#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 -1.10 0.70 1.61 1.04 -1.26 -5.16 113.70 109.53 1j0f s SER 2 Ca 0.00 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.45 1j0f s SER 2 Cb 0.00 1.43 0.01 0.00 0.10 0.00 0.00 66.02 67.56 1j0f s SER 2 CO 0.00 -0.09 1.08 -1.61 0.98 0.00 0.00 173.24 173.60 1j0f s GLU 3 N 1.48 2.90 0.31 4.02 2.02 -1.26 -4.84 118.70 123.33 1j0f s GLU 3 Ca 0.21 0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1j0f s GLU 3 Cb 0.01 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1j0f s GLU 3 CO -0.08 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.56 1j0f n GLY 4 N -2.66 -5.04 3.26 -1.39 0.00 -1.26 -5.08 105.19 93.02 1j0f n GLY 4 Ca 0.07 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.54 -3.13 0.07 4.61 0.00 -1.26 -5.11 121.76 115.40 1j0f s ALA 5 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1j0f s ALA 5 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1j0f s ALA 5 CO 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 175.76 174.85 1j0f n ALA 6 N 4.50 -2.16 -3.02 0.00 0.00 -1.26 -5.07 120.51 113.50 1j0f n ALA 6 Ca -0.08 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1j0f n ALA 6 Cb 0.55 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 1j0f n ALA 6 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j0f s THR 7 N -0.49 0.04 0.05 0.00 -1.32 -1.26 -5.17 115.64 107.49 1j0f s THR 7 Ca 0.00 -0.36 -0.02 0.00 -1.21 0.00 0.00 61.69 60.11 1j0f s THR 7 Cb 0.00 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 1j0f s THR 7 CO 0.00 -0.20 -0.01 -0.32 -2.21 0.00 0.00 174.62 171.89 1j0f s MET 8 N -0.62 0.57 0.04 7.08 1.75 -1.26 -5.17 119.30 121.68 1j0f s MET 8 Ca -0.07 -1.06 -0.00 0.00 -1.25 0.00 0.00 55.69 53.31 1j0f s MET 8 Cb -0.04 0.20 -0.03 0.00 2.84 0.00 0.00 34.83 37.80 1j0f s MET 8 CO 0.00 -0.11 -0.03 -1.12 -0.65 0.00 0.00 175.02 173.11 1j0f s SER 9 N -2.59 0.42 -0.75 1.11 0.01 -1.26 -5.09 113.70 105.55 1j0f s SER 9 Ca 0.02 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.54 1j0f s SER 9 Cb 0.04 0.15 0.24 0.00 0.21 0.00 0.00 66.02 66.66 1j0f s SER 9 CO -0.08 -0.46 0.82 0.61 0.41 0.00 0.00 173.24 174.55 1j0f n GLY 10 N 0.77 4.67 3.77 3.44 0.00 -1.26 -4.94 105.19 111.64 1j0f n GLY 10 Ca -0.18 -2.71 -0.39 0.00 0.00 0.00 0.00 46.02 42.73 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 -2.24 4.39 -0.02 0.99 1.98 -1.23 -1.18 118.68 121.38 1j0f s LEU 11 Ca 0.35 2.23 -0.03 0.00 -2.89 0.00 0.00 54.13 53.78 1j0f s LEU 11 Cb 0.08 -3.83 0.00 0.00 0.66 0.00 0.00 46.19 43.10 1j0f s LEU 11 CO -0.03 -0.32 0.08 -0.13 -1.89 0.00 0.00 176.35 174.06 1j0f s ARG 12 N -1.85 0.20 -0.32 1.98 0.52 0.14 -1.19 118.95 118.44 1j0f s ARG 12 Ca 0.50 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.66 1j0f s ARG 12 Cb -0.29 0.09 0.09 0.00 0.52 0.00 0.00 34.95 35.35 1j0f s ARG 12 CO 0.37 -0.04 0.01 0.08 0.02 0.00 0.00 175.30 175.75 1j0f s VAL 13 N -0.42 2.35 -0.96 3.52 1.01 0.26 -1.02 120.40 125.14 1j0f s VAL 13 Ca -0.05 -2.08 -0.24 0.00 0.00 0.00 0.00 61.98 59.62 1j0f s VAL 13 Cb -0.03 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1j0f s VAL 13 CO 0.00 -0.42 1.50 -0.31 0.00 0.00 0.00 175.10 175.88 1j0f s TYR 14 N 0.99 2.38 0.55 5.22 1.51 0.33 0.31 117.35 128.65 1j0f s TYR 14 Ca 0.04 