#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 -0.58 0.15 1.61 0.01 -1.26 -5.17 113.70 108.46 1j0f s SER 2 Ca 0.00 1.07 -0.24 0.00 1.31 0.00 0.00 55.95 58.08 1j0f s SER 2 Cb 0.00 1.04 0.06 0.00 0.21 0.00 0.00 66.02 67.33 1j0f s SER 2 CO 0.00 -0.19 0.77 -1.83 0.41 0.00 0.00 173.24 172.40 1j0f s GLU 3 N 0.66 1.28 0.00 12.44 4.04 -1.26 -5.17 118.70 130.69 1j0f s GLU 3 Ca -0.03 -0.60 0.00 0.00 0.04 0.00 0.00 54.97 54.38 1j0f s GLU 3 Cb -0.05 0.51 0.00 0.00 0.02 0.00 0.00 34.13 34.61 1j0f s GLU 3 CO -0.04 -0.58 0.00 0.41 -1.84 0.00 0.00 175.26 173.21 1j0f n GLY 4 N -0.39 -0.84 1.33 -3.83 0.00 -1.26 -5.09 105.19 95.12 1j0f n GLY 4 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1j0f n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0f n ALA 5 N 0.00 0.00 -3.09 4.61 0.00 -1.26 -5.14 120.51 115.63 1j0f n ALA 5 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1j0f n ALA 5 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1j0f n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0f s ALA 6 N -1.89 -0.48 -0.28 0.00 0.00 -1.26 -5.14 121.76 112.70 1j0f s ALA 6 Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 1j0f s ALA 6 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1j0f s ALA 6 CO 0.00 -0.12 0.05 0.99 0.00 0.00 0.00 175.76 176.68 1j0f s THR 7 N -0.18 3.72 -0.32 0.00 2.01 -1.26 -5.07 115.64 114.55 1j0f s THR 7 Ca -0.03 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1j0f s THR 7 Cb -0.03 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1j0f s THR 7 CO 0.01 0.11 1.09 -0.04 -0.69 0.00 0.00 174.62 175.09 1j0f s MET 8 N 1.46 4.05 -0.10 4.92 -1.94 -1.26 -5.00 119.30 121.43 1j0f s MET 8 Ca 0.02 1.07 -0.07 0.00 -1.71 0.00 0.00 55.69 55.00 1j0f s MET 8 Cb -0.17 -3.75 0.04 0.00 2.01 0.00 0.00 34.83 32.96 1j0f s MET 8 CO 0.01 -0.92 0.24 -1.54 -0.01 0.00 0.00 175.02 172.80 1j0f s SER 9 N 1.72 -0.26 -1.13 3.03 1.04 -1.26 -5.08 113.70 111.76 1j0f s SER 9 Ca 0.46 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 57.34 1j0f s SER 9 Cb -0.12 0.44 0.27 0.00 0.10 0.00 0.00 66.02 66.71 1j0f s SER 9 CO 0.16 -0.13 1.55 0.61 0.98 0.00 0.00 173.24 176.41 1j0f n GLY 10 N 3.71 4.97 3.73 7.32 0.00 -1.26 -4.88 105.19 118.78 1j0f n GLY 10 Ca -0.20 -2.51 -0.41 0.00 0.00 0.00 0.00 46.02 42.89 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 -1.96 4.42 -0.04 0.99 1.98 -1.25 0.44 118.68 123.25 1j0f s LEU 11 Ca 0.33 2.09 0.01 0.00 -2.89 0.00 0.00 54.13 53.68 1j0f s LEU 11 Cb 0.05 -3.59 0.02 0.00 0.66 0.00 0.00 46.19 43.32 1j0f s LEU 11 CO 0.07 -0.37 -0.06 -0.13 -1.89 0.00 0.00 176.35 173.97 1j0f s ARG 12 N 0.31 0.95 -0.46 1.98 0.52 0.11 -0.34 118.95 122.01 1j0f s ARG 12 Ca 0.54 -0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 55.55 1j0f s ARG 12 Cb -0.30 -0.90 0.12 0.00 0.52 0.00 0.00 34.95 34.39 1j0f s ARG 12 CO 0.33 -0.05 0.29 0.08 0.02 0.00 0.00 175.30 175.97 1j0f s VAL 13 N 0.82 3.70 -0.64 3.52 1.01 -0.41 -0.71 120.40 127.70 1j0f s VAL 13 Ca -0.12 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 59.52 1j0f s VAL 13 Cb -0.14 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1j0f s VAL 13 CO 0.01 -0.75 1.67 -0.31 0.00 0.00 0.00 175.10 175.72 1j0f s TYR 14 N 1.07 1.87 0.36 5.22 1.51 -0.28 -1.17 117.35 125.93 1j0f s TYR 14 Ca 0.08 0.53 0.05 0.00 -1.01 0.00 0.00 57.07 