#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 -3.25 0.00 -1.40 0.00 -1.26 -5.07 117.12 106.13 1j6y n MET 2 Ca 0.00 2.47 0.00 0.00 -0.00 0.00 0.00 57.70 60.17 1j6y n MET 2 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 33.22 30.30 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 -1.59 0.00 -3.00 -5.12 0.00 -1.26 -5.17 120.51 104.38 1j6y n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j6y n ALA 3 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.12 0.93 -4.19 0.00 2.88 -1.26 -5.18 113.62 106.69 1j6y n SER 4 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1j6y n SER 4 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1j6y n SER 4 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j6y s ARG 5 N 1.05 1.88 0.00 -1.46 0.52 -1.26 -5.13 118.95 114.55 1j6y s ARG 5 Ca 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 1j6y s ARG 5 Cb 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.81 1j6y s ARG 5 CO 0.00 -0.43 0.00 -0.25 0.02 0.00 0.00 175.30 174.64 1j6y n ASP 6 N -1.19 0.00 -2.11 0.23 9.92 -1.26 -5.13 116.55 117.01 1j6y n ASP 6 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1j6y n ASP 6 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 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 0.00 -4.34 -3.86 -1.24 7.27 -1.26 -4.89 117.38 109.06 1j6y n GLN 7 Ca 0.00 3.09 -0.35 0.00 0.07 0.00 0.00 57.00 59.80 1j6y n GLN 7 Cb 0.00 -3.66 -0.13 0.00 2.41 0.00 0.00 30.24 28.86 1j6y n GLN 7 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1j6y s VAL 8 N -0.44 3.09 0.76 1.69 0.11 -1.18 -4.69 120.40 119.75 1j6y s VAL 8 Ca 0.00 -1.70 -0.12 0.00 -2.93 0.00 0.00 61.98 57.23 1j6y s VAL 8 Cb 0.00 -2.95 0.05 0.00 -1.53 0.00 0.00 36.38 31.95 1j6y s VAL 8 CO 0.00 -0.37 1.11 -0.54 -3.33 0.00 0.00 175.10 171.96 1j6y s LYS 9 N 1.19 2.42 0.00 1.54 1.02 -1.25 -2.62 119.74 122.05 1j6y s LYS 9 Ca 0.01 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1j6y s LYS 9 Cb -0.21 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1j6y s LYS 9 CO -0.03 -1.35 0.00 0.00 -0.92 0.00 0.00 175.35 173.06 1j6y n ALA 10 N -3.22 0.00 -2.50 5.17 0.00 -1.10 -4.87 120.51 113.98 1j6y n ALA 10 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 1j6y n ALA 10 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 4.47 0.03 0.00 1.04 -1.01 -0.34 113.70 117.89 1j6y s SER 11 Ca 0.00 -1.32 -0.29 0.00 0.48 0.00 0.00 55.95 54.82 1j6y s SER 11 Cb 0.00 0.28 0.10 0.00 0.10 0.00 0.00 66.02 66.51 1j6y s SER 11 CO 0.00 -0.94 1.22 -1.38 0.98 0.00 0.00 173.24 173.12 1j6y s HIS 12 N -2.77 -0.04 0.28 5.02 -3.43 -1.21 -2.53 115.29 110.61 1j6y s HIS 12 Ca 0.28 -0.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.36 1j6y s HIS 12 Cb -0.00 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.71 1j6y s HIS 12 CO 0.17 -0.42 0.39 0.42 -2.00 0.00 0.00 174.74 173.30 1j6y s ILE 13 N -2.49 0.00 -0.08 -5.38 1.01 -0.94 -4.75 121.20 108.56 1j6y s ILE 13 Ca 0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.14 1j6y s ILE 13 Cb 0.03 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 40.09 1j6y s ILE 13 CO -0.02 0.00 0.12 -0.22 0.00 0.00 0.00 174.94 174.83 1j6y s LEU 14 N -3.15 0.03 0.10 2.97 2.96 0.15 -0.72 118.68 121.02 1j6y s LEU 14 Ca 0.30 0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 54.23 1j6y s LEU 14 Cb 0.01 0.10 -0.06 0.00 0.50 0.00 0.00 46.19 46.74 1j6y s LEU 14 CO 0.15 -0.26 0.48 -0.63 -1.32 0.00 0.00 176.35 174.77 1j6y s ILE 15 N 2.24 4.95 0.51 6.68 1.01 0.18 -2.91 121.20 133.86 1j6y s ILE 15 Ca 0.04 0.72 -0.19 0.00 0.00 0.00 0.00 60.65 61.22 1j6y s ILE 15 Cb -0.12 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 1j6y s ILE 15 CO -0.05 0.31 1.03 -1.59 0.00 0.00 0.00 174.94 174.64 1j6y s LYS 16 N -1.80 3.75 0.06 2.79 -2.85 -1.26 -4.17 119.74 116.26 1j6y s LYS 16 Ca 0.34 1.28 -0.08 0.00 -1.00 0.00 0.00 55.97 56.51 1j6y s LYS 16 Cb -0.15 -2.09 0.03 0.00 -2.06 0.00 