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.68 1j0f s TYR 14 Cb -0.20 -4.59 0.06 0.00 -0.11 0.00 0.00 41.96 37.12 1j0f s TYR 14 CO -0.07 -1.94 0.59 -1.54 -1.11 0.00 0.00 175.55 171.49 1j0f s SER 15 N 5.30 4.90 -0.03 2.29 1.04 0.22 -2.87 113.70 124.55 1j0f s SER 15 Ca 0.48 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1j0f s SER 15 Cb -0.02 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1j0f s SER 15 CO -0.05 -1.19 -0.11 0.28 0.98 0.00 0.00 173.24 173.15 1j0f s THR 16 N -2.70 0.94 -0.01 2.02 -1.32 -1.26 -0.84 115.64 112.47 1j0f s THR 16 Ca 0.48 -0.45 -0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1j0f s THR 16 Cb -0.04 -0.82 -0.30 0.00 -1.51 0.00 0.00 72.50 69.82 1j0f s THR 16 CO 0.30 0.28 0.81 -1.28 -2.21 0.00 0.00 174.62 172.53 1j0f h SER 17 N 6.32 0.55 -3.61 8.08 0.87 -1.93 -3.44 113.55 120.39 1j0f h SER 17 Ca -0.33 -0.75 -0.65 0.00 -1.23 0.00 0.00 61.79 58.82 1j0f h SER 17 Cb 1.17 -0.18 -0.23 0.00 -0.44 0.00 0.00 62.40 62.72 1j0f h SER 17 CO 0.48 1.62 -0.63 0.54 -0.53 0.00 0.00 176.83 178.32 1j0f s VAL 18 N -2.60 4.19 -0.29 2.23 0.11 -1.26 -5.05 120.40 117.73 1j0f s VAL 18 Ca -0.12 -0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 58.43 1j0f s VAL 18 Cb 0.06 -2.99 0.14 0.00 -1.53 0.00 0.00 36.38 32.05 1j0f s VAL 18 CO 0.87 0.30 1.05 0.28 -3.33 0.00 0.00 175.10 174.27 1j0f s THR 19 N 1.59 0.00 -0.81 5.04 -1.32 -1.26 -4.91 115.64 113.97 1j0f s THR 19 Ca 0.06 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1j0f s THR 19 Cb -0.15 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.19 1j0f s THR 19 CO 0.03 0.00 1.83 0.61 -2.21 0.00 0.00 174.62 174.88 1j0f n GLY 20 N 2.65 5.69 2.91 6.08 0.00 -1.26 -4.80 105.19 116.47 1j0f n GLY 20 Ca -0.14 -2.55 -0.10 0.00 0.00 0.00 0.00 46.02 43.23 1j0f n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0f s SER 21 N -1.57 0.30 0.28 1.61 0.01 -1.26 -5.01 113.70 108.06 1j0f s SER 21 Ca 0.49 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.84 1j0f s SER 21 Cb 0.39 1.07 0.66 0.00 0.21 0.00 0.00 66.02 68.35 1j0f s SER 21 CO -0.33 -0.28 1.65 0.03 0.41 0.00 0.00 173.24 174.71 1j0f h ARG 22 N 7.52 0.19 -0.68 12.44 3.08 -2.00 0.22 114.38 135.15 1j0f h ARG 22 Ca -0.01 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.12 1j0f h ARG 22 Cb 1.11 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 31.00 1j0f h ARG 22 CO 0.21 0.13 -0.47 0.93 -1.07 0.00 0.00 179.97 179.69 1j0f h GLU 23 N 0.20 -0.18 0.05 0.04 4.39 -1.99 0.35 114.58 117.44 1j0f h GLU 23 Ca 0.53 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.25 1j0f h GLU 23 Cb 1.04 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1j0f h GLU 23 CO -0.65 -0.12 -0.24 0.82 -1.16 0.00 0.00 179.01 177.66 1j0f h ILE 24 N -0.18 0.00 -0.94 3.13 2.04 -1.28 0.04 117.51 120.32 1j0f h ILE 24 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.13 1j0f h ILE 24 Cb 0.55 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.51 1j0f h ILE 24 CO -0.75 0.00 -0.55 0.29 0.00 0.00 0.00 178.15 177.13 1j0f n LYS 25 N -3.81 -0.41 -0.29 2.37 5.02 -0.67 -0.03 118.16 120.33 1j0f n LYS 25 Ca -0.04 1.46 -0.08 0.00 -2.02 0.00 0.00 58.31 57.63 1j0f n LYS 25 Cb 0.18 -2.15 -0.04 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 -1.70 -0.89 4.39 0.02 0.11 0.77 113.55 116.26 1j0f h SER 26 