#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 -2.77 -1.40 1.56 -1.26 -2.59 117.12 110.66 1j6y n MET 2 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.34 1j6y n MET 2 Cb 0.00 0.00 0.08 0.00 2.15 0.00 0.00 33.22 35.45 1j6y n MET 2 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1j6y n ALA 3 N 0.73 0.67 0.00 -5.12 0.00 -1.26 -4.95 120.51 110.58 1j6y n ALA 3 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1j6y n ALA 3 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.02 0.00 -0.38 0.00 2.88 -1.07 -5.15 113.62 109.87 1j6y n SER 4 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1j6y n SER 4 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.24 0.00 0.09 -1.46 1.74 -1.26 -4.90 116.66 109.63 1j6y n ARG 5 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j6y n ARG 5 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -3.58 -0.07 -1.94 0.55 -0.08 -1.26 -5.04 116.55 105.13 1j6y n ASP 6 Ca 0.00 0.30 -0.02 0.00 -1.51 0.00 0.00 54.79 53.56 1j6y n ASP 6 Cb 0.00 0.24 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 1j6y n ASP 6 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1j6y n GLN 7 N -3.13 -2.29 -1.86 -0.67 7.27 -1.26 -4.82 117.38 110.63 1j6y n GLN 7 Ca 0.00 1.96 -0.39 0.00 0.07 0.00 0.00 57.00 58.64 1j6y n GLN 7 Cb 0.01 -2.87 -0.03 0.00 2.41 0.00 0.00 30.24 29.76 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 -0.31 3.26 0.57 1.69 0.11 0.67 -4.40 120.40 121.99 1j6y s VAL 8 Ca -0.11 0.20 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1j6y s VAL 8 Cb 0.01 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 1j6y s VAL 8 CO 0.30 -0.45 0.92 -0.54 -3.33 0.00 0.00 175.10 172.00 1j6y s LYS 9 N 6.93 3.44 0.00 1.54 1.02 -1.25 -2.50 119.74 128.91 1j6y s LYS 9 Ca 0.82 0.42 0.00 0.00 0.02 0.00 0.00 55.97 57.22 1j6y s LYS 9 Cb -0.18 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1j6y s LYS 9 CO 0.27 -0.48 0.00 0.00 -0.92 0.00 0.00 175.35 174.22 1j6y n ALA 10 N -2.55 0.00 -4.45 5.17 0.00 -1.07 -4.78 120.51 112.82 1j6y n ALA 10 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 1j6y n ALA 10 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 1.53 -3.62 0.00 3.41 -1.13 -1.80 113.62 112.01 1j6y n SER 11 Ca 0.00 -3.02 -0.06 0.00 -0.26 0.00 0.00 58.87 55.53 1j6y n SER 11 Cb 0.00 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 64.79 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 -2.93 -0.25 0.29 7.33 -3.43 -1.20 -2.84 115.29 112.26 1j6y s HIS 12 Ca 0.16 0.03 -0.05 0.00 -0.80 0.00 0.00 55.06 54.40 1j6y s HIS 12 Cb 0.01 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1j6y s HIS 12 CO 0.11 -0.68 0.41 0.42 -2.00 0.00 0.00 174.74 173.00 1j6y s ILE 13 N -3.20 0.00 -0.10 -5.38 1.01 -0.64 -4.75 121.20 108.13 1j6y s ILE 13 Ca 0.08 -1.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.05 1j6y s ILE 13 Cb -0.01 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 40.02 1j6y s ILE 13 CO -0.04 0.00 0.25 -0.22 0.00 0.00 0.00 174.94 174.93 1j6y s LEU 14 N -3.16 0.62 -0.01 2.97 2.96 0.16 -1.98 118.68 120.25 1j6y s LEU 14 Ca 0.30 0.53 0.17 0.00 -0.22 0.00 0.00 54.13 54.90 1j6y s LEU 14 Cb 0.01 0.79 -0.21 0.00 0.50 0.00 0.00 46.19 47.28 1j6y s LEU 14 CO 0.15 -0.14 0.60 -0.38 -1.32 0.00 0.00 176.35 175.26 1j6y n ILE 15 N 3.78 0.00 -1.07 6.68 5.41 -0.97 -3.36 119.36 129.83 1j6y n ILE 15 Ca -0.21 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1j6y n ILE 15 Cb 0.55 0.69 0.00 0.00 -0.71 0.00 0.00 39.64 40.17 1j6y n ILE 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1j6y n LYS 16 N -1.64 -3.07 0.00 0.38 0.00 -1.26 -4.97 118.16 107.60 1j6y n LYS 16 Ca 0.01 2.29 0.00 0.00 0.00 0.00 0.00 58.31 60.61 1j6y n LYS 16 Cb 0.33 -2.58 0.00 0.00 0.00 0.00 0.00 35.03 32.78 