#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6y n MET 2 N 0.00 1.15 0.05 -0.41 0.00 -1.26 -4.91 117.12 111.73 1j6y n MET 2 Ca 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 57.70 55.02 1j6y n MET 2 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 33.22 32.41 1j6y n MET 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1j6y n ALA 3 N -0.23 0.00 1.81 -5.12 0.00 -1.26 -4.91 120.51 110.80 1j6y n ALA 3 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1j6y n ALA 3 Cb 0.82 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.94 1j6y n ALA 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j6y n SER 4 N -2.63 0.00 -2.88 0.00 2.88 -1.26 -4.78 113.62 104.95 1j6y n SER 4 Ca 0.00 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1j6y n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1j6y n SER 4 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1j6y n ARG 5 N -0.89 2.30 0.00 -1.46 1.85 -1.26 -5.04 116.66 112.16 1j6y n ARG 5 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1j6y n ARG 5 Cb 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 1j6y n ARG 5 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1j6y n ASP 6 N 0.00 0.00 -1.31 2.89 9.92 -1.26 -5.15 116.55 121.64 1j6y n ASP 6 Ca 0.00 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.43 1j6y n ASP 6 Cb 0.00 0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 40.50 1j6y n ASP 6 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1j6y n GLN 7 N -2.46 -2.65 -3.89 -1.24 -0.06 -1.26 -4.63 117.38 101.19 1j6y n GLN 7 Ca 0.00 1.81 -0.33 0.00 -2.00 0.00 0.00 57.00 56.47 1j6y n GLN 7 Cb 0.00 -3.23 -0.13 0.00 -4.06 0.00 0.00 30.24 22.82 1j6y n GLN 7 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1j6y s VAL 8 N -2.39 2.84 0.70 1.69 0.11 0.19 -4.89 120.40 118.65 1j6y s VAL 8 Ca 0.00 -2.36 -0.11 0.00 -2.93 0.00 0.00 61.98 56.58 1j6y s VAL 8 Cb 0.00 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 1j6y s VAL 8 CO 0.00 -0.68 1.08 -0.54 -3.33 0.00 0.00 175.10 171.63 1j6y s LYS 9 N 0.82 2.92 0.00 1.54 1.02 -1.25 -2.70 119.74 122.09 1j6y s LYS 9 Ca 0.11 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1j6y s LYS 9 Cb -0.21 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1j6y s LYS 9 CO -0.05 -1.02 0.00 0.00 -0.92 0.00 0.00 175.35 173.35 1j6y n ALA 10 N -3.02 0.00 -2.43 5.17 0.00 -1.10 -4.84 120.51 114.28 1j6y n ALA 10 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1j6y n ALA 10 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 1j6y n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j6y s SER 11 N 0.00 2.46 -0.04 0.00 1.04 -1.10 0.10 113.70 116.17 1j6y s SER 11 Ca 0.00 -1.75 -0.31 0.00 0.48 0.00 0.00 55.95 54.37 1j6y s SER 11 Cb 0.00 0.59 0.12 0.00 0.10 0.00 0.00 66.02 66.84 1j6y s SER 11 CO 0.00 -1.02 1.29 -1.38 0.98 0.00 0.00 173.24 173.10 1j6y s HIS 12 N -3.27 -0.05 0.27 5.02 -3.43 -1.20 -2.77 115.29 109.86 1j6y s HIS 12 Ca 0.29 -0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.52 1j6y s HIS 12 Cb 0.02 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.67 1j6y s HIS 12 CO 0.20 -0.26 0.13 0.42 -2.00 0.00 0.00 174.74 173.23 1j6y s ILE 13 N -2.41 0.35 -0.02 -5.38 1.01 -1.01 -4.73 121.20 109.02 1j6y s ILE 13 Ca 0.14 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.79 1j6y s ILE 13 Cb 0.04 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.98 1j6y s ILE 13 CO -0.04 0.00 0.02 -0.22 0.00 0.00 0.00 174.94 174.70 1j6y s LEU 14 N -3.32 1.30 0.14 2.97 2.96 0.30 -2.73 118.68 120.29 1j6y s LEU 14 Ca 0.37 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.38 1j6y s LEU 14 Cb 0.06 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 1j6y s LEU 14 CO 0.15 -0.09 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.36 1j6y s ILE 15 N 0.82 3.26 0.83 6.68 1.01 -0.82 -3.29 121.20 129.70 1j6y s ILE 15 Ca -0.07 -1.46 -0.11 0.00 0.00 0.00 0.00 60.65 59.01 1j6y s ILE 15 Cb -0.10 -2.57 0.09 0.00 0.01 0.00 0.00 42.46 39.89 1j6y s ILE 15 CO -0.02 0.01 1.10 -1.59 0.00 0.00 0.00 174.94 174.43 1j6y s LYS 16 N -2.49 