#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 0.00 -2.42 -1.40 0.00 -1.26 -5.08 117.12 106.96 1j6y n MET 2 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 1j6y n MET 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1j6y n MET 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1j6y s ALA 3 N 0.00 2.61 0.00 -5.12 0.00 -1.26 -4.89 121.76 113.11 1j6y s ALA 3 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 49.64 1j6y s ALA 3 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1j6y s ALA 3 CO 0.00 -3.91 0.00 0.45 0.00 0.00 0.00 175.76 172.30 1j6y n SER 4 N 10.23 -1.41 -2.61 0.00 2.88 -1.26 -4.85 113.62 116.60 1j6y n SER 4 Ca 0.40 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.88 1j6y n SER 4 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1j6y n SER 4 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j6y n ARG 5 N 0.00 1.49 0.00 -1.46 1.74 -1.26 -5.05 116.66 112.12 1j6y n ARG 5 Ca 0.00 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1j6y n ARG 5 Cb 0.00 0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1j6y n ARG 5 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j6y n ASP 6 N -1.58 0.00 -4.46 0.55 2.03 -1.26 -5.14 116.55 106.69 1j6y n ASP 6 Ca -0.02 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.00 1j6y n ASP 6 Cb 0.14 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.77 1j6y n ASP 6 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1j6y s GLN 7 N -0.90 -0.65 -0.31 -0.67 0.74 -1.26 -4.88 119.66 111.73 1j6y s GLN 7 Ca 0.00 0.58 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 1j6y s GLN 7 Cb 0.00 -1.61 0.11 0.00 1.10 0.00 0.00 33.01 32.61 1j6y s GLN 7 CO 0.00 -3.47 0.14 0.54 -0.55 0.00 0.00 175.29 171.95 1j6y s VAL 8 N -2.68 0.25 0.70 1.34 0.11 0.60 -4.85 120.40 115.87 1j6y s VAL 8 Ca 0.67 -1.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.43 1j6y s VAL 8 Cb -0.21 -1.21 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1j6y s VAL 8 CO 0.61 -0.77 1.10 -0.54 -3.33 0.00 0.00 175.10 172.17 1j6y s LYS 9 N 1.73 2.63 0.00 1.54 1.02 -1.25 -2.89 119.74 122.52 1j6y s LYS 9 Ca 0.11 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.39 1j6y s LYS 9 Cb -0.18 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1j6y s LYS 9 CO -0.26 -1.37 0.00 0.00 -0.92 0.00 0.00 175.35 172.80 1j6y n ALA 10 N -2.82 0.00 -2.68 5.17 0.00 -1.08 -4.89 120.51 114.21 1j6y n ALA 10 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 1j6y n ALA 10 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 3.69 0.00 0.00 1.04 0.85 0.06 113.70 119.35 1j6y s SER 11 Ca 0.00 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.74 1j6y s SER 11 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1j6y s SER 11 CO 0.00 -0.92 0.00 1.57 0.98 0.00 0.00 173.24 174.87 1j6y n HIS 12 N -1.16 0.00 -4.26 5.02 -0.00 -1.21 -2.81 115.22 110.81 1j6y n HIS 12 Ca -0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.41 1j6y n HIS 12 Cb 0.66 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.56 1j6y n HIS 12 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1j6y s ILE 13 N -2.00 0.06 -0.02 3.57 1.01 -1.11 -4.76 121.20 117.95 1j6y s ILE 13 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1j6y s ILE 13 Cb 0.00 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1j6y s ILE 13 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 174.94 174.72 1j6y s LEU 14 N -3.28 1.26 0.03 2.97 2.96 0.38 -2.29 118.68 120.71 1j6y s LEU 14 Ca 0.39 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1j6y s LEU 14 Cb 0.05 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 1j6y s LEU 14 CO 0.19 -0.09 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.48 1j6y s ILE 15 N 0.89 3.94 0.68 6.68 1.01 -0.29 -3.25 121.20 130.86 1j6y s ILE 15 Ca -0.09 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1j6y s ILE 15 Cb -0.12 