1j6y n LYS 16 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1j6y n HIS 17 N -0.92 0.00 0.00 5.64 1.44 -1.26 -4.82 115.22 115.30 1j6y n HIS 17 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1j6y n HIS 17 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -0.77 -4.82 117.38 111.52 1j6y n GLN 18 Ca 0.00 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 1j6y n GLN 18 Cb 0.00 -0.99 0.00 0.00 0.11 0.00 0.00 30.24 29.36 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 -0.89 0.20 2.70 1.08 0.00 -1.26 -4.81 105.19 102.21 1j6y n GLY 19 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1j6y n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j6y n SER 20 N -3.70 -1.91 -0.61 1.61 7.64 -1.26 -5.07 113.62 110.32 1j6y n SER 20 Ca 0.00 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.51 1j6y n SER 20 Cb 0.00 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 1j6y n SER 20 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j6y n ARG 21 N 1.56 0.00 -0.83 1.43 5.12 -1.26 -4.97 116.66 117.70 1j6y n ARG 21 Ca 0.04 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 1j6y n ARG 21 Cb 0.68 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.93 1j6y n ARG 21 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1j6y n ARG 22 N 0.00 1.61 0.00 5.56 1.74 -1.26 -4.91 116.66 119.40 1j6y n ARG 22 Ca 0.00 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1j6y n ARG 22 Cb 0.00 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1j6y n ARG 22 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1j6y n LYS 23 N 1.53 0.00 -4.38 5.56 4.81 -1.26 -4.47 118.16 119.95 1j6y n LYS 23 Ca 0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.48 1j6y n LYS 23 Cb 0.65 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.60 1j6y n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j6y s ALA 24 N -1.00 2.10 -0.80 3.14 0.00 -1.26 -4.81 121.76 119.14 1j6y s ALA 24 Ca 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 51.96 50.20 1j6y s ALA 24 Cb 0.00 0.99 0.36 0.00 0.00 0.00 0.00 23.12 24.47 1j6y s ALA 24 CO 0.00 -0.44 1.88 0.45 0.00 0.00 0.00 175.76 177.65 1j6y n SER 25 N -0.82 7.09 -2.53 0.00 2.88 -1.26 -4.98 113.62 114.00 1j6y n SER 25 Ca -0.01 -3.81 -0.06 0.00 -1.33 0.00 0.00 58.87 53.66 1j6y n SER 25 Cb 0.66 -0.98 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 1j6y n SER 25 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1j6y n TRP 26 N -0.51 -0.51 -1.21 0.66 5.03 -1.26 -5.01 117.44 114.63 1j6y n TRP 26 Ca 0.51 -0.47 0.00 0.00 3.03 0.00 0.00 57.50 60.57 1j6y n TRP 26 Cb 0.30 -0.08 0.00 0.00 -1.03 0.00 0.00 31.31 30.50 1j6y n TRP 26 CO 0.00 0.00 0.00 0.36 -0.03 0.00 0.00 177.69 178.02 1j6y n LYS 27 N -0.48 0.00 -0.05 -0.99 -0.00 -1.26 -4.94 118.16 110.43 1j6y n LYS 27 Ca -0.02 -0.31 -0.04 0.00 -0.00 0.00 0.00 58.31 57.94 1j6y n LYS 27 Cb 0.12 -0.39 -0.01 0.00 -0.00 0.00 0.00 35.03 34.75 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j6y n ASP 28 N 0.00 1.38 -4.79 -5.58 9.92 -1.26 -4.94 116.55 111.29 1j6y n ASP 28 Ca 0.00 0.53 -0.35 0.00 -0.53 0.00 0.00 54.79 54.45 1j6y n ASP 28 Cb 0.45 -0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 40.12 1j6y n ASP 28 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1j6y s PRO 29 N -1.97 3.71 0.13 -0.24 0.04 -1.26 -5.06 135.00 130.34 1j6y s PRO 29 Ca -0.12 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.45 1j6y s PRO 29 Cb 0.02 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1j6y s PRO 29 CO 0.17 -0.53 -0.13 -1.83 0.04 0.00 0.00 177.00 174.73 1j6y s GLU 30 N -3.15 1.02 -0.25 4.56 -1.05 -1.26 -5.03 118.70 113.54 1j6y s GLU 30 Ca 0.68 -1.27 -0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1j6y s GLU 30 Cb -0.20 -0.82 0.04 0.00 -0.44 