1.78 0.00 2.79 0.00 -1.26 -3.96 119.74 116.60 1j6y s LYS 16 Ca 0.23 0.70 0.00 0.00 0.00 0.00 0.00 55.97 56.89 1j6y s LYS 16 Cb -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.85 1j6y s LYS 16 CO 0.14 -1.85 0.00 -2.39 0.00 0.00 0.00 175.35 171.26 1j6y n HIS 17 N -3.59 -0.02 -0.97 1.78 1.44 -1.25 -4.11 115.22 108.50 1j6y n HIS 17 Ca 0.07 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.49 1j6y n HIS 17 Cb 0.56 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.65 1j6y n HIS 17 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1j6y n GLN 18 N 0.00 2.54 0.00 -1.40 1.13 0.21 -4.40 117.38 115.47 1j6y n GLN 18 Ca 0.00 -1.74 0.00 0.00 -1.94 0.00 0.00 57.00 53.32 1j6y n GLN 18 Cb 0.00 -2.61 0.00 0.00 0.11 0.00 0.00 30.24 27.74 1j6y n GLN 18 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j6y n GLY 19 N 3.77 2.35 2.43 1.08 0.00 -1.26 -4.82 105.19 108.74 1j6y n GLY 19 Ca 0.55 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 1j6y n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j6y s SER 20 N 1.00 1.68 0.00 1.61 1.04 -1.26 -5.11 113.70 112.66 1j6y s SER 20 Ca 0.00 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 53.69 1j6y s SER 20 Cb 0.00 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1j6y s SER 20 CO 0.00 -0.20 0.00 -1.14 0.98 0.00 0.00 173.24 172.88 1j6y n ARG 21 N 3.20 0.00 -3.18 4.02 0.63 -1.26 -5.01 116.66 115.06 1j6y n ARG 21 Ca 0.24 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.21 1j6y n ARG 21 Cb 0.45 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.35 1j6y n ARG 21 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1j6y s ARG 22 N 1.03 0.50 0.55 -0.14 3.03 -1.26 -5.04 118.95 117.62 1j6y s ARG 22 Ca 0.00 0.92 -0.22 0.00 2.03 0.00 0.00 55.73 58.47 1j6y s ARG 22 Cb 0.00 0.52 -0.05 0.00 -1.03 0.00 0.00 34.95 34.39 1j6y s ARG 22 CO 0.00 -0.52 1.31 1.17 -1.13 0.00 0.00 175.30 176.13 1j6y n LYS 23 N 5.43 1.60 -3.04 3.89 4.81 -1.26 -2.07 118.16 127.52 1j6y n LYS 23 Ca -0.03 0.59 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 1j6y n LYS 23 Cb 0.51 -2.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.03 1j6y n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j6y n ALA 24 N -1.09 -0.98 -3.59 3.14 0.00 -1.26 -4.91 120.51 111.82 1j6y n ALA 24 Ca 0.11 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 1j6y n ALA 24 Cb 0.45 -2.07 -0.16 0.00 0.00 0.00 0.00 19.45 17.67 1j6y n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j6y s SER 25 N -2.45 1.54 0.00 0.00 0.15 -0.88 -4.97 113.70 107.09 1j6y s SER 25 Ca 0.25 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1j6y s SER 25 Cb -0.13 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1j6y s SER 25 CO 0.31 -0.31 0.00 1.87 1.20 0.00 0.00 173.24 176.31 1j6y n TRP 26 N 5.30 0.00 1.33 3.44 -0.00 -1.26 -4.64 117.44 121.61 1j6y n TRP 26 Ca -0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.52 1j6y n TRP 26 Cb 0.49 0.00 0.30 0.00 -0.00 0.00 0.00 31.31 32.11 1j6y n TRP 26 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1j6y n LYS 27 N 0.00 1.56 -0.02 5.87 -0.00 -1.26 -4.37 118.16 119.95 1j6y n LYS 27 Ca 0.00 -0.86 -0.02 0.00 -0.00 0.00 0.00 58.31 57.43 1j6y n LYS 27 Cb 0.00 -1.30 -0.01 0.00 -0.00 0.00 0.00 35.03 33.72 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j6y n ASP 28 N 0.12 0.56 -3.42 -5.58 8.00 -1.26 -5.04 116.55 109.93 1j6y n ASP 28 Ca 0.13 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 1j6y n ASP 28 Cb 0.24 -0.45 0.18 0.00 -0.02 0.00 0.00 41.12 41.08 1j6y n ASP 28 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1j6y n PRO 29 N -3.05 -2.00 -2.55 -0.24 -0.04 -1.26 -5.09 135.00 120.77 1j6y n PRO 29 Ca -0.03 -1.50 -0.13 0.00 -0.04 0.00 0.00 63.50 61.80 1j6y n PRO 29 Cb 0.12 -1.21 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1j6y n PRO 29 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1j6y n GLU 30 N -3.77 1.02 0.00 0.54 0.00 -1.26 -4.58 120.64 112.58 1j6y n GLU 30 Ca 0.13 -1.73 0.00 0.00 0.00 0.00 0.00 57.16 55.55 1j6y n GLU 30 Cb 0.47 0.12 0.00 0.00 0.00 0.00 0.00 