Ca 0.15 0.28 0.23 0.00 -0.84 0.00 0.00 61.79 61.61 1j0f h SER 26 Cb 0.39 0.78 -0.13 0.00 0.14 0.00 0.00 62.40 63.57 1j0f h SER 26 CO -0.88 -0.31 0.35 1.56 -1.14 0.00 0.00 176.83 176.41 1j0f h GLN 27 N -0.14 0.33 0.66 3.45 4.20 0.15 0.55 115.11 124.32 1j0f h GLN 27 Ca 0.20 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1j0f h GLN 27 Cb 0.53 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1j0f h GLN 27 CO -0.80 0.22 -0.32 1.96 -0.67 0.00 0.00 178.83 179.21 1j0f h GLN 28 N 0.34 -0.86 -1.06 1.46 4.20 0.19 0.16 115.11 119.54 1j0f h GLN 28 Ca 0.56 0.06 0.28 0.00 0.06 0.00 0.00 58.65 59.61 1j0f h GLN 28 Cb 1.08 0.20 -0.10 0.00 0.30 0.00 0.00 27.48 28.96 1j0f h GLN 28 CO -0.56 -0.57 0.68 1.03 -0.67 0.00 0.00 178.83 178.73 1j0f h SER 29 N -1.18 0.45 0.42 1.46 0.87 0.61 -0.38 113.55 115.80 1j0f h SER 29 Ca -0.09 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1j0f h SER 29 Cb 0.68 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1j0f h SER 29 CO 0.15 0.06 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.98 1j0f h GLU 30 N 0.38 -0.54 -0.99 2.24 4.39 0.20 0.52 114.58 120.77 1j0f h GLU 30 Ca 0.63 0.04 0.18 0.00 0.34 0.00 0.00 59.36 60.54 1j0f h GLU 30 Cb 1.58 0.12 -0.17 0.00 -0.10 0.00 0.00 28.75 30.18 1j0f h GLU 30 CO -0.34 -0.36 -0.32 0.28 -1.16 0.00 0.00 179.01 177.12 1j0f h VAL 31 N -0.80 0.00 -0.71 3.13 2.07 0.04 1.34 116.25 121.33 1j0f h VAL 31 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1j0f h VAL 31 Cb 0.43 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1j0f h VAL 31 CO 0.09 0.00 0.41 0.71 0.02 0.00 0.00 177.57 178.80 1j0f h THR 32 N -0.00 1.21 0.22 2.57 1.35 -1.13 -0.30 112.91 116.82 1j0f h THR 32 Ca 0.41 -0.49 0.01 0.00 -0.55 0.00 0.00 66.41 65.79 1j0f h THR 32 Cb 0.66 0.25 -0.04 0.00 -1.73 0.00 0.00 68.15 67.30 1j0f h THR 32 CO -1.01 0.22 -0.39 -0.09 -0.25 0.00 0.00 175.52 174.00 1j0f h ARG 33 N 0.97 -0.67 -0.09 4.72 2.43 0.40 0.27 114.38 122.40 1j0f h ARG 33 Ca 0.25 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1j0f h ARG 33 Cb -0.00 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1j0f h ARG 33 CO -0.04 -0.45 -0.11 0.82 -1.51 0.00 0.00 179.97 178.68 1j0f h ILE 34 N -0.69 0.71 -0.34 1.20 2.04 -0.54 0.21 117.51 120.09 1j0f h ILE 34 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1j0f h ILE 34 Cb 0.68 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1j0f h ILE 34 CO -0.17 0.00 0.38 -0.07 0.00 0.00 0.00 178.15 178.30 1j0f h LEU 35 N -0.14 0.00 -0.22 1.44 3.38 -0.61 0.81 115.31 119.97 1j0f h LEU 35 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 1j0f h LEU 35 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1j0f h LEU 35 CO -0.18 0.00 -0.88 -0.78 0.09 0.00 0.00 178.44 176.69 1j0f h ASP 36 N 0.00 0.58 0.01 -0.43 3.58 0.27 -2.29 116.42 118.14 1j0f h ASP 36 Ca 0.16 -0.43 -0.08 0.00 0.42 0.00 0.00 57.03 57.10 1j0f h ASP 36 Cb 0.93 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.81 1j0f h ASP 36 CO -0.00 1.22 -0.30 1.23 -2.88 0.00 0.00 179.24 178.50 1j0f h GLY 37 N 1.15 0.21 2.00 -0.78 0.00 0.15 -3.13 103.07 102.66 1j0f h GLY 37 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1j0f h GLY 37 CO 0.16 0.34 0.00 0.50 0.00 0.00 0.00 176.54 177.54 1j0f h LYS 38 N -0.50 0.00 -3.60 4.80 1.57 -0.41 -3.45 116.57 