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 1j6y s ILE 15 CO -0.02 0.29 1.06 -1.59 0.00 0.00 0.00 174.94 174.69 1j6y s LYS 16 N -1.77 3.11 0.00 2.79 -2.85 -1.26 -3.67 119.74 116.08 1j6y s LYS 16 Ca 0.21 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 1j6y s LYS 16 Cb -0.11 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1j6y s LYS 16 CO 0.12 -0.91 0.00 -2.39 0.10 0.00 0.00 175.35 172.27 1j6y n HIS 17 N -2.97 0.00 -3.33 1.78 1.44 -1.26 -4.74 115.22 106.15 1j6y n HIS 17 Ca 0.07 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.33 1j6y n HIS 17 Cb 0.55 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.66 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 3.59 0.00 -1.40 1.13 -1.13 -4.81 117.38 114.76 1j6y n GLN 18 Ca 0.00 -4.47 0.00 0.00 -1.94 0.00 0.00 57.00 50.59 1j6y n GLN 18 Cb 0.00 -2.54 0.00 0.00 0.11 0.00 0.00 30.24 27.81 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 2.56 0.47 0.05 1.08 0.00 -1.26 -4.66 105.19 103.43 1j6y n GLY 19 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1j6y n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j6y n SER 20 N 0.00 3.23 -3.53 1.61 3.41 -1.26 -5.09 113.62 111.99 1j6y n SER 20 Ca 0.00 -0.05 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 1j6y n SER 20 Cb 0.00 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1j6y n SER 20 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1j6y s ARG 21 N -2.20 0.74 0.00 4.33 3.00 -1.26 -5.17 118.95 118.40 1j6y s ARG 21 Ca -0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 1j6y s ARG 21 Cb 0.03 0.34 0.00 0.00 0.00 0.00 0.00 34.95 35.33 1j6y s ARG 21 CO 0.23 -0.29 0.00 0.54 0.00 0.00 0.00 175.30 175.78 1j6y n ARG 22 N 0.20 0.27 0.00 5.12 1.74 -1.26 -4.96 116.66 117.77 1j6y n ARG 22 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1j6y n ARG 22 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 1j6y n ARG 22 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1j6y n LYS 23 N -0.52 3.74 0.00 5.56 2.85 -1.26 -5.11 118.16 123.43 1j6y n LYS 23 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1j6y n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1j6y n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1j6y n ALA 24 N -3.00 0.00 -4.03 0.58 0.00 -1.26 -5.10 120.51 107.70 1j6y n ALA 24 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1j6y n ALA 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1j6y n ALA 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1j6y n SER 25 N 0.00 2.03 0.00 0.00 7.64 -1.26 -5.06 113.62 116.97 1j6y n SER 25 Ca 0.00 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1j6y n SER 25 Cb 0.00 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1j6y n SER 25 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1j6y n TRP 26 N -0.12 -0.07 0.00 1.43 -0.00 -1.26 -5.05 117.44 112.38 1j6y n TRP 26 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1j6y n TRP 26 Cb 0.06 0.47 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 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 -2.56 0.00 -2.96 5.87 2.85 -1.26 -5.14 118.16 114.95 1j6y n LYS 27 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1j6y n LYS 27 Cb 0.03 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.43 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j6y s ASP 28 N -0.28 5.73 -0.60 -5.58 1.01 -1.26 -5.00 116.67 110.70 1j6y s ASP 28 Ca 0.00 0.17 -0.27 0.00 0.71 0.00 0.00 52.55 53.16 1j6y s ASP 28 Cb 0.00 -1.36 -0.01 0.00 1.01 0.00 0.00 42.92 42.57 1j6y s ASP 28 CO 0.00 -0.76 1.67 -2.16 0.21 0.00 0.00 175.17 174.13 1j6y s PRO 29 N -4.55 2.92 0.74 8.23 0.04 -1.26 -4.99 135.00 136.13 1j6y s PRO 29 Ca 0.50 0.51 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 1j6y s PRO 29 Cb -0.10 -4.28 0.15 0.00 0.04 0.00 0.00 34.50 30.31 1j6y s PRO 29 CO 0.37 -2.39 0.34 -0.85 0.04 0.00 0.00 177.00 174.50 1j6y n GLU 30 N 9.04 -1.27 -1.48 4.56 -0.00 -1.26 -5.04 120.64 125.19 1j6y n GLU 30 Ca 0.16 -0.57 0.00 0.00 -0.00 0.00 0.00 57.16 56.76 1j6y n GLU 30 Cb 0.50 -1.07 0.00 0.00 -0.00 0.00 0.00 31.44 30.87 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 -1.25 5.01 0.00 -1.84 0.00 -1.26 -5.12 105.19 100.73 1j6y n GLY 31 Ca 0.05 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 0.00 -3.78 1.61 4.01 -1.26 -4.98 118.16 113.77 1j6y n LYS 32 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 1j6y n LYS 32 Cb 0.00 -0.20 -0.14 0.00 -0.51 0.00 0.00 35.03 34.19 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 0.00 -0.03 -0.15 -0.18 1.09 -1.26 -5.09 121.20 115.58 1j6y s ILE 33 Ca 0.00 0.10 -0.21 0.00 -1.10 0.00 0.00 60.65 59.44 1j6y s ILE 33 Cb 0.00 -0.24 -0.03 0.00 -1.06 0.00 0.00 42.46 41.13 1j6y s ILE 33 CO 0.00 0.04 0.64 -0.63 -0.10 0.00 0.00 174.94 174.89 1j6y s ILE 34 N 0.72 5.04 -0.80 2.92 1.01 -1.26 -5.00 121.20 123.84 1j6y s ILE 34 Ca -0.05 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.87 1j6y s ILE 34 Cb -0.07 -3.97 0.25 0.00 0.01 0.00 0.00 42.46 38.69 1j6y s ILE 34 CO -0.04 0.17 0.91 0.18 0.00 0.00 0.00 174.94 176.16 1j6y n LEU 35 N 4.56 4.43 0.02 2.97 7.99 -1.26 -4.76 117.00 130.95 1j6y n LEU 35 Ca -0.02 -5.32 0.00 0.00 -0.01 0.00 0.00 56.01 50.66 1j6y n LEU 35 Cb 0.50 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.92 1j6y n LEU 35 CO 0.45 1.86 -0.29 0.35 -1.51 0.00 0.00 177.39 178.25 1j6y n THR 36 N 1.29 0.17 -3.73 -5.08 -2.24 -1.26 -5.04 114.28 98.39 1j6y n THR 36 Ca 0.27 0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.75 1j6y n THR 36 Cb 0.38 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 67.30 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 5.41 0.00 4.28 2.01 -1.26 -4.99 115.64 119.09 1j6y s THR 37 Ca 0.00 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1j6y s THR 37 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1j6y s THR 37 CO 0.00 0.46 0.00 0.35 -0.69 0.00 0.00 174.62 174.74 1j6y n THR 38 N 3.30 0.00 0.27 -0.82 -2.24 -1.26 -2.84 114.28 110.69 1j6y n THR 38 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1j6y n THR 38 Cb 0.52 -0.05 -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 0.03 -0.57 0.00 0.00 175.07 174.53 1j6y h ARG 39 N 0.00 -0.64 0.50 -0.78 2.47 -1.92 0.54 114.38 114.54 1j6y h ARG 39 Ca 0.00 0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1j6y h ARG 39 Cb 0.00 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1j6y h ARG 39 CO 0.00 -0.43 -0.24 1.49 0.56 0.00 0.00 179.97 181.35 1j6y h GLU 40 N -0.67 -0.64 -0.44 0.04 4.81 -1.99 -2.85 114.58 112.84 1j6y h GLU 40 Ca -0.06 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1j6y h GLU 40 Cb 0.52 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 1j6y h GLU 40 CO 0.09 -0.36 -0.14 0.00 -0.73 0.00 0.00 179.01 177.87 1j6y h ALA 41 N -0.42 0.23 -0.17 2.92 0.00 -1.93 -1.97 119.26 117.93 1j6y h ALA 41 Ca -0.07 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1j6y h ALA 41 Cb 0.58 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1j6y h ALA 41 CO 0.11 -0.48 -0.18 0.00 0.00 0.00 0.00 179.25 178.69 1j6y h ALA 42 N 1.35 -0.41 -0.96 0.00 0.00 0.18 0.43 119.26 119.85 1j6y h ALA 42 Ca 0.21 0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.41 1j6y h ALA 42 Cb 0.37 0.89 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1j6y h ALA 42 CO -0.47 -0.50 0.44 0.28 0.00 0.00 0.00 179.25 179.00 1j6y h VAL 43 N -0.11 0.31 -0.02 0.00 2.07 -1.23 0.36 116.25 117.64 1j6y h VAL 43 Ca 0.03 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1j6y h VAL 43 Cb 0.18 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1j6y h VAL 43 CO -0.21 0.05 0.01 -0.08 0.02 0.00 0.00 177.57 177.36 1j6y h GLU 44 N 0.29 0.02 -0.59 1.57 4.81 0.26 1.01 114.58 121.95 1j6y h GLU 44 Ca 0.66 -0.00 0.17 0.00 -0.13 0.00 0.00 59.36 60.06 1j6y h GLU 44 Cb 1.44 