56.73 1j0f s TYR 14 Cb -0.23 -4.26 -0.07 0.00 -0.11 0.00 0.00 41.96 37.29 1j0f s TYR 14 CO -0.03 -2.24 0.04 -1.54 -1.11 0.00 0.00 175.55 170.67 1j0f s SER 15 N 6.61 2.92 0.04 2.29 1.04 -0.06 -2.71 113.70 123.85 1j0f s SER 15 Ca 0.58 -1.37 0.06 0.00 0.48 0.00 0.00 55.95 55.70 1j0f s SER 15 Cb -0.11 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 1j0f s SER 15 CO 0.20 -0.55 -0.18 0.28 0.98 0.00 0.00 173.24 173.97 1j0f s THR 16 N -3.08 1.47 -0.16 2.02 -1.32 -1.26 -0.08 115.64 113.23 1j0f s THR 16 Ca 0.36 -1.13 -0.18 0.00 -1.21 0.00 0.00 61.69 59.53 1j0f s THR 16 Cb 0.09 -1.30 -0.15 0.00 -1.51 0.00 0.00 72.50 69.63 1j0f s THR 16 CO 0.16 0.13 0.27 0.28 -2.21 0.00 0.00 174.62 173.26 1j0f h SER 17 N 4.88 0.00 -3.64 8.08 0.02 -1.94 -3.44 113.55 117.50 1j0f h SER 17 Ca -0.41 -0.48 -0.65 0.00 -0.84 0.00 0.00 61.79 59.41 1j0f h SER 17 Cb 1.17 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.55 1j0f h SER 17 CO 0.44 1.06 -0.16 -0.69 -1.14 0.00 0.00 176.83 176.34 1j0f s VAL 18 N -2.17 5.09 -0.27 2.27 1.01 -1.26 -5.02 120.40 120.05 1j0f s VAL 18 Ca -0.19 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1j0f s VAL 18 Cb 0.02 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.63 1j0f s VAL 18 CO 0.46 -0.12 0.60 0.28 0.00 0.00 0.00 175.10 176.32 1j0f s THR 19 N 2.21 -0.83 -1.04 3.92 -1.32 -1.26 -4.92 115.64 112.41 1j0f s THR 19 Ca 0.16 0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.62 1j0f s THR 19 Cb -0.16 -0.92 0.09 0.00 -1.51 0.00 0.00 72.50 70.00 1j0f s THR 19 CO 0.12 0.02 2.54 0.61 -2.21 0.00 0.00 174.62 175.70 1j0f n GLY 20 N 5.32 4.90 0.40 6.08 0.00 -1.26 -4.12 105.19 116.51 1j0f n GLY 20 Ca -0.12 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 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 1.51 2.30 0.00 1.61 7.64 -1.26 -5.02 113.62 120.40 1j0f n SER 21 Ca 0.58 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1j0f n SER 21 Cb 0.35 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1j0f n SER 21 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1j0f n ARG 22 N -2.76 0.00 -0.02 1.43 3.00 -1.26 -4.56 116.66 112.48 1j0f n ARG 22 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.69 1j0f n ARG 22 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.88 1j0f n ARG 22 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1j0f h GLU 23 N 0.00 0.02 -0.48 -0.14 4.57 -1.95 -3.18 114.58 113.41 1j0f h GLU 23 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1j0f h GLU 23 Cb 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.49 1j0f h GLU 23 CO 0.00 0.58 -0.44 0.82 -1.18 0.00 0.00 179.01 178.79 1j0f h ILE 24 N -0.55 0.09 -0.92 2.32 2.04 -1.91 -0.34 117.51 118.25 1j0f h ILE 24 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1j0f h ILE 24 Cb 0.58 0.09 -0.12 0.00 -0.74 0.00 0.00 36.82 36.63 1j0f h ILE 24 CO 0.00 0.00 -0.55 0.11 0.00 0.00 0.00 178.15 177.71 1j0f h LYS 25 N -0.29 -0.05 -0.98 2.37 1.57 -1.93 0.17 116.57 117.43 1j0f h LYS 25 Ca 0.15 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1j0f h LYS 25 Cb 0.57 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.78 1j0f h LYS 25 CO -0.63 -0.03 -0.58 0.43 -0.57 0.00 0.00 179.45 178.07 1j0f n SER 26 N -5.30 -1.03 -0.28 0.86 7.64 -0.17 0.12 113.62 115.45 1j0f n SER 26 Ca 0.03 1.75 0.09 0.00 1.01 