#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 6.30 -0.42 1.61 0.01 -1.26 -4.92 113.70 115.02 1j0f s SER 2 Ca 0.00 -1.82 0.05 0.00 1.31 0.00 0.00 55.95 55.49 1j0f s SER 2 Cb 0.00 -2.25 0.17 0.00 0.21 0.00 0.00 66.02 64.15 1j0f s SER 2 CO 0.00 -0.92 0.50 -0.70 0.41 0.00 0.00 173.24 172.53 1j0f s GLU 3 N 1.83 0.84 0.94 12.44 2.12 -1.26 -5.15 118.70 130.46 1j0f s GLU 3 Ca 0.10 -1.12 -0.13 0.00 0.36 0.00 0.00 54.97 54.18 1j0f s GLU 3 Cb -0.23 -0.59 0.21 0.00 0.26 0.00 0.00 34.13 33.78 1j0f s GLU 3 CO 0.02 -1.27 1.29 0.20 -0.54 0.00 0.00 175.26 174.95 1j0f s GLY 4 N 1.03 1.80 -0.27 -1.50 0.00 -1.26 -5.07 107.32 102.06 1j0f s GLY 4 Ca 0.24 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1j0f s GLY 4 CO -0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 173.10 172.36 1j0f s ALA 5 N -3.80 2.20 0.49 3.20 0.00 -1.26 -5.10 121.76 117.49 1j0f s ALA 5 Ca 0.75 -1.69 -0.23 0.00 0.00 0.00 0.00 51.96 50.78 1j0f s ALA 5 Cb -0.03 -1.58 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 1j0f s ALA 5 CO 0.52 -1.34 1.31 0.00 0.00 0.00 0.00 175.76 176.25 1j0f n ALA 6 N 4.57 1.46 -0.03 0.00 0.00 -1.26 -4.92 120.51 120.32 1j0f n ALA 6 Ca -0.08 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1j0f n ALA 6 Cb 0.43 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.48 1j0f n ALA 6 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j0f n THR 7 N -0.67 0.43 -3.02 0.00 5.66 -1.26 -5.07 114.28 110.34 1j0f n THR 7 Ca 0.08 -0.38 -0.10 0.00 -3.05 0.00 0.00 64.05 60.61 1j0f n THR 7 Cb 0.43 -0.31 0.01 0.00 -1.55 0.00 0.00 70.33 68.90 1j0f n THR 7 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1j0f n MET 8 N -2.19 -2.15 -4.06 1.09 2.81 -1.26 -5.01 117.12 106.35 1j0f n MET 8 Ca -0.11 1.88 -0.22 0.00 -1.81 0.00 0.00 57.70 57.44 1j0f n MET 8 Cb 0.62 -3.76 -0.05 0.00 -0.71 0.00 0.00 33.22 29.32 1j0f n MET 8 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j0f s SER 9 N -1.69 5.08 -0.52 7.83 0.01 -1.26 -5.08 113.70 118.06 1j0f s SER 9 Ca 0.14 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1j0f s SER 9 Cb -0.03 -1.02 0.22 0.00 0.21 0.00 0.00 66.02 65.40 1j0f s SER 9 CO 0.61 -0.18 0.54 0.61 0.41 0.00 0.00 173.24 175.23 1j0f n GLY 10 N -1.17 3.43 3.77 3.44 0.00 -1.26 -4.99 105.19 108.41 1j0f n GLY 10 Ca -0.05 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.31 4.27 -0.06 0.99 1.98 -1.24 -0.59 118.68 122.71 1j0f s LEU 11 Ca 0.34 2.17 -0.05 0.00 -2.89 0.00 0.00 54.13 53.70 1j0f s LEU 11 Cb 0.10 -3.99 0.02 0.00 0.66 0.00 0.00 46.19 42.98 1j0f s LEU 11 CO -0.11 -0.43 0.16 -0.13 -1.89 0.00 0.00 176.35 173.95 1j0f s ARG 12 N -2.15 0.17 -0.31 1.98 0.52 0.14 -1.66 118.95 117.64 1j0f s ARG 12 Ca 0.54 0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 56.00 1j0f s ARG 12 Cb -0.27 0.01 0.05 0.00 0.52 0.00 0.00 34.95 35.27 1j0f s ARG 12 CO 0.34 -0.07 0.01 0.08 0.02 0.00 0.00 175.30 175.68 1j0f s VAL 13 N 0.42 3.08 -0.46 3.52 1.01 0.41 -0.89 120.40 127.49 1j0f s VAL 13 Ca -0.03 -1.36 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 1j0f s VAL 13 Cb -0.04 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1j0f s VAL 13 CO -0.02 -0.12 1.02 -0.31 0.00 0.00 0.00 175.10 175.67 1j0f s TYR 14 N 1.27 2.89 0.42 5.22 1.51 0.33 0.37 117.35 129.36 1j0f s TYR 14 Ca -0.05 