#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 0.67 0.06 -0.41 2.81 -1.26 -4.42 117.12 114.57 1j6y n MET 2 Ca 0.00 0.07 -0.06 0.00 -1.81 0.00 0.00 57.70 55.90 1j6y n MET 2 Cb 0.00 -1.52 -0.11 0.00 -0.71 0.00 0.00 33.22 30.88 1j6y n MET 2 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1j6y h ALA 3 N 0.50 0.41 -2.65 3.04 0.00 -2.11 -3.48 119.26 114.96 1j6y h ALA 3 Ca -0.56 -0.91 0.12 0.00 0.00 0.00 0.00 54.91 53.56 1j6y h ALA 3 Cb 2.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1j6y h ALA 3 CO -0.03 1.22 0.53 0.45 0.00 0.00 0.00 179.25 181.42 1j6y s SER 4 N -6.64 0.02 0.87 0.00 0.15 -1.26 -5.16 113.70 101.67 1j6y s SER 4 Ca 0.01 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1j6y s SER 4 Cb 0.10 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1j6y s SER 4 CO 0.81 -1.15 0.00 0.54 1.20 0.00 0.00 173.24 174.64 1j6y n ARG 5 N -0.68 -1.52 0.07 5.44 1.74 -1.26 -1.44 116.66 119.01 1j6y n ARG 5 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1j6y n ARG 5 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1j6y n ARG 5 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1j6y n ASP 6 N -2.61 -0.65 -4.74 0.55 8.00 -1.26 -3.75 116.55 112.08 1j6y n ASP 6 Ca 0.00 0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.51 1j6y n ASP 6 Cb 0.00 0.77 0.10 0.00 -0.02 0.00 0.00 41.12 41.96 1j6y n ASP 6 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1j6y s GLN 7 N -1.41 1.82 -0.56 -1.24 0.74 -1.26 -5.01 119.66 112.74 1j6y s GLN 7 Ca 0.00 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 1j6y s GLN 7 Cb 0.00 -2.15 0.14 0.00 1.10 0.00 0.00 33.01 32.11 1j6y s GLN 7 CO 0.00 -1.48 0.36 0.54 -0.55 0.00 0.00 175.29 174.16 1j6y s VAL 8 N -3.33 3.50 0.78 1.34 0.11 0.15 -4.83 120.40 118.11 1j6y s VAL 8 Ca 0.64 -2.75 -0.11 0.00 -2.93 0.00 0.00 61.98 56.83 1j6y s VAL 8 Cb -0.08 -3.32 0.06 0.00 -1.53 0.00 0.00 36.38 31.50 1j6y s VAL 8 CO 0.46 -0.82 1.08 -0.54 -3.33 0.00 0.00 175.10 171.95 1j6y s LYS 9 N 0.24 2.22 0.00 1.54 1.02 -1.25 -2.83 119.74 120.68 1j6y s LYS 9 Ca 0.15 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1j6y s LYS 9 Cb -0.21 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1j6y s LYS 9 CO -0.03 -1.60 0.00 0.00 -0.92 0.00 0.00 175.35 172.80 1j6y n ALA 10 N -3.46 0.00 -4.19 5.17 0.00 -1.11 -4.91 120.51 112.00 1j6y n ALA 10 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1j6y n ALA 10 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1j6y n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j6y n SER 11 N 0.00 2.12 -3.63 0.00 3.41 -0.95 0.54 113.62 115.11 1j6y n SER 11 Ca 0.00 -1.94 -0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1j6y n SER 11 Cb 0.00 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1j6y n SER 11 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1j6y s HIS 12 N -1.91 -0.07 0.28 7.33 -3.43 -1.21 -2.76 115.29 113.52 1j6y s HIS 12 Ca 0.03 -0.04 -0.08 0.00 -0.80 0.00 0.00 55.06 54.16 1j6y s HIS 12 Cb 0.00 0.55 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1j6y s HIS 12 CO 0.02 -0.32 0.45 0.42 -2.00 0.00 0.00 174.74 173.31 1j6y s ILE 13 N -2.51 0.00 -0.07 -5.38 1.01 -0.88 -4.72 121.20 108.64 1j6y s ILE 13 Ca 0.13 -1.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.21 1j6y s ILE 13 Cb 0.03 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 40.12 1j6y s ILE 13 CO -0.04 0.00 0.18 -0.22 0.00 0.00 0.00 174.94 174.87 1j6y s LEU 14 N -3.11 1.03 0.00 2.97 2.96 0.24 -1.51 118.68 121.27 1j6y s LEU 14 Ca 0.27 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1j6y s LEU 14 Cb 0.00 0.58 0.00 0.00 0.50 0.00 0.00 46.19 47.27 1j6y s LEU 14 CO 0.13 -0.10 0.00 -0.38 -1.32 0.00 0.00 176.35 174.68 1j6y n ILE 15 N 3.46 0.00 -3.54 6.68 5.41 -1.03 -2.68 119.36 127.67 1j6y n ILE 15 Ca -0.18 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.44 1j6y n ILE 15 Cb 0.56 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.44 