31.44 32.03 1j6y n GLU 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j6y n GLY 31 N 1.55 6.86 3.16 -1.84 0.00 -1.26 -4.75 105.19 108.91 1j6y n GLY 31 Ca 0.01 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 44.07 1j6y n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j6y s LYS 32 N 1.35 0.03 0.00 1.61 2.20 -1.26 -5.07 119.74 118.60 1j6y s LYS 32 Ca 0.00 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1j6y s LYS 32 Cb 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1j6y s LYS 32 CO 0.00 -0.02 0.00 0.44 -0.36 0.00 0.00 175.35 175.41 1j6y n ILE 33 N 5.11 -1.08 -3.73 5.43 -5.35 -1.26 -4.98 119.36 113.51 1j6y n ILE 33 Ca -0.08 0.18 -0.14 0.00 -0.27 0.00 0.00 62.75 62.44 1j6y n ILE 33 Cb 0.55 -1.96 -0.15 0.00 -1.74 0.00 0.00 39.64 36.34 1j6y n ILE 33 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1j6y s ILE 34 N -0.37 -0.10 -0.36 7.28 -5.25 -1.26 -5.01 121.20 116.14 1j6y s ILE 34 Ca 0.00 0.22 0.10 0.00 -0.99 0.00 0.00 60.65 59.98 1j6y s ILE 34 Cb 0.00 -0.27 -0.12 0.00 2.95 0.00 0.00 42.46 45.02 1j6y s ILE 34 CO 0.00 0.09 0.38 0.18 -1.79 0.00 0.00 174.94 173.80 1j6y n LEU 35 N 4.48 0.35 -0.61 0.37 4.32 -1.26 -5.02 117.00 119.63 1j6y n LEU 35 Ca -0.21 -0.37 0.07 0.00 -0.02 0.00 0.00 56.01 55.48 1j6y n LEU 35 Cb 0.51 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.29 1j6y n LEU 35 CO 0.14 0.09 -0.11 0.35 -1.22 0.00 0.00 177.39 176.64 1j6y n THR 36 N -1.40 0.00 -0.37 -5.08 -2.24 -1.26 -4.41 114.28 99.52 1j6y n THR 36 Ca 0.01 0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 1j6y n THR 36 Cb 0.19 -0.22 0.24 0.00 -2.10 0.00 0.00 70.33 68.43 1j6y n THR 36 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j6y n THR 37 N -2.10 0.00 -4.60 4.28 -1.04 -1.26 -4.60 114.28 104.96 1j6y n THR 37 Ca -0.00 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.66 1j6y n THR 37 Cb 0.56 -0.80 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 1j6y n THR 37 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1j6y s THR 38 N -2.13 0.81 0.11 12.58 -4.23 -1.26 0.67 115.64 122.19 1j6y s THR 38 Ca 0.56 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1j6y s THR 38 Cb -0.11 -2.30 -0.11 0.00 1.34 0.00 0.00 72.50 71.32 1j6y s THR 38 CO 0.49 0.00 1.49 0.08 -0.54 0.00 0.00 174.62 176.14 1j6y h ARG 39 N 1.64 -0.45 0.67 3.99 -0.00 -1.93 2.05 114.38 120.34 1j6y h ARG 39 Ca -0.38 0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 59.60 1j6y h ARG 39 Cb 1.29 0.10 0.01 0.00 -0.00 0.00 0.00 29.97 31.37 1j6y h ARG 39 CO 0.63 -0.30 -0.32 1.49 -0.00 0.00 0.00 179.97 181.47 1j6y h GLU 40 N -0.47 -0.86 -0.86 0.08 4.57 -2.00 -2.33 114.58 112.71 1j6y h GLU 40 Ca 0.04 0.06 0.19 0.00 -1.18 0.00 0.00 59.36 58.46 1j6y h GLU 40 Cb 0.58 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 29.26 1j6y h GLU 40 CO -0.44 -0.54 0.39 0.00 -1.18 0.00 0.00 179.01 177.24 1j6y h ALA 41 N -0.76 1.33 0.17 2.92 0.00 -1.88 0.24 119.26 121.29 1j6y h ALA 41 Ca -0.09 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j6y h ALA 41 Cb 0.72 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1j6y h ALA 41 CO 0.15 -0.24 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 1j6y h ALA 42 N 1.64 -0.88 -1.03 0.00 0.00 0.36 0.59 119.26 119.93 1j6y h ALA 42 Ca 0.51 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.65 1j6y h ALA 42 Cb 0.87 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1j6y h ALA 42 CO -0.46 -0.90 0.75 0.28 0.00 0.00 0.00 179.25 178.92 1j6y h VAL 43 N -0.37 0.48 0.59 0.00 2.07 -0.86 0.16 116.25 118.31 1j6y h VAL 43 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1j6y h VAL 43 Cb 0.33 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1j6y h VAL 43 CO -0.04 0.00 -0.29 -0.08 0.02 0.00 0.00 177.57 177.19 1j6y h GLU 44 N 0.00 -0.77 -0.94 1.57 4.57 0.11 0.83 114.58 119.96 1j6y h GLU 44 Ca 0.49 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.92 1j6y h GLU 44 Cb 1.98 0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 30.67 1j6y h GLU 44 CO -0.01 -0.49 0.61 0.37 -1.18 0.00 0.00 179.01 178.31 1j6y h GLN 45 