0.56 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 1j0f s TYR 14 Cb -0.20 -4.15 -0.00 0.00 -0.11 0.00 0.00 41.96 37.50 1j0f s TYR 14 CO -0.01 -1.15 0.04 -1.13 -1.11 0.00 0.00 175.55 172.19 1j0f n SER 15 N 7.43 2.58 -3.81 2.29 3.41 0.35 -1.75 113.62 124.12 1j0f n SER 15 Ca 0.09 -2.97 -0.16 0.00 -0.26 0.00 0.00 58.87 55.57 1j0f n SER 15 Cb 0.49 0.52 -0.16 0.00 -0.26 0.00 0.00 64.21 64.80 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 -2.73 0.07 -0.11 6.66 -1.32 -1.26 -0.26 115.64 116.69 1j0f s THR 16 Ca 0.06 0.13 -0.19 0.00 -1.21 0.00 0.00 61.69 60.48 1j0f s THR 16 Cb 0.00 -0.17 -0.27 0.00 -1.51 0.00 0.00 72.50 70.55 1j0f s THR 16 CO 0.04 0.11 0.60 0.28 -2.21 0.00 0.00 174.62 173.44 1j0f h SER 17 N 7.15 0.31 -2.92 8.08 0.02 -1.93 -3.43 113.55 120.83 1j0f h SER 17 Ca -0.43 -0.85 -0.63 0.00 -0.84 0.00 0.00 61.79 59.04 1j0f h SER 17 Cb 1.13 -0.10 -0.14 0.00 0.14 0.00 0.00 62.40 63.43 1j0f h SER 17 CO 0.48 1.49 0.47 -0.69 -1.14 0.00 0.00 176.83 177.44 1j0f s VAL 18 N -2.43 4.44 -0.14 2.27 1.01 -1.26 -4.96 120.40 119.33 1j0f s VAL 18 Ca -0.20 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1j0f s VAL 18 Cb 0.03 -4.58 0.10 0.00 0.00 0.00 0.00 36.38 31.93 1j0f s VAL 18 CO 0.75 -1.24 0.86 0.28 0.00 0.00 0.00 175.10 175.75 1j0f s THR 19 N 3.78 0.00 -0.24 3.92 -1.32 -1.26 -4.93 115.64 115.58 1j0f s THR 19 Ca 0.23 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.55 1j0f s THR 19 Cb -0.16 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.70 1j0f s THR 19 CO 0.13 0.00 -0.17 0.61 -2.21 0.00 0.00 174.62 172.98 1j0f n GLY 20 N 1.06 -0.61 3.44 6.08 0.00 -1.26 -4.88 105.19 109.02 1j0f n GLY 20 Ca -0.14 -0.08 -0.49 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.35 1.77 -0.13 1.61 7.64 -1.26 -4.78 113.62 114.13 1j0f n SER 21 Ca -0.42 0.31 -0.01 0.00 1.01 0.00 0.00 58.87 59.76 1j0f n SER 21 Cb 0.76 -1.22 0.23 0.00 -1.01 0.00 0.00 64.21 62.98 1j0f n SER 21 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1j0f h ARG 22 N 12.76 0.82 -0.45 1.43 3.08 -2.01 -2.81 114.38 127.20 1j0f h ARG 22 Ca -0.22 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 59.80 1j0f h ARG 22 Cb 1.33 -0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.13 1j0f h ARG 22 CO 1.09 0.67 -0.28 0.93 -1.07 0.00 0.00 179.97 181.31 1j0f h GLU 23 N 0.81 -0.18 -0.06 0.04 3.07 -2.00 -0.27 114.58 115.99 1j0f h GLU 23 Ca 0.20 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1j0f h GLU 23 Cb 0.15 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1j0f h GLU 23 CO -0.02 -0.12 -0.21 0.82 -1.40 0.00 0.00 179.01 178.08 1j0f h ILE 24 N -0.19 0.00 -0.98 3.13 2.04 -1.84 0.44 117.51 120.10 1j0f h ILE 24 Ca 0.20 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.17 1j0f h ILE 24 Cb 0.51 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.46 1j0f h ILE 24 CO -0.56 0.00 -0.51 0.29 0.00 0.00 0.00 178.15 177.37 1j0f n LYS 25 N -3.67 -0.36 -0.25 2.37 5.02 -0.86 0.75 118.16 121.16 1j0f n LYS 25 Ca -0.02 1.50 -0.01 0.00 -2.02 0.00 0.00 58.31 57.75 1j0f n LYS 25 Cb 0.14 -2.21 0.05 0.00 -0.02 0.00 0.00 35.03 33.00 1j0f n LYS 25 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1j0f h SER 26 N 0.00 -0.93 -0.89 4.39 0.02 -0.21 0.94 113.55 116.87 1j0f h SER 26 Ca 0.22 0.23 0.11 0.00 -0.84 0.00 