0.00 0.00 58.87 61.74 1j0f n SER 26 Cb 0.29 -0.23 0.23 0.00 -1.01 0.00 0.00 64.21 63.50 1j0f n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1j0f h GLN 27 N 0.00 0.36 0.25 1.43 4.20 -0.33 1.07 115.11 122.10 1j0f h GLN 27 Ca 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1j0f h GLN 27 Cb 0.41 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1j0f h GLN 27 CO -0.92 0.24 -0.12 1.96 -0.67 0.00 0.00 178.83 179.32 1j0f h GLN 28 N 0.38 -0.32 -0.68 1.46 4.20 0.24 0.16 115.11 120.54 1j0f h GLN 28 Ca 0.47 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.27 1j0f h GLN 28 Cb 0.83 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 1j0f h GLN 28 CO -0.49 -0.05 0.38 0.77 -0.67 0.00 0.00 178.83 178.76 1j0f h SER 29 N -0.58 0.56 0.37 1.46 0.02 0.22 -1.17 113.55 114.43 1j0f h SER 29 Ca -0.03 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1j0f h SER 29 Cb 0.42 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1j0f h SER 29 CO 0.06 0.36 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.59 1j0f h GLU 30 N 0.70 -0.49 -0.99 3.45 4.39 0.12 0.29 114.58 122.06 1j0f h GLU 30 Ca 0.30 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.14 1j0f h GLU 30 Cb 0.19 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 28.82 1j0f h GLU 30 CO -0.18 -0.33 -0.52 0.28 -1.16 0.00 0.00 179.01 177.10 1j0f n VAL 31 N -3.43 -0.62 -0.35 3.13 0.31 0.03 0.17 118.33 117.57 1j0f n VAL 31 Ca -0.06 2.36 0.06 0.00 -0.01 0.00 0.00 64.34 66.69 1j0f n VAL 31 Cb 0.20 -2.98 0.23 0.00 -0.91 0.00 0.00 33.84 30.38 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 0.90 0.41 2.52 1.35 -1.15 0.21 112.91 117.15 1j0f h THR 32 Ca 0.22 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 1j0f h THR 32 Cb 0.46 -0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 66.75 1j0f h THR 32 CO -0.94 0.17 -0.35 -0.09 -0.25 0.00 0.00 175.52 174.06 1j0f h ARG 33 N 0.93 -0.74 -0.22 4.72 2.43 0.55 1.24 114.38 123.30 1j0f h ARG 33 Ca 0.48 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.73 1j0f h ARG 33 Cb 0.48 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1j0f h ARG 33 CO -0.27 -0.49 0.05 0.82 -1.51 0.00 0.00 179.97 178.56 1j0f h ILE 34 N -0.77 0.91 -0.25 1.20 2.04 -0.01 0.35 117.51 120.98 1j0f h ILE 34 Ca -0.04 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1j0f h ILE 34 Cb 0.67 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1j0f h ILE 34 CO -0.02 0.02 0.02 -0.07 0.00 0.00 0.00 178.15 178.10 1j0f h LEU 35 N 0.14 -0.05 -0.07 1.44 3.38 -0.31 0.99 115.31 120.83 1j0f h LEU 35 Ca 0.10 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1j0f h LEU 35 Cb 0.09 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1j0f h LEU 35 CO -0.12 0.01 -0.10 0.44 0.09 0.00 0.00 178.44 178.75 1j0f h ASP 36 N 0.11 -0.32 -0.43 -0.43 5.19 0.22 0.32 116.42 121.08 1j0f h ASP 36 Ca 0.12 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1j0f h ASP 36 Cb 0.14 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1j0f h ASP 36 CO -0.18 -0.14 0.28 1.23 -3.12 0.00 0.00 179.24 177.30 1j0f h GLY 37 N -0.14 0.61 2.00 2.75 0.00 0.30 0.20 103.07 108.78 1j0f h GLY 37 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1j0f h GLY 37 CO -0.16 0.23 0.00 0.28 0.00 0.00 0.00 176.54 176.90 1j0f n LYS 38 N -4.77 0.09 -3.57 4.80 5.02 0.34 -4.85 118.16 115.21 1j0f n LYS 38 Ca 0.01 0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 56.47 1j0f n LYS 38 Cb 0.03 -1.69 0.08 0.00 -0.02 0.00 0.00 35.03 33.43 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 -1.86 -7.80 -2.99 1.97 5.12 1.00 -4.96 116.66 107.14 1j0f n ARG 39 Ca 0.02 0.82 -0.39 0.00 -1.93 0.00 0.00 57.85 56.37 1j0f n ARG 39 Cb 0.15 -5.86 -0.06 0.00 -1.16 0.00 0.00 32.46 25.53 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 -3.32 4.39 -0.53 0.55 1.01 -0.36 -5.00 121.20 117.94 1j0f s ILE 40 Ca 0.53 1.69 -0.28 0.00 0.00 0.00 0.00 60.65 62.59 1j0f s ILE 40 Cb -0.23 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1j0f s ILE 40 CO 0.72 0.52 1.14 -1.10 0.00 0.00 0.00 174.94 176.22 1j0f s GLN 41 N -1.11 3.59 0.22 2.79 1.11 -1.26 -4.79 119.66 120.21 1j0f s GLN 41 Ca 0.36 0.34 -0.07 0.00 0.01 0.00 0.00 55.36 56.00 1j0f s GLN 41 Cb -0.23 -3.97 -0.02 0.00 -1.01 0.00 0.00 33.01 27.78 1j0f s GLN 41 CO 0.26 -1.51 0.30 1.52 0.01 0.00 0.00 175.29 175.87 1j0f s TYR 42 N 4.60 0.75 -0.11 0.91 -0.85 -1.26 -3.87 117.35 117.52 1j0f s TYR 42 Ca 0.44 -1.05 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 1j0f s TYR 42 Cb -0.08 -0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.10 1j0f s TYR 42 CO 0.28 -0.82 -0.11 -1.14 -1.52 0.00 0.00 175.55 172.24 1j0f s GLN 43 N -4.09 1.83 -0.31 -3.49 0.74 0.53 -4.97 119.66 109.91 1j0f s GLN 43 Ca 0.30 -0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.03 1j0f s GLN 43 Cb 0.03 -1.73 -0.00 0.00 1.10 0.00 0.00 33.01 32.41 1j0f s GLN 43 CO 0.10 -0.19 1.40 -1.17 -0.55 0.00 0.00 175.29 174.89 1j0f s LEU 44 N 1.40 3.80 -0.42 3.68 2.96 -1.26 -1.28 118.68 127.55 1j0f s LEU 44 Ca 0.00 1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 54.97 1j0f s LEU 44 Cb -0.13 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.06 1j0f s LEU 44 CO -0.06 -1.22 0.29 -0.69 -1.32 0.00 0.00 176.35 173.35 1j0f s VAL 45 N 4.88 4.99 -0.54 1.68 1.01 -0.31 -4.93 120.40 127.17 1j0f s VAL 45 Ca 0.61 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1j0f s VAL 45 Cb -0.18 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1j0f s VAL 45 CO 0.27 -0.37 1.20 -0.62 0.00 0.00 0.00 175.10 175.58 1j0f s ASP 46 N 1.88 6.48 0.13 3.32 -1.08 -1.25 -0.88 116.67 125.28 1j0f s ASP 46 Ca 0.04 0.26 -0.09 0.00 -0.52 0.00 0.00 52.55 52.24 1j0f s ASP 46 Cb -0.21 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.64 1j0f s ASP 46 CO 0.08 -1.43 1.37 0.16 0.52 0.00 0.00 175.17 175.87 1j0f h ILE 47 N 6.21 1.31 -0.16 4.11 3.07 -0.82 -2.87 117.51 128.35 1j0f h ILE 47 Ca -0.25 -1.97 0.05 0.00 1.55 0.00 0.00 64.86 64.24 1j0f h ILE 47 Cb 1.06 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 39.55 1j0f h ILE 47 CO 1.16 0.62 0.59 -1.28 -1.05 0.00 0.00 178.15 178.20 1j0f h SER 48 N 0.48 0.00 -0.42 2.16 0.87 -1.90 0.23 113.55 114.97 1j0f h SER 48 Ca -0.03 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1j0f h SER 48 Cb 1.