1j6y n ILE 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1j6y s LYS 16 N 2.62 0.84 0.00 0.38 3.01 -1.26 -4.84 119.74 120.49 1j6y s LYS 16 Ca 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 55.97 55.11 1j6y s LYS 16 Cb 0.00 0.39 0.00 0.00 -1.01 0.00 0.00 37.83 37.21 1j6y s LYS 16 CO 0.00 -0.27 0.00 -2.39 0.51 0.00 0.00 175.35 173.20 1j6y n HIS 17 N 0.71 0.00 0.00 3.18 1.44 -1.26 -4.58 115.22 114.71 1j6y n HIS 17 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 1j6y n HIS 17 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 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 0.00 0.00 -1.40 1.13 -1.24 -4.34 117.38 111.53 1j6y n GLN 18 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1j6y n GLN 18 Cb 0.00 -0.36 0.00 0.00 0.11 0.00 0.00 30.24 29.99 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 1.79 1.19 0.00 1.08 0.00 -1.26 -1.37 105.19 106.62 1j6y n GLY 19 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 5.52 4.76 -1.87 1.61 2.88 -1.26 -5.07 113.62 120.19 1j6y n SER 20 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1j6y n SER 20 Cb 0.00 1.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 1j6y n SER 20 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j6y n ARG 21 N -1.58 2.07 0.00 -1.46 1.74 -0.47 -5.08 116.66 111.88 1j6y n ARG 21 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j6y n ARG 21 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 1j6y n ARG 21 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1j6y n ARG 22 N -0.06 2.51 -3.78 5.56 0.00 -1.26 -4.30 116.66 115.33 1j6y n ARG 22 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 1j6y n ARG 22 Cb 0.00 -0.78 -0.02 0.00 -0.00 0.00 0.00 32.46 31.66 1j6y n ARG 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1j6y s LYS 23 N -1.24 1.36 -1.28 2.89 1.02 -1.26 -4.58 119.74 116.66 1j6y s LYS 23 Ca 0.00 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 1j6y s LYS 23 Cb 0.00 0.47 0.16 0.00 -0.52 0.00 0.00 37.83 37.94 1j6y s LYS 23 CO 0.00 -0.62 2.13 0.00 -0.92 0.00 0.00 175.35 175.94 1j6y n ALA 24 N -0.47 6.21 -1.58 5.17 0.00 -1.26 -5.00 120.51 123.58 1j6y n ALA 24 Ca -0.06 -4.24 -0.41 0.00 0.00 0.00 0.00 53.44 48.74 1j6y n ALA 24 Cb 0.60 -2.77 0.01 0.00 0.00 0.00 0.00 19.45 17.29 1j6y n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j6y n SER 25 N 2.26 0.74 -1.94 0.00 3.41 -1.26 -4.76 113.62 112.07 1j6y n SER 25 Ca 0.52 0.98 -0.21 0.00 -0.26 0.00 0.00 58.87 59.90 1j6y n SER 25 Cb 0.29 -1.30 0.15 0.00 -0.26 0.00 0.00 64.21 63.09 1j6y n SER 25 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1j6y n TRP 26 N -0.70 2.53 0.00 7.33 -0.00 -1.26 -4.83 117.44 120.51 1j6y n TRP 26 Ca 0.10 -2.08 0.00 0.00 -0.00 0.00 0.00 57.50 55.52 1j6y n TRP 26 Cb 0.40 -0.89 0.00 0.00 -0.00 0.00 0.00 31.31 30.82 1j6y n TRP 26 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1j6y n LYS 27 N -1.06 0.00 0.05 5.87 5.02 -1.26 -4.25 118.16 122.53 1j6y n LYS 27 Ca 0.52 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.74 1j6y n LYS 27 Cb 1.22 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 36.19 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1j6y h ASP 28 N 0.00 -0.66 1.33 4.39 3.32 -2.02 -2.40 116.42 120.38 1j6y h ASP 28 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1j6y h ASP 28 Cb 0.00 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1j6y h ASP 28 CO 0.00 -0.24 0.00 1.55 -1.72 0.00 0.00 179.24 178.83 1j6y h PRO 29 N -0.32 0.00 0.00 3.56 0.13 -1.98 -3.46 132.00 129.92 1j6y h PRO 29 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1j6y h PRO 29 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1j6y h PRO 29 CO -0.11 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 175.75 1j6y n GLU 30 N -2.97 -0.20 -1.23 0.86 2.13 -0.90 -3.21 120.64 115.10 1j6y n GLU 30 Ca 0.02 0.05 -0.10 0.00 0.66 0.00 0.00 57.16 57.79 1j6y n GLU 30 Cb 