114.98 1j0f h LYS 38 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 1j0f h LYS 38 Cb 1.08 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.43 1j0f h LYS 38 CO 0.06 0.00 -0.51 0.54 -0.57 0.00 0.00 179.45 178.97 1j0f n ARG 39 N -2.92 -3.63 -2.95 3.15 1.74 -0.90 -4.97 116.66 106.18 1j0f n ARG 39 Ca -0.02 0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 57.52 1j0f n ARG 39 Cb 0.11 -5.37 -0.07 0.00 -1.02 0.00 0.00 32.46 26.12 1j0f n ARG 39 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j0f s ILE 40 N -3.05 4.47 -0.43 0.55 1.01 -1.00 -5.01 121.20 117.75 1j0f s ILE 40 Ca 0.21 1.35 -0.26 0.00 0.00 0.00 0.00 60.65 61.94 1j0f s ILE 40 Cb -0.09 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1j0f s ILE 40 CO 0.25 -0.13 0.96 -1.10 0.00 0.00 0.00 174.94 174.92 1j0f s GLN 41 N -2.78 3.68 0.27 2.79 -0.21 -1.26 -4.87 119.66 117.28 1j0f s GLN 41 Ca 0.55 0.38 -0.04 0.00 0.02 0.00 0.00 55.36 56.27 1j0f s GLN 41 Cb -0.12 -3.88 -0.02 0.00 1.00 0.00 0.00 33.01 30.00 1j0f s GLN 41 CO 0.17 -1.15 0.36 1.52 -2.12 0.00 0.00 175.29 174.07 1j0f s TYR 42 N 3.77 0.96 -0.08 0.91 -0.85 -1.26 -3.52 117.35 117.28 1j0f s TYR 42 Ca 0.39 -1.19 -0.03 0.00 -0.52 0.00 0.00 57.07 55.72 1j0f s TYR 42 Cb -0.10 -0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.07 1j0f s TYR 42 CO 0.24 -0.93 0.17 -1.14 -1.52 0.00 0.00 175.55 172.37 1j0f s GLN 43 N -3.69 0.09 0.51 -3.49 0.74 -0.33 -4.95 119.66 108.54 1j0f s GLN 43 Ca 0.32 0.45 -0.20 0.00 0.05 0.00 0.00 55.36 55.98 1j0f s GLN 43 Cb 0.02 -0.19 -0.07 0.00 1.10 0.00 0.00 33.01 33.87 1j0f s GLN 43 CO 0.15 -0.20 1.08 -0.51 -0.55 0.00 0.00 175.29 175.27 1j0f s LEU 44 N 1.49 3.82 -0.07 3.68 2.01 -1.26 -0.58 118.68 127.77 1j0f s LEU 44 Ca -0.06 2.06 -0.01 0.00 0.01 0.00 0.00 54.13 56.13 1j0f s LEU 44 Cb -0.12 -4.55 0.03 0.00 0.01 0.00 0.00 46.19 41.56 1j0f s LEU 44 CO -0.06 -0.97 -0.01 -0.69 1.01 0.00 0.00 176.35 175.63 1j0f s VAL 45 N -1.86 0.43 -0.55 -1.59 1.01 0.15 -4.79 120.40 113.20 1j0f s VAL 45 Ca 0.69 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1j0f s VAL 45 Cb -0.20 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1j0f s VAL 45 CO 0.24 0.26 0.98 -0.62 0.00 0.00 0.00 175.10 175.95 1j0f s ASP 46 N 1.81 6.37 -0.04 3.32 -1.08 -1.26 -0.61 116.67 125.18 1j0f s ASP 46 Ca 0.03 -0.25 -0.26 0.00 -0.52 0.00 0.00 52.55 51.55 1j0f s ASP 46 Cb -0.13 -2.45 -0.21 0.00 -1.46 0.00 0.00 42.92 38.67 1j0f s ASP 46 CO -0.05 -1.25 1.19 0.16 0.52 0.00 0.00 175.17 175.74 1j0f h ILE 47 N 6.04 1.46 -0.97 4.11 3.07 -1.29 -3.14 117.51 126.80 1j0f h ILE 47 Ca -0.26 -1.35 0.29 0.00 1.55 0.00 0.00 64.86 65.10 1j0f h ILE 47 Cb 1.07 2.37 -0.15 0.00 -0.27 0.00 0.00 36.82 39.84 1j0f h ILE 47 CO 1.10 0.35 0.46 -1.28 -1.05 0.00 0.00 178.15 177.73 1j0f h SER 48 N -0.56 0.35 -0.68 2.16 0.87 -1.90 0.14 113.55 113.93 1j0f h SER 48 Ca 0.00 0.19 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 1j0f h SER 48 Cb 0.58 0.18 -0.12 0.00 -0.44 0.00 0.00 62.40 62.60 1j0f h SER 48 CO 0.00 -0.14 -0.40 1.56 -0.53 0.00 0.00 176.83 177.32 1j0f h GLN 49 N 0.29 -0.15 -4.75 2.24 1.08 -1.92 -3.37 115.11 108.54 1j0f h GLN 49 Ca 0.68 0.01 -0.59 0.00 -1.45 0.00 0.00 58.65 57.29 1j0f h GLN 49 Cb 1.49 0.03 -0.35 0.00 -0.05 0.00 0.00 27.48 28.60 1j0f h GLN 49 CO -0.62 -0.10 -0.84 0.34 -0.95 0.00 0.00 178.83 176.66 1j0f s ASP 50 N -5.22 2.54 0.28 1.46 -1.08 0.50 -5.01 116.67 110.14 1j0f s ASP 50 Ca -0.14 -0.45 0.01 0.00 -0.52 0.00 0.00 52.55 51.45 1j0f s ASP 50 Cb 0.15 -1.13 0.57 0.00 -1.46 0.00 0.00 42.92 41.05 1j0f s ASP 50 CO 0.68 0.00 1.80 -0.55 0.52 0.00 0.00 175.17 177.62 1j0f h ASN 51 N 7.57 0.77 -1.13 -0.34 7.08 -1.74 0.24 115.58 128.02 1j0f h ASN 51 Ca -0.33 0.07 0.34 0.00 -3.08 0.00 0.00 56.30 53.30 1j0f h ASN 51 Cb 1.17 -0.07 -0.12 0.00 -2.08 0.00 0.00 38.32 37.21 1j0f h ASN 51 CO 0.50 0.36 0.71 0.00 -2.08 0.00 0.00 177.43 176.93 1j0f h ALA 52 N 1.56 2.35 0.16 4.14 0.00 -1.95 0.41 119.26 125.92 1j0f h ALA 52 Ca 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1j0f h ALA 52 Cb 0.60 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j0f h ALA 52 CO -0.31 -0.88 -0.08 -0.07 0.00 0.00 0.00 179.25 177.92 1j0f h LEU 53 N 0.27 -0.18 -0.54 0.00 3.38 -0.75 0.27 115.31 117.76 1j0f h LEU 53 Ca 0.70 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 58.43 1j0f h LEU 53 Cb 1.91 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.61 1j0f h LEU 53 CO -0.40 0.29 -0.39 0.03 0.09 0.00 0.00 178.44 178.05 1j0f h ARG 54 N -0.70 -0.22 0.04 1.13 3.08 -0.08 0.76 114.38 118.39 1j0f h ARG 54 Ca -0.02 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1j0f h ARG 54 Cb 0.50 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1j0f h ARG 54 CO 0.04 -0.15 -0.02 0.22 -1.07 0.00 0.00 179.97 178.99 1j0f h ASP 55 N -0.23 -0.04 -0.41 7.04 1.82 -1.05 -2.85 116.42 120.70 1j0f h ASP 55 Ca 0.19 -0.21 0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1j0f h ASP 55 Cb 0.56 0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.50 1j0f h ASP 55 CO -0.65 0.19 -0.54 -0.33 -1.61 0.00 0.00 179.24 176.30 1j0f h GLU 56 N -0.28 -0.37 -0.63 0.28 5.08 0.86 0.06 114.58 119.58 1j0f h GLU 56 Ca -0.01 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1j0f h GLU 56 Cb 0.25 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 1j0f h GLU 56 CO 0.01 -0.25 -0.49 1.98 -1.00 0.00 0.00 179.01 179.26 1j0f h MET 57 N -0.39 -0.21 -0.12 2.33 4.05 0.50 0.17 114.93 121.26 1j0f h MET 57 Ca 0.08 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1j0f h MET 57 Cb 0.60 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 1j0f h MET 57 CO -0.60 -0.14 -0.51 0.00 0.23 0.00 0.00 176.91 175.89 1j0f h ARG 58 N -0.22 -0.55 -0.54 0.39 3.08 -1.05 0.41 114.38 115.90 1j0f h ARG 58 Ca 0.16 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.34 1j0f h ARG 58 Cb 0.55 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 1j0f h ARG 58 CO -0.73 -0.37 -0.33 1.15 -1.07 0.00 0.00 179.97 178.62 1j0f h THR 59 N -0.57 0.19 -0.43 2.04 2.02 0.16 0.57 112.91 116.88 1j0f h THR 59 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 1j0f h THR 59 Cb 0.68 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 67.18 1j0f h THR 59 CO -0.42 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.16 1j0f h LEU 60 N -0.19 -0.79 -1.68 2.58 3.38 0.20 0.56 115.31 119.37 1j0f h LEU 60 Ca 0.21 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.37 1j0f h LEU 60 Cb 0.55 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1j0f h LEU 60 CO -0.64 -0.26 0.24 0.00 0.09 0.00 0.00 178.44 177.88 1j0f h ALA 61 N 1.09 1.81 -0.18 1.53 0.00 0.12 -3.46 119.26 120.17 1j0f h ALA 61 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1j0f h ALA 61 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j0f h ALA 61 CO -0.52 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.29 1j0f n GLY 62 N -1.49 1.07 3.65 0.00 0.00 0.20 -5.09 105.19 103.51 1j0f n GLY 62 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.20 -0.23 0.22 1.61 2.47 -0.77 -5.00 114.94 111.05 1j0f s ASN 63 Ca 0.00 0.40 0.09 0.00 0.42 0.00 0.00 52.86 53.77 1j0f s ASN 63 Cb 0.00 0.82 0.15 0.00 -1.45 0.00 0.00 41.25 40.77 1j0f s ASN 63 CO 0.00 -0.07 1.49 1.55 -3.72 0.00 0.00 177.10 176.36 1j0f h PRO 64 N 4.73 0.01 0.00 0.43 0.13 -1.96 -2.78 132.00 132.56 1j0f h PRO 64 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1j0f h PRO 64 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1j0f h PRO 64 CO 0.19 0.76 0.00 1.17 -0.23 0.00 0.00 178.00 179.89 1j0f n LYS 65 N -3.65 0.19 -0.95 0.86 3.00 -1.26 -4.84 118.16 111.51 1j0f n LYS 65 Ca -0.01 0.31 -0.35 0.00 -0.00 0.00 0.00 58.31 58.26 1j0f n LYS 65 Cb 0.73 -1.79 0.08 0.00 0.00 0.00 0.00 35.03 34.05 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j0f n ALA 66 N -1.74 -3.37 -2.97 3.14 0.00 -1.05 -5.02 120.51 109.51 1j0f n ALA 66 Ca 0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 1j0f n ALA 66 Cb 0.30 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.18 0.07 0.85 0.00 -4.23 -1.26 -4.87 115.64 104.02 1j0f s THR 67 Ca 0.53 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1j0f s THR 67 Cb -0.24 -1.44 0.10 0.00 1.34 0.00 0.00 72.50 72.27 1j0f s THR 67 CO 0.71 -0.30 1.12 -2.16 -0.54 0.00 0.00 174.62 173.44 1j0f s PRO 68 N -3.86 1.63 0.85 3.99 0.04 -1.26 -4.67 135.00 131.71 1j0f s PRO 68 Ca 0.08 0.47 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 1j0f s PRO 68 Cb 0.02 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.88 1j0f s PRO 68 CO -0.07 -1.90 0.94 -0.35 0.04 0.00 0.00 177.00 175.66 1j0f n PRO 69 N -3.59 -1.81 -3.47 0.56 -0.04 -1.26 -4.84 135.00 120.55 1j0f n PRO 69 Ca 0.07 -1.47 -0.01 0.00 -0.04 0.00 0.00 63.50 62.05 1j0f n PRO 69 Cb 0.58 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.84 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 -5.08 0.52 -0.01 0.54 2.00 -1.14 -4.21 119.66 112.28 1j0f s GLN 70 Ca 0.56 1.18 -0.20 0.00 -2.00 0.00 0.00 55.36 54.91 1j0f s GLN 70 Cb -0.03 0.59 -0.05 0.00 0.80 0.00 0.00 33.01 34.31 1j0f s GLN 70 CO 0.41 -0.38 0.57 0.42 -0.50 0.00 0.00 175.29 175.81 1j0f s ILE 71 N 2.82 4.94 -0.01 -2.34 1.09 -1.19 -0.51 121.20 125.99 1j0f s ILE 71 Ca 0.05 1.18 0.00 0.00 -1.10 0.00 0.00 60.65 60.78 1j0f s ILE 71 Cb -0.13 -3.90 0.01 0.00 -1.06 0.00 0.00 42.46 37.38 1j0f s ILE 71 CO -0.18 0.43 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.39 1j0f s VAL 72 N -0.22 0.10 -0.24 2.92 1.01 -0.19 -1.75 120.40 122.03 1j0f s VAL 72 Ca 0.30 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1j0f s VAL 72 Cb -0.18 -0.15 0.05 0.00 0.00 0.00 0.00 36.38 36.10 1j0f s VAL 72 CO 0.16 0.08 -0.13 0.21 0.00 0.00 0.00 175.10 175.42 1j0f s ASN 73 N 0.47 4.11 -1.41 3.32 3.84 -0.30 0.29 114.94 125.26 1j0f s ASN 73 Ca -0.04 -1.22 -0.15 0.00 0.21 0.00 0.00 52.86 51.66 1j0f s ASN 73 Cb -0.07 -1.51 0.13 0.00 -0.55 0.00 0.00 41.25 39.26 1j0f s