N -1.18 0.50 -0.01 1.92 5.75 0.19 0.77 115.11 123.06 1j6y h GLN 45 Ca -0.08 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.23 1j6y h GLN 45 Cb 0.63 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1j6y h GLN 45 CO 0.13 0.33 -0.71 -0.07 -2.65 0.00 0.00 178.83 175.86 1j6y h LEU 46 N 0.52 0.06 0.24 -2.39 4.07 -0.58 -2.82 115.31 114.41 1j6y h LEU 46 Ca 0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.41 1j6y h LEU 46 Cb 1.09 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 1j6y h LEU 46 CO -0.23 0.75 -0.15 0.50 -1.08 0.00 0.00 178.44 178.24 1j6y h LYS 47 N 0.03 -0.35 -0.83 1.13 3.64 0.75 -1.47 116.57 119.47 1j6y h LYS 47 Ca -0.01 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.63 1j6y h LYS 47 Cb 1.26 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1j6y h LYS 47 CO 0.10 -0.23 0.64 0.66 -2.27 0.00 0.00 179.45 178.35 1j6y h SER 48 N -0.36 0.00 0.63 4.20 4.64 -1.52 0.18 113.55 121.33 1j6y h SER 48 Ca -0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1j6y h SER 48 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1j6y h SER 48 CO 0.03 0.00 -0.35 0.40 -0.87 0.00 0.00 176.83 176.05 1j6y h ILE 49 N 0.00 0.29 -0.81 0.95 1.08 -1.04 1.91 117.51 119.90 1j6y h ILE 49 Ca 0.39 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 65.05 1j6y h ILE 49 Cb 1.67 0.29 -0.12 0.00 -3.07 0.00 0.00 36.82 35.60 1j6y h ILE 49 CO -0.00 0.00 0.26 0.03 -0.69 0.00 0.00 178.15 177.75 1j6y h ARG 50 N -0.91 0.31 0.48 2.37 3.08 0.00 1.73 114.38 121.44 1j6y h ARG 50 Ca -0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1j6y h ARG 50 Cb 0.72 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1j6y h ARG 50 CO 0.11 0.20 -0.23 1.49 -1.07 0.00 0.00 179.97 180.47 1j6y h GLU 51 N 0.32 -0.62 -0.54 0.04 4.57 -0.94 0.73 114.58 118.14 1j6y h GLU 51 Ca 0.48 0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.81 1j6y h GLU 51 Cb 0.86 0.14 -0.11 0.00 -0.16 0.00 0.00 28.75 29.49 1j6y h GLU 51 CO -0.53 -0.41 -0.24 -0.44 -1.18 0.00 0.00 179.01 176.20 1j6y h ASP 52 N -0.82 -0.85 0.11 1.04 5.19 0.38 2.37 116.42 123.85 1j6y h ASP 52 Ca -0.07 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1j6y h ASP 52 Cb 0.49 0.46 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 1j6y h ASP 52 CO 0.11 -0.26 -0.02 0.40 -3.12 0.00 0.00 179.24 176.34 1j6y h ILE 53 N -0.12 0.35 0.00 0.35 2.04 0.26 -2.92 117.51 117.47 1j6y h ILE 53 Ca 0.24 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1j6y h ILE 53 Cb 0.50 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1j6y h ILE 53 CO -0.61 0.02 -0.00 0.58 0.00 0.00 0.00 178.15 178.14 1j6y h VAL 54 N 0.00 0.02 -2.85 1.67 2.07 1.00 -3.46 116.25 114.69 1j6y h VAL 54 Ca -0.00 -1.01 -0.63 0.00 0.82 0.00 0.00 66.70 65.87 1j6y h VAL 54 Cb 0.08 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.83 1j6y h VAL 54 CO 0.00 0.01 -0.34 -0.44 0.02 0.00 0.00 177.57 176.82 1j6y s SER 55 N -5.56 6.59 0.00 0.57 0.01 0.37 -4.87 113.70 110.81 1j6y s SER 55 Ca -0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1j6y s SER 55 Cb -0.00 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1j6y s SER 55 CO 0.01 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1j6y n GLY 56 N 1.72 -0.91 2.48 3.44 0.00 -1.26 -4.52 105.19 106.14 1j6y n GLY 56 Ca -0.16 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1j6y n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j6y n LYS 57 N 1.59 1.04 0.00 1.61 4.81 -1.26 -4.81 118.16 121.15 1j6y n LYS 57 Ca 0.00 -0.70 0.00 0.00 -0.87 0.00 0.00 58.31 56.74 1j6y n LYS 57 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1j6y n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j6y n ALA 58 N 3.48 0.00 -2.81 3.14 0.00 -1.26 -5.07 120.51 117.99 1j6y n ALA 58 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1j6y n ALA 58 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1j6y n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j6y n ASN 59 N -1.24 0.83 0.00 0.00 4.13 -1.26 -5.06 115.26 112.65 1j6y n ASN 59 Ca 0.00 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1j6y