0.38 -3.45 -0.04 0.00 0.27 0.00 0.00 31.44 28.59 1j6y n GLU 30 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j6y n GLY 31 N -1.84 0.95 7.00 8.31 0.00 -1.26 -4.68 105.19 113.67 1j6y n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j6y n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j6y n LYS 32 N -0.79 0.00 -3.69 1.61 3.00 -1.20 -4.64 118.16 112.45 1j6y n LYS 32 Ca -0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.96 1j6y n LYS 32 Cb 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.39 1j6y n LYS 32 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1j6y s ILE 33 N 0.00 0.21 -0.30 3.15 -0.00 -1.26 -5.00 121.20 118.00 1j6y s ILE 33 Ca 0.00 -0.20 -0.08 0.00 -0.00 0.00 0.00 60.65 60.37 1j6y s ILE 33 Cb 0.00 -0.69 0.18 0.00 -0.00 0.00 0.00 42.46 41.95 1j6y s ILE 33 CO 0.00 -0.12 0.91 -0.51 -0.00 0.00 0.00 174.94 175.22 1j6y s ILE 34 N 2.01 -0.51 0.74 8.37 1.10 -1.26 -5.16 121.20 126.49 1j6y s ILE 34 Ca 0.02 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.06 1j6y s ILE 34 Cb -0.15 -0.77 0.15 0.00 0.15 0.00 0.00 42.46 41.83 1j6y s ILE 34 CO -0.07 0.00 0.33 0.00 -2.11 0.00 0.00 174.94 173.09 1j6y n LEU 35 N 5.35 0.00 0.02 8.50 -0.00 -1.26 -4.95 117.00 124.66 1j6y n LEU 35 Ca 0.01 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 1j6y n LEU 35 Cb 0.55 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1j6y n LEU 35 CO -0.10 -2.13 0.00 0.35 -0.00 0.00 0.00 177.39 175.51 1j6y n THR 36 N -3.96 0.00 -4.39 1.47 -2.24 -1.26 -5.13 114.28 98.77 1j6y n THR 36 Ca 0.05 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 1j6y n THR 36 Cb 0.23 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 1j6y n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1j6y s THR 37 N -2.00 2.18 0.24 4.28 2.01 -1.26 -5.05 115.64 116.04 1j6y s THR 37 Ca 0.00 -1.88 0.01 0.00 0.31 0.00 0.00 61.69 60.13 1j6y s THR 37 Cb 0.00 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1j6y s THR 37 CO 0.00 -0.02 0.20 0.42 -0.69 0.00 0.00 174.62 174.53 1j6y s THR 38 N -2.65 0.00 0.19 -0.82 -4.23 -1.26 -3.70 115.64 103.17 1j6y s THR 38 Ca 0.37 -1.95 -0.24 0.00 -1.18 0.00 0.00 61.69 58.69 1j6y s THR 38 Cb 0.07 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1j6y s THR 38 CO 0.20 0.00 1.55 -0.09 -0.54 0.00 0.00 174.62 175.74 1j6y h ARG 39 N 2.45 -0.07 0.54 3.99 2.43 -1.96 2.15 114.38 123.91 1j6y h ARG 39 Ca -0.32 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1j6y h ARG 39 Cb 1.24 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1j6y h ARG 39 CO 0.47 -0.05 -0.26 1.49 -1.51 0.00 0.00 179.97 180.11 1j6y h GLU 40 N -0.08 -0.70 -0.66 0.20 4.57 -2.00 -2.77 114.58 113.14 1j6y h GLU 40 Ca 0.24 0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.64 1j6y h GLU 40 Cb 0.53 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1j6y h GLU 40 CO -0.88 -0.39 0.46 0.00 -1.18 0.00 0.00 179.01 177.02 1j6y h ALA 41 N -0.68 2.50 0.09 2.92 0.00 -1.68 -1.40 119.26 121.01 1j6y h ALA 41 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j6y h ALA 41 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j6y h ALA 41 CO 0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 1j6y h ALA 42 N 1.68 -1.02 -0.84 0.00 0.00 0.38 0.66 119.26 120.11 1j6y h ALA 42 Ca 0.32 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.43 1j6y h ALA 42 Cb 1.13 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1j6y h ALA 42 CO -0.03 -1.01 0.59 0.28 0.00 0.00 0.00 179.25 179.07 1j6y h VAL 43 N -0.12 0.62 -0.14 0.00 2.07 -1.32 0.19 116.25 117.55 1j6y h VAL 43 Ca -0.01 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1j6y h VAL 43 Cb 0.09 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1j6y h VAL 43 CO 0.02 0.02 -0.10 -0.08 0.02 0.00 0.00 177.57 177.46 1j6y h GLU 44 N 0.13 0.31 -0.53 1.57 4.57 -0.88 0.21 114.58 119.96 1j6y h GLU 44 Ca 0.41 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1j6y h GLU 