ASN 73 CO -0.01 -0.15 0.55 0.61 -2.79 0.00 0.00 177.10 175.31 1j0f n GLY 74 N 4.49 -0.46 1.75 1.21 0.00 -0.32 0.19 105.19 112.05 1j0f n GLY 74 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.35 -0.92 -4.07 1.61 2.85 -1.26 -5.03 115.26 106.09 1j0f n ASN 75 Ca 0.05 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.18 1j0f n ASN 75 Cb 0.50 -0.44 -0.13 0.00 1.24 0.00 0.00 39.78 40.95 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 -2.00 3.63 -0.31 1.20 3.76 0.50 -5.05 115.29 117.01 1j0f s HIS 76 Ca 0.00 -2.73 -0.28 0.00 -0.15 0.00 0.00 55.06 51.90 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 2.29 0.98 -0.85 0.00 0.00 174.74 176.21 1j0f n TYR 77 N 4.30 1.78 0.14 1.40 9.36 -1.26 -1.15 117.16 131.72 1j0f n TYR 77 Ca 0.01 -0.04 -0.06 0.00 3.32 0.00 0.00 57.90 61.13 1j0f n TYR 77 Cb 0.41 -2.69 -0.03 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 0.64 -0.96 3.98 0.00 0.00 -1.25 -4.99 105.19 102.60 1j0f n GLY 79 Ca -0.05 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 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 5.65 0.34 1.61 1.47 -1.26 -3.16 116.67 117.32 1j0f s ASP 80 Ca 0.00 -0.06 0.13 0.00 1.18 0.00 0.00 52.55 53.80 1j0f s ASP 80 Cb 0.00 -1.08 1.07 0.00 -0.34 0.00 0.00 42.92 42.57 1j0f s ASP 80 CO 0.00 -0.79 1.62 0.22 0.68 0.00 0.00 175.17 176.90 1j0f h TYR 81 N 0.46 0.64 0.26 2.11 5.03 -1.92 0.82 116.97 124.38 1j0f h TYR 81 Ca -0.43 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 60.92 1j0f h TYR 81 Cb 1.27 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.40 1j0f h TYR 81 CO 0.41 -0.33 -0.43 0.93 -1.32 0.00 0.00 178.16 177.42 1j0f h GLU 82 N 0.14 -0.70 -0.70 1.82 5.08 -1.95 0.17 114.58 118.44 1j0f h GLU 82 Ca 0.72 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.28 1j0f h GLU 82 Cb 1.71 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 31.01 1j0f h GLU 82 CO -0.72 -0.47 0.02 -0.07 -1.00 0.00 0.00 179.01 176.77 1j0f h LEU 83 N -0.73 -0.28 0.31 1.33 4.07 -1.24 0.11 115.31 118.89 1j0f h LEU 83 Ca -0.03 0.17 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1j0f h LEU 83 Cb 0.67 0.30 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 1j0f h LEU 83 CO -0.14 -0.14 -0.51 0.15 -1.08 0.00 0.00 178.44 176.72 1j0f h PHE 84 N 0.13 -1.45 -0.67 1.13 3.57 -0.56 -0.80 116.94 118.28 1j0f h PHE 84 Ca 0.37 0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.04 1j0f h PHE 84 Cb 0.64 0.59 -0.11 0.00 2.79 0.00 0.00 35.95 39.86 1j0f h PHE 84 CO -0.38 -0.63 0.09 -0.24 -2.23 0.00 0.00 178.31 174.92 1j0f h VAL 85 N -0.87 0.51 -0.08 1.41 3.04 0.41 0.70 116.25 121.37 1j0f h VAL 85 Ca -0.03 -0.07 0.03 0.00 -1.01 0.00 0.00 66.70 65.61 1j0f h VAL 85 Cb 0.81 0.29 -0.06 0.00 -2.01 0.00 0.00 31.29 30.32 1j0f h VAL 85 CO -0.17 0.04 -0.53 -0.33 -1.01 0.00 0.00 177.57 175.56 1j0f h GLU 86 N 0.20 -0.58 0.89 4.17 4.39 -0.07 1.03 114.58 124.61 1j0f h GLU 86 Ca 0.37 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 1j0f h GLU 86 Cb 0.61 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1j0f h GLU 86 CO -0.51 -0.39 -0.43 0.00 -1.16 0.00 0.00 179.01 176.52 1j0f h ALA 87 N -0.38 -1.27 -1.00 3.43 0.00 -0.05 0.76 119.26 120.75 1j0f h ALA 87 Ca 0.02 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 54.83 1j0f h ALA 87 Cb 0.68 0.46 