -1.26 -3.80 1.67 0.18 -1.26 -3.95 117.16 114.94 1j0f n TYR 42 Ca 0.04 -2.03 -0.25 0.00 1.88 0.00 0.00 57.90 57.55 1j0f n TYR 42 Cb 0.48 0.46 -0.17 0.00 -0.38 0.00 0.00 39.34 39.72 1j0f n TYR 42 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1j0f s GLN 43 N -2.71 0.84 -0.40 -3.48 0.74 0.15 -4.91 119.66 109.89 1j0f s GLN 43 Ca 0.25 -0.08 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 1j0f s GLN 43 Cb -0.01 -1.32 0.00 0.00 1.10 0.00 0.00 33.01 32.78 1j0f s GLN 43 CO 0.18 -0.35 1.51 -1.17 -0.55 0.00 0.00 175.29 174.91 1j0f s LEU 44 N 1.89 3.55 -0.25 3.68 2.96 -1.26 -0.17 118.68 129.07 1j0f s LEU 44 Ca 0.04 0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 54.72 1j0f s LEU 44 Cb -0.13 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1j0f s LEU 44 CO -0.06 -1.53 0.31 -0.69 -1.32 0.00 0.00 176.35 173.05 1j0f s VAL 45 N 5.88 5.24 -0.50 1.68 1.01 0.13 -4.92 120.40 128.92 1j0f s VAL 45 Ca 0.66 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 1j0f s VAL 45 Cb -0.16 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1j0f s VAL 45 CO 0.32 0.23 0.73 -0.62 0.00 0.00 0.00 175.10 175.77 1j0f s ASP 46 N 1.42 6.29 0.21 3.32 2.15 -1.26 -0.98 116.67 127.83 1j0f s ASP 46 Ca 0.13 -0.57 0.26 0.00 0.43 0.00 0.00 52.55 52.80 1j0f s ASP 46 Cb -0.15 -2.35 0.87 0.00 -0.30 0.00 0.00 42.92 40.99 1j0f s ASP 46 CO 0.09 -0.97 1.77 2.30 -0.17 0.00 0.00 175.17 178.18 1j0f n ILE 47 N 5.87 0.62 0.14 4.11 -5.35 -1.15 -2.69 119.36 120.93 1j0f n ILE 47 Ca -0.02 -0.16 0.02 0.00 -0.27 0.00 0.00 62.75 62.32 1j0f n ILE 47 Cb 0.47 -0.71 0.08 0.00 -1.74 0.00 0.00 39.64 37.73 1j0f n ILE 47 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1j0f h SER 48 N 0.00 0.00 -0.33 7.28 4.64 -1.89 -3.25 113.55 119.99 1j0f h SER 48 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1j0f h SER 48 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1j0f h SER 48 CO 0.00 0.54 0.16 1.56 -0.87 0.00 0.00 176.83 178.22 1j0f h GLN 49 N 0.00 0.48 -4.50 4.77 1.08 -1.89 -3.42 115.11 111.63 1j0f h GLN 49 Ca -0.01 -0.07 -0.51 0.00 -1.45 0.00 0.00 58.65 56.61 1j0f h GLN 49 Cb 1.33 -0.09 -0.34 0.00 -0.05 0.00 0.00 27.48 28.33 1j0f h GLN 49 CO 0.07 0.44 -0.81 0.34 -0.95 0.00 0.00 178.83 177.92 1j0f s ASP 50 N -5.70 1.76 0.35 1.46 -1.08 -1.23 -5.01 116.67 107.23 1j0f s ASP 50 Ca -0.13 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.63 1j0f s ASP 50 Cb 0.09 -0.81 0.65 0.00 -1.46 0.00 0.00 42.92 41.39 1j0f s ASP 50 CO 0.73 0.02 2.01 -1.13 0.52 0.00 0.00 175.17 177.32 1j0f h ASN 51 N 7.07 0.71 -0.28 -0.34 -1.24 -1.82 -2.36 115.58 117.33 1j0f h ASN 51 Ca -0.31 -0.02 0.07 0.00 0.71 0.00 0.00 56.30 56.74 1j0f h ASN 51 Cb 1.18 -0.18 -0.08 0.00 0.73 0.00 0.00 38.32 39.98 1j0f h ASN 51 CO 0.47 0.52 -0.30 0.00 -1.29 0.00 0.00 177.43 176.83 1j0f h ALA 52 N 1.61 -0.23 -0.99 1.57 0.00 -1.95 -1.55 119.26 117.72 1j0f h ALA 52 Ca 0.23 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1j0f h ALA 52 Cb -0.09 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1j0f h ALA 52 CO -0.05 -0.73 -0.56 -0.07 0.00 