44 Cb 1.43 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1j6y h GLU 44 CO -0.06 0.67 0.11 0.37 -1.18 0.00 0.00 179.01 178.92 1j6y h GLN 45 N -0.05 0.83 -0.00 1.92 -0.00 0.27 -2.00 115.11 116.08 1j6y h GLN 45 Ca 0.03 -0.18 -0.13 0.00 -0.00 0.00 0.00 58.65 58.37 1j6y h GLN 45 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.94 1j6y h GLN 45 CO 0.03 0.76 -0.63 1.25 0.00 0.00 0.00 178.83 180.23 1j6y h LEU 46 N 0.79 0.02 0.41 -2.39 6.46 -0.62 -2.92 115.31 117.07 1j6y h LEU 46 Ca 0.17 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1j6y h LEU 46 Cb 0.32 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1j6y h LEU 46 CO 0.00 0.65 -0.20 0.50 -0.62 0.00 0.00 178.44 178.77 1j6y h LYS 47 N 0.01 -0.53 -0.31 1.25 3.64 0.17 -2.25 116.57 118.54 1j6y h LYS 47 Ca -0.01 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1j6y h LYS 47 Cb 1.12 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1j6y h LYS 47 CO 0.08 -0.30 0.22 0.66 -2.27 0.00 0.00 179.45 177.84 1j6y h SER 48 N -0.66 0.07 0.43 4.20 4.64 -1.49 -2.51 113.55 118.23 1j6y h SER 48 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1j6y h SER 48 Cb 0.48 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1j6y h SER 48 CO 0.09 0.05 -0.42 0.40 -0.87 0.00 0.00 176.83 176.08 1j6y h ILE 49 N 0.08 0.00 -0.95 0.95 1.08 -1.20 1.81 117.51 119.27 1j6y h ILE 49 Ca 0.14 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.91 1j6y h ILE 49 Cb 0.47 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.06 1j6y h ILE 49 CO -0.01 0.00 0.37 -0.09 -0.69 0.00 0.00 178.15 177.72 1j6y h ARG 50 N -0.85 0.18 0.63 2.37 1.12 -1.28 1.73 114.38 118.28 1j6y h ARG 50 Ca -0.05 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 1j6y h ARG 50 Cb 0.73 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1j6y h ARG 50 CO -0.05 0.12 -0.30 1.49 -3.11 0.00 0.00 179.97 178.12 1j6y h GLU 51 N 0.19 -0.82 -0.61 0.20 4.57 -1.04 0.36 114.58 117.42 1j6y h GLU 51 Ca 0.67 0.06 0.12 0.00 -1.18 0.00 0.00 59.36 59.03 1j6y h GLU 51 Cb 1.50 0.19 -0.12 0.00 -0.16 0.00 0.00 28.75 30.16 1j6y h GLU 51 CO -0.70 -0.54 -0.15 -0.44 -1.18 0.00 0.00 179.01 176.01 1j6y h ASP 52 N -1.22 -0.56 -0.45 1.04 3.32 0.57 2.81 116.42 121.93 1j6y h ASP 52 Ca -0.09 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.21 1j6y h ASP 52 Cb 0.66 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1j6y h ASP 52 CO 0.14 -0.20 0.30 0.40 -1.72 0.00 0.00 179.24 178.17 1j6y h ILE 53 N 0.00 0.96 0.06 0.35 1.08 0.25 -2.94 117.51 117.27 1j6y h ILE 53 Ca 0.30 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 1j6y h ILE 53 Cb 0.45 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1j6y h ILE 53 CO -0.63 0.07 -0.03 0.58 -0.69 0.00 0.00 178.15 177.45 1j6y h VAL 54 N 0.36 0.00 -2.80 1.67 2.07 0.83 -3.45 116.25 114.93 1j6y h VAL 54 Ca 0.20 -0.12 -0.64 0.00 0.82 0.00 0.00 66.70 66.95 1j6y h VAL 54 Cb 0.32 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1j6y h VAL 54 CO -0.05 0.00 -0.39 -0.44 0.02 0.00 0.00 177.57 176.72 1j6y s SER 55 N -3.11 6.53 0.00 0.57 0.01 0.63 -4.91 113.70 113.41 1j6y s SER 55 Ca -0.01 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1j6y s SER 55 Cb 0.00 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1j6y s SER 55 CO 0.04 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1j6y n GLY 56 N 1.75 1.03 2.47 3.44 0.00 -1.25 -4.09 105.19 108.54 1j6y n GLY 56 Ca -0.16 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 2.93 1.01 0.14 1.61 4.81 -1.26 -4.31 118.16 123.09 1j6y n LYS 57 Ca 0.00 -0.67 0.13 0.00 -0.87 0.00 0.00 58.31 56.89 1j6y n LYS 57 Cb 0.00 -1.93 0.43 0.00 0.02 0.00 0.00 35.03 33.55 1j6y n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j6y h ALA 58 N 5.63 1.00 -0.40 3.14 0.00 -1.86 -3.49 119.26 123.28 1j6y h ALA 58 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j6y h ALA 58 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1j6y