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1j0f h ALA 87 CO -0.40 -1.19 -0.38 0.28 0.00 0.00 0.00 179.25 177.57 1j0f n VAL 88 N -5.34 -0.52 -0.23 0.00 0.31 0.23 0.16 118.33 112.95 1j0f n VAL 88 Ca -0.15 2.34 -0.08 0.00 -0.01 0.00 0.00 64.34 66.44 1j0f n VAL 88 Cb 0.47 -3.10 0.03 0.00 -0.91 0.00 0.00 33.84 30.34 1j0f n VAL 88 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1j0f h GLU 89 N 0.00 1.04 0.00 5.55 5.08 0.13 -1.11 114.58 125.26 1j0f h GLU 89 Ca 0.36 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1j0f h GLU 89 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1j0f h GLU 89 CO -1.00 0.93 0.00 1.04 -1.00 0.00 0.00 179.01 178.99 1j0f n GLN 90 N -4.30 0.42 -1.84 2.33 1.13 0.36 -4.82 117.38 110.67 1j0f n GLN 90 Ca 0.04 0.06 -0.20 0.00 -1.94 0.00 0.00 57.00 54.95 1j0f n GLN 90 Cb 0.25 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.15 -5.58 -0.22 1.08 8.00 0.43 -4.81 116.55 114.30 1j0f n ASP 91 Ca 0.11 0.35 0.08 0.00 0.71 0.00 0.00 54.79 56.04 1j0f n ASP 91 Cb 0.11 -4.79 0.14 0.00 -0.02 0.00 0.00 41.12 36.56 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 -2.89 1.79 -0.34 -3.53 -2.24 -0.42 -4.70 114.28 101.94 1j0f n THR 92 Ca -0.22 -1.96 0.14 0.00 -2.27 0.00 0.00 64.05 59.75 1j0f n THR 92 Cb 0.68 -0.10 0.35 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.39 0.74 -1.95 3.22 7.12 -1.83 0.88 115.31 123.87 1j0f h LEU 93 Ca 0.00 0.10 0.11 0.00 0.13 0.00 0.00 57.88 58.22 1j0f h LEU 93 Cb 0.99 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 1j0f h LEU 93 CO 0.04 0.24 0.45 1.56 -0.13 0.00 0.00 178.44 180.60 1j0f h GLN 94 N 0.70 0.00 0.00 1.25 4.20 -1.92 -0.44 115.11 118.91 1j0f h GLN 94 Ca 0.58 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.21 1j0f h GLN 94 Cb 0.99 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1j0f h GLN 94 CO -0.38 0.00 -0.47 1.49 -0.67 0.00 0.00 178.83 178.80 1j0f h GLU 95 N 0.00 0.00 0.07 1.46 4.81 0.56 0.27 114.58 121.75 1j0f h GLU 95 Ca 0.19 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1j0f h GLU 95 Cb 1.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1j0f h GLU 95 CO -0.00 0.93 -0.46 0.35 -0.73 0.00 0.00 179.01 179.10 1j0f h PHE 96 N -1.00 -1.34 -0.61 0.92 3.57 -0.73 -3.43 116.94 114.33 1j0f h PHE 96 Ca -0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1j0f h PHE 96 Cb 1.05 0.57 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1j0f h PHE 96 CO 0.19 -0.51 0.00 1.28 -2.23 0.00 0.00 178.31 177.04 1j0f n LEU 97 N -5.04 0.00 -2.90 0.59 4.77 -0.39 -4.89 117.00 109.14 1j0f n LEU 97 Ca -0.07 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 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 0.12 -1.04 1.02 1.17 -1.33 0.00 0.00 177.39 177.34 1j0f n LYS 98 N -1.11 3.37 -0.08 3.23 3.00 -1.26 -4.52 118.16 120.78 1j0f n LYS 98 Ca 0.00 -4.08 -0.16 0.00 -0.00 0.00 0.00 58.31 54.07 1j0f n LYS 98 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 35.03 32.68 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 -0.43 1.59 0.00 3.14 4.32 -1.22 -5.05 117.00 119.34 1j0f n LEU 99 Ca 0.47 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.59 1j0f n LEU 99 Cb 0.37 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 1j0f n LEU 99 CO 0.45 0.44 0.00 0.00 -1.22 0.00 0.00 177.39 177.06