0.00 0.00 34.13 32.71 1j6y s GLU 30 CO 0.23 0.15 -0.09 0.20 0.95 0.00 0.00 175.26 176.70 1j6y s GLY 31 N -2.60 1.61 0.00 -3.83 0.00 -1.26 -5.03 107.32 96.22 1j6y s GLY 31 Ca 0.10 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1j6y s GLY 31 CO 0.02 0.53 0.75 1.17 0.00 0.00 0.00 173.10 175.57 1j6y n LYS 32 N 4.60 0.00 0.00 2.90 4.81 -1.26 -4.97 118.16 124.23 1j6y n LYS 32 Ca -0.16 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1j6y n LYS 32 Cb 0.46 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1j6y n LYS 32 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1j6y n ILE 33 N -1.75 0.00 -1.83 3.15 2.08 -1.26 -5.13 119.36 114.62 1j6y n ILE 33 Ca 0.00 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.93 1j6y n ILE 33 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 38.92 1j6y n ILE 33 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1j6y s ILE 34 N -1.87 2.17 0.24 1.39 1.09 -1.26 -5.00 121.20 117.96 1j6y s ILE 34 Ca 0.00 0.13 -0.20 0.00 -1.10 0.00 0.00 60.65 59.48 1j6y s ILE 34 Cb 0.00 -3.07 0.07 0.00 -1.06 0.00 0.00 42.46 38.40 1j6y s ILE 34 CO 0.00 0.00 0.98 -1.48 -0.10 0.00 0.00 174.94 174.34 1j6y s LEU 35 N -3.38 0.01 0.00 2.97 -0.00 -1.26 -5.12 118.68 111.89 1j6y s LEU 35 Ca 0.70 -0.80 0.00 0.00 -0.00 0.00 0.00 54.13 54.02 1j6y s LEU 35 Cb -0.40 2.28 0.00 0.00 -0.00 0.00 0.00 46.19 48.07 1j6y s LEU 35 CO 0.48 -1.17 0.00 1.07 -0.00 0.00 0.00 176.35 176.72 1j6y n THR 36 N -0.66 0.00 -2.81 5.48 5.66 -1.26 -5.09 114.28 115.60 1j6y n THR 36 Ca -0.04 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.94 1j6y n THR 36 Cb 0.59 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.36 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 -9.17 -3.76 1.09 -1.04 -1.26 -4.61 114.28 95.54 1j6y n THR 37 Ca 0.00 1.71 -0.07 0.00 -2.04 0.00 0.00 64.05 63.65 1j6y n THR 37 Cb 0.00 -5.53 -0.00 0.00 -1.82 0.00 0.00 70.33 62.98 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 1.44 0.00 0.00 12.58 -2.24 -1.26 -1.85 114.28 122.95 1j6y n THR 38 Ca -0.15 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1j6y n THR 38 Cb 0.31 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1j6y n THR 38 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j6y n ARG 39 N -0.69 0.00 -0.15 -0.78 1.74 -1.26 0.20 116.66 115.72 1j6y n ARG 39 Ca -0.02 0.69 -0.09 0.00 -0.77 0.00 0.00 57.85 57.67 1j6y n ARG 39 Cb 0.16 -1.25 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 1j6y n ARG 39 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1j6y h GLU 40 N 0.00 -0.19 -0.40 5.56 4.81 -1.99 0.15 114.58 122.52 1j6y h GLU 40 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1j6y h GLU 40 Cb 0.00 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 1j6y h GLU 40 CO 0.00 -0.12 -0.54 0.00 -0.73 0.00 0.00 179.01 177.62 1j6y h ALA 41 N -0.30 -0.73 -0.69 2.92 0.00 -1.81 0.21 119.26 118.86 1j6y h ALA 41 Ca 0.07 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1j6y h ALA 41 Cb 0.37 1.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.13 1j6y h ALA 41 CO -0.48 -1.02 -0.51 0.00 0.00 0.00 0.00 179.25 177.24 1j6y h ALA 42 N 0.03 -0.48 -0.24 0.00 0.00 0.34 0.71 119.26 119.61 1j6y h ALA 42 Ca 0.08 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1j6y h ALA 42 Cb 0.60 1.