h ALA 58 CO 0.74 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 178.28 1j6y n ASN 59 N -2.42 0.00 0.00 0.00 2.85 -1.26 -4.70 115.26 109.73 1j6y n ASN 59 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1j6y n ASN 59 Cb 0.37 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.39 1j6y n ASN 59 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1j6y n PHE 60 N 12.80 0.00 0.00 1.20 -0.00 -1.26 -4.86 117.46 125.33 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 -0.37 0.00 -0.35 -4.13 1.02 -1.26 -1.67 120.64 113.88 1j6y n GLU 61 Ca 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 57.16 57.45 1j6y n GLU 61 Cb 0.00 -0.57 0.57 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.10 -0.98 3.49 4.81 -1.93 2.00 114.58 122.07 1j6y h GLU 62 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1j6y h GLU 62 Cb 0.00 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.27 1j6y h GLU 62 CO 0.00 0.07 0.62 0.28 -0.73 0.00 0.00 179.01 179.25 1j6y h VAL 63 N 0.11 0.91 0.27 0.32 2.07 -1.84 -1.96 116.25 116.12 1j6y h VAL 63 Ca 0.81 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 1j6y h VAL 63 Cb 2.14 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1j6y h VAL 63 CO -0.67 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 176.97 1j6y h ALA 64 N 1.55 -0.36 -1.62 1.67 0.00 0.41 0.11 119.26 121.03 1j6y h ALA 64 Ca 0.49 -0.16 0.48 0.00 0.00 0.00 0.00 54.91 55.71 1j6y h ALA 64 Cb 0.53 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1j6y h ALA 64 CO -0.25 -0.57 1.15 1.15 0.00 0.00 0.00 179.25 180.73 1j6y h THR 65 N -0.62 0.16 0.00 0.00 2.02 -1.04 -0.95 112.91 112.48 1j6y h THR 65 Ca -0.04 -0.01 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 1j6y h THR 65 Cb 0.44 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1j6y h THR 65 CO 0.06 0.00 -1.08 -1.14 0.37 0.00 0.00 175.52 173.73 1j6y n ARG 66 N -4.12 0.52 -2.45 6.66 0.63 -1.00 -4.49 116.66 112.41 1j6y n ARG 66 Ca 0.37 0.49 -0.41 0.00 -0.92 0.00 0.00 57.85 57.38 1j6y n ARG 66 Cb 1.67 -1.67 0.01 0.00 0.45 0.00 0.00 32.46 32.92 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 -4.49 5.41 -4.41 5.15 3.14 0.36 -4.95 118.33 118.53 1j6y n VAL 67 Ca -0.23 -5.19 -0.21 0.00 -2.96 0.00 0.00 64.34 55.75 1j6y n VAL 67 Cb 0.53 -1.95 -0.10 0.00 -1.06 0.00 0.00 33.84 31.26 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 -0.53 2.05 -0.91 6.55 1.04 -0.46 0.81 113.70 122.25 1j6y s SER 68 Ca 0.42 -1.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.16 1j6y s SER 68 Cb 0.15 0.22 -0.12 0.00 0.10 0.00 0.00 66.02 66.36 1j6y s SER 68 CO -0.05 -0.77 1.99 -0.67 0.98 0.00 0.00 173.24 174.71 1j6y n ASP 69 N -0.84 2.79 0.00 7.02 -0.08 -1.26 -4.55 116.55 119.62 1j6y n ASP 69 Ca -0.02 -2.71 0.00 0.00 -1.51 0.00 0.00 54.79 50.55 1j6y n ASP 69 Cb 0.66 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.90 1j6y n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j6y h SER 71 N 0.00 -0.46 -1.03 0.00 0.87 -1.94 2.28 113.55 113.26 1j6y h SER 71 Ca 0.00 0.19 0.27 0.00 -1.23 0.00 0.00 61.79 61.02 1j6y h SER 71 Cb 0.00 0.37 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 1j6y h SER 71 CO 0.00 -0.19 0.69 -1.28 -0.53 0.00 0.00 176.83 175.52 1j6y h SER 72 N 0.06 0.31 -0.59 6.23 0.87 -0.63 0.74 113.55 120.53 1j6y h SER 72 Ca 0.36 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 61.08 1j6y h SER 72 Cb 0.59 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.46 1j6y h SER 72 CO -0.66 0.07 0.09 0.00 -0.53 0.00 0.00 176.83 175.81 1j6y h ALA 73 N 1.57 0.67 0.00 6.23 0.00 0.37 2.68 119.26 130.77 1j6y h ALA 73 Ca 0.55 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.60 1j6y h ALA 73 Cb 1.62 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1j6y h ALA 73 CO -0.19 -0.33 -0.01 -0.22 0.00 0.00 0.00 179.25 178.50 1j6y h LYS 74 N 0.22 0.00 -0.68 0.00 3.64 0.57 -1.36 116.57 118.96 1j6y h LYS 74 Ca 0.31 