0.00 61.79 61.51 1j0f h SER 26 Cb 0.47 0.53 -0.08 0.00 0.14 0.00 0.00 62.40 63.46 1j0f h SER 26 CO -0.94 -0.27 0.52 1.56 -1.14 0.00 0.00 176.83 176.56 1j0f h GLN 27 N -0.06 0.82 -0.14 3.45 4.20 0.25 0.98 115.11 124.61 1j0f h GLN 27 Ca 0.31 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 1j0f h GLN 27 Cb 0.56 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1j0f h GLN 27 CO -0.76 0.54 -0.06 1.96 -0.67 0.00 0.00 178.83 179.84 1j0f h GLN 28 N 0.85 0.29 -0.69 1.46 4.20 0.24 -1.08 115.11 120.37 1j0f h GLN 28 Ca 0.44 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.99 1j0f h GLN 28 Cb 0.43 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1j0f h GLN 28 CO -0.26 0.61 0.28 1.03 -0.67 0.00 0.00 178.83 179.82 1j0f h SER 29 N -0.05 0.92 0.40 1.46 0.87 0.15 -2.11 113.55 115.19 1j0f h SER 29 Ca 0.03 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1j0f h SER 29 Cb 0.52 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1j0f h SER 29 CO 0.02 0.81 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.61 1j0f h GLU 30 N 0.99 -0.52 -0.97 2.24 4.39 0.11 0.23 114.58 121.05 1j0f h GLU 30 Ca 0.23 0.04 0.17 0.00 0.34 0.00 0.00 59.36 60.14 1j0f h GLU 30 Cb 0.17 0.12 -0.17 0.00 -0.10 0.00 0.00 28.75 28.77 1j0f h GLU 30 CO -0.02 -0.35 -0.33 0.28 -1.16 0.00 0.00 179.01 177.43 1j0f h VAL 31 N -0.61 0.02 -0.98 3.13 2.07 -1.18 1.54 116.25 120.24 1j0f h VAL 31 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1j0f h VAL 31 Cb 0.41 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 1j0f h VAL 31 CO 0.09 0.00 0.65 0.71 0.02 0.00 0.00 177.57 179.04 1j0f h THR 32 N -0.01 1.25 0.34 2.57 1.35 -1.33 0.54 112.91 117.62 1j0f h THR 32 Ca 0.39 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 1j0f h THR 32 Cb 0.64 -0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1j0f h THR 32 CO -0.98 0.24 -0.26 -0.09 -0.25 0.00 0.00 175.52 174.18 1j0f h ARG 33 N 1.33 -0.58 -0.17 4.72 2.43 0.55 0.35 114.38 123.02 1j0f h ARG 33 Ca 0.36 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.60 1j0f h ARG 33 Cb -0.15 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1j0f h ARG 33 CO -0.08 -0.39 0.01 0.82 -1.51 0.00 0.00 179.97 178.83 1j0f h ILE 34 N -0.60 0.90 -0.83 1.20 2.04 -0.33 -0.39 117.51 119.50 1j0f h ILE 34 Ca -0.03 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1j0f h ILE 34 Cb 0.52 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1j0f h ILE 34 CO -0.01 0.01 0.54 -0.07 0.00 0.00 0.00 178.15 178.63 1j0f h LEU 35 N 0.07 0.58 -0.78 1.44 3.38 -0.61 0.90 115.31 120.30 1j0f h LEU 35 Ca 0.08 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1j0f h LEU 35 Cb 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1j0f h LEU 35 CO -0.12 0.31 0.17 -0.78 0.09 0.00 0.00 178.44 178.11 1j0f h ASP 36 N 0.62 1.03 -0.01 -0.43 1.82 0.13 -0.96 116.42 118.62 1j0f h ASP 36 Ca 0.41 -0.21 -0.25 0.00 -0.39 0.00 0.00 57.03 56.59 1j0f h ASP 36 Cb 0.69 -0.27 0.02 0.00 0.68 0.00 0.00 39.33 40.45 1j0f h ASP 36 CO -0.17 0.99 -0.95 1.23 -1.61 0.00 0.00 179.24 178.73 1j0f h GLY 37 N 1.08 0.74 2.00 -0.78 0.00 0.71 -3.00 103.07 103.82 1j0f h GLY 37 Ca 0.22 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.27 1j0f h GLY 37 CO 0.00 1.13 0.00 0.50 0.00 0.00 0.00 176.54 178.17 1j0f h LYS 38 N 0.32 0.00 -3.00 4.80 1.57 0.83 -3.45 116.57 117.64 1j0f h LYS 38 Ca -0.12 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.31 1j0f h LYS 38 Cb 1.