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 1j6y h ALA 42 CO -0.59 -0.92 -0.32 0.28 0.00 0.00 0.00 179.25 177.70 1j6y h VAL 43 N -0.19 0.27 -0.41 0.00 2.07 0.35 0.31 116.25 118.65 1j6y h VAL 43 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1j6y h VAL 43 Cb 0.53 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 1j6y h VAL 43 CO -0.76 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 176.31 1j6y h GLU 44 N -0.33 -0.10 -0.58 1.57 5.08 0.26 2.18 114.58 122.65 1j6y h GLU 44 Ca 0.13 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1j6y h GLU 44 Cb 0.54 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1j6y h GLU 44 CO -0.43 -0.07 0.39 0.37 -1.00 0.00 0.00 179.01 178.28 1j6y h GLN 45 N -0.11 0.36 0.00 2.33 5.75 0.18 0.29 115.11 123.92 1j6y h GLN 45 Ca 0.20 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1j6y h GLN 45 Cb 0.42 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1j6y h GLN 45 CO -0.48 0.24 -0.39 -0.07 -2.65 0.00 0.00 178.83 175.48 1j6y h LEU 46 N 0.38 0.00 0.65 -2.39 4.07 0.42 -3.00 115.31 115.44 1j6y h LEU 46 Ca 0.27 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 1j6y h LEU 46 Cb 0.56 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.31 1j6y h LEU 46 CO -0.07 0.00 -0.31 0.11 -1.08 0.00 0.00 178.44 177.09 1j6y h LYS 47 N 0.00 -0.84 -0.68 1.13 1.79 0.70 -2.23 116.57 116.43 1j6y h LYS 47 Ca 0.00 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1j6y h LYS 47 Cb 0.98 0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.79 1j6y h LYS 47 CO 0.00 -0.56 0.45 1.03 -1.08 0.00 0.00 179.45 179.29 1j6y h SER 48 N -1.01 0.76 -0.32 0.86 0.87 -1.64 -2.56 113.55 110.50 1j6y h SER 48 Ca -0.09 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1j6y h SER 48 Cb 0.67 -0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1j6y h SER 48 CO 0.15 0.55 -0.48 0.40 -0.53 0.00 0.00 176.83 176.91 1j6y h ILE 49 N 0.90 0.07 -0.88 2.23 1.08 -1.36 2.10 117.51 121.64 1j6y h ILE 49 Ca 0.26 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.94 1j6y h ILE 49 Cb -0.06 0.07 -0.13 0.00 -3.07 0.00 0.00 36.82 33.63 1j6y h ILE 49 CO -0.06 0.00 0.35 0.08 -0.69 0.00 0.00 178.15 177.83 1j6y h ARG 50 N -0.41 0.34 0.51 2.37 0.11 -0.98 1.93 114.38 118.25 1j6y h ARG 50 Ca 0.09 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.13 1j6y h ARG 50 Cb 0.61 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1j6y h ARG 50 CO -0.54 0.23 -0.24 1.49 0.10 0.00 0.00 179.97 181.01 1j6y h GLU 51 N 0.35 -0.66 -0.78 0.08 4.57 0.21 0.61 114.58 118.97 1j6y h GLU 51 Ca 0.55 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.95 1j6y h GLU 51 Cb 1.05 0.15 -0.13 0.00 -0.16 0.00 0.00 28.75 29.66 1j6y h GLU 51 CO -0.55 -0.44 0.12 0.22 -1.18 0.00 0.00 179.01 177.19 1j6y h ASP 52 N -0.95 -0.13 -0.01 1.04 1.82 0.42 2.72 116.42 121.34 1j6y h ASP 52 Ca -0.07 0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1j6y h ASP 52 Cb 0.52 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1j6y h ASP 52 CO 0.11 -0.12 -0.07 0.40 -1.61 0.00 0.00 179.24 177.95 1j6y h ILE 53 N 0.19 1.13 0.26 2.25 1.08 0.31 -3.05 117.51 119.68 1j6y h ILE 53 Ca 0.45 -0.56 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1j6y h ILE 53 Cb 0.81 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1j6y h ILE 53 CO -0.61 0.18 -0.13 0.58 -0.69 0.00 0.00 178.15 177.49 1j6y h VAL 54 N 0.19 0.00 -2.89 1.67 2.07 0.99 -3.45 116.25 114.84 1j6y h VAL 54 Ca 0.04 -0.43 -0.63 0.00 0.82 0.00 0.00 66.70 66.50 1j6y h VAL 54 Cb 0.25 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.95 1j6y h VAL 54 CO 0.01 0.00 -0.35 -0.44 0.02 0.00 0.00 177.57 176.81 1j6y s SER 55 N -4.22 6.55 0.00 0.57 0.01 0.44 -4.87 113.70 112.18 1j6y s SER 55 Ca -0.05 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1j6y s SER 55 Cb 0.01 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1j6y s SER 55 CO 0.15 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1j6y n GLY 56 N 2.16 -0.71 2.59 3.44 0.00 -1.26 -4.35 105.19 107.05 1j6y n GLY 56 Ca -0.16 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 1.76 0.94 0.14 1.61 3.00 -1.26 -4.47 118.16 119.89 1j6y n LYS 57 Ca 0.00 -0.72 0.09 0.00 -0.00 0.00 0.00 58.31 57.68 1j6y n LYS 57 Cb 