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 59.20 1j6y h LYS 74 Cb 0.47 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.88 1j6y h LYS 74 CO -0.43 0.01 -0.85 0.54 -2.27 0.00 0.00 179.45 176.45 1j6y n ARG 75 N -3.53 3.26 0.22 1.90 1.74 0.69 -4.81 116.66 116.14 1j6y n ARG 75 Ca -0.03 -4.03 0.14 0.00 -0.77 0.00 0.00 57.85 53.15 1j6y n ARG 75 Cb 0.09 -2.15 0.73 0.00 -1.02 0.00 0.00 32.46 30.11 1j6y n ARG 75 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1j6y h GLY 76 N 2.20 0.00 0.00 -0.13 0.00 0.48 -3.32 103.07 102.30 1j6y h GLY 76 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1j6y h GLY 76 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1j6y n GLY 77 N -1.24 -1.90 2.62 4.60 0.00 -1.26 -4.58 105.19 103.44 1j6y n GLY 77 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1j6y n GLY 77 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j6y n ASP 78 N 0.00 -0.95 -0.05 1.61 5.68 -1.25 -3.33 116.55 118.26 1j6y n ASP 78 Ca 0.00 -2.55 -0.01 0.00 -0.50 0.00 0.00 54.79 51.73 1j6y n ASP 78 Cb 0.00 1.84 -0.00 0.00 -1.14 0.00 0.00 41.12 41.82 1j6y n ASP 78 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1j6y h LEU 79 N 0.00 0.00 0.00 -2.12 4.07 -0.18 -3.47 115.31 113.61 1j6y h LEU 79 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1j6y h LEU 79 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1j6y h LEU 79 CO 0.29 0.47 0.00 0.61 -1.08 0.00 0.00 178.44 178.72 1j6y n GLY 80 N 1.77 1.72 3.34 0.83 0.00 -1.05 -4.95 105.19 106.85 1j6y n GLY 80 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.54 0.00 1.61 1.04 -1.26 -2.75 113.70 107.80 1j6y s SER 81 Ca 0.00 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1j6y s SER 81 Cb 0.00 0.89 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1j6y s SER 81 CO 0.00 -0.18 0.00 2.22 0.98 0.00 0.00 173.24 176.26 1j6y n PHE 82 N 3.72 0.00 0.00 5.02 -1.74 -1.13 -4.87 117.46 118.46 1j6y n PHE 82 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 1j6y n PHE 82 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 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 2.20 0.23 4.97 0.00 -1.26 0.29 105.19 111.62 1j6y n GLY 83 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1j6y n GLY 83 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1j6y h ARG 84 N 0.00 0.00 0.00 1.61 -0.00 -1.95 -3.45 114.38 110.59 1j6y h ARG 84 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1j6y h ARG 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1j6y h ARG 84 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.97 180.61 1j6y n GLY 85 N -0.49 7.15 7.00 0.04 0.00 -1.26 -5.00 105.19 112.63 1j6y n GLY 85 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.00 -0.66 1.61 1.13 -1.26 -4.60 117.38 113.60 1j6y n GLN 86 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1j6y n GLN 86 Cb 0.00 0.00 0.10 0.00 0.11 0.00 0.00 30.24 30.45 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 11.57 -1.36 0.00 -1.09 2.81 -1.26 -5.04 117.12 122.75 1j6y n MET 87 Ca 0.00 -0.40 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 1j6y n MET 87 Cb 0.00 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 -0.33 0.00 0.09 0.03 6.02 -1.26 -4.88 117.38 117.05 1j6y n GLN 88 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 1j6y n GLN 88 Cb 0.36 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.48 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 0.21 0.02 -1.09 3.64 -1.96 -3.18 116.57 114.21 1j6y h LYS 89 Ca 0.00 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1j6y h LYS 89 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1j6y h LYS 89 CO 0.00 1.16 -0.01 -1.00 -2.27 0.00 0.00 179.45 177.33 1j6y h PRO 90 N 0.06 -0.02 0.37 1.90 0.13 -1.95 -3.05 132.00 129.43 1j6y h PRO 90 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1j6y h PRO 90 Cb 1.