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.93 1j0f h LYS 38 CO 0.19 0.00 -0.48 0.54 -0.57 0.00 0.00 179.45 179.13 1j0f n ARG 39 N -2.47 -2.34 -3.05 3.15 5.12 -0.41 -4.97 116.66 111.70 1j0f n ARG 39 Ca -0.00 0.85 -0.33 0.00 -1.93 0.00 0.00 57.85 56.43 1j0f n ARG 39 Cb 0.14 -5.38 -0.06 0.00 -1.16 0.00 0.00 32.46 26.00 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 -2.96 4.58 -0.44 0.55 1.01 -0.94 -5.02 121.20 117.98 1j0f s ILE 40 Ca 0.08 1.16 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 1j0f s ILE 40 Cb -0.04 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1j0f s ILE 40 CO 0.10 -0.13 0.76 -1.10 0.00 0.00 0.00 174.94 174.58 1j0f s GLN 41 N -2.80 3.44 0.27 2.79 -1.52 -1.26 -4.83 119.66 115.75 1j0f s GLN 41 Ca 0.54 -0.09 -0.00 0.00 -1.95 0.00 0.00 55.36 53.85 1j0f s GLN 41 Cb -0.12 -3.92 -0.02 0.00 -0.22 0.00 0.00 33.01 28.73 1j0f s GLN 41 CO 0.17 -1.06 0.29 1.52 -0.25 0.00 0.00 175.29 175.96 1j0f s TYR 42 N 3.19 1.21 -0.03 0.91 -0.85 -1.26 -3.69 117.35 116.83 1j0f s TYR 42 Ca 0.29 -1.36 -0.01 0.00 -0.52 0.00 0.00 57.07 55.47 1j0f s TYR 42 Cb -0.13 -0.41 0.03 0.00 0.38 0.00 0.00 41.96 41.83 1j0f s TYR 42 CO 0.21 -0.85 0.06 -1.14 -1.52 0.00 0.00 175.55 172.31 1j0f s GLN 43 N -3.72 -0.02 0.41 -3.49 0.74 -0.66 -4.95 119.66 107.97 1j0f s GLN 43 Ca 0.36 0.28 -0.24 0.00 0.05 0.00 0.00 55.36 55.80 1j0f s GLN 43 Cb 0.03 -0.30 -0.08 0.00 1.10 0.00 0.00 33.01 33.76 1j0f s GLN 43 CO 0.18 -0.21 1.12 -1.17 -0.55 0.00 0.00 175.29 174.65 1j0f s LEU 44 N 1.40 4.13 -0.14 3.68 1.98 -1.26 -0.44 118.68 128.03 1j0f s LEU 44 Ca -0.05 2.21 -0.02 0.00 -2.89 0.00 0.00 54.13 53.37 1j0f s LEU 44 Cb -0.13 -4.14 0.04 0.00 0.66 0.00 0.00 46.19 42.63 1j0f s LEU 44 CO -0.04 -0.65 0.00 -0.69 -1.89 0.00 0.00 176.35 173.09 1j0f s VAL 45 N -1.54 0.59 -0.57 1.68 1.01 0.16 -4.83 120.40 116.89 1j0f s VAL 45 Ca 0.59 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1j0f s VAL 45 Cb -0.27 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1j0f s VAL 45 CO 0.33 0.03 1.13 -0.62 0.00 0.00 0.00 175.10 175.98 1j0f s ASP 46 N 1.85 6.42 0.21 3.32 2.15 -1.26 -0.50 116.67 128.87 1j0f s ASP 46 Ca 0.02 -0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.02 1j0f s ASP 46 Cb -0.15 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 40.11 1j0f s ASP 46 CO -0.07 -1.42 1.50 0.16 -0.17 0.00 0.00 175.17 175.17 1j0f h ILE 47 N 6.12 1.41 0.00 4.11 3.07 -0.93 -2.74 117.51 128.55 1j0f h ILE 47 Ca -0.25 -2.16 -0.01 0.00 1.55 0.00 0.00 64.86 63.99 1j0f h ILE 47 Cb 1.06 2.13 -0.00 0.00 -0.27 0.00 0.00 36.82 39.74 1j0f h ILE 47 CO 1.16 0.64 -0.07 0.77 -1.05 0.00 0.00 178.15 179.60 1j0f h SER 48 N 0.17 0.00 -0.04 2.16 4.64 -1.89 -2.44 113.55 116.15 1j0f h SER 48 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1j0f h SER 48 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1j0f h SER 48 CO 0.11 0.07 0.01 1.56 -0.87 0.00 0.00 176.83 177.71 1j0f h GLN 49 N 0.00 0.07 -4.82 4.77 1.08 -1.85 -3.41 115.11 110.96 1j0f h GLN 49 Ca -0.00 -0.02 -0.66 0.00 -1.45 0.00 0.00 58.65 56.53 1j0f h GLN 49 Cb 0.21 -0.01 -0.37 0.00 -0.05 0.00 0.00 27.48 27.27 