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 1j6y h GLU 44 CO -0.62 0.09 0.43 0.37 -0.73 0.00 0.00 179.01 178.54 1j6y h GLN 45 N -0.05 0.00 0.09 1.92 -0.00 0.37 0.17 115.11 117.61 1j6y h GLN 45 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 1j6y h GLN 45 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 1j6y h GLN 45 CO -0.00 0.00 -1.50 -0.07 0.00 0.00 0.00 178.83 177.26 1j6y h LEU 46 N 0.00 0.30 -0.65 -2.39 4.07 0.21 -2.76 115.31 114.08 1j6y h LEU 46 Ca 0.28 -0.42 0.13 0.00 0.08 0.00 0.00 57.88 57.95 1j6y h LEU 46 Cb 1.14 -0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.66 1j6y h LEU 46 CO -0.00 1.35 -0.15 0.11 -1.08 0.00 0.00 178.44 178.67 1j6y h LYS 47 N 0.05 0.01 0.12 1.13 1.79 0.41 0.73 116.57 120.81 1j6y h LYS 47 Ca -0.22 -0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.96 1j6y h LYS 47 Cb 1.99 -0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.65 1j6y h LYS 47 CO 0.15 0.01 -1.22 0.66 -1.08 0.00 0.00 179.45 177.96 1j6y h SER 48 N 0.01 0.63 -0.27 0.86 4.64 -1.62 -3.04 113.55 114.76 1j6y h SER 48 Ca 0.32 -0.61 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 1j6y h SER 48 Cb 0.49 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 1j6y h SER 48 CO -0.66 1.45 -0.23 -0.29 -0.87 0.00 0.00 176.83 176.22 1j6y h ILE 49 N 0.17 0.40 -0.87 0.95 -0.00 -0.79 1.87 117.51 119.24 1j6y h ILE 49 Ca -0.16 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.73 1j6y h ILE 49 Cb 1.91 0.40 -0.05 0.00 -0.00 0.00 0.00 36.82 39.08 1j6y h ILE 49 CO 0.22 0.00 0.57 -0.09 -0.00 0.00 0.00 178.15 178.84 1j6y h ARG 50 N -0.23 1.09 0.37 2.19 2.43 -1.02 1.33 114.38 120.54 1j6y h ARG 50 Ca 0.14 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1j6y h ARG 50 Cb 0.45 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1j6y h ARG 50 CO -0.40 0.72 -0.18 1.49 -1.51 0.00 0.00 179.97 180.10 1j6y h GLU 51 N 1.13 -0.48 -0.33 0.20 4.57 -0.70 1.39 114.58 120.35 1j6y h GLU 51 Ca 0.34 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1j6y h GLU 51 Cb -0.05 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1j6y h GLU 51 CO -0.10 -0.25 0.22 0.22 -1.18 0.00 0.00 179.01 177.92 1j6y h ASP 52 N -0.63 0.38 0.27 1.04 1.82 0.32 0.32 116.42 119.95 1j6y h ASP 52 Ca -0.05 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1j6y h ASP 52 Cb 0.46 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 1j6y h ASP 52 CO 0.08 0.29 -0.06 0.40 -1.61 0.00 0.00 179.24 178.34 1j6y h ILE 53 N 0.45 0.41 0.18 2.25 1.08 0.20 -3.04 117.51 119.04 1j6y h ILE 53 Ca 0.12 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1j6y h ILE 53 Cb -0.04 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1j6y h ILE 53 CO -0.03 0.06 -0.09 0.58 -0.69 0.00 0.00 178.15 177.99 1j6y h VAL 54 N 0.00 0.00 -1.14 1.67 2.07 0.54 -3.47 116.25 115.92 1j6y h VAL 54 Ca -0.00 -0.29 -0.49 0.00 0.82 0.00 0.00 66.70 66.74 1j6y h VAL 54 Cb 0.21 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1j6y h VAL 54 CO 0.01 0.00 -0.03 -0.55 0.02 0.00 0.00 177.57 177.02 1j6y s SER 55 N -3.71 4.81 -0.04 0.57 0.15 0.56 -4.91 113.70 111.13 1j6y s SER 55 Ca -0.04 -0.74 -0.03 0.00 0.70 0.00 0.00 55.95 55.84 1j6y s SER 55 Cb 0.00 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 1j6y s SER 55 CO 0.11 -1.55 0.07 0.61 1.20 0.00 0.00 173.24 173.67 1j6y n GLY 56 N -2.46 -4.96 2.39 9.45 0.00 -1.26 -4.54 105.19 103.81 1j6y n GLY 56 Ca 0.16 0.39 -0.05 0.00 0.00 0.00 0.00 46.02 46.52 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 1.33 0.73 0.00 1.61 4.81 -1.26 -4.83 118.16 120.54 1j6y n LYS 57 Ca -0.11 -0.