0.00 0.00 179.25 177.83 1j0f h LEU 53 N -0.30 -2.07 -0.91 0.00 3.38 -1.69 1.10 115.31 114.82 1j0f h LEU 53 Ca 0.14 0.33 0.28 0.00 0.09 0.00 0.00 57.88 58.72 1j0f h LEU 53 Cb 0.52 0.93 -0.17 0.00 0.09 0.00 0.00 40.66 42.03 1j0f h LEU 53 CO -0.44 -0.24 0.13 -1.14 0.09 0.00 0.00 178.44 176.83 1j0f n ARG 54 N -5.28 -0.07 0.08 1.13 0.63 -0.59 0.96 116.66 113.51 1j0f n ARG 54 Ca 0.03 1.34 -0.04 0.00 -0.92 0.00 0.00 57.85 58.26 1j0f n ARG 54 Cb 0.28 -2.19 -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 -0.22 -0.93 6.15 3.58 0.11 -2.64 116.42 122.48 1j0f h ASP 55 Ca 0.60 0.01 0.12 0.00 0.42 0.00 0.00 57.03 58.18 1j0f h ASP 55 Cb 1.35 0.06 -0.13 0.00 1.72 0.00 0.00 39.33 42.32 1j0f h ASP 55 CO -0.82 0.10 -0.44 -0.62 -2.88 0.00 0.00 179.24 174.58 1j0f n GLU 56 N -4.12 -0.30 0.13 0.28 -0.58 0.13 0.39 120.64 116.57 1j0f n GLU 56 Ca -0.03 1.41 -0.12 0.00 -0.42 0.00 0.00 57.16 58.00 1j0f n GLU 56 Cb 0.10 -2.09 -0.07 0.00 -0.57 0.00 0.00 31.44 28.81 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1j0f h MET 57 N 0.00 -0.57 -0.88 3.49 4.05 0.47 0.18 114.93 121.66 1j0f h MET 57 Ca 0.25 0.04 0.24 0.00 -0.28 0.00 0.00 59.70 59.94 1j0f h MET 57 Cb 0.48 0.13 -0.14 0.00 -0.80 0.00 0.00 31.60 31.27 1j0f h MET 57 CO -0.90 -0.38 0.27 0.00 0.23 0.00 0.00 176.91 176.13 1j0f h ARG 58 N -0.59 0.23 -0.39 0.39 3.08 -0.66 0.45 114.38 116.88 1j0f h ARG 58 Ca -0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1j0f h ARG 58 Cb 0.55 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1j0f h ARG 58 CO -0.13 0.15 0.24 1.15 -1.07 0.00 0.00 179.97 180.31 1j0f h THR 59 N 0.23 1.12 -0.13 2.04 2.02 0.72 0.27 112.91 119.18 1j0f h THR 59 Ca 0.56 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1j0f h THR 59 Cb 1.13 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1j0f h THR 59 CO -0.64 0.12 -0.16 -0.07 0.37 0.00 0.00 175.52 175.14 1j0f h LEU 60 N 0.52 -0.50 -1.45 2.58 3.38 0.29 0.10 115.31 120.21 1j0f h LEU 60 Ca 0.14 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1j0f h LEU 60 Cb -0.02 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1j0f h LEU 60 CO -0.03 -0.21 0.15 0.00 0.09 0.00 0.00 178.44 178.44 1j0f h ALA 61 N 0.85 1.57 0.00 1.53 0.00 -0.82 -3.47 119.26 118.92 1j0f h ALA 61 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j0f h ALA 61 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1j0f h ALA 61 CO -0.25 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1j0f n GLY 62 N -1.22 1.50 3.60 0.00 0.00 0.75 -5.09 105.19 104.73 1j0f n GLY 62 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.25 -0.83 0.32 1.61 2.47 -0.01 -5.00 114.94 111.26 1j0f s ASN 63 Ca 0.00 1.43 0.16 0.00 0.42 0.00 0.00 52.86 54.87 1j0f s ASN 63 Cb 0.00 1.36 0.42 0.00 -1.45 0.00 0.00 41.25 41.57 1j0f s ASN 63 CO 0.00 -0.24 1.61 1.55 -3.72 0.00 0.00 177.10 176.30 1j0f h PRO 64 N 6.25 0.00 -1.11 0.43 0.13 -1.97 -3.01 132.00 132.71 1j0f h PRO 64 Ca -0.30 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.48 1j0f h PRO 64 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1j0f h