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.23 1j0f h SER 48 CO 0.14 0.00 0.13 1.56 -0.53 0.00 0.00 176.83 178.13 1j0f h GLN 49 N 0.00 0.27 -4.92 2.24 1.08 -1.86 -3.45 115.11 108.47 1j0f h GLN 49 Ca 0.08 -0.02 -0.42 0.00 -1.45 0.00 0.00 58.65 56.84 1j0f h GLN 49 Cb 1.27 -0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.50 1j0f h GLN 49 CO -0.00 0.18 -0.57 0.34 -0.95 0.00 0.00 178.83 177.83 1j0f s ASP 50 N -5.35 1.66 -0.11 1.46 2.15 0.80 -5.07 116.67 112.20 1j0f s ASP 50 Ca -0.13 -1.53 -0.03 0.00 0.43 0.00 0.00 52.55 51.29 1j0f s ASP 50 Cb 0.13 0.33 -0.25 0.00 -0.30 0.00 0.00 42.92 42.83 1j0f s ASP 50 CO 0.72 -0.85 0.39 0.59 -0.17 0.00 0.00 175.17 175.86 1j0f n ASN 51 N -0.87 1.91 0.32 -0.34 4.13 -1.26 -3.82 115.26 115.33 1j0f n ASN 51 Ca -0.00 0.23 0.20 0.00 1.68 0.00 0.00 54.58 56.69 1j0f n ASN 51 Cb 0.65 -0.71 1.06 0.00 -1.54 0.00 0.00 39.78 39.24 1j0f n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j0f h ALA 52 N 0.22 1.23 -0.45 5.41 0.00 -1.97 -2.79 119.26 120.91 1j0f h ALA 52 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1j0f h ALA 52 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1j0f h ALA 52 CO 0.08 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1j0f n LEU 53 N -3.22 0.08 -0.35 0.00 7.99 -1.25 -0.14 117.00 120.11 1j0f n LEU 53 Ca -0.02 0.84 -0.07 0.00 -0.01 0.00 0.00 56.01 56.75 1j0f n LEU 53 Cb 0.17 -0.42 -0.05 0.00 -0.11 0.00 0.00 43.42 43.00 1j0f n LEU 53 CO 0.20 -0.42 0.43 -1.14 -1.51 0.00 0.00 177.39 174.95 1j0f n ARG 54 N -1.77 -0.33 0.15 3.23 0.63 -1.06 0.11 116.66 117.62 1j0f n ARG 54 Ca 0.00 1.28 -0.15 0.00 -0.92 0.00 0.00 57.85 58.06 1j0f n ARG 54 Cb 0.00 -1.89 -0.08 0.00 0.45 0.00 0.00 32.46 30.93 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 -1.33 -0.86 6.15 1.82 -1.58 0.39 116.42 121.01 1j0f h ASP 55 Ca 0.18 0.14 0.16 0.00 -0.39 0.00 0.00 57.03 57.12 1j0f h ASP 55 Cb 0.39 0.49 -0.16 0.00 0.68 0.00 0.00 39.33 40.73 1j0f h ASP 55 CO -0.81 -0.53 -0.26 -0.33 -1.61 0.00 0.00 179.24 175.70 1j0f h GLU 56 N -0.73 -0.02 -0.76 0.28 5.08 0.31 0.73 114.58 119.47 1j0f h GLU 56 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1j0f h GLU 56 Cb 0.73 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1j0f h GLU 56 CO -0.22 -0.01 0.48 1.98 -1.00 0.00 0.00 179.01 180.24 1j0f h MET 57 N -0.02 0.91 -0.26 2.33 4.05 0.37 -0.11 114.93 122.21 1j0f h MET 57 Ca 0.39 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1j0f h MET 57 Cb 0.62 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1j0f h MET 57 CO -0.89 0.60 0.15 0.00 0.23 0.00 0.00 176.91 177.00 1j0f h ARG 58 N 0.94 0.30 -0.68 0.39 3.08 0.25 0.33 114.38 118.98 1j0f h ARG 58 Ca 0.30 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 1j0f h ARG 58 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1j0f h ARG 58 CO -0.11 0.20 0.42 1.15 -1.07 0.00 0.00 179.97 180.56 1j0f h THR 59 N 0.30 1.19 0.27 2.04 2.02 -0.18 0.44 112.91 119.00 1j0f h THR 59 Ca 0.10 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1j0f h THR 59 Cb 0.00 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1j0f h THR 59 CO -0.05 0.19 -0.13 -0.07 0.37 0.00 0.00 175.52 175.83 1j0f h LEU 60 N 0.92 -0.31 0.28 2.58 3.38 -0.54 -3.14 115.31 118.49 1j0f h LEU 60 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j0f h LEU 60 Cb -0.05 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1j0f h LEU 60 CO -0.05 -0.11 -0.34 0.00 0.09 0.00 0.00 178.44 178.03 1j0f h ALA 61 N 0.21 -0.69 0.00 1.53 0.00 -0.11 -3.46 119.26 116.74 1j0f h ALA 61 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j0f h ALA 61 Cb 0.37 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j0f