1j0f h GLN 49 CO 0.01 0.28 -0.81 0.34 -0.95 0.00 0.00 178.83 177.70 1j0f s ASP 50 N -5.49 4.04 0.44 1.46 2.15 -0.92 -4.98 116.67 113.37 1j0f s ASP 50 Ca -0.14 -1.19 0.24 0.00 0.43 0.00 0.00 52.55 51.89 1j0f s ASP 50 Cb 0.05 -1.46 1.26 0.00 -0.30 0.00 0.00 42.92 42.46 1j0f s ASP 50 CO 0.68 -0.16 1.75 0.78 -0.17 0.00 0.00 175.17 178.05 1j0f h ASN 51 N 7.84 0.32 0.04 -0.34 2.35 -1.79 0.21 115.58 124.20 1j0f h ASN 51 Ca -0.25 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1j0f h ASN 51 Cb 1.07 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 1j0f h ASN 51 CO 0.49 0.02 -0.37 0.00 -1.65 0.00 0.00 177.43 175.92 1j0f h ALA 52 N 1.57 -0.59 -1.00 -0.83 0.00 -1.94 -2.18 119.26 114.29 1j0f h ALA 52 Ca 0.63 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.60 1j0f h ALA 52 Cb 1.87 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 20.17 1j0f h ALA 52 CO -0.26 -0.90 -0.55 1.28 0.00 0.00 0.00 179.25 178.81 1j0f n LEU 53 N -5.44 -0.99 -0.30 0.00 4.77 0.73 0.13 117.00 115.90 1j0f n LEU 53 Ca -0.06 1.77 0.17 0.00 -0.03 0.00 0.00 56.01 57.87 1j0f n LEU 53 Cb 0.35 -0.26 0.33 0.00 -2.33 0.00 0.00 43.42 41.52 1j0f n LEU 53 CO 0.19 -1.47 0.78 -1.14 -1.33 0.00 0.00 177.39 174.42 1j0f n ARG 54 N -5.29 -0.07 0.05 3.23 0.63 -0.83 0.12 116.66 114.51 1j0f n ARG 54 Ca 0.03 1.32 -0.03 0.00 -0.92 0.00 0.00 57.85 58.25 1j0f n ARG 54 Cb 0.28 -2.16 -0.01 0.00 0.45 0.00 0.00 32.46 31.02 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 -0.17 -0.93 6.15 1.82 0.12 -2.52 116.42 120.90 1j0f h ASP 55 Ca 0.60 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 57.44 1j0f h ASP 55 Cb 1.36 0.04 -0.18 0.00 0.68 0.00 0.00 39.33 41.23 1j0f h ASP 55 CO -0.80 0.17 -0.23 1.21 -1.61 0.00 0.00 179.24 177.98 1j0f n GLU 56 N -4.14 -0.08 -0.05 0.28 4.07 0.14 0.11 120.64 120.97 1j0f n GLU 56 Ca -0.02 1.45 -0.10 0.00 -0.06 0.00 0.00 57.16 58.42 1j0f n GLU 56 Cb 0.08 -2.17 -0.04 0.00 -0.06 0.00 0.00 31.44 29.26 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1j0f h MET 57 N 0.00 0.27 -0.34 5.31 4.05 0.86 -0.61 114.93 124.47 1j0f h MET 57 Ca 0.45 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.92 1j0f h MET 57 Cb 0.69 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.36 1j0f h MET 57 CO -0.95 0.21 -0.12 0.00 0.23 0.00 0.00 176.91 176.28 1j0f h ARG 58 N 0.25 -0.05 0.86 0.39 3.08 0.12 0.23 114.38 119.27 1j0f h ARG 58 Ca 0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1j0f h ARG 58 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1j0f h ARG 58 CO -0.01 -0.03 -0.49 1.15 -1.07 0.00 0.00 179.97 179.52 1j0f h THR 59 N -0.05 0.02 -0.57 2.04 2.02 -0.61 0.20 112.91 115.96 1j0f h THR 59 Ca 0.17 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.43 1j0f h THR 59 Cb 0.30 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 66.62 1j0f h THR 59 CO -0.37 0.00 -0.43 -0.07 0.37 0.00 0.00 175.52 175.01 1j0f h LEU 60 N -1.25 -1.49 -0.04 2.58 3.38 -0.78 -0.35 115.31 117.36 1j0f h LEU 60 Ca -0.12 0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1j0f h LEU 60 Cb 0.99 0.67 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1j0f h LEU 60 CO 0.14 -0.34 -0.42 0.00 0.09 0.00 0.00 178.44 177.91 1j0f h ALA 61 N 0.62 -0.66 0.00 1.53 0.00 -0.41 -3.45 119.26 116.89 1j0f h ALA 61 