0.00 -1.99 0.50 0.00 0.00 0.00 0.00 35.03 33.54 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 3.79 1.03 -0.31 3.14 0.00 -1.26 -4.93 120.51 121.97 1j6y n ALA 58 Ca 0.20 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1j6y n ALA 58 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1j6y n ALA 58 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j6y n ASN 59 N -2.15 0.00 0.00 0.00 4.05 -1.26 -4.88 115.26 111.02 1j6y n ASN 59 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1j6y n ASN 59 Cb 0.03 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.04 1j6y n ASN 59 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1j6y n PHE 60 N 10.05 -0.24 0.00 1.20 -0.00 -1.26 -4.99 117.46 122.21 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 0.05 0.00 0.00 -0.00 0.00 0.00 39.48 39.53 1j6y n PHE 60 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1j6y n GLU 61 N -1.49 0.00 -0.32 -4.13 0.28 -1.26 0.05 120.64 113.77 1j6y n GLU 61 Ca 0.00 0.04 0.11 0.00 -0.16 0.00 0.00 57.16 57.15 1j6y n GLU 61 Cb 0.00 -0.57 0.23 0.00 1.43 0.00 0.00 31.44 32.53 1j6y n GLU 61 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1j6y n GLU 62 N -0.11 -0.08 -0.33 3.44 0.00 -1.26 0.26 120.64 122.56 1j6y n GLU 62 Ca 0.00 1.38 0.10 0.00 0.00 0.00 0.00 57.16 58.65 1j6y n GLU 62 Cb 0.00 -2.16 0.31 0.00 0.00 0.00 0.00 31.44 29.59 1j6y n GLU 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1j6y h VAL 63 N 0.00 0.83 0.35 6.31 2.07 -1.86 -2.52 116.25 121.43 1j6y h VAL 63 Ca 0.52 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1j6y h VAL 63 Cb 1.02 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1j6y h VAL 63 CO -0.88 0.15 -0.17 0.00 0.02 0.00 0.00 177.57 176.70 1j6y h ALA 64 N 1.59 -0.47 -1.44 1.67 0.00 0.75 -2.46 119.26 118.90 1j6y h ALA 64 Ca 0.51 -0.17 0.42 0.00 0.00 0.00 0.00 54.91 55.67 1j6y h ALA 64 Cb 0.69 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1j6y h ALA 64 CO -0.28 -0.49 1.23 0.25 0.00 0.00 0.00 179.25 179.96 1j6y n THR 65 N -5.10 0.00 -0.01 0.00 -2.24 -0.57 -2.35 114.28 104.01 1j6y n THR 65 Ca -0.08 1.27 -0.01 0.00 -2.27 0.00 0.00 64.05 62.96 1j6y n THR 65 Cb 0.25 -2.19 -0.00 0.00 -2.10 0.00 0.00 70.33 66.29 1j6y n THR 65 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1j6y n ARG 66 N -3.46 0.07 -1.43 -0.78 3.00 -1.10 -4.16 116.66 108.80 1j6y n ARG 66 Ca 0.32 0.14 -0.40 0.00 -0.00 0.00 0.00 57.85 57.92 1j6y n ARG 66 Cb 1.66 -0.74 -0.02 0.00 0.00 0.00 0.00 32.46 33.36 1j6y n ARG 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1j6y n VAL 67 N -2.69 4.24 -4.53 5.15 3.14 -0.93 -4.84 118.33 117.87 1j6y n VAL 67 Ca -0.02 -2.78 -0.25 0.00 -2.96 0.00 0.00 64.34 58.33 1j6y n VAL 67 Cb 0.06 -2.58 -0.09 0.00 -1.06 0.00 0.00 33.84 30.17 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 2.22 2.84 -0.67 6.55 1.04 -1.06 0.39 113.70 125.01 1j6y s SER 68 Ca 0.65 -1.59 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 1j6y s SER 68 Cb 0.17 0.34 -0.12 0.00 0.10 0.00 0.00 66.02 66.52 1j6y s SER 68 CO -0.07 -0.83 1.86 -0.67 0.98 0.00 0.00 173.24 174.51 1j6y n ASP 69 N -1.13 3.04 0.00 7.02 2.03 -1.26 -4.58 116.55 121.67 1j6y n ASP 69 Ca -0.06 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1j6y n ASP 69 Cb 0.66 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 -1.28 -0.91 0.00 0.87 -1.95 2.44 113.55 112.72 1j6y h SER 71 Ca 0.00 0.26 0.25 0.00 -1.23 0.00 0.00 61.79 61.07 1j6y h SER 71 Cb 0.00 0.66 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1j6y h SER 71 CO 0.00 -0.30 0.64 0.77 -0.53 0.00 0.00 176.83 177.41 1j6y h SER 72 N -0.09 0.14 -0.98 6.23 4.64 -1.74 1.31 113.55 123.06 1j6y h SER 72 Ca 0.28 0.02 0.22 0.00 -0.47 0.00 0.00 61.79 61.84 1j6y h SER 72 Cb 0.57 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.57 1j6y h SER 72 CO -0.81 0.05 0.63 0.00 -0.87 0.00 0.00 176.83 175.82 1j6y h ALA 73 N 1.57 2.07 -0.01 5.18 0.00 0.40 2.98 119.26 131.46 1j6y h ALA 73 Ca 0.45 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1j6y h ALA 73 Cb 1.