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.91 1j6y n LYS 57 Cb 0.18 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.49 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 3.05 0.00 -1.82 3.14 0.00 -1.26 -5.07 120.51 118.54 1j6y n ALA 58 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1j6y n ALA 58 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1j6y n ALA 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1j6y n ASN 59 N -2.09 0.00 0.00 0.00 0.23 -1.26 -5.06 115.26 107.08 1j6y n ASN 59 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1j6y n ASN 59 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1j6y n ASN 59 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1j6y n PHE 60 N 0.00 0.00 0.00 -2.53 -0.00 -1.26 -5.00 117.46 108.67 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 -0.20 0.00 -0.34 -4.13 1.02 -1.26 -1.76 120.64 113.97 1j6y n GLU 61 Ca 0.00 0.35 0.15 0.00 -0.02 0.00 0.00 57.16 57.64 1j6y n GLU 61 Cb 0.00 -1.24 0.30 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.01 -0.21 3.49 4.81 -1.96 0.78 114.58 121.49 1j6y h GLU 62 Ca 0.00 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1j6y h GLU 62 Cb 0.00 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1j6y h GLU 62 CO 0.00 0.00 -0.12 0.28 -0.73 0.00 0.00 179.01 178.44 1j6y h VAL 63 N 0.01 0.63 0.18 0.32 2.07 -1.94 -2.44 116.25 115.08 1j6y h VAL 63 Ca 0.61 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.12 1j6y h VAL 63 Cb 1.26 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1j6y h VAL 63 CO -0.92 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 176.58 1j6y h ALA 64 N 1.06 -0.24 -1.57 1.67 0.00 0.13 0.30 119.26 120.60 1j6y h ALA 64 Ca 0.12 -0.06 0.46 0.00 0.00 0.00 0.00 54.91 55.43 1j6y h ALA 64 Cb 0.28 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1j6y h ALA 64 CO -0.28 -0.63 1.12 1.79 0.00 0.00 0.00 179.25 181.25 1j6y h THR 65 N -0.26 0.19 0.00 0.00 1.35 -0.56 -0.37 112.91 113.26 1j6y h THR 65 Ca -0.03 -0.01 -0.19 0.00 -0.55 0.00 0.00 66.41 65.64 1j6y h THR 65 Cb 0.20 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 1j6y h THR 65 CO 0.04 0.00 -1.40 -1.14 -0.25 0.00 0.00 175.52 172.77 1j6y n ARG 66 N -4.14 0.54 -1.80 4.72 0.63 -0.74 -4.47 116.66 111.40 1j6y n ARG 66 Ca 0.36 0.37 -0.34 0.00 -0.92 0.00 0.00 57.85 57.32 1j6y n ARG 66 Cb 1.62 -1.57 -0.02 0.00 0.45 0.00 0.00 32.46 32.94 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 -4.43 4.14 -4.39 5.15 3.14 0.97 -4.94 118.33 117.97 1j6y n VAL 67 Ca -0.28 -3.83 -0.20 0.00 -2.96 0.00 0.00 64.34 57.07 1j6y n VAL 67 Cb 0.61 -1.66 -0.10 0.00 -1.06 0.00 0.00 33.84 31.62 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 -0.02 2.66 -1.05 6.55 0.01 -0.21 0.14 113.70 121.78 1j6y s SER 68 Ca 0.55 -1.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.43 1j6y s SER 68 Cb 0.32 -0.15 -0.22 0.00 0.21 0.00 0.00 66.02 66.18 1j6y s SER 68 CO -0.21 -0.27 2.06 -0.67 0.41 0.00 0.00 173.24 174.57 1j6y n ASP 69 N -0.49 1.59 0.00 2.44 -0.08 -1.26 -4.21 116.55 114.54 1j6y n ASP 69 Ca -0.06 -2.53 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 1j6y n ASP 69 Cb 0.62 -1.67 0.00 0.00 2.34 0.00 0.00 41.12 42.41 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 -0.60 -0.97 0.00 0.87 -2.00 2.28 113.55 113.12 1j6y h SER 71 Ca 0.00 0.22 0.22 0.00 -1.23 0.00 0.00 61.79 61.01 1j6y h SER 71 Cb 0.00 0.44 -0.08 0.00 -0.44 0.00 0.00 62.40 62.32 1j6y h SER 71 CO 0.00 -0.24 0.63 0.28 -0.53 0.00 0.00 176.83 176.97 1j6y h SER 72 N 0.03 0.51 -0.88 6.23 0.02 -0.13 0.83 113.55 120.16 1j6y h SER 72 Ca 0.39 0.07 0.20 0.00 -0.84 0.00 0.00 61.79 61.61 1j6y h SER 72 Cb 0.65 -0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.05 1j6y h SER 72 CO -0.77 0.17 0.40 0.00 -1.14 0.00 0.00 176.83 175.49 1j6y h ALA 73 N 1.62 1.38 0.00 3.77 0.00 0.37 2.68 119.26 129.07 1j6y h ALA 73 Ca 0.54 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.50 1j6y h ALA 73 Cb 1.22 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1j6y h ALA 73 CO -0.26 -0.27 -0.39 -0.22 0.00 0.00 0.00 179.25 178.10 1j6y h LYS 74 N 0.46 0.00 -1.23 0.00 3.64 0.78 -2.94 116.57 117.28 1j6y h LYS 74 Ca 0.53 