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j0f h ALA 61 Cb 0.56 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1j0f h ALA 61 CO -0.68 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.02 1j0f n GLY 62 N -1.45 1.36 3.63 0.00 0.00 0.57 -5.00 105.19 104.30 1j0f n GLY 62 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.57 0.21 1.61 2.47 -0.38 -5.03 114.94 111.25 1j0f s ASN 63 Ca 0.00 0.90 0.07 0.00 0.42 0.00 0.00 52.86 54.25 1j0f s ASN 63 Cb 0.00 1.26 0.12 0.00 -1.45 0.00 0.00 41.25 41.18 1j0f s ASN 63 CO 0.00 -0.14 1.47 1.55 -3.72 0.00 0.00 177.10 176.26 1j0f h PRO 64 N 6.26 0.07 -1.60 0.43 0.13 -1.97 -3.19 132.00 132.14 1j0f h PRO 64 Ca -0.28 -0.07 -0.58 0.00 -0.87 0.00 0.00 66.00 64.20 1j0f h PRO 64 Cb 1.19 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 1j0f h PRO 64 CO 0.19 0.81 0.71 1.63 -0.23 0.00 0.00 178.00 181.10 1j0f n LYS 65 N -3.67 2.44 -3.29 0.86 4.76 -1.26 -4.94 118.16 113.06 1j0f n LYS 65 Ca -0.02 -2.74 -0.20 0.00 -2.87 0.00 0.00 58.31 52.48 1j0f n LYS 65 Cb 0.74 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.95 4.07 0.09 7.82 0.00 -1.20 -5.13 121.76 124.46 1j0f s ALA 66 Ca 0.53 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1j0f s ALA 66 Cb 0.40 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1j0f s ALA 66 CO -0.16 -0.16 0.26 0.95 0.00 0.00 0.00 175.76 176.64 1j0f s THR 67 N -2.31 0.12 0.85 0.00 -4.23 -1.26 -4.99 115.64 103.81 1j0f s THR 67 Ca 0.46 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 1j0f s THR 67 Cb -0.10 -1.23 0.10 0.00 1.34 0.00 0.00 72.50 72.62 1j0f s THR 67 CO 0.34 -0.52 1.12 -2.16 -0.54 0.00 0.00 174.62 172.85 1j0f s PRO 68 N -3.65 1.64 0.84 3.99 0.04 -1.26 -4.67 135.00 131.93 1j0f s PRO 68 Ca 0.03 0.47 -0.14 0.00 0.04 0.00 0.00 61.00 61.40 1j0f s PRO 68 Cb 0.03 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.89 1j0f s PRO 68 CO -0.10 -1.89 0.93 -0.35 0.04 0.00 0.00 177.00 175.63 1j0f n PRO 69 N -3.59 -1.80 -3.37 0.56 -0.04 -1.26 -4.88 135.00 120.62 1j0f n PRO 69 Ca 0.07 -1.45 -0.01 0.00 -0.04 0.00 0.00 63.50 62.07 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 0.52 -0.01 0.54 2.00 -0.72 -4.24 119.66 112.69 1j0f s GLN 70 Ca 0.56 1.07 -0.24 0.00 -2.00 0.00 0.00 55.36 54.75 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 -0.47 0.72 0.42 -0.50 0.00 0.00 175.29 175.87 1j0f s ILE 71 N 2.80 4.89 -0.01 -2.34 1.09 -1.14 -0.51 121.20 125.98 1j0f s ILE 71 Ca 0.10 1.51 0.01 0.00 -1.10 0.00 0.00 60.65 61.17 1j0f s ILE 71 Cb -0.14 -4.06 0.01 0.00 -1.06 0.00 0.00 42.46 37.21 1j0f s ILE 71 CO -0.19 0.32 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.27 1j0f s VAL 72 N 0.30 0.18 -0.26 2.92 1.01 -0.07 -1.03 120.40 123.45 1j0f s VAL 72 Ca 0.37 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1j0f s VAL 72 Cb -0.19 -0.21 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1j0f s VAL 72 CO 0.20 0.09 -0.10 0.21 0.00 0.00 0.00 175.10 175.50 1j0f s ASN 73 N 0.37 4.49 -1.49 3.32 3.84 0.00 0.23 114.94 125.70 1j0f s ASN 73 Ca -0.03 -1.40 -0.15 0.00 0.21 0.00 0.00 52.86 51.48 1j0f s ASN 73 Cb -0.06 -1.56 0.13 0.00 -0.55 0.00 0.00 41.25 39.21 1j0f s ASN 73 CO -0.01 -0.20 0.64 0.61 -2.79 0.00 0.00 177.10 175.36 1j0f n GLY 74 N 4.44 -0.46 1.64 1.21 0.00 0.24 0.13 105.19 112.39 1j0f n GLY 74 