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1j6y h ALA 73 CO -0.07 -0.41 -0.63 -0.22 0.00 0.00 0.00 179.25 177.92 1j6y h LYS 74 N 0.50 0.04 -1.66 0.00 3.64 0.18 -3.23 116.57 116.04 1j6y h LYS 74 Ca 0.54 -0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 59.31 1j6y h LYS 74 Cb 1.20 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.61 1j6y h LYS 74 CO -0.27 0.65 -0.73 0.54 -2.27 0.00 0.00 179.45 177.37 1j6y n ARG 75 N -3.81 3.32 0.28 1.90 1.74 0.78 -4.83 116.66 116.05 1j6y n ARG 75 Ca -0.01 -4.54 0.16 0.00 -0.77 0.00 0.00 57.85 52.69 1j6y n ARG 75 Cb 0.62 -2.22 0.81 0.00 -1.02 0.00 0.00 32.46 30.66 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 2.67 0.00 0.00 -0.13 0.00 0.42 -3.36 103.07 102.67 1j6y h GLY 76 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1j6y h GLY 76 CO 0.83 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.98 1j6y n GLY 77 N -0.48 -1.98 3.68 4.60 0.00 -1.26 -4.29 105.19 105.46 1j6y n GLY 77 Ca -0.01 0.00 -0.10 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 -2.12 0.10 -0.15 1.61 -4.77 -1.26 -3.25 116.67 106.84 1j6y s ASP 78 Ca 0.00 -1.03 -0.25 0.00 -3.30 0.00 0.00 52.55 47.97 1j6y s ASP 78 Cb 0.00 0.70 -0.22 0.00 -1.09 0.00 0.00 42.92 42.31 1j6y s ASP 78 CO 0.00 -1.36 0.58 -0.07 0.70 0.00 0.00 175.17 175.02 1j6y h LEU 79 N 2.10 0.00 0.00 2.11 4.07 -1.67 -3.48 115.31 118.44 1j6y h LEU 79 Ca -0.27 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 56.89 1j6y h LEU 79 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1j6y h LEU 79 CO 0.35 1.05 0.00 0.61 -1.08 0.00 0.00 178.44 179.36 1j6y n GLY 80 N 1.59 1.97 3.27 0.83 0.00 -1.17 -4.99 105.19 106.68 1j6y n GLY 80 Ca -0.13 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.27 0.15 1.61 1.04 -1.26 -2.60 113.70 108.37 1j6y s SER 81 Ca 0.00 0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.46 1j6y s SER 81 Cb 0.00 0.42 0.08 0.00 0.10 0.00 0.00 66.02 66.62 1j6y s SER 81 CO 0.00 -0.39 1.07 0.72 0.98 0.00 0.00 173.24 175.61 1j6y s PHE 82 N -1.00 0.03 0.00 5.02 -0.71 -1.04 -4.92 117.98 115.36 1j6y s PHE 82 Ca -0.11 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.41 1j6y s PHE 82 Cb -0.04 0.67 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 1j6y s PHE 82 CO 0.04 -0.81 0.00 0.41 -1.34 0.00 0.00 175.22 173.52 1j6y n GLY 83 N -0.68 -0.47 3.51 1.99 0.00 -1.26 0.24 105.19 108.53 1j6y n GLY 83 Ca -0.03 0.58 -0.28 0.00 0.00 0.00 0.00 46.02 46.29 1j6y n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j6y n ARG 84 N 0.00 0.44 0.00 1.61 3.00 -1.26 -4.58 116.66 115.87 1j6y n ARG 84 Ca 0.00 -1.64 0.00 0.00 -0.01 0.00 0.00 57.85 56.20 1j6y n ARG 84 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 32.46 29.05 1j6y n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j6y n GLY 85 N 5.61 0.87 1.12 -0.13 0.00 -1.26 -5.15 105.19 106.24 1j6y n GLY 85 Ca 0.44 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.18 -2.66 1.61 1.13 -1.26 -4.55 117.38 109.47 1j6y n GLN 86 Ca 0.00 1.54 -0.16 0.00 -1.94 0.00 0.00 57.00 56.44 1j6y n GLN 86 Cb 0.00 -2.70 -0.03 0.00 0.11 0.00 0.00 30.24 27.61 1j6y n GLN 86 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1j6y n MET 87 N -3.43 -0.90 0.00 -1.09 2.81 -1.26 -4.47 117.12 108.77 1j6y n MET 87 Ca -0.01 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1j6y n MET 87 Cb 0.63 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.86 0.00 -0.06 0.03 3.00 -1.26 -3.69 117.38 113.53 1j6y n GLN 88 