PRO 64 CO 0.13 0.48 0.45 1.63 -0.23 0.00 0.00 178.00 180.46 1j0f n LYS 65 N -3.45 1.86 -2.84 0.86 4.76 -1.26 -4.69 118.16 113.39 1j0f n LYS 65 Ca 0.00 -1.92 -0.43 0.00 -2.87 0.00 0.00 58.31 53.09 1j0f n LYS 65 Cb 0.61 -1.75 0.01 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 n ALA 66 N -0.37 4.94 -1.19 7.82 0.00 -1.14 -5.02 120.51 125.55 1j0f n ALA 66 Ca 0.38 -4.57 -0.31 0.00 0.00 0.00 0.00 53.44 48.94 1j0f n ALA 66 Cb 1.05 -2.65 0.11 0.00 0.00 0.00 0.00 19.45 17.96 1j0f n ALA 66 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j0f s THR 67 N -1.05 3.09 0.85 0.00 -4.23 -1.26 -4.70 115.64 108.33 1j0f s THR 67 Ca 0.35 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 61.10 1j0f s THR 67 Cb 0.03 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 71.17 1j0f s THR 67 CO 0.03 -0.46 1.12 -2.16 -0.54 0.00 0.00 174.62 172.61 1j0f s PRO 68 N -4.88 1.66 1.01 3.99 0.04 -1.26 -4.64 135.00 130.91 1j0f s PRO 68 Ca 0.62 0.48 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1j0f s PRO 68 Cb -0.18 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1j0f s PRO 68 CO 0.56 -1.88 1.19 -1.25 0.04 0.00 0.00 177.00 175.66 1j0f s PRO 69 N -5.21 0.27 -0.23 0.56 0.04 -1.26 -4.88 135.00 124.29 1j0f s PRO 69 Ca 0.62 -0.04 -0.04 0.00 0.04 0.00 0.00 61.00 61.58 1j0f s PRO 69 Cb -0.15 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.75 1j0f s PRO 69 CO 0.54 -2.72 0.41 -0.65 0.04 0.00 0.00 177.00 174.62 1j0f s GLN 70 N -5.52 0.35 -0.03 4.56 1.11 -0.94 -3.85 119.66 115.34 1j0f s GLN 70 Ca 0.69 0.77 -0.21 0.00 0.01 0.00 0.00 55.36 56.62 1j0f s GLN 70 Cb -0.10 -0.08 -0.05 0.00 -1.01 0.00 0.00 33.01 31.77 1j0f s GLN 70 CO 0.54 -0.49 0.61 0.42 0.01 0.00 0.00 175.29 176.39 1j0f s ILE 71 N 2.60 4.98 -0.00 1.08 1.09 -0.52 -0.41 121.20 130.02 1j0f s ILE 71 Ca 0.08 1.27 0.02 0.00 -1.10 0.00 0.00 60.65 60.92 1j0f s ILE 71 Cb -0.14 -3.95 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1j0f s ILE 71 CO -0.15 0.36 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.28 1j0f s VAL 72 N 0.19 0.58 -0.34 2.92 1.01 0.34 -1.98 120.40 123.12 1j0f s VAL 72 Ca 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1j0f s VAL 72 Cb -0.18 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.78 1j0f s VAL 72 CO 0.17 0.12 0.07 0.21 0.00 0.00 0.00 175.10 175.67 1j0f s ASN 73 N -0.29 4.99 0.00 3.32 3.84 0.15 0.22 114.94 127.17 1j0f s ASN 73 Ca 0.02 -1.63 0.00 0.00 0.21 0.00 0.00 52.86 51.46 1j0f s ASN 73 Cb -0.03 -1.74 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 1j0f s ASN 73 CO -0.00 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 174.55 1j0f n GLY 74 N 4.57 0.24 0.00 1.21 0.00 0.15 0.19 105.19 111.54 1j0f n GLY 74 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1j0f n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j0f n ASN 75 N 1.95 0.81 -4.94 1.61 0.23 -1.26 -5.02 115.26 108.64 1j0f n ASN 75 Ca 0.00 -1.35 -0.27 0.00 -0.53 0.00 0.00 54.58 52.42 1j0f n ASN 75 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1j0f s HIS 76 N -0.35 3.49 -0.39 -2.53 3.76 0.49 -5.08 115.29 114.68 1j0f s HIS 76 Ca 0.00 0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 55.02 1j0f s HIS 76 Cb 0.00 -1.72 0.07 0.00 1.11 0.00 0.00 32.58 32.04 1j0f s HIS 76 CO 0.00 0.51 0.21 -0.47 -0.85 0.00 0.00 174.74 174.14 1j0f s TYR 77 N -1.70 3.35 0.00 1.40 5.04 -1.26 -0.68 117.35 123.50 1j0f s TYR 77 Ca 0.35 -1.