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 33.05 1j6y h PRO 90 CO 0.18 -0.01 -0.39 0.35 -0.23 0.00 0.00 178.00 177.90 1j6y h PHE 91 N -0.04 -1.07 0.00 1.56 3.04 -1.92 -2.64 116.94 115.87 1j6y h PHE 91 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1j6y h PHE 91 Cb 0.02 0.42 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1j6y h PHE 91 CO 0.10 -0.54 0.00 -1.91 -2.02 0.00 0.00 178.31 173.94 1j6y n GLU 92 N -5.49 0.00 0.27 1.11 2.13 -1.20 0.25 120.64 117.71 1j6y n GLU 92 Ca -0.10 0.96 0.13 0.00 0.66 0.00 0.00 57.16 58.82 1j6y n GLU 92 Cb 0.39 -1.45 0.61 0.00 0.27 0.00 0.00 31.44 31.26 1j6y n GLU 92 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1j6y h GLU 93 N 0.00 0.00 0.34 5.31 4.11 -1.53 0.43 114.58 123.24 1j6y h GLU 93 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1j6y h GLU 93 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1j6y h GLU 93 CO 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 179.01 178.92 1j6y h ALA 94 N 1.03 -0.45 0.00 1.06 0.00 0.36 0.46 119.26 121.72 1j6y h ALA 94 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1j6y h ALA 94 Cb 1.13 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1j6y h ALA 94 CO -0.00 -0.47 -0.49 1.15 0.00 0.00 0.00 179.25 179.44 1j6y h THR 95 N -1.03 1.29 0.00 0.00 2.02 0.13 0.73 112.91 116.05 1j6y h THR 95 Ca -0.05 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.38 1j6y h THR 95 Cb 0.47 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1j6y h THR 95 CO 0.08 0.48 -0.09 1.88 0.37 0.00 0.00 175.52 178.24 1j6y h TYR 96 N 0.00 0.00 0.00 3.16 0.05 -0.25 -3.32 116.97 116.62 1j6y h TYR 96 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 1j6y h TYR 96 Cb 0.91 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 1j6y h TYR 96 CO 0.00 0.09 -0.81 0.00 -1.05 0.00 0.00 178.16 176.39 1j6y n ALA 97 N -2.14 0.60 -2.71 3.88 0.00 0.15 -4.90 120.51 115.39 1j6y n ALA 97 Ca 0.01 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 1j6y n ALA 97 Cb 0.39 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 1j6y n ALA 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1j6y s LEU 98 N -8.08 4.30 -0.05 0.00 0.20 0.17 -4.99 118.68 110.23 1j6y s LEU 98 Ca -0.20 0.56 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 1j6y s LEU 98 Cb 0.04 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 1j6y s LEU 98 CO 0.33 0.18 -0.15 0.29 -0.29 0.00 0.00 176.35 176.71 1j6y n LYS 99 N 3.10 0.22 -3.16 1.98 5.02 -1.26 -4.51 118.16 119.56 1j6y n LYS 99 Ca -0.13 0.09 0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1j6y n LYS 99 Cb 0.52 -0.84 -0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1j6y n LYS 99 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j6y s VAL 100 N -2.11 -0.98 0.00 -0.18 1.01 -1.26 -3.83 120.40 113.05 1j6y s VAL 100 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1j6y s VAL 100 Cb 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1j6y s VAL 100 CO 0.18 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1j6y n GLY 101 N 5.15 0.00 0.00 4.51 0.00 -1.18 -4.83 105.19 108.83 1j6y n GLY 101 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.69 1.61 8.00 -1.26 -5.02 116.55 117.19 1j6y n ASP 102 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1j6y n ASP 102 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -4.49 -2.30 0.53 5.41 -1.26 -4.43 119.36 112.81 1j6y n ILE 103 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1j6y n ILE 103 Cb 0.00 -4.39 0.00 0.00 -0.71 0.00 0.00 39.64 34.54 1j6y n ILE 103 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1j6y n SER 104 N -2.51 -5.17 0.00 4.38 2.88 -1.25 -4.67 113.62 107.28 1j6y n SER 104 Ca -0.18 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1j6y n SER 104 Cb 0.61 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1j6y n SER 104 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j6y n ASP 105 N 2.17 0.00 -3.77 -3.46 8.00 -1.26 -4.62 116.55 113.60 1j6y n ASP 105 Ca 0.00 0.46 -0.17 