0.00 37.83 33.56 1j6y s LYS 16 CO 0.18 -0.47 0.39 -2.39 0.10 0.00 0.00 175.35 173.16 1j6y n HIS 17 N -1.21 -0.80 -0.19 1.78 1.44 -1.26 -4.79 115.22 110.18 1j6y n HIS 17 Ca 0.09 -0.45 -0.01 0.00 -2.01 0.00 0.00 57.72 55.35 1j6y n HIS 17 Cb 0.53 0.22 0.10 0.00 0.12 0.00 0.00 29.99 30.95 1j6y n HIS 17 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1j6y h GLN 18 N 0.00 0.36 0.00 -1.40 -0.00 -1.70 -3.45 115.11 108.93 1j6y h GLN 18 Ca -0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1j6y h GLN 18 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.84 1j6y h GLN 18 CO 0.13 0.24 0.00 0.41 0.00 0.00 0.00 178.83 179.61 1j6y n GLY 19 N -1.29 1.75 2.69 2.39 0.00 -1.26 -4.28 105.19 105.18 1j6y n GLY 19 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1j6y n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j6y n SER 20 N -0.20 -1.35 -4.08 1.61 2.88 -1.26 -5.04 113.62 106.18 1j6y n SER 20 Ca 0.00 -2.29 -0.09 0.00 -1.33 0.00 0.00 58.87 55.16 1j6y n SER 20 Cb 0.00 0.69 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 1j6y n SER 20 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j6y s ARG 21 N -0.16 0.90 -0.03 -1.46 0.52 -1.26 -5.02 118.95 112.44 1j6y s ARG 21 Ca 0.14 -1.31 0.04 0.00 -0.52 0.00 0.00 55.73 54.08 1j6y s ARG 21 Cb 0.43 0.27 0.17 0.00 0.52 0.00 0.00 34.95 36.33 1j6y s ARG 21 CO -0.11 -0.26 0.96 2.89 0.02 0.00 0.00 175.30 178.80 1j6y n ARG 22 N -0.07 1.62 -3.16 3.54 1.85 -1.26 -4.94 116.66 114.24 1j6y n ARG 22 Ca -0.08 -0.65 -0.15 0.00 -1.00 0.00 0.00 57.85 55.96 1j6y n ARG 22 Cb 0.63 -1.39 0.02 0.00 -1.05 0.00 0.00 32.46 30.67 1j6y n ARG 22 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1j6y n LYS 23 N 0.06 -1.81 -3.16 2.89 5.02 -1.26 -5.01 118.16 114.89 1j6y n LYS 23 Ca 0.06 1.61 0.05 0.00 -2.02 0.00 0.00 58.31 58.01 1j6y n LYS 23 Cb 0.29 -3.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.27 1j6y n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j6y s ALA 24 N -1.59 -3.72 0.00 7.82 0.00 -1.26 -5.06 121.76 117.95 1j6y s ALA 24 Ca 0.19 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1j6y s ALA 24 Cb -0.03 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1j6y s ALA 24 CO 0.59 -1.35 0.00 0.43 0.00 0.00 0.00 175.76 175.43 1j6y n SER 25 N 5.22 0.00 -3.06 0.00 7.64 -1.26 -5.11 113.62 117.05 1j6y n SER 25 Ca -0.08 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 1j6y n SER 25 Cb 0.55 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.88 1j6y n SER 25 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1j6y n TRP 26 N -1.12 -3.38 -3.48 1.43 5.03 -1.26 -5.00 117.44 109.67 1j6y n TRP 26 Ca 0.00 -0.50 -0.27 0.00 3.03 0.00 0.00 57.50 59.76 1j6y n TRP 26 Cb 0.00 -0.60 -0.09 0.00 -1.03 0.00 0.00 31.31 29.59 1j6y n TRP 26 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1j6y n LYS 27 N -3.35 1.74 0.00 -0.99 5.02 -1.26 -4.83 118.16 114.48 1j6y n LYS 27 Ca 0.08 -4.17 0.00 0.00 -2.02 0.00 0.00 58.31 52.20 1j6y n LYS 27 Cb 0.31 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1j6y n ASP 28 N 1.42 0.00 -4.75 4.39 8.00 -1.26 -5.13 116.55 119.23 1j6y n ASP 28 Ca 0.26 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.35 1j6y n ASP 28 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1j6y n ASP 28 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1j6y s PRO 29 N 0.00 4.51 0.00 -0.24 0.04 -1.26 -4.91 135.00 133.14 1j6y s PRO 29 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1j6y s PRO 29 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1j6y s PRO 29 CO 0.00 -0.01 0.00 0.39 0.04 0.00 0.00 177.00 177.42 1j6y n GLU 30 N 1.76 0.00 -0.03 4.56 1.02 -1.26 -4.89 120.64 121.80 1j6y n GLU 30 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1j6y n GLU 30 Cb 0.44 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1j6y n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j6y n GLY 31 N 0.54 -1.93 0.00 0.62 0.00 -1.26 -4.96 105.19 98.20 1j6y n GLY 31 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1j6y n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j6y n LYS 32 N -0.51 3.00 -4.02 1.61 4.01 -1.26 -5.10 118.16 115.89 1j6y n LYS 32 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 1j6y n LYS 32 Cb 0.01 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.45 1j6y n LYS 32 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1j6y s ILE 33 N 1.65 4.92 -0.32 -0.18 1.01 -1.26 -4.99 121.20 122.03 1j6y s ILE 33 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 60.65 60.83 1j6y s ILE 33 Cb 0.00 -3.18 0.46 0.00 0.01 0.00 0.00 42.46 39.75 1j6y s ILE 33 CO 0.00 0.52 1.03 0.00 0.00 0.00 0.00 174.94 176.49 1j6y n ILE 34 N 2.92 0.89 -1.63 2.92 0.13 -1.26 -5.10 119.36 118.22 1j6y n ILE 34 Ca -0.18 -2.81 -0.63 0.00 -1.10 0.00 0.00 62.75 58.04 1j6y n ILE 34 Cb 0.53 0.80 -0.09 0.00 -0.84 0.00 0.00 39.64 40.05 1j6y n ILE 34 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1j6y n LEU 35 N -0.23 0.80 0.00 9.51 4.32 -1.26 -4.82 117.00 125.32 1j6y n LEU 35 Ca 0.07 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 57.22 1j6y n LEU 35 Cb 0.82 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1j6y n LEU 35 CO 0.19 -1.27 0.00 1.07 -1.22 0.00 0.00 177.39 176.16 1j6y n THR 36 N 2.91 0.00 -1.35 -5.08 5.66 -1.26 -5.10 114.28 110.06 1j6y n THR 36 Ca 0.25 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.87 1j6y n THR 36 Cb 0.02 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.83 1j6y n THR 36 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1j6y n THR 37 N 0.00 1.17 -3.96 1.09 -1.04 -1.26 -4.85 114.28 105.43 1j6y n THR 37 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1j6y n THR 37 Cb 0.00 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1j6y n THR 37 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1j6y n THR 38 N -1.63 0.00 0.07 12.58 -2.24 -1.26 -2.53 114.28 119.27 1j6y n THR 38 Ca 0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1j6y n THR 38 Cb 0.47 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 1j6y n THR 38 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1j6y h ARG 39 N 0.00 -0.58 0.67 -0.78 2.43 -1.93 1.26 114.38 115.45 1j6y h ARG 39 Ca 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1j6y h ARG 39 Cb 0.00 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1j6y h ARG 39 CO 0.00 -0.38 -0.32 1.49 -1.51 0.00 0.00 179.97 179.24 1j6y h GLU 40 N -0.60 -0.87 -0.85 0.20 4.81 -2.00 -2.70 114.58 112.57 1j6y h GLU 40 Ca 0.00 0.06 0.21 0.00 -0.13 0.00 0.00 59.36 59.50 1j6y h GLU 40 Cb 0.62 0.20 -0.15 0.00 0.63 0.00 0.00 28.75 30.04 1j6y h GLU 40 CO -0.27 -0.58 0.01 0.00 -0.73 0.00 0.00 179.01 177.44 1j6y h ALA 41 N -1.45 0.93 -0.29 2.92 0.00 -1.93 0.16 119.26 119.60 1j6y h ALA 41 Ca -0.09 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1j6y h ALA 41 Cb 0.69 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1j6y h ALA 41 CO 0.15 -0.47 -0.39 0.00 0.00 0.00 0.00 179.25 178.55 1j6y h ALA 42 N 1.82 -0.40 -0.93 0.00 0.00 0.17 1.07 119.26 120.99 1j6y h ALA 42 Ca 0.49 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.54 1j6y h ALA 42 Cb 0.91 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1j6y h ALA 42 CO -0.77 -0.84 0.57 0.28 0.00 0.00 0.00 179.25 178.49 1j6y h VAL 43 N -0.36 0.95 -0.06 0.00 2.07 -0.41 -0.02 116.25 118.42 1j6y h VAL 43 Ca 0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1j6y h VAL 43 Cb 0.58 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1j6y h VAL 43 CO -0.49 0.17 0.02 -0.33 0.02 0.00 0.00 177.57 176.97 1j6y h GLU 44 N 0.95 0.09 -0.59 1.57 5.08 0.57 0.87 114.58 123.11 1j6y h GLU 44 Ca 0.44 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.96 1j6y h GLU 44 Cb 0.