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.46 -1.04 -4.07 1.61 5.15 -1.26 -5.03 115.26 108.16 1j0f n ASN 75 Ca 0.05 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.69 1j0f n ASN 75 Cb 0.50 -0.41 -0.13 0.00 -0.53 0.00 0.00 39.78 39.21 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1j0f s HIS 76 N -2.00 3.63 -0.23 1.20 3.76 0.35 -5.06 115.29 116.94 1j0f s HIS 76 Ca 0.00 -2.73 -0.29 0.00 -0.15 0.00 0.00 55.06 51.89 1j0f s HIS 76 Cb 0.00 -3.08 -0.06 0.00 1.11 0.00 0.00 32.58 30.55 1j0f s HIS 76 CO 0.00 -0.94 2.22 0.98 -0.85 0.00 0.00 174.74 176.15 1j0f n TYR 77 N 4.28 1.92 0.04 1.40 9.36 -1.26 -0.82 117.16 132.08 1j0f n TYR 77 Ca 0.01 -0.08 -0.03 0.00 3.32 0.00 0.00 57.90 61.12 1j0f n TYR 77 Cb 0.41 -2.70 -0.01 0.00 -0.63 0.00 0.00 39.34 36.40 1j0f n TYR 77 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1j0f n GLY 79 N 1.26 -0.84 4.01 0.00 0.00 -1.24 -5.00 105.19 103.36 1j0f n GLY 79 Ca -0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 4.90 0.37 1.61 1.47 -1.26 -2.88 116.67 116.88 1j0f s ASP 80 Ca 0.00 -0.49 0.13 0.00 1.18 0.00 0.00 52.55 53.37 1j0f s ASP 80 Cb 0.00 -0.11 0.94 0.00 -0.34 0.00 0.00 42.92 43.42 1j0f s ASP 80 CO 0.00 -1.45 1.80 0.22 0.68 0.00 0.00 175.17 176.43 1j0f h TYR 81 N -0.06 0.79 0.57 2.11 5.03 -1.92 -1.53 116.97 121.96 1j0f h TYR 81 Ca -0.35 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.96 1j0f h TYR 81 Cb 1.28 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 1j0f h TYR 81 CO 0.17 0.17 -0.37 0.93 -1.32 0.00 0.00 178.16 177.74 1j0f h GLU 82 N 0.55 -0.85 -0.74 1.82 4.39 -1.96 -0.53 114.58 117.27 1j0f h GLU 82 Ca 0.54 0.06 0.17 0.00 0.34 0.00 0.00 59.36 60.47 1j0f h GLU 82 Cb 1.13 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 29.85 1j0f h GLU 82 CO -0.29 -0.57 0.04 -0.07 -1.16 0.00 0.00 179.01 176.96 1j0f h LEU 83 N -0.88 -0.28 -0.26 1.33 4.07 -1.74 0.21 115.31 117.76 1j0f h LEU 83 Ca -0.08 0.18 0.06 0.00 0.08 0.00 0.00 57.88 58.13 1j0f h LEU 83 Cb 0.71 0.31 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 1j0f h LEU 83 CO 0.06 -0.15 -0.22 0.15 -1.08 0.00 0.00 178.44 177.21 1j0f h PHE 84 N 0.13 -0.57 -0.71 1.13 3.57 -0.98 -0.63 116.94 118.88 1j0f h PHE 84 Ca 0.40 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1j0f h PHE 84 Cb 0.71 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1j0f h PHE 84 CO -0.39 -0.29 0.46 -0.24 -2.23 0.00 0.00 178.31 175.62 1j0f h VAL 85 N -0.21 1.14 -0.16 1.41 3.04 0.80 0.46 116.25 122.72 1j0f h VAL 85 Ca 0.14 -0.31 0.02 0.00 -1.01 0.00 0.00 66.70 65.55 1j0f h VAL 85 Cb 0.43 0.14 -0.05 0.00 -2.01 0.00 0.00 31.29 29.81 1j0f h VAL 85 CO -0.39 0.17 -0.36 -0.08 -1.01 0.00 0.00 177.57 175.90 1j0f h GLU 86 N 0.91 -0.31 0.25 4.17 4.22 0.78 1.24 114.58 125.83 1j0f h GLU 86 Ca 0.27 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.72 1j0f h GLU 86 Cb -0.04 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1j0f h GLU 86 CO -0.08 -0.21 -0.12 0.00 -2.18 0.00 0.00 179.01 176.42 1j0f h ALA 87 N -0.61 -0.33 -0.87 2.92 0.00 -1.11 0.17 119.26 119.43 1j0f h ALA 87 Ca 0.03 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1j0f h ALA 87 Cb 0.42 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.18 1j0f h ALA 87 CO -0.33 -0.61 -0.09 0.28 0.00 0.00 0.00 179.25 