n ASN 59 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1j6y n ASN 59 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1j6y n PHE 60 N -0.23 0.00 0.00 3.10 -0.00 -1.26 -4.90 117.46 114.17 1j6y n PHE 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1j6y n PHE 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1j6y n PHE 60 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1j6y n GLU 61 N -1.24 0.00 -0.29 -4.13 1.02 -1.26 0.58 120.64 115.32 1j6y n GLU 61 Ca 0.00 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 1j6y n GLU 61 Cb 0.00 -1.24 0.26 0.00 -0.02 0.00 0.00 31.44 30.44 1j6y n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1j6y h GLU 62 N 0.00 0.17 -0.48 3.49 5.08 -1.95 0.77 114.58 121.66 1j6y h GLU 62 Ca 0.00 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1j6y h GLU 62 Cb 0.00 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1j6y h GLU 62 CO 0.00 0.11 0.08 0.28 -1.00 0.00 0.00 179.01 178.48 1j6y h VAL 63 N 0.18 0.71 0.80 3.13 2.07 -1.87 -1.03 116.25 120.23 1j6y h VAL 63 Ca 0.52 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.93 1j6y h VAL 63 Cb 1.02 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1j6y h VAL 63 CO -0.67 0.04 -0.38 0.00 0.02 0.00 0.00 177.57 176.58 1j6y h ALA 64 N 1.38 -1.07 -0.93 1.67 0.00 0.60 0.37 119.26 121.28 1j6y h ALA 64 Ca 0.24 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1j6y h ALA 64 Cb 0.33 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1j6y h ALA 64 CO -0.33 -1.04 1.00 1.79 0.00 0.00 0.00 179.25 180.67 1j6y h THR 65 N -1.21 0.12 0.00 0.00 1.35 -0.42 0.04 112.91 112.80 1j6y h THR 65 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1j6y h THR 65 Cb 0.84 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1j6y h THR 65 CO 0.18 0.00 -0.39 -1.14 -0.25 0.00 0.00 175.52 173.92 1j6y n ARG 66 N -3.47 0.35 -2.21 4.72 0.00 -0.43 -4.50 116.66 111.12 1j6y n ARG 66 Ca 0.20 0.47 -0.39 0.00 -0.00 0.00 0.00 57.85 58.13 1j6y n ARG 66 Cb 1.29 -1.49 0.01 0.00 0.00 0.00 0.00 32.46 32.26 1j6y n ARG 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1j6y n VAL 67 N -4.11 5.25 -4.15 5.15 3.14 0.12 -4.95 118.33 118.78 1j6y n VAL 67 Ca -0.06 -4.91 -0.12 0.00 -2.96 0.00 0.00 64.34 56.30 1j6y n VAL 67 Cb 0.21 -1.70 -0.10 0.00 -1.06 0.00 0.00 33.84 31.18 1j6y n VAL 67 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1j6y s SER 68 N -0.53 1.19 0.03 6.55 0.01 -0.09 0.11 113.70 120.97 1j6y s SER 68 Ca 0.48 -0.88 -0.39 0.00 1.31 0.00 0.00 55.95 56.48 1j6y s SER 68 Cb 0.24 0.06 -0.19 0.00 0.21 0.00 0.00 66.02 66.34 1j6y s SER 68 CO -0.16 -0.36 1.17 -0.67 0.41 0.00 0.00 173.24 173.63 1j6y n ASP 69 N 0.37 0.63 0.00 2.44 2.03 -1.26 -3.68 116.55 117.08 1j6y n ASP 69 Ca -0.15 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1j6y n ASP 69 Cb 0.59 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1j6y n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j6y h SER 71 N 0.00 -0.51 -0.74 0.00 0.87 -2.01 0.65 113.55 111.81 1j6y h SER 71 Ca 0.00 0.14 0.15 0.00 -1.23 0.00 0.00 61.79 60.86 1j6y h SER 71 Cb 0.00 0.31 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1j6y h SER 71 CO 0.00 -0.18 0.50 0.28 -0.53 0.00 0.00 176.83 176.90 1j6y h SER 72 N -0.04 0.33 -1.00 6.23 0.02 0.31 0.64 113.55 120.03 1j6y h SER 72 Ca 0.21 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.41 1j6y h SER 72 Cb 0.37 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.76 1j6y h SER 72 CO -0.48 0.17 0.62 0.00 -1.14 0.00 0.00 176.83 176.00 1j6y h ALA 73 N 1.65 1.89 -0.10 3.77 0.00 0.99 2.80 119.26 130.26 1j6y h ALA 73 Ca 0.36 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 1j6y h ALA 73 Cb 0.91 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1j6y h ALA 73 CO -0.10 -0.30 -0.49 -0.22 0.00 0.00 0.00 179.25 178.14 1j6y h LYS 74 N 0.59 0.26 -1.57 0.00 3.64 0.39 -3.11 116.57 116.77 1j6y h LYS 74 Ca 0.59 -0.15 -0.63 0.00 -1.27 0.00 0.00 60.65 59.20 1j6y h LYS 74 Cb 1.17 0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 32.61 1j6y h LYS 74 CO -0.37 0.70 -0.30 