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1j6y h GLU 44 CO -0.24 0.25 0.43 1.96 -1.00 0.00 0.00 179.01 180.42 1j6y h GLN 45 N -0.09 0.00 0.00 2.33 7.50 0.22 -1.60 115.11 123.48 1j6y h GLN 45 Ca 0.02 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.06 1j6y h GLN 45 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1j6y h GLN 45 CO -0.00 0.00 -0.61 -0.07 -1.50 0.00 0.00 178.83 176.65 1j6y h LEU 46 N 0.00 0.00 -1.14 1.46 4.07 -0.08 -2.70 115.31 116.93 1j6y h LEU 46 Ca 0.28 -0.76 0.34 0.00 0.08 0.00 0.00 57.88 57.82 1j6y h LEU 46 Cb 1.15 -0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.75 1j6y h LEU 46 CO -0.00 1.24 0.64 0.50 -1.08 0.00 0.00 178.44 179.74 1j6y h LYS 47 N -1.00 0.28 0.00 1.13 3.64 0.15 0.94 116.57 121.71 1j6y h LYS 47 Ca -0.17 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 58.97 1j6y h LYS 47 Cb 1.15 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1j6y h LYS 47 CO -0.10 0.19 -1.12 0.77 -2.27 0.00 0.00 179.45 176.92 1j6y h SER 48 N 0.29 0.00 -0.20 4.20 0.02 -1.44 -2.77 113.55 113.65 1j6y h SER 48 Ca 0.73 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.65 1j6y h SER 48 Cb 1.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1j6y h SER 48 CO -0.52 0.97 -0.01 -0.29 -1.14 0.00 0.00 176.83 175.84 1j6y h ILE 49 N 0.00 1.26 0.00 3.27 -0.00 0.11 1.31 117.51 123.46 1j6y h ILE 49 Ca -0.06 -0.89 -0.06 0.00 -0.00 0.00 0.00 64.86 63.84 1j6y h ILE 49 Cb 1.79 1.45 -0.01 0.00 -0.00 0.00 0.00 36.82 40.06 1j6y h ILE 49 CO 0.12 0.27 -0.31 0.08 -0.00 0.00 0.00 178.15 178.31 1j6y h ARG 50 N 0.11 0.00 0.11 2.19 -0.00 -0.96 0.12 114.38 115.95 1j6y h ARG 50 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.03 1j6y h ARG 50 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 1j6y h ARG 50 CO 0.01 0.31 -0.05 1.49 -0.00 0.00 0.00 179.97 181.73 1j6y h GLU 51 N 0.00 -0.14 -0.32 0.08 4.57 -1.12 0.78 114.58 118.44 1j6y h GLU 51 Ca -0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1j6y h GLU 51 Cb 0.59 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1j6y h GLU 51 CO 0.04 0.37 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.75 1j6y h ASP 52 N -0.84 -0.23 0.58 1.04 5.19 0.19 0.64 116.42 122.99 1j6y h ASP 52 Ca -0.01 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1j6y h ASP 52 Cb 0.57 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1j6y h ASP 52 CO 0.02 -0.08 0.00 0.40 -3.12 0.00 0.00 179.24 176.47 1j6y h ILE 53 N 0.03 0.00 -0.05 0.35 2.04 -0.79 0.77 117.51 119.86 1j6y h ILE 53 Ca 0.15 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1j6y h ILE 53 Cb 0.22 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1j6y h ILE 53 CO -0.30 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.21 1j6y h VAL 54 N 0.00 1.45 -0.00 1.67 2.07 0.27 -2.93 116.25 118.78 1j6y h VAL 54 Ca 0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1j6y h VAL 54 Cb 0.29 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1j6y h VAL 54 CO 0.00 0.47 -0.57 -1.20 0.02 0.00 0.00 177.57 176.28 1j6y n SER 55 N -4.53 0.59 -3.36 0.57 7.64 -0.12 -4.63 113.62 109.77 1j6y n SER 55 Ca -0.08 -0.38 -0.16 0.00 1.01 0.00 0.00 58.87 59.25 1j6y n SER 55 Cb 0.45 0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 63.93 1j6y n SER 55 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1j6y s GLY 56 N -2.99 -0.07 -0.37 0.23 0.00 0.26 -5.03 107.32 99.37 1j6y s GLY 56 Ca 0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 1j6y s GLY 56 CO 0.72 2.75 1.46 1.17 0.00 0.00 0.00 173.10 179.20 1j6y n LYS 57 N 4.39 0.86 -0.98 2.90 3.00 -1.11 -3.66 118.16 123.57 1j6y n LYS 57 Ca 0.09 -0.87 -0.37 0.00 -0.00 0.00 0.00 58.31 57.17 1j6y n LYS 57 Cb 0.46 -2.16 0.04 0.00 0.00 0.00 0.00 35.03 33.37 1j6y n LYS 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j6y n ALA 58 N 4.55 -5.43 -0.35 3.14 0.00 -1.26 -4.70 120.51 116.47 1j6y n ALA 58 Ca 0.18 -0.92 0.23 0.00 0.00 0.00 0.00 53.44 52.93 1j6y n ALA 58 Cb 0.06 -1.08 0.47 0.00 0.00 0.00 0.00 19.45 18.91 1j6y n ALA 58 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1j6y