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 59.30 1j6y h LYS 74 Cb 0.94 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.37 1j6y h LYS 74 CO -0.48 0.39 -0.36 0.54 -2.27 0.00 0.00 179.45 177.27 1j6y n ARG 75 N -3.92 3.33 0.24 1.90 1.74 0.74 -4.78 116.66 115.91 1j6y n ARG 75 Ca -0.01 -4.13 0.17 0.00 -0.77 0.00 0.00 57.85 53.11 1j6y n ARG 75 Cb 0.44 -2.27 0.75 0.00 -1.02 0.00 0.00 32.46 30.36 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 2.42 0.00 0.00 -0.13 0.00 0.36 -3.25 103.07 102.47 1j6y h GLY 76 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1j6y h GLY 76 CO 0.97 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.12 1j6y n GLY 77 N -1.34 -1.20 3.38 4.60 0.00 -1.26 -4.57 105.19 104.80 1j6y n GLY 77 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.77 0.38 -0.03 1.61 -4.77 -1.23 -3.29 116.67 107.58 1j6y s ASP 78 Ca 0.00 -1.31 -0.18 0.00 -3.30 0.00 0.00 52.55 47.77 1j6y s ASP 78 Cb 0.00 0.52 -0.10 0.00 -1.09 0.00 0.00 42.92 42.24 1j6y s ASP 78 CO 0.00 -1.04 0.74 -0.07 0.70 0.00 0.00 175.17 175.50 1j6y h LEU 79 N 2.36 -0.48 0.00 2.11 4.07 -0.67 -3.47 115.31 119.22 1j6y h LEU 79 Ca -0.30 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1j6y h LEU 79 Cb 1.25 0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1j6y h LEU 79 CO 0.43 -0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.35 1j6y n GLY 80 N 0.24 1.72 3.25 0.83 0.00 -1.06 -4.96 105.19 105.21 1j6y n GLY 80 Ca -0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.48 0.00 1.61 1.04 -1.26 -2.63 113.70 107.98 1j6y s SER 81 Ca 0.00 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1j6y s SER 81 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 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 4.15 0.00 0.00 5.02 -1.74 -1.14 -4.86 117.46 118.89 1j6y n PHE 82 Ca -0.23 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.66 1j6y n PHE 82 Cb 0.55 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.55 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 1.24 3.15 4.97 0.00 -1.26 0.22 105.19 113.51 1j6y n GLY 83 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1j6y n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j6y s ARG 84 N 0.00 0.55 0.00 1.61 3.03 -1.26 -4.93 118.95 117.95 1j6y s ARG 84 Ca 0.00 0.27 0.00 0.00 2.03 0.00 0.00 55.73 58.03 1j6y s ARG 84 Cb 0.00 0.18 0.00 0.00 -1.03 0.00 0.00 34.95 34.10 1j6y s ARG 84 CO 0.00 -0.95 0.00 0.41 -1.13 0.00 0.00 175.30 173.63 1j6y n GLY 85 N 5.05 0.78 0.98 3.88 0.00 -1.26 -4.99 105.19 109.62 1j6y n GLY 85 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 0.04 0.00 1.61 6.02 -1.26 -5.07 117.38 118.72 1j6y n GLN 86 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1j6y n GLN 86 Cb 0.00 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 30.72 1j6y n GLN 86 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1j6y n MET 87 N -3.51 2.55 0.00 -1.09 1.56 -1.26 -5.06 117.12 110.31 1j6y n MET 87 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1j6y n MET 87 Cb 0.04 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.41 1j6y n MET 87 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1j6y n GLN 88 N 0.00 0.00 0.00 2.12 6.02 -1.26 -5.03 117.38 119.23 1j6y n GLN 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1j6y n GLN 88 Cb 0.00 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.13 1j6y n GLN 88 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1j6y n LYS 89 N -2.47 0.00 -0.15 -1.09 5.02 -1.26 -4.98 118.16 113.24 1j6y n LYS 89 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1j6y n LYS 89 Cb 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.07 1j6y n LYS 89 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1j6y h PRO 90 N 0.00 0.71 0.64 1.97 0.13 -1.98 -2.87 132.00 130.59 1j6y h PRO 90 Ca 0.00 -0.20 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1j6y h PRO 90 Cb 0.00 