0.54 -2.27 0.00 0.00 179.45 177.75 1j6y n ARG 75 N -3.96 3.27 0.00 1.90 1.74 0.76 -4.78 116.66 115.59 1j6y n ARG 75 Ca -0.02 -4.25 0.04 0.00 -0.77 0.00 0.00 57.85 52.86 1j6y n ARG 75 Cb 0.54 -2.26 0.19 0.00 -1.02 0.00 0.00 32.46 29.91 1j6y n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j6y n GLY 76 N -0.51 -0.75 0.00 -0.13 0.00 0.76 -4.20 105.19 100.36 1j6y n GLY 76 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1j6y n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6y n GLY 77 N -0.60 -0.09 3.23 -0.02 0.00 -1.26 -4.37 105.19 102.08 1j6y n GLY 77 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1j6y n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j6y s ASP 78 N -1.49 0.61 0.00 1.61 1.11 -1.26 -3.27 116.67 113.99 1j6y s ASP 78 Ca 0.00 -1.33 0.00 0.00 0.18 0.00 0.00 52.55 51.40 1j6y s ASP 78 Cb 0.00 0.27 0.00 0.00 1.07 0.00 0.00 42.92 44.26 1j6y s ASP 78 CO 0.00 -0.75 0.13 0.18 1.18 0.00 0.00 175.17 175.90 1j6y n LEU 79 N -0.29 0.32 0.00 1.23 4.32 0.29 -4.90 117.00 117.97 1j6y n LEU 79 Ca -0.01 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1j6y n LEU 79 Cb 0.65 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1j6y n LEU 79 CO 0.34 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 1j6y n GLY 80 N 1.65 0.17 3.30 -0.72 0.00 -1.13 -4.96 105.19 103.49 1j6y n GLY 80 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1j6y n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j6y s SER 81 N -4.00 -0.40 0.00 1.61 1.04 -1.26 -2.72 113.70 107.97 1j6y s SER 81 Ca 0.00 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1j6y s SER 81 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1j6y s SER 81 CO 0.00 -0.19 0.00 2.22 0.98 0.00 0.00 173.24 176.25 1j6y n PHE 82 N 2.60 -0.59 0.00 5.02 -1.74 -1.10 -4.92 117.46 116.73 1j6y n PHE 82 Ca -0.14 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.75 1j6y n PHE 82 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 1j6y n PHE 82 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1j6y n GLY 83 N 0.00 -1.81 0.00 4.97 0.00 -1.26 0.56 105.19 107.64 1j6y n GLY 83 Ca 0.00 0.71 0.07 0.00 0.00 0.00 0.00 46.02 46.80 1j6y n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j6y n ARG 84 N 0.00 0.24 -2.91 1.61 3.00 -1.26 -4.75 116.66 112.59 1j6y n ARG 84 Ca 0.00 0.13 -0.10 0.00 -0.01 0.00 0.00 57.85 57.87 1j6y n ARG 84 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.93 1j6y n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j6y n GLY 85 N -0.03 3.83 0.97 -0.13 0.00 -1.26 -5.09 105.19 103.47 1j6y n GLY 85 Ca 0.08 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1j6y n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j6y n GLN 86 N -0.37 -1.90 0.00 1.61 1.13 -1.26 -4.82 117.38 111.77 1j6y n GLN 86 Ca -0.03 1.29 0.00 0.00 -1.94 0.00 0.00 57.00 56.31 1j6y n GLN 86 Cb 0.23 -2.34 0.00 0.00 0.11 0.00 0.00 30.24 28.23 1j6y n GLN 86 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1j6y n MET 87 N -3.01 0.00 0.00 -1.09 2.81 -1.26 -4.88 117.12 109.68 1j6y n MET 87 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1j6y n MET 87 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 1j6y n MET 87 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1j6y n GLN 88 N 0.00 0.28 0.07 0.03 6.02 -1.26 -5.01 117.38 117.50 1j6y n GLN 88 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1j6y n GLN 88 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1j6y n GLN 88 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1j6y h LYS 89 N 0.00 0.32 0.04 -1.09 3.64 -1.99 -3.16 116.57 114.32 1j6y h LYS 89 Ca 0.00 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1j6y h LYS 89 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1j6y h LYS 89 CO 0.00 0.89 -0.02 -1.00 -2.27 0.00 0.00 179.45 177.06 1j6y h PRO 90 N 0.22 -0.05 -0.40 1.90 0.13 -1.97 -2.94 132.00 128.89 1j6y h PRO 90 Ca -0.02 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.16 1j6y h PRO 90 Cb 1.25 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1j6y h PRO 90 CO 0.11 -0.03 -0.50 