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.34 1j0f s TYR 77 Cb -0.11 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.38 1j0f s TYR 77 CO 0.28 -0.84 0.64 0.00 -1.34 0.00 0.00 175.55 174.29 1j0f n GLY 79 N -0.09 -0.54 3.89 0.00 0.00 -1.15 -4.99 105.19 102.31 1j0f n GLY 79 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 2.67 -0.35 1.61 5.75 -1.26 -1.44 116.55 123.53 1j0f n ASP 80 Ca 0.00 -2.86 0.25 0.00 -0.01 0.00 0.00 54.79 52.17 1j0f n ASP 80 Cb 0.00 -0.12 0.51 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.56 0.71 0.00 2.11 5.03 -1.91 -1.41 116.97 122.07 1j0f h TYR 81 Ca -0.34 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.00 1j0f h TYR 81 Cb 1.29 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.37 1j0f h TYR 81 CO 0.00 -0.01 0.00 0.39 -1.32 0.00 0.00 178.16 177.22 1j0f n GLU 82 N -4.72 0.00 -0.30 1.82 1.02 -1.26 -0.08 120.64 117.11 1j0f n GLU 82 Ca 0.28 0.58 0.11 0.00 -0.02 0.00 0.00 57.16 58.11 1j0f n GLU 82 Cb 0.97 -1.46 0.25 0.00 -0.02 0.00 0.00 31.44 31.17 1j0f n GLU 82 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1j0f h LEU 83 N 0.00 -0.31 -0.07 -4.62 6.46 -1.77 0.37 115.31 115.37 1j0f h LEU 83 Ca 0.00 0.23 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1j0f h LEU 83 Cb 0.00 0.38 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1j0f h LEU 83 CO 0.00 -0.24 -0.24 0.15 -0.62 0.00 0.00 178.44 177.49 1j0f h PHE 84 N 0.09 -0.63 -0.36 1.25 3.57 -0.94 0.79 116.94 120.71 1j0f h PHE 84 Ca 0.52 0.03 0.03 0.00 3.53 0.00 0.00 57.97 62.08 1j0f h PHE 84 Cb 1.03 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 1j0f h PHE 84 CO -0.41 -0.32 0.16 -0.24 -2.23 0.00 0.00 178.31 175.26 1j0f h VAL 85 N -0.34 0.95 -0.47 1.41 3.04 0.32 1.44 116.25 122.60 1j0f h VAL 85 Ca 0.08 -0.11 0.09 0.00 -1.01 0.00 0.00 66.70 65.75 1j0f h VAL 85 Cb 0.45 0.59 -0.09 0.00 -2.01 0.00 0.00 31.29 30.23 1j0f h VAL 85 CO -0.26 0.06 -0.08 -0.33 -1.01 0.00 0.00 177.57 175.95 1j0f h GLU 86 N 0.33 0.03 0.36 4.17 5.08 0.13 0.96 114.58 125.64 1j0f h GLU 86 Ca 0.16 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1j0f h GLU 86 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1j0f h GLU 86 CO -0.13 0.02 -0.17 0.00 -1.00 0.00 0.00 179.01 177.72 1j0f h ALA 87 N 1.46 -0.49 -0.81 3.43 0.00 -0.22 -0.25 119.26 122.38 1j0f h ALA 87 Ca 0.23 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1j0f h ALA 87 Cb 0.35 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 1j0f h ALA 87 CO -0.46 -0.47 -0.49 0.28 0.00 0.00 0.00 179.25 178.11 1j0f h VAL 88 N -1.09 0.03 -0.74 0.00 2.07 0.22 1.62 116.25 118.36 1j0f h VAL 88 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1j0f h VAL 88 Cb 0.43 