h ASN 59 N -1.06 0.53 0.00 0.00 -1.24 -2.02 -3.44 115.58 108.35 1j6y h ASN 59 Ca -0.43 0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1j6y h ASN 59 Cb 1.33 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.44 1j6y h ASN 59 CO 0.23 0.01 0.00 0.33 -1.29 0.00 0.00 177.43 176.72 1j6y n PHE 60 N -4.83 0.00 0.00 0.67 -0.00 -1.26 -4.82 117.46 107.23 1j6y n PHE 60 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.74 1j6y n PHE 60 Cb 0.91 -1.29 0.00 0.00 -0.00 0.00 0.00 39.48 39.10 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 -1.38 0.00 -0.52 -4.13 1.02 -1.26 -3.02 120.64 111.34 1j6y n GLU 61 Ca 0.00 0.05 0.45 0.00 -0.02 0.00 0.00 57.16 57.64 1j6y n GLU 61 Cb 0.11 -0.33 0.76 0.00 -0.02 0.00 0.00 31.44 31.97 1j6y n GLU 61 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1j6y h GLU 62 N 0.00 0.00 0.30 3.49 4.81 -1.95 0.45 114.58 121.68 1j6y h GLU 62 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1j6y h GLU 62 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1j6y h GLU 62 CO 0.00 0.00 -0.14 0.28 -0.73 0.00 0.00 179.01 178.42 1j6y h VAL 63 N 0.00 0.53 -0.08 0.32 2.07 -1.95 -2.44 116.25 114.70 1j6y h VAL 63 Ca 0.76 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1j6y h VAL 63 Cb 3.17 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.79 1j6y h VAL 63 CO -0.01 0.12 0.12 0.00 0.02 0.00 0.00 177.57 177.83 1j6y h ALA 64 N -0.57 1.54 0.00 1.67 0.00 -0.10 0.33 119.26 122.13 1j6y h ALA 64 Ca -0.04 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1j6y h ALA 64 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1j6y h ALA 64 CO 0.07 -0.17 -0.82 1.79 0.00 0.00 0.00 179.25 180.11 1j6y h THR 65 N 0.00 1.47 0.00 0.00 1.35 -0.93 -3.30 112.91 111.50 1j6y h THR 65 Ca 0.04 -2.94 -0.38 0.00 -0.55 0.00 0.00 66.41 62.58 1j6y h THR 65 Cb 0.29 2.64 -0.06 0.00 -1.73 0.00 0.00 68.15 69.29 1j6y h THR 65 CO -0.00 0.81 -2.08 -1.14 -0.25 0.00 0.00 175.52 172.85 1j6y n ARG 66 N -3.38 0.58 -2.37 4.72 0.63 -0.06 -4.33 116.66 112.45 1j6y n ARG 66 Ca 0.00 0.37 -0.41 0.00 -0.92 0.00 0.00 57.85 56.89 1j6y n ARG 66 Cb 0.84 -1.59 0.01 0.00 0.45 0.00 0.00 32.46 32.17 1j6y n ARG 66 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1j6y n VAL 67 N -4.28 5.38 -4.40 5.15 3.14 0.95 -4.95 118.33 119.32 1j6y n VAL 67 Ca -0.46 -5.04 -0.20 0.00 -2.96 0.00 0.00 64.34 55.67 1j6y n VAL 67 Cb 0.82 -1.96 -0.10 0.00 -1.06 0.00 0.00 33.84 31.54 1j6y n VAL 67 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1j6y s SER 68 N -0.35 1.95 -0.68 6.55 1.04 -1.15 0.32 113.70 121.39 1j6y s SER 68 Ca 0.44 -1.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.24 1j6y s SER 68 Cb 0.15 0.16 -0.15 0.00 0.10 0.00 0.00 66.02 66.29 1j6y s SER 68 CO -0.06 -0.74 1.88 -0.67 0.98 0.00 0.00 173.24 174.63 1j6y n ASP 69 N -0.75 2.79 0.00 7.02 2.03 -1.26 -4.51 116.55 121.88 1j6y n ASP 69 Ca -0.02 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.76 1j6y n ASP 69 Cb 0.66 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.61 -0.98 0.00 0.87 -2.00 2.11 113.55 112.94 1j6y h SER 71 Ca 0.00 0.24 0.21 0.00 -1.23 0.00 0.00 61.79 61.01 1j6y h SER 71 Cb 0.00 0.46 -0.09 0.00 -0.44 0.00 0.00 62.40 62.33 1j6y h SER 71 CO 0.00 -0.26 0.62 -1.28 -0.53 0.00 0.00 176.83 175.38 1j6y h SER 72 N 0.03 0.58 -1.01 6.23 0.87 -1.52 1.01 113.55 119.74 1j6y h SER 72 Ca 0.43 0.08 0.23 0.00 -1.23 0.00 0.00 61.79 61.29 1j6y h SER 72 Cb 0.72 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.55 1j6y h SER 72 CO -0.81 0.19 0.62 0.00 -0.53 0.00 0.00 176.83 176.30 1j6y h ALA 73 N 1.63 1.86 -0.00 6.23 0.00 0.33 2.75 119.26 132.06 1j6y h ALA 73 Ca 0.55 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.41 1j6y h ALA 73 Cb 1.