0.35 -0.23 0.00 0.00 178.00 177.70 1j6y h PHE 91 N -0.11 -1.54 -0.73 1.56 3.04 -1.94 -1.72 116.94 115.51 1j6y h PHE 91 Ca -0.00 0.08 0.07 0.00 3.98 0.00 0.00 57.97 62.09 1j6y h PHE 91 Cb 0.04 0.72 -0.10 0.00 2.56 0.00 0.00 35.95 39.17 1j6y h PHE 91 CO 0.08 -0.43 -0.56 1.49 -2.02 0.00 0.00 178.31 176.87 1j6y h GLU 92 N -0.33 -0.15 -0.21 1.11 4.81 -1.71 2.21 114.58 120.31 1j6y h GLU 92 Ca 0.07 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1j6y h GLU 92 Cb 0.52 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1j6y h GLU 92 CO -0.55 -0.10 0.52 1.49 -0.73 0.00 0.00 179.01 179.64 1j6y h GLU 93 N -0.16 0.00 0.37 1.92 4.57 -1.17 0.42 114.58 120.53 1j6y h GLU 93 Ca 0.12 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1j6y h GLU 93 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1j6y h GLU 93 CO -0.78 0.00 -0.18 0.00 -1.18 0.00 0.00 179.01 176.87 1j6y h ALA 94 N 1.15 -0.50 0.00 2.92 0.00 0.45 0.28 119.26 123.56 1j6y h ALA 94 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1j6y h ALA 94 Cb 1.14 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1j6y h ALA 94 CO -0.00 -0.49 -0.24 1.15 0.00 0.00 0.00 179.25 179.67 1j6y h THR 95 N -1.09 0.71 0.00 0.00 2.02 -0.62 -1.89 112.91 112.03 1j6y h THR 95 Ca -0.05 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1j6y h THR 95 Cb 0.45 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1j6y h THR 95 CO 0.08 0.24 -0.42 1.88 0.37 0.00 0.00 175.52 177.67 1j6y h TYR 96 N 0.00 0.00 0.04 3.16 0.05 -0.25 -3.30 116.97 116.68 1j6y h TYR 96 Ca -0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.50 1j6y h TYR 96 Cb 0.63 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 1j6y h TYR 96 CO 0.00 0.33 -1.47 0.00 -1.05 0.00 0.00 178.16 175.97 1j6y h ALA 97 N 1.67 0.48 -1.88 3.88 0.00 0.23 -3.47 119.26 120.18 1j6y h ALA 97 Ca -0.01 -1.20 -0.44 0.00 0.00 0.00 0.00 54.91 53.26 1j6y h ALA 97 Cb 1.26 0.26 0.05 0.00 0.00 0.00 0.00 17.79 19.36 1j6y h ALA 97 CO 0.04 1.34 -0.01 -1.17 0.00 0.00 0.00 179.25 179.45 1j6y s LEU 98 N -6.59 3.22 -0.41 0.00 0.20 -0.77 -5.06 118.68 109.26 1j6y s LEU 98 Ca -0.05 0.02 0.09 0.00 0.69 0.00 0.00 54.13 54.88 1j6y s LEU 98 Cb 0.08 -2.88 0.33 0.00 -0.43 0.00 0.00 46.19 43.29 1j6y s LEU 98 CO 0.83 -1.20 0.89 0.29 -0.29 0.00 0.00 176.35 176.87 1j6y n LYS 99 N -2.41 0.97 -2.70 1.98 4.76 -1.26 -4.92 118.16 114.57 1j6y n LYS 99 Ca 0.08 -2.68 -0.04 0.00 -2.87 0.00 0.00 58.31 52.80 1j6y n LYS 99 Cb 0.60 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.37 1j6y n LYS 99 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1j6y n VAL 100 N 0.43-11.09 0.00 -0.18 0.31 -1.26 -4.95 118.33 101.59 1j6y n VAL 100 Ca 0.16 2.21 0.00 0.00 -0.01 0.00 0.00 64.34 66.70 1j6y n VAL 100 Cb 0.67 -6.09 0.00 0.00 -0.91 0.00 0.00 33.84 27.51 1j6y n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j6y n GLY 101 N 1.57 0.00 0.00 2.92 0.00 -1.26 -4.87 105.19 103.54 1j6y n GLY 101 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1j6y n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j6y n ASP 102 N 0.00 0.00 -2.09 1.61 8.00 -1.26 -5.01 116.55 117.80 1j6y n ASP 102 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 1j6y n ASP 102 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1j6y n ASP 102 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1j6y n ILE 103 N 0.00 -2.76 -1.20 0.53 5.41 -1.26 -3.23 119.36 116.85 1j6y n ILE 103 Ca 0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 62.75 63.48 1j6y n ILE 103 Cb 0.00 -3.65 -0.01 0.00 -0.71 0.00 0.00 39.64 35.26 1j6y n ILE 103 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1j6y n SER 104 N -1.96 -0.89 0.00 4.38 3.41 -1.21 -3.97 113.62 113.38 1j6y n SER 104 Ca -0.13 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1j6y n SER 104 Cb 0.58 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1j6y n SER 104 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j6y n ASP 105 N 0.47 0.00 -4.73 4.04 8.00 -1.20 -4.50 116.55 118.64 1j6y n ASP 105 Ca -0.03 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 