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.06 1j6y h PRO 90 CO 0.00 0.76 -0.31 0.35 -0.23 0.00 0.00 178.00 178.57 1j6y h PHE 91 N 0.56 -0.79 -0.06 1.56 3.04 -1.93 -2.82 116.94 116.50 1j6y h PHE 91 Ca 0.13 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1j6y h PHE 91 Cb 0.40 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 1j6y h PHE 91 CO 0.03 -0.46 -0.04 0.93 -2.02 0.00 0.00 178.31 176.75 1j6y h GLU 92 N -0.96 -0.01 -1.08 1.11 5.08 -1.93 1.53 114.58 118.33 1j6y h GLU 92 Ca -0.09 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.59 1j6y h GLU 92 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1j6y h GLU 92 CO 0.14 -0.00 1.00 1.05 -1.00 0.00 0.00 179.01 180.20 1j6y h GLU 93 N -0.01 0.00 0.49 2.33 4.11 -1.56 0.80 114.58 120.74 1j6y h GLU 93 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1j6y h GLU 93 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1j6y h GLU 93 CO -0.06 0.00 -0.24 0.00 0.07 0.00 0.00 179.01 178.78 1j6y h ALA 94 N 1.01 -0.66 -0.32 1.06 0.00 0.24 0.41 119.26 121.00 1j6y h ALA 94 Ca 0.51 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1j6y h ALA 94 Cb 2.51 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 20.54 1j6y h ALA 94 CO -0.01 -0.66 -0.23 1.15 0.00 0.00 0.00 179.25 179.50 1j6y h THR 95 N -1.08 1.27 0.00 0.00 2.02 0.59 1.80 112.91 117.50 1j6y h THR 95 Ca -0.07 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 1j6y h THR 95 Cb 0.58 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1j6y h THR 95 CO 0.11 0.42 -0.25 1.88 0.37 0.00 0.00 175.52 178.05 1j6y h TYR 96 N 0.54 0.00 0.08 3.16 0.05 0.43 -3.08 116.97 118.14 1j6y h TYR 96 Ca 0.08 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.49 1j6y h TYR 96 Cb 0.69 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.39 1j6y h TYR 96 CO 0.03 0.25 -2.15 0.00 -1.05 0.00 0.00 178.16 175.24 1j6y n ALA 97 N -2.35 1.11 -1.60 3.88 0.00 0.14 -4.94 120.51 116.76 1j6y n ALA 97 Ca -0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 53.44 52.33 1j6y n ALA 97 Cb 0.35 -0.49 0.05 0.00 0.00 0.00 0.00 19.45 19.37 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 -6.78 3.09 0.00 0.00 0.20 0.60 -5.03 118.68 110.76 1j6y s LEU 98 Ca -0.25 1.57 0.00 0.00 0.69 0.00 0.00 54.13 56.14 1j6y s LEU 98 Cb 0.07 -4.44 0.00 0.00 -0.43 0.00 0.00 46.19 41.40 1j6y s LEU 98 CO 0.72 -1.44 0.00 0.29 -0.29 0.00 0.00 176.35 175.63 1j6y n LYS 99 N -3.13 0.00 -0.49 1.98 4.01 -1.26 -4.79 118.16 114.48 1j6y n LYS 99 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1j6y n LYS 99 Cb 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.06 1j6y n LYS 99 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1j6y n VAL 100 N -0.54 0.00 -1.92 -0.18 0.31 -1.26 -4.54 118.33 110.20 1j6y n VAL 100 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1j6y n VAL 100 Cb 0.00 0.04 0.02 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.00 1.03 0.00 2.92 0.00 -1.26 -4.36 105.19 103.52 1j6y n GLY 101 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 4.22 -0.79 1.61 9.92 -1.26 -4.99 116.55 125.13 1j6y n ASP 102 Ca 0.02 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.19 1j6y n ASP 102 Cb 0.72 0.45 -0.04 0.00 -0.64 0.00 0.00 41.12 41.61 1j6y n ASP 102 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1j6y n ILE 103 N -1.73 0.00 -2.15 0.53 5.41 -1.26 -4.18 119.36 115.98 1j6y n ILE 103 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1j6y n ILE 103 Cb 0.39 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 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 -0.72 -8.97 0.08 4.38 3.41 -1.26 -4.16 113.62 106.38 1j6y n SER 104 Ca -0.09 1.56 -0.03 0.00 -0.26 0.00 0.00 58.87 60.05 1j6y n SER 104 Cb 0.51 -4.96 -0.01 0.00 -0.26 0.00 0.00 64.21 59.48 1j6y n SER 104 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1j6y h ASP 105 N 4.10 -0.17 -2.80 4.04 1.82 -1.97 -3.45 116.42 117.99 1j6y h ASP 105 Ca 0.00 0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 1j6y h ASP 105 Cb 0.00 0.04 -0.33 0.00 0.68 0.00 0.00 39.33 39.72 1j6y h ASP 105 CO 0.00 -0.10 -0.56 -0.63 -1.61 0.00 0.00 179.24 176.34 1j6y s ILE 106 N -3.06 -0.38 -0.35 2.25 1.01 -1.26 -4.66 121.20 114.74 1j6y s ILE 106 Ca -0.03 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1j6y s ILE 106 Cb 0.00 -0.48 0.04 0.00 0.01 0.00 0.00 42.46 42.03 1j6y s ILE 106 CO 0.09 0.06 0.13 -0.69 0.00 0.00 0.00 174.94 174.53 1j6y s VAL 107 N 2.39 3.99 -0.22 2.92 1.01 -1.09 -5.00 120.40 124.40 1j6y s VAL 107 Ca 0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1j6y s VAL 107 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1j6y s VAL 107 CO -0.09 -0.19 -0.00 -1.81 0.00 0.00 0.00 175.10 173.01 1j6y s ASP 108 N 1.44 4.69 0.00 3.32 1.01 -1.26 0.25 116.67 126.12 1j6y s ASP 108 Ca -0.01 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1j6y s ASP 108 Cb -0.19 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 41.92 1j6y s ASP 108 CO 0.04 0.01 0.00 0.35 0.21 0.00 0.00 175.17 175.78 1j6y n THR 109 N 4.59 0.00 -1.05 -1.27 -2.24 -0.03 -4.95 114.28 109.34 1j6y n THR 109 Ca -0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 1j6y n THR 109 Cb 0.51 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.60 -4.30 0.00 3.42 2.03 -1.26 -1.44 116.55 113.40 1j6y n ASP 110 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1j6y n ASP 110 Cb 0.00 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 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 2.01 0.00 0.00 1.67 2.88 -1.26 -4.72 113.62 114.20 1j6y n SER 111 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 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 -0.54 3.80 0.46 0.00 -0.52 -4.75 105.19 103.65 1j6y n GLY 112 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.43 5.22 0.20 1.61 -7.23 -1.24 -0.85 120.40 114.68 1j6y s VAL 113 Ca 0.00 0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.81 1j6y s VAL 113 Cb 0.00 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.31 1j6y s VAL 113 CO 0.00 0.51 0.05 1.41 -0.31 0.00 0.00 175.10 176.76 1j6y n HIS 114 N 2.53 -0.07 -4.27 2.82 -0.00 0.69 -1.14 115.22 115.78 1j6y n HIS 114 Ca -0.14 -0.93 -0.15 0.00 -0.00 0.00 0.00 57.72 56.50 1j6y n HIS 114 Cb 0.53 -0.14 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 1j6y n HIS 114 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1j6y s ILE 115 N -1.48 0.40 0.05 1.59 -4.36 -0.97 -2.69 121.20 113.74 1j6y s ILE 115 Ca 0.04 -1.99 -0.06 0.00 -0.26 0.00 0.00 60.65 58.38 1j6y s ILE 115 Cb -0.00 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 1j6y s ILE 115 CO 0.02 -0.07 0.10 -0.63 0.24 0.00 0.00 174.94 174.61 1j6y s ILE 116 N -3.87 0.14 -0.28 8.37 1.01 -1.26 -2.73 121.20 122.58 1j6y s ILE 116 Ca 0.36 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1j6y s ILE 116 Cb 0.07 -1.01 0.12 0.00 0.01 0.00 0.00 42.46 41.65 1j6y s ILE 116 CO 0.12 -0.64 0.89 -0.75 0.00 0.00 0.00 174.94 174.56 1j6y s LYS 117 N -2.88 0.53 0.00 2.79 2.20 -1.12 -4.20 119.74 117.06 1j6y s LYS 117 Ca -0.03 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1j6y s LYS 117 Cb 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1j6y s LYS 117 CO -0.06 -0.10 0.00 -2.13 -0.36 0.00 0.00 175.35 172.70 1j6y n ARG 118 N 3.51 0.00 -0.00 4.03 0.00 -1.26 -0.10 116.66 122.83 1j6y n ARG 118 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1j6y n ARG 118 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1j6y n ARG 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1j6y n THR 119 N -2.06 0.04 0.01 5.15 -1.04 -1.26 -4.88 114.28 110.25 1j6y n THR 119 Ca 0.00 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1j6y n THR 119 Cb 0.00 0.99 0.01 0.00 -1.82 0.00 0.00 70.33 69.51 1j6y n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43