h ALA 61 CO 0.06 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.79 1j0f n GLY 62 N -1.44 0.98 3.64 0.00 0.00 0.14 -5.05 105.19 103.47 1j0f n GLY 62 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.96 -0.42 0.21 1.61 2.47 -0.38 -5.03 114.94 111.43 1j0f s ASN 63 Ca 0.00 0.69 0.07 0.00 0.42 0.00 0.00 52.86 54.03 1j0f s ASN 63 Cb 0.00 1.09 0.12 0.00 -1.45 0.00 0.00 41.25 41.01 1j0f s ASN 63 CO 0.00 -0.11 1.47 1.55 -3.72 0.00 0.00 177.10 176.29 1j0f h PRO 64 N 5.56 0.08 -1.30 0.43 0.13 -1.96 -3.13 132.00 131.80 1j0f h PRO 64 Ca -0.28 -0.07 -0.45 0.00 -0.87 0.00 0.00 66.00 64.33 1j0f h PRO 64 Cb 1.19 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1j0f h PRO 64 CO 0.19 0.81 0.58 1.63 -0.23 0.00 0.00 178.00 180.98 1j0f n LYS 65 N -3.67 2.12 -3.18 0.86 4.76 -1.26 -4.93 118.16 112.86 1j0f n LYS 65 Ca -0.02 -2.21 -0.23 0.00 -2.87 0.00 0.00 58.31 52.98 1j0f n LYS 65 Cb 0.74 -1.87 -0.00 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 -2.56 3.75 0.11 7.82 0.00 -1.18 -5.12 121.76 124.57 1j0f s ALA 66 Ca 0.44 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 1j0f s ALA 66 Cb 0.34 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1j0f s ALA 66 CO -0.00 -0.20 0.26 0.95 0.00 0.00 0.00 175.76 176.77 1j0f s THR 67 N -2.43 0.11 0.85 0.00 -4.23 -1.26 -4.95 115.64 103.74 1j0f s THR 67 Ca 0.44 -1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1j0f s THR 67 Cb -0.10 -1.39 0.10 0.00 1.34 0.00 0.00 72.50 72.46 1j0f s THR 67 CO 0.37 -0.51 1.12 -2.16 -0.54 0.00 0.00 174.62 172.89 1j0f s PRO 68 N -3.87 1.61 0.84 3.99 0.04 -1.26 -4.68 135.00 131.68 1j0f s PRO 68 Ca 0.06 0.46 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 1j0f s PRO 68 Cb 0.04 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.90 1j0f s PRO 68 CO -0.09 -1.91 0.93 -0.35 0.04 0.00 0.00 177.00 175.61 1j0f n PRO 69 N -3.60 -1.80 -3.39 0.56 -0.04 -1.26 -4.88 135.00 120.59 1j0f n PRO 69 Ca 0.07 -1.46 -0.01 0.00 -0.04 0.00 0.00 63.50 62.06 1j0f n PRO 69 Cb 0.58 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.85 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 -5.06 0.51 -0.03 0.54 2.00 -1.10 -4.17 119.66 112.35 1j0f s GLN 70 Ca 0.56 1.08 -0.22 0.00 -2.00 0.00 0.00 55.36 54.78 1j0f s GLN 70 Cb -0.03 0.48 -0.05 0.00 0.80 0.00 0.00 33.01 34.21 1j0f s GLN 70 CO 0.41 -0.45 0.66 0.42 -0.50 0.00 0.00 175.29 175.83 1j0f s ILE 71 N 2.80 4.95 0.00 -2.34 1.09 -1.05 -1.12 121.20 125.53 1j0f s ILE 71 Ca 0.09 1.37 0.02 0.00 -1.10 0.00 0.00 60.65 61.03 1j0f s ILE 71 Cb -0.14 -4.00 -0.01 0.00 -1.06 0.00 0.00 42.46 37.25 1j0f s ILE 71 CO -0.19 0.34 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.23 1j0f s VAL 72 N 0.29 0.50 -0.32 2.92 1.01 0.11 -1.92 120.40 123.00 1j0f s VAL 72 Ca 0.35 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1j0f s VAL 72 Cb -0.18 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.83 1j0f s VAL 72 CO 0.18 0.07 0.01 0.21 0.00 0.00 0.00 175.10 175.57 1j0f s ASN 73 N -0.34 4.79 0.00 3.32 3.84 0.31 0.06 114.94 126.92 1j0f s ASN 73 Ca 0.01 -1.65 0.00 0.00 0.21 0.00 0.00 52.86 51.43 1j0f s ASN 73 Cb -0.03 -1.66 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 1j0f s ASN 73 CO -0.00 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.60 1j0f n GLY 74 N 4.47 0.24 0.44 1.21 0.00 0.17 