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1j6y h ALA 73 CO -0.30 -0.28 -0.67 -0.22 0.00 0.00 0.00 179.25 177.78 1j6y h LYS 74 N 0.60 0.01 -1.45 0.00 3.11 0.11 -3.18 116.57 115.77 1j6y h LYS 74 Ca 0.60 -0.01 -0.63 0.00 -2.81 0.00 0.00 60.65 57.81 1j6y h LYS 74 Cb 1.16 0.00 -0.38 0.00 -1.00 0.00 0.00 32.23 32.01 1j6y h LYS 74 CO -0.39 0.68 -0.25 -2.13 -2.81 0.00 0.00 179.45 174.55 1j6y n ARG 75 N -3.74 3.27 0.02 1.90 0.63 0.73 -4.77 116.66 114.70 1j6y n ARG 75 Ca -0.01 -4.15 0.05 0.00 -0.92 0.00 0.00 57.85 52.81 1j6y n ARG 75 Cb 0.66 -2.26 0.21 0.00 0.45 0.00 0.00 32.46 31.52 1j6y n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j6y n GLY 76 N -0.56 -0.80 0.00 5.14 0.00 0.75 -4.17 105.19 105.55 1j6y n GLY 76 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.70 -0.08 3.31 -0.02 0.00 -1.26 -4.56 105.19 101.87 1j6y n GLY 77 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1j6y n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j6y s ASP 78 N -1.49 0.13 0.00 1.61 1.47 -1.26 -3.32 116.67 113.82 1j6y s ASP 78 Ca 0.00 -1.27 0.00 0.00 1.18 0.00 0.00 52.55 52.46 1j6y s ASP 78 Cb 0.00 0.45 0.00 0.00 -0.34 0.00 0.00 42.92 43.03 1j6y s ASP 78 CO 0.00 -0.94 0.16 0.18 0.68 0.00 0.00 175.17 175.26 1j6y n LEU 79 N -0.31 1.63 0.00 2.11 4.32 0.54 -4.93 117.00 120.35 1j6y n LEU 79 Ca 0.01 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 1j6y n LEU 79 Cb 0.65 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1j6y n LEU 79 CO 0.30 -0.14 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 1j6y n GLY 80 N 1.60 -0.42 3.20 -0.72 0.00 -1.22 -4.97 105.19 102.65 1j6y n GLY 80 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.36 -0.32 1.61 1.04 -1.26 -2.73 113.70 107.69 1j6y s SER 81 Ca 0.00 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.13 1j6y s SER 81 Cb 0.00 0.64 0.19 0.00 0.10 0.00 0.00 66.02 66.95 1j6y s SER 81 CO 0.00 -0.14 0.70 0.72 0.98 0.00 0.00 173.24 175.51 1j6y s PHE 82 N 0.58 -1.52 0.00 5.02 -0.71 -1.08 -4.88 117.98 115.39 1j6y s PHE 82 Ca -0.03 0.73 0.00 0.00 -1.04 0.00 0.00 56.93 56.59 1j6y s PHE 82 Cb -0.05 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 42.03 1j6y s PHE 82 CO -0.03 -0.92 0.00 0.41 -1.34 0.00 0.00 175.22 173.33 1j6y n GLY 83 N 5.08 -1.88 2.76 1.99 0.00 -1.26 -3.08 105.19 108.79 1j6y n GLY 83 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 4.17 -3.82 1.61 5.12 -1.26 -4.48 116.66 118.00 1j6y n ARG 84 Ca 0.00 -4.70 -0.08 0.00 -1.93 0.00 0.00 57.85 51.15 1j6y n ARG 84 Cb 0.00 -2.38 0.02 0.00 -1.16 0.00 0.00 32.46 28.94 1j6y n ARG 84 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1j6y s GLY 85 N -2.20 0.28 0.00 -0.13 0.00 -1.26 -4.97 107.32 99.04 1j6y s GLY 85 Ca 0.40 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1j6y s GLY 85 CO -0.06 0.19 0.00 -1.06 0.00 0.00 0.00 173.10 172.17 1j6y n GLN 86 N -0.55 0.00 -4.12 2.90 6.02 -1.26 -4.69 117.38 115.68 1j6y n GLN 86 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 1j6y n GLN 86 Cb 0.60 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.73 1j6y n GLN 86 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j6y s MET 87 N 0.00 3.65 0.00 -1.09 -1.94 -1.26 -5.10 119.30 113.56 1j6y s MET 87 Ca 0.00 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1j6y s MET 87 Cb 0.00 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.78 1j6y s MET 87 CO 0.00 0.06 0.00 1.04 -0.01 0.00 0.00 175.02 176.11 1j6y n GLN 88 N 4.10 3.08 0.08 2.03 1.13 -1.26 -4.46 117.38 122.09 1j6y n GLN 88 Ca -0.17 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.00 1j6y n GLN 88 Cb 0.52 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.90 1j6y n GLN 88 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1j6y n LYS 89 N 0.00 0.51 0.09 -1.09 2.85 -1.26 -3.74 118.16 115.52 1j6y n LYS 89 Ca 0.00 0.09 -0.04 0.00 -1.05 0.00 0.00 58.31 57.31 1j6y n LYS 89 Cb 0.00 -1.76 -0.02 0.00 -0.65 0.00 0.00 35.03 32.60 1j6y n LYS 89 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1j6y h PRO 90 N 0.00 -0.27 0.56 -1.58 0.13 -1.98 -2.95 132.00 125.91 1j6y h PRO 90 Ca 0.00 