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1j0f h VAL 88 CO 0.08 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.81 1j0f h GLU 89 N -0.11 0.90 0.00 1.57 5.08 0.87 0.17 114.58 123.06 1j0f h GLU 89 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1j0f h GLU 89 Cb 0.52 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1j0f h GLU 89 CO -0.84 0.60 0.00 1.04 -1.00 0.00 0.00 179.01 178.81 1j0f n GLN 90 N -4.62 0.37 -2.47 2.33 1.13 0.18 -4.83 117.38 109.47 1j0f n GLN 90 Ca 0.08 0.08 -0.18 0.00 -1.94 0.00 0.00 57.00 55.04 1j0f n GLN 90 Cb 0.07 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.21 -5.22 -0.47 1.08 8.00 0.50 -4.87 116.55 114.36 1j0f n ASP 91 Ca 0.11 -0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.61 1j0f n ASP 91 Cb 0.13 -4.24 0.15 0.00 -0.02 0.00 0.00 41.12 37.14 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 -4.09 1.69 -0.20 -3.53 -2.24 0.60 -4.75 114.28 101.76 1j0f n THR 92 Ca -0.18 -2.38 0.14 0.00 -2.27 0.00 0.00 64.05 59.36 1j0f n THR 92 Cb 0.65 -0.06 0.46 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.52 0.48 -1.44 3.22 5.85 -1.84 0.46 115.31 122.57 1j0f h LEU 93 Ca -0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1j0f h LEU 93 Cb 1.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1j0f h LEU 93 CO 0.01 0.25 -0.00 1.56 -0.34 0.00 0.00 178.44 179.91 1j0f h GLN 94 N 0.51 0.36 0.05 1.25 4.20 -1.93 -2.05 115.11 117.50 1j0f h GLN 94 Ca 0.40 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1j0f h GLN 94 Cb 0.80 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1j0f h GLN 94 CO -0.15 0.39 -0.03 1.49 -0.67 0.00 0.00 178.83 179.87 1j0f h GLU 95 N 0.35 -0.07 -0.53 1.46 4.81 -0.44 -1.66 114.58 118.50 1j0f h GLU 95 Ca 0.08 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1j0f h GLU 95 Cb 0.24 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.54 1j0f h GLU 95 CO 0.01 0.52 -0.46 0.35 -0.73 0.00 0.00 179.01 178.70 1j0f h PHE 96 N -0.91 -1.38 -0.07 0.92 3.57 -0.90 -3.41 116.94 114.76 1j0f h PHE 96 Ca -0.01 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1j0f h PHE 96 Cb 0.62 0.68 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1j0f h PHE 96 CO 0.15 -0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.07 1j0f n LEU 97 N -5.40 0.00 -2.11 0.59 4.77 -0.78 -4.88 117.00 109.18 1j0f n LEU 97 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1j0f n LEU 97 Cb 0.35 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1j0f n LEU 97 CO -0.01 -0.21 0.28 0.29 -1.33 0.00 0.00 177.39 176.41 1j0f n LYS 98 N 0.00 3.52 -0.11 3.23 4.01 -1.26 -4.68 118.16 122.87 1j0f n LYS 98 Ca 0.00 -4.15 -0.25 0.00 -0.51 0.00 0.00 58.31 53.40 1j0f n LYS 98 Cb 0.00 -2.28 -0.11 0.00 -0.51 0.00 0.00 35.03 32.13 1j0f n LYS 98 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1j0f n LEU 99 N -0.69 2.02 -0.43 -0.35 4.32 -1.19 -5.13 117.00 115.55 1j0f n LEU 99 Ca 0.45 0.34 0.05 0.00 -0.02 0.00 0.00 56.01 56.83 1j0f n LEU 99 Cb 0.90 -0.91 0.04 0.00 -1.62 0.00 0.00 43.42 41.83 1j0f n LEU 99 CO 0.42 0.49 0.42 0.00 -1.22 0.00 0.00 177.39 177.49