178.50 1j0f h VAL 88 N -0.49 0.16 -0.35 0.00 2.07 0.32 1.71 116.25 119.67 1j0f h VAL 88 Ca -0.03 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1j0f h VAL 88 Cb 0.37 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1j0f h VAL 88 CO 0.06 0.01 -0.15 -0.33 0.02 0.00 0.00 177.57 177.18 1j0f h GLU 89 N 0.03 0.72 0.00 1.57 5.08 0.18 -2.28 114.58 119.89 1j0f h GLU 89 Ca 0.46 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1j0f h GLU 89 Cb 0.81 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1j0f h GLU 89 CO -0.83 0.91 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 1j0f n GLN 90 N -4.34 0.02 -1.07 2.33 1.13 0.20 -4.82 117.38 110.84 1j0f n GLN 90 Ca -0.02 0.28 -0.02 0.00 -1.94 0.00 0.00 57.00 55.30 1j0f n GLN 90 Cb 0.39 -1.54 -0.01 0.00 0.11 0.00 0.00 30.24 29.19 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 -1.57 -4.46 -1.29 1.08 2.03 0.52 -4.83 116.55 108.04 1j0f n ASP 91 Ca 0.03 0.06 0.08 0.00 0.52 0.00 0.00 54.79 55.48 1j0f n ASP 91 Cb 0.17 -2.16 0.31 0.00 -0.72 0.00 0.00 41.12 38.72 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1j0f n THR 92 N -2.54 2.23 -0.31 5.18 -2.24 -0.58 -4.60 114.28 111.43 1j0f n THR 92 Ca -0.02 -1.54 0.14 0.00 -2.27 0.00 0.00 64.05 60.36 1j0f n THR 92 Cb 0.27 -0.12 0.32 0.00 -2.10 0.00 0.00 70.33 68.70 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 2.87 0.25 -1.80 3.22 7.12 -1.84 1.47 115.31 126.61 1j0f h LEU 93 Ca 0.00 0.17 0.18 0.00 0.13 0.00 0.00 57.88 58.36 1j0f h LEU 93 Cb 1.54 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.82 1j0f h LEU 93 CO 0.28 -0.06 0.65 1.56 -0.13 0.00 0.00 178.44 180.74 1j0f h GLN 94 N 0.33 0.00 0.00 1.25 4.20 -1.92 0.09 115.11 119.06 1j0f h GLN 94 Ca 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.28 1j0f h GLN 94 Cb 1.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 1j0f h GLN 94 CO -0.57 0.00 -0.06 1.49 -0.67 0.00 0.00 178.83 179.02 1j0f h GLU 95 N 0.00 0.00 -0.09 1.46 4.81 0.17 0.26 114.58 121.19 1j0f h GLU 95 Ca 0.30 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1j0f h GLU 95 Cb 1.59 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.91 1j0f h GLU 95 CO -0.00 0.54 -0.47 0.35 -0.73 0.00 0.00 179.01 178.70 1j0f h PHE 96 N -1.00 -1.38 -0.71 0.92 3.57 -0.75 -3.42 116.94 114.16 1j0f h PHE 96 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1j0f h PHE 96 Cb 0.57 0.62 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1j0f h PHE 96 CO 0.14 -0.47 0.00 1.28 -2.23 0.00 0.00 178.31 177.03 1j0f n LEU 97 N -5.02 0.00 -2.96 0.59 4.77 -0.40 -4.89 117.00 109.09 1j0f n LEU 97 Ca -0.05 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.57 1j0f n LEU 97 Cb 0.33 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1j0f n LEU 97 CO 0.08 -1.14 1.06 1.17 -1.33 0.00 0.00 177.39 177.23 1j0f n LYS 98 N -1.31 3.51 -0.08 3.23 3.00 -1.26 -4.51 118.16 120.74 1j0f n LYS 98 Ca 0.00 -4.13 -0.14 0.00 -0.00 0.00 0.00 58.31 54.04 1j0f n LYS 98 Cb 0.00 -2.30 -0.06 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 -0.40 1.78 -0.23 3.14 4.32 -1.21 -5.08 117.00 119.33 1j0f n LEU 99 Ca 0.47 0.09 0.03 0.00 -0.02 0.00 0.00 56.01 56.57 1j0f n LEU 99 Cb 0.36 -0.47 0.02 0.00 -1.62 0.00 0.00 43.42 41.71 1j0f n LEU 99 CO 0.45 0.47 0.34 0.00 -1.22 0.00 0.00 177.39 177.44