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1j6y n GLN 88 Cb 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.25 1j6y n GLN 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1j6y n LYS 89 N 0.00 0.68 0.00 -1.09 4.81 -1.26 -4.46 118.16 116.84 1j6y n LYS 89 Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1j6y n LYS 89 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1j6y n LYS 89 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1j6y n PRO 90 N -2.52 0.00 -0.29 1.64 -0.04 -1.25 -3.00 135.00 129.55 1j6y n PRO 90 Ca -0.19 0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1j6y n PRO 90 Cb 0.88 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 33.18 1j6y n PRO 90 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1j6y h PHE 91 N 0.00 -1.48 -0.69 0.54 3.04 -1.85 -1.58 116.94 114.91 1j6y h PHE 91 Ca 0.00 0.10 0.07 0.00 3.98 0.00 0.00 57.97 62.11 1j6y h PHE 91 Cb 0.00 0.74 -0.09 0.00 2.56 0.00 0.00 35.95 39.16 1j6y h PHE 91 CO 0.07 -0.32 -0.49 1.49 -2.02 0.00 0.00 178.31 177.04 1j6y h GLU 92 N -0.07 -0.11 0.00 1.11 4.22 -1.72 2.26 114.58 120.27 1j6y h GLU 92 Ca 0.11 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1j6y h GLU 92 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1j6y h GLU 92 CO -0.69 -0.07 0.38 1.49 -2.18 0.00 0.00 179.01 177.94 1j6y h GLU 93 N -0.11 0.00 0.17 1.92 4.57 -1.22 -0.56 114.58 119.34 1j6y h GLU 93 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1j6y h GLU 93 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1j6y h GLU 93 CO -0.71 0.00 -0.08 0.00 -1.18 0.00 0.00 179.01 177.04 1j6y h ALA 94 N 1.23 -0.23 0.00 2.92 0.00 0.46 -1.86 119.26 121.78 1j6y h ALA 94 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1j6y h ALA 94 Cb 0.76 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1j6y h ALA 94 CO 0.00 -0.27 -0.08 1.15 0.00 0.00 0.00 179.25 180.05 1j6y h THR 95 N -0.94 0.25 0.00 0.00 2.02 -0.57 -0.36 112.91 113.30 1j6y h THR 95 Ca -0.02 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1j6y h THR 95 Cb 0.47 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1j6y h THR 95 CO 0.04 0.07 -0.27 1.88 0.37 0.00 0.00 175.52 177.61 1j6y h TYR 96 N 0.00 0.00 0.03 3.16 0.05 -1.18 -3.35 116.97 115.68 1j6y h TYR 96 Ca -0.00 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.47 1j6y h TYR 96 Cb 0.46 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 1j6y h TYR 96 CO 0.00 0.13 -1.73 0.00 -1.05 0.00 0.00 178.16 175.50 1j6y n ALA 97 N -2.15 0.92 -2.72 3.88 0.00 -0.59 -4.96 120.51 114.90 1j6y n ALA 97 Ca 0.03 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 1j6y n ALA 97 Cb 0.59 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -7.53 4.08 0.36 0.00 0.20 -0.25 -5.09 118.68 110.45 1j6y s LEU 98 Ca -0.29 0.39 0.08 0.00 0.69 0.00 0.00 54.13 55.00 1j6y s LEU 98 Cb 0.08 -3.23 -0.07 0.00 -0.43 0.00 0.00 46.19 42.54 1j6y s LEU 98 CO 0.62 -0.24 -0.06 -0.75 -0.29 0.00 0.00 176.35 175.63 1j6y s LYS 99 N -4.20 1.83 0.52 1.98 2.20 -1.26 -4.73 119.74 116.08 1j6y s LYS 99 Ca 0.39 -1.98 0.28 0.00 -0.36 0.00 0.00 55.97 54.30 1j6y s LYS 99 Cb -0.10 -1.62 1.53 0.00 -1.51 0.00 0.00 37.83 36.13 1j6y s LYS 99 CO 0.34 0.07 1.84 -0.24 -0.36 0.00 0.00 175.35 177.00 1j6y h VAL 100 N 1.97 0.00 0.00 4.02 3.04 -1.94 0.18 116.25 123.52 1j6y h VAL 100 Ca -0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1j6y h VAL 100 Cb 1.25 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1j6y h VAL 100 CO 0.73 0.00 0.00 1.23 -1.01 0.00 0.00 177.57 178.52 1j6y h GLY 101 N 0.00 0.00 0.00 3.17 0.00 -2.00 -3.26 103.07 100.97 1j6y h GLY 101 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1j6y h GLY 101 CO 0.00 0.00 -1.40 1.22 0.00 0.00 0.00 176.54 176.36 1j6y n ASP 102 N -2.77 3.18 -2.02 0.19 