0.00 0.71 0.00 0.00 54.79 55.79 1j6y n ASP 105 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.94 0.04 -0.60 0.53 -0.00 -1.26 -4.64 121.20 114.33 1j6y s ILE 106 Ca 0.00 0.20 0.04 0.00 -0.00 0.00 0.00 60.65 60.88 1j6y s ILE 106 Cb 0.00 -0.18 0.15 0.00 -0.00 0.00 0.00 42.46 42.43 1j6y s ILE 106 CO 0.00 0.13 0.36 -0.69 -0.00 0.00 0.00 174.94 174.74 1j6y s VAL 107 N 1.25 2.84 -0.50 8.37 1.01 -1.01 -4.98 120.40 127.37 1j6y s VAL 107 Ca -0.07 -3.60 -0.26 0.00 0.00 0.00 0.00 61.98 58.05 1j6y s VAL 107 Cb -0.13 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1j6y s VAL 107 CO -0.03 -0.88 1.01 1.51 0.00 0.00 0.00 175.10 176.72 1j6y s ASP 108 N -0.56 6.49 0.00 3.32 -4.77 -1.26 0.13 116.67 120.02 1j6y s ASP 108 Ca 0.20 0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.55 1j6y s ASP 108 Cb -0.19 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1j6y s ASP 108 CO -0.06 -1.18 0.00 0.35 0.70 0.00 0.00 175.17 174.98 1j6y n THR 109 N 6.51 0.00 -1.06 2.11 -2.24 0.38 -4.93 114.28 115.04 1j6y n THR 109 Ca 0.07 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 1j6y n THR 109 Cb 0.48 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1j6y n THR 109 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1j6y n ASP 110 N 0.00 -3.77 0.00 3.42 2.03 -1.26 -1.60 116.55 115.37 1j6y n ASP 110 Ca 0.00 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1j6y n ASP 110 Cb 0.00 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1j6y n ASP 110 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1j6y n SER 111 N 1.53 0.00 0.00 1.67 2.88 -1.26 -4.60 113.62 113.83 1j6y n SER 111 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1j6y n SER 111 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1j6y n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j6y n GLY 112 N 0.00 -0.47 3.32 0.46 0.00 -0.63 -4.54 105.19 103.33 1j6y n GLY 112 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.02 0.53 1.61 -7.23 -1.26 0.14 120.40 117.21 1j6y s VAL 113 Ca 0.00 -0.65 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1j6y s VAL 113 Cb 0.00 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.66 1j6y s VAL 113 CO 0.00 0.50 0.32 -1.00 -0.31 0.00 0.00 175.10 174.61 1j6y s HIS 114 N 0.77 1.72 -0.18 2.82 4.02 0.34 -2.45 115.29 122.33 1j6y s HIS 114 Ca -0.05 -0.85 -0.05 0.00 1.02 0.00 0.00 55.06 55.14 1j6y s HIS 114 Cb -0.15 -1.86 0.07 0.00 -1.02 0.00 0.00 32.58 29.62 1j6y s HIS 114 CO 0.01 -0.31 0.12 0.96 1.02 0.00 0.00 174.74 176.54 1j6y s ILE 115 N -2.78 -0.15 0.64 0.60 -4.36 -0.57 -2.41 121.20 112.17 1j6y s ILE 115 Ca 0.29 -0.14 -0.09 0.00 -0.26 0.00 0.00 60.65 60.44 1j6y s ILE 115 Cb -0.01 -0.59 -0.00 0.00 1.25 0.00 0.00 42.46 43.11 1j6y s ILE 115 CO 0.18 -0.26 1.00 -0.63 0.24 0.00 0.00 174.94 175.47 1j6y s ILE 116 N 2.19 3.86 -0.30 8.37 1.09 -1.26 -2.08 121.20 133.07 1j6y s ILE 116 Ca 0.03 0.38 -0.18 0.00 -1.10 0.00 0.00 60.65 59.78 1j6y s ILE 116 Cb -0.16 -3.57 0.19 0.00 -1.06 0.00 0.00 42.46 37.86 1j6y s ILE 116 CO -0.10 -0.68 1.21 -0.75 -0.10 0.00 0.00 174.94 174.52 1j6y s LYS 117 N -5.17 0.10 0.00 2.79 2.20 -1.11 -3.86 119.74 114.69 1j6y s LYS 117 Ca 0.55 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1j6y s LYS 117 Cb -0.11 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1j6y s LYS 117 CO 0.50 -0.03 0.00 -2.13 -0.36 0.00 0.00 175.35 173.32 1j6y n ARG 118 N 4.22 0.00 -0.00 4.03 0.63 -1.25 -2.25 116.66 122.04 1j6y n ARG 118 Ca -0.10 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.66 1j6y n ARG 118 Cb 0.55 -0.05 -0.14 0.00 0.45 0.00 0.00 32.46 33.28 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 -0.48 1.72 -0.36 5.15 -1.04 -1.26 -4.86 114.28 113.15 1j6y n THR 119 Ca 0.00 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1j6y n THR 119 Cb 0.00 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 1j6y n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43