1j6y n ASP 105 Cb 0.14 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.33 1j6y n ASP 105 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1j6y s ILE 106 N 0.00 2.58 -0.40 0.53 -0.00 -1.26 -4.58 121.20 118.08 1j6y s ILE 106 Ca 0.00 0.26 0.07 0.00 -0.00 0.00 0.00 60.65 60.98 1j6y s ILE 106 Cb 0.00 -2.73 0.23 0.00 -0.00 0.00 0.00 42.46 39.96 1j6y s ILE 106 CO 0.00 -0.18 0.47 0.52 -0.00 0.00 0.00 174.94 175.75 1j6y n VAL 107 N -2.94 -0.85 -2.11 8.37 0.31 -0.21 -4.91 118.33 115.99 1j6y n VAL 107 Ca 0.12 -3.84 -0.41 0.00 -0.01 0.00 0.00 64.34 60.20 1j6y n VAL 107 Cb 0.51 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1j6y n VAL 107 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1j6y s ASP 108 N -0.81 5.72 0.00 4.52 -4.77 -1.26 0.02 116.67 120.09 1j6y s ASP 108 Ca 0.34 0.73 0.00 0.00 -3.30 0.00 0.00 52.55 50.33 1j6y s ASP 108 Cb 0.13 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.43 1j6y s ASP 108 CO -0.14 -1.94 0.00 0.35 0.70 0.00 0.00 175.17 174.14 1j6y n THR 109 N 7.23 0.00 -0.92 2.11 -2.24 0.23 -4.92 114.28 115.77 1j6y n THR 109 Ca 0.20 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.63 1j6y n THR 109 Cb 0.49 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1j6y n THR 109 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1j6y n ASP 110 N -0.99 -4.32 0.00 3.42 5.68 -1.26 -1.53 116.55 117.55 1j6y n ASP 110 Ca 0.00 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1j6y n ASP 110 Cb 0.00 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 1j6y n ASP 110 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1j6y n SER 111 N 1.41 0.00 0.00 -1.12 7.64 -1.26 -4.68 113.62 115.61 1j6y n SER 111 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1j6y n SER 111 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1j6y n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j6y n GLY 112 N 0.00 -0.70 3.80 0.23 0.00 -0.58 -4.52 105.19 103.42 1j6y n GLY 112 Ca 0.00 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1j6y n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j6y s VAL 113 N -4.00 5.40 0.45 1.61 -7.23 -1.25 0.78 120.40 116.16 1j6y s VAL 113 Ca 0.00 0.31 0.04 0.00 -1.81 0.00 0.00 61.98 60.52 1j6y s VAL 113 Cb 0.00 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 1j6y s VAL 113 CO 0.00 0.52 0.02 -1.00 -0.31 0.00 0.00 175.10 174.33 1j6y s HIS 114 N -0.36 2.11 -0.11 2.82 4.02 0.10 -1.94 115.29 121.93 1j6y s HIS 114 Ca 0.14 -0.88 -0.02 0.00 1.02 0.00 0.00 55.06 55.31 1j6y s HIS 114 Cb -0.12 -1.60 0.04 0.00 -1.02 0.00 0.00 32.58 29.87 1j6y s HIS 114 CO 0.03 0.24 0.03 0.96 1.02 0.00 0.00 174.74 177.02 1j6y s ILE 115 N -2.88 0.29 0.29 0.60 -4.36 -1.11 -1.04 121.20 113.00 1j6y s ILE 115 Ca 0.21 -0.06 0.06 0.00 -0.26 0.00 0.00 60.65 60.60 1j6y s ILE 115 Cb 0.05 -0.62 -0.02 0.00 1.25 0.00 0.00 42.46 43.12 1j6y s ILE 115 CO 0.11 0.06 0.38 -0.63 0.24 0.00 0.00 174.94 175.09 1j6y s ILE 116 N 1.99 4.46 0.24 8.37 1.01 -1.25 -2.39 121.20 133.62 1j6y s ILE 116 Ca 0.03 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1j6y s ILE 116 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1j6y s ILE 116 CO -0.06 -0.24 0.16 -0.54 0.00 0.00 0.00 174.94 174.26 1j6y s LYS 117 N -4.04 1.36 0.32 2.79 1.02 -1.11 -3.30 119.74 116.77 1j6y s LYS 117 Ca 0.39 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.64 1j6y s LYS 117 Cb -0.09 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1j6y s LYS 117 CO 0.29 -0.45 0.00 -2.13 -0.92 0.00 0.00 175.35 172.14 1j6y n ARG 118 N -0.37 0.00 0.00 1.68 0.63 -1.26 -2.72 116.66 114.62 1j6y n ARG 118 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1j6y n ARG 118 Cb 0.65 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.56 1j6y n ARG 118 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1j6y n THR 119 N -3.45 0.00 -0.46 5.15 -1.04 -1.26 -4.96 114.28 108.26 1j6y n THR 119 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j6y n THR 119 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j6y n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43