0.16 105.19 111.88 1j0f n GLY 74 Ca -0.07 0.62 0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 1.84 0.85 -4.57 1.61 3.02 -1.26 -5.00 115.26 111.76 1j0f n ASN 75 Ca 0.00 -2.40 -0.26 0.00 -0.03 0.00 0.00 54.58 51.89 1j0f n ASN 75 Cb 0.00 -0.29 -0.09 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 -1.00 2.59 -0.37 3.10 3.76 0.42 -5.11 115.29 118.69 1j0f s HIS 76 Ca 0.14 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.75 1j0f s HIS 76 Cb 0.13 -1.23 0.07 0.00 1.11 0.00 0.00 32.58 32.66 1j0f s HIS 76 CO -0.01 0.56 0.14 -0.47 -0.85 0.00 0.00 174.74 174.11 1j0f s TYR 77 N -1.92 3.37 0.01 1.40 5.04 -1.26 -0.53 117.35 123.45 1j0f s TYR 77 Ca 0.27 -1.83 -0.08 0.00 -2.44 0.00 0.00 57.07 52.98 1j0f s TYR 77 Cb -0.08 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.53 1j0f s TYR 77 CO 0.16 -0.84 1.01 0.00 -1.34 0.00 0.00 175.55 174.54 1j0f n GLY 79 N -0.83 -0.59 3.79 0.00 0.00 -1.21 -4.99 105.19 101.36 1j0f n GLY 79 Ca -0.04 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 4.40 0.34 1.61 -4.77 -1.26 -2.53 116.67 110.46 1j0f s ASP 80 Ca 0.00 -1.26 0.13 0.00 -3.30 0.00 0.00 52.55 48.12 1j0f s ASP 80 Cb 0.00 0.00 1.04 0.00 -1.09 0.00 0.00 42.92 42.88 1j0f s ASP 80 CO 0.00 -0.77 1.66 0.22 0.70 0.00 0.00 175.17 176.98 1j0f h TYR 81 N 1.22 0.86 0.33 2.11 5.03 -1.92 -0.38 116.97 124.23 1j0f h TYR 81 Ca -0.41 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 60.92 1j0f h TYR 81 Cb 1.28 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 1j0f h TYR 81 CO 0.93 -0.18 -0.26 0.93 -1.32 0.00 0.00 178.16 178.26 1j0f h GLU 82 N 0.31 -0.56 -0.80 1.82 4.39 -1.95 0.06 114.58 117.86 1j0f h GLU 82 Ca 0.71 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.64 1j0f h GLU 82 Cb 1.60 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 30.25 1j0f h GLU 82 CO -0.61 -0.37 0.14 -0.07 -1.16 0.00 0.00 179.01 176.93 1j0f h LEU 83 N -0.58 -0.13 -0.28 1.33 4.07 -1.56 0.22 115.31 118.39 1j0f h LEU 83 Ca -0.04 0.18 0.06 0.00 0.08 0.00 0.00 57.88 58.16 1j0f h LEU 83 Cb 0.48 0.28 -0.07 0.00 1.08 0.00 0.00 40.66 42.43 1j0f h LEU 83 CO 0.00 -0.13 -0.16 0.15 -1.08 0.00 0.00 178.44 177.22 1j0f h PHE 84 N 0.19 -0.40 -0.15 1.13 3.57 -0.71 -0.39 116.94 120.18 1j0f h PHE 84 Ca 0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.00 1j0f h PHE 84 Cb 0.86 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1j0f h PHE 84 CO -0.32 -0.23 0.10 -0.24 -2.23 0.00 0.00 178.31 175.38 1j0f h VAL 85 N -0.13 1.04 -0.63 1.41 3.04 0.13 0.41 116.25 121.52 1j0f h VAL 85 Ca 0.15 -0.07 0.12 0.00 -1.01 0.00 0.00 66.70 65.89 1j0f h VAL 85 Cb 0.36 0.82 -0.12 0.00 -2.01 0.00 0.00 31.29 30.34 1j0f h VAL 85 CO -0.36 0.04 -0.21 -0.33 -1.01 0.00 0.00 177.57 175.70 1j0f h GLU 86 N 0.20 -0.05 0.57 4.17 4.39 0.11 0.88 114.58 124.85 1j0f h GLU 86 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1j0f h GLU 86 Cb -0.02 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1j0f h GLU 86 CO -0.01 -0.03 -0.27 0.00 -1.16 0.00 0.00 179.01 177.53 1j0f h ALA 87 N 1.47 -0.76 -0.98 3.43 0.00 -0.71 -0.94 119.26 120.77 1j0f h ALA 87 Ca 0.29 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.21 1j0f h ALA 87 Cb 0.50 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 18.41 1j0f h ALA 87 CO -0.67 -0.72 -0.28 0.28 0.00 0.00 0.00 179.25 177.86 