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1j6y h PRO 90 Cb 0.92 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1j6y h PRO 90 CO 0.00 -0.18 -0.35 0.35 -0.23 0.00 0.00 178.00 177.59 1j6y h PHE 91 N -0.76 -0.93 -0.67 1.56 3.04 -1.90 -2.84 116.94 114.45 1j6y h PHE 91 Ca -0.03 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.97 1j6y h PHE 91 Cb 0.22 0.33 -0.08 0.00 2.56 0.00 0.00 35.95 38.98 1j6y h PHE 91 CO 0.02 -0.52 -0.39 0.39 -2.02 0.00 0.00 178.31 175.79 1j6y n GLU 92 N -4.56 -0.29 -0.29 1.11 1.02 -1.25 0.25 120.64 116.64 1j6y n GLU 92 Ca -0.10 1.30 0.34 0.00 -0.02 0.00 0.00 57.16 58.68 1j6y n GLU 92 Cb 0.36 -1.92 0.71 0.00 -0.02 0.00 0.00 31.44 30.56 1j6y n GLU 92 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1j6y h GLU 93 N 0.00 0.00 0.31 3.49 4.39 -1.51 1.02 114.58 122.28 1j6y h GLU 93 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1j6y h GLU 93 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1j6y h GLU 93 CO -0.63 0.00 -0.15 0.00 -1.16 0.00 0.00 179.01 177.07 1j6y h ALA 94 N 1.20 -0.41 0.00 3.43 0.00 0.37 0.63 119.26 124.47 1j6y h ALA 94 Ca 0.55 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 1j6y h ALA 94 Cb 2.42 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.36 1j6y h ALA 94 CO -0.01 -0.47 -0.43 1.15 0.00 0.00 0.00 179.25 179.50 1j6y h THR 95 N -0.94 1.18 0.00 0.00 2.02 -0.10 -2.21 112.91 112.85 1j6y h THR 95 Ca -0.04 -1.53 -0.09 0.00 0.77 0.00 0.00 66.41 65.52 1j6y h THR 95 Cb 0.51 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1j6y h THR 95 CO 0.07 0.42 -0.44 1.88 0.37 0.00 0.00 175.52 177.82 1j6y h TYR 96 N 0.00 0.00 0.00 3.16 0.05 0.95 -2.79 116.97 118.34 1j6y h TYR 96 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 1j6y h TYR 96 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1j6y h TYR 96 CO 0.00 0.44 -0.39 0.00 -1.05 0.00 0.00 178.16 177.16 1j6y h ALA 97 N 1.56 0.85 -2.60 3.88 0.00 -0.25 -3.44 119.26 119.26 1j6y h ALA 97 Ca -0.00 -0.36 -0.56 0.00 0.00 0.00 0.00 54.91 53.99 1j6y h ALA 97 Cb 1.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1j6y h ALA 97 CO 0.06 0.49 -0.10 -1.17 0.00 0.00 0.00 179.25 178.53 1j6y s LEU 98 N -6.69 4.34 0.00 0.00 2.96 -1.05 -5.06 118.68 113.18 1j6y s LEU 98 Ca 0.02 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1j6y s LEU 98 Cb 0.09 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.53 1j6y s LEU 98 CO 0.70 0.11 0.00 0.29 -1.32 0.00 0.00 176.35 176.13 1j6y n LYS 99 N 0.79 0.00 0.00 1.98 5.02 -1.26 -4.93 118.16 119.76 1j6y n LYS 99 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1j6y n LYS 99 Cb 0.52 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1j6y n LYS 99 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1j6y n VAL 100 N 0.00 0.00 0.00 -0.18 3.14 -1.26 -4.83 118.33 115.20 1j6y n VAL 100 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1j6y n VAL 100 Cb 0.00 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 1j6y n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j6y n GLY 101 N 2.54 1.33 4.31 7.55 0.00 -1.24 0.28 105.19 119.96 1j6y n GLY 101 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.62 -3.64 1.61 8.00 -1.26 -4.12 116.55 115.52 1j6y n ASP 102 Ca 0.00 0.15 -0.26 0.00 0.71 0.00 0.00 54.79 55.39 1j6y n ASP 102 Cb 0.00 -0.56 -0.17 0.00 -0.02 0.00 0.00 41.12 40.37 1j6y n ASP 102 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j6y s ILE 103 N -0.52 0.03 0.85 0.53 1.01 -1.26 -4.48 121.20 117.37 1j6y s ILE 103 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 1j6y s ILE 103 Cb 0.00 -0.62 -0.14 0.00 0.01 0.00 0.00 42.46 41.71 1j6y s ILE 103 CO 0.00 -0.22 -0.65 -0.24 0.00 0.00 0.00 174.94 173.83 1j6y n SER 104 N 5.24 -5.26 -3.55 3.58 2.88 -0.85 -4.96 113.62 110.70 1j6y n SER 104 Ca -0.07 0.23 -0.13 0.00 -1.33 0.00 0.00 58.87 57.57 1j6y n SER 104 Cb 0.49 -0.71 0.06 0.00 -0.75 0.00 0.00 64.21 63.30 1j6y n SER 104 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1j6y