1j0f h VAL 88 N -1.17 0.02 -0.69 0.00 2.07 0.42 1.70 116.25 118.60 1j0f h VAL 88 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1j0f h VAL 88 Cb 0.61 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1j0f h VAL 88 CO 0.13 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.79 1j0f h GLU 89 N -0.00 0.94 0.00 1.57 5.08 0.79 0.07 114.58 123.03 1j0f h GLU 89 Ca 0.44 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1j0f h GLU 89 Cb 0.68 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1j0f h GLU 89 CO -1.00 0.68 0.00 1.04 -1.00 0.00 0.00 179.01 178.74 1j0f n GLN 90 N -4.53 0.98 -1.86 2.33 1.13 0.44 -4.84 117.38 111.03 1j0f n GLN 90 Ca 0.06 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.91 1j0f n GLN 90 Cb 0.07 -1.37 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 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 -0.87 -5.64 -1.33 1.08 9.92 0.47 -4.83 116.55 115.36 1j0f n ASP 91 Ca 0.17 0.34 -0.05 0.00 -0.53 0.00 0.00 54.79 54.73 1j0f n ASP 91 Cb 0.08 -4.87 0.21 0.00 -0.64 0.00 0.00 41.12 35.91 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1j0f n THR 92 N -2.92 2.63 0.24 -3.53 -2.24 0.18 -4.59 114.28 104.05 1j0f n THR 92 Ca -0.22 -2.39 0.11 0.00 -2.27 0.00 0.00 64.05 59.28 1j0f n THR 92 Cb 0.69 -0.33 0.72 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.25 0.00 -0.40 3.22 5.85 -1.86 0.22 115.31 123.60 1j0f h LEU 93 Ca 0.25 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 1j0f h LEU 93 Cb 1.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 1j0f h LEU 93 CO 0.49 0.00 -0.57 1.56 -0.34 0.00 0.00 178.44 179.58 1j0f h GLN 94 N 0.00 0.70 0.36 1.25 7.50 -1.91 -2.84 115.11 120.17 1j0f h GLN 94 Ca 0.03 -0.45 -0.02 0.00 0.50 0.00 0.00 58.65 58.70 1j0f h GLN 94 Cb 0.12 0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.71 1j0f h GLN 94 CO -0.00 1.08 -0.17 0.93 -1.50 0.00 0.00 178.83 179.16 1j0f h GLU 95 N 0.53 -0.47 -0.84 1.46 5.08 -1.31 -2.29 114.58 116.74 1j0f h GLU 95 Ca 0.00 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1j0f h GLU 95 Cb 1.15 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 1j0f h GLU 95 CO 0.12 -0.16 -0.18 0.35 -1.00 0.00 0.00 179.01 178.14 1j0f h PHE 96 N -0.98 -0.39 -4.12 4.33 3.57 -1.16 -3.41 116.94 114.79 1j0f h PHE 96 Ca -0.05 0.07 -0.45 0.00 3.53 0.00 0.00 57.97 61.08 1j0f h PHE 96 Cb 0.52 0.30 0.15 0.00 2.79 0.00 0.00 35.95 39.71 1j0f h PHE 96 CO 0.03 -0.36 0.36 -0.51 -2.23 0.00 0.00 178.31 175.61 1j0f s LEU 97 N -11.06 2.29 -0.41 0.59 1.43 -1.07 -4.83 118.68 105.62 1j0f s LEU 97 Ca -0.14 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1j0f s LEU 97 Cb 0.24 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.88 1j0f s LEU 97 CO 0.76 -2.71 2.61 1.17 0.23 0.00 0.00 176.35 178.41 1j0f n LYS 98 N -3.80 2.25 -0.13 1.70 3.00 -1.26 -4.14 118.16 115.78 1j0f n LYS 98 Ca 0.12 -2.14 -0.26 0.00 -0.00 0.00 0.00 58.31 56.04 1j0f n LYS 98 Cb 0.60 -2.02 -0.10 0.00 0.00 0.00 0.00 35.03 33.51 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 0.78 2.03 -0.54 3.14 4.77 -1.21 -5.03 117.00 120.94 1j0f n LEU 99 Ca 0.44 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.72 1j0f n LEU 99 Cb 0.57 -0.77 0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1j0f n LEU 99 CO 0.34 0.61 0.46 0.00 -1.33 0.00 0.00 177.39 177.47