n ASP 105 N 3.09 0.91 -4.53 -3.46 5.75 -1.26 -4.67 116.55 112.37 1j6y n ASP 105 Ca -0.00 -1.73 -0.62 0.00 -0.01 0.00 0.00 54.79 52.43 1j6y n ASP 105 Cb 0.50 -0.35 -0.10 0.00 -1.03 0.00 0.00 41.12 40.15 1j6y n ASP 105 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1j6y n ILE 106 N -2.12 0.06 -3.68 2.12 -5.35 -1.26 -4.82 119.36 104.31 1j6y n ILE 106 Ca 0.10 -0.03 -0.37 0.00 -0.27 0.00 0.00 62.75 62.17 1j6y n ILE 106 Cb 0.35 -0.71 -0.09 0.00 -1.74 0.00 0.00 39.64 37.45 1j6y n ILE 106 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1j6y s VAL 107 N 4.60 3.90 -0.50 7.28 1.01 -1.11 -5.00 120.40 130.59 1j6y s VAL 107 Ca 1.10 -2.98 -0.19 0.00 0.00 0.00 0.00 61.98 59.90 1j6y s VAL 107 Cb -1.38 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 31.53 1j6y s VAL 107 CO 0.71 -0.90 0.64 -1.81 0.00 0.00 0.00 175.10 173.73 1j6y s ASP 108 N 0.73 6.24 0.00 3.32 1.11 -1.26 0.89 116.67 127.70 1j6y s ASP 108 Ca 0.18 -0.83 0.00 0.00 0.18 0.00 0.00 52.55 52.08 1j6y s ASP 108 Cb -0.19 -2.30 0.00 0.00 1.07 0.00 0.00 42.92 41.50 1j6y s ASP 108 CO -0.04 -0.89 0.00 1.07 1.18 0.00 0.00 175.17 176.49 1j6y n THR 109 N 5.67 0.00 0.00 -1.27 5.66 0.56 -4.92 114.28 119.97 1j6y n THR 109 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1j6y n THR 109 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1j6y n THR 109 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1j6y n ASP 110 N -0.02 0.00 -0.07 1.09 9.92 -1.26 -0.39 116.55 125.82 1j6y n ASP 110 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1j6y n ASP 110 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1j6y n ASP 110 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1j6y n SER 111 N 3.91 1.71 0.00 -2.24 7.64 -1.26 -5.08 113.62 118.30 1j6y n SER 111 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1j6y n SER 111 Cb 0.00 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 2.19 -0.15 3.22 0.23 0.00 0.47 -4.77 105.19 106.39 1j6y n GLY 112 Ca -0.23 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 2.11 2.37 0.48 1.61 -7.23 -1.26 0.21 120.40 118.68 1j6y s VAL 113 Ca 0.00 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 1j6y s VAL 113 Cb 0.00 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1j6y s VAL 113 CO 0.00 0.53 0.04 -1.00 -0.31 0.00 0.00 175.10 174.36 1j6y s HIS 114 N 0.76 1.87 0.26 2.82 4.02 0.26 -0.64 115.29 124.63 1j6y s HIS 114 Ca -0.07 -1.04 0.08 0.00 1.02 0.00 0.00 55.06 55.04 1j6y s HIS 114 Cb -0.16 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.58 29.86 1j6y s HIS 114 CO 0.00 0.08 -0.10 0.42 1.02 0.00 0.00 174.74 176.17 1j6y s ILE 115 N -2.97 1.77 -0.02 0.60 1.01 0.11 -2.74 121.20 118.95 1j6y s ILE 115 Ca 0.12 -2.18 -0.11 0.00 0.00 0.00 0.00 60.65 58.49 1j6y s ILE 115 Cb 0.02 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1j6y s ILE 115 CO 0.07 -0.39 0.23 -0.63 0.00 0.00 0.00 174.94 174.22 1j6y s ILE 116 N -2.94 0.06 0.28 2.92 1.01 -1.26 -2.22 121.20 119.05 1j6y s ILE 116 Ca 0.28 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1j6y s ILE 116 Cb 0.02 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1j6y s ILE 116 CO 0.11 -0.25 0.17 -0.54 0.00 0.00 0.00 174.94 174.43 1j6y s LYS 117 N -1.04 1.52 0.00 2.79 1.02 -1.05 -2.01 119.74 120.98 1j6y s LYS 117 Ca -0.11 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.02 1j6y s LYS 117 Cb -0.05 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1j6y s LYS 117 CO 0.02 -0.47 0.00 0.54 -0.92 0.00 0.00 175.35 174.53 1j6y n ARG 118 N -0.51 0.00 0.00 1.68 1.74 -1.25 -2.41 116.66 115.91 1j6y n ARG 118 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1j6y n ARG 118 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.09 1j6y n ARG 118 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1j6y n THR 119 N 0.00 0.00 -0.79 0.55 -1.04 0.79 -4.64 114.28 109.15 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