9.92 0.55 -5.11 116.55 120.49 1j6y n ASP 102 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1j6y n ASP 102 Cb 0.38 1.19 0.00 0.00 -0.64 0.00 0.00 41.12 42.05 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 -1.90 -9.81 -1.30 0.53 5.41 -0.74 -4.51 119.36 107.03 1j6y n ILE 103 Ca -0.04 3.01 -0.60 0.00 1.00 0.00 0.00 62.75 66.12 1j6y n ILE 103 Cb 0.34 -4.46 -0.11 0.00 -0.71 0.00 0.00 39.64 34.70 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 1.34 0.90 0.24 4.38 2.88 -1.09 -4.82 113.62 117.46 1j6y n SER 104 Ca 0.00 0.70 -0.13 0.00 -1.33 0.00 0.00 58.87 58.11 1j6y n SER 104 Cb 0.00 -0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 62.46 1j6y n SER 104 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1j6y h ASP 105 N 8.95 -0.55 -2.05 -3.46 3.32 -1.88 -3.42 116.42 117.33 1j6y h ASP 105 Ca -0.14 -0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.61 1j6y h ASP 105 Cb 1.41 0.14 -0.32 0.00 0.22 0.00 0.00 39.33 40.79 1j6y h ASP 105 CO 1.08 -0.17 -0.55 0.27 -1.72 0.00 0.00 179.24 178.15 1j6y s ILE 106 N -4.43 -0.51 0.26 0.35 -4.36 -1.26 -3.89 121.20 107.36 1j6y s ILE 106 Ca -0.13 -0.20 0.01 0.00 -0.26 0.00 0.00 60.65 60.07 1j6y s ILE 106 Cb 0.02 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.84 1j6y s ILE 106 CO 0.45 -0.24 0.43 -0.69 0.24 0.00 0.00 174.94 175.13 1j6y s VAL 107 N 2.46 5.19 -0.25 8.37 1.01 -1.03 -4.99 120.40 131.17 1j6y s VAL 107 Ca 0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1j6y s VAL 107 Cb -0.15 -3.81 0.12 0.00 0.00 0.00 0.00 36.38 32.54 1j6y s VAL 107 CO -0.21 -0.34 0.52 1.51 0.00 0.00 0.00 175.10 176.58 1j6y s ASP 108 N -3.67 -0.66 0.00 3.32 -4.77 -1.26 -2.52 116.67 107.11 1j6y s ASP 108 Ca 0.38 1.18 0.00 0.00 -3.30 0.00 0.00 52.55 50.80 1j6y s ASP 108 Cb -0.10 1.77 0.00 0.00 -1.09 0.00 0.00 42.92 43.50 1j6y s ASP 108 CO 0.31 -0.23 0.00 0.35 0.70 0.00 0.00 175.17 176.30 1j6y n THR 109 N 5.42 0.00 -0.87 2.11 -2.24 0.12 -4.89 114.28 113.93 1j6y n THR 109 Ca -0.09 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1j6y n THR 109 Cb 0.49 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.81 1j6y n THR 109 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1j6y n ASP 110 N -0.66 -3.26 0.00 3.42 5.75 -1.26 -1.78 116.55 118.76 1j6y n ASP 110 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1j6y n ASP 110 Cb 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 1j6y n ASP 110 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1j6y n SER 111 N 1.26 0.00 0.00 -1.12 7.64 -1.26 -4.65 113.62 115.49 1j6y n SER 111 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1j6y n SER 111 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1j6y n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j6y n GLY 112 N 0.00 -0.59 3.66 0.23 0.00 -0.73 -4.42 105.19 103.34 1j6y n GLY 112 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.14 3.74 0.31 1.61 -7.23 -1.26 0.15 120.40 116.59 1j6y s VAL 113 Ca 0.00 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1j6y s VAL 113 Cb 0.00 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1j6y s VAL 113 CO 0.00 -0.07 0.14 -1.00 -0.31 0.00 0.00 175.10 173.86 1j6y s HIS 114 N -1.66 1.64 -0.12 2.82 4.02 -1.05 -2.30 115.29 118.65 1j6y s HIS 114 Ca 0.27 -1.32 -0.01 0.00 1.02 0.00 0.00 55.06 55.02 1j6y s HIS 114 Cb -0.10 -0.92 0.03 0.00 -1.02 0.00 0.00 32.58 30.58 1j6y s HIS 114 CO 0.18 -0.45 -0.03 0.96 1.02 0.00 0.00 174.74 176.43 1j6y s ILE 115 N -3.56 0.72 0.20 0.60 -4.36 -0.84 -2.45 121.20 111.52 1j6y s ILE 115 Ca 0.35 -0.22 0.06 0.00 -0.26 0.00 0.00 60.65 60.57 1j6y s ILE 115 Cb 0.05 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.84 1j6y s ILE 115 CO 0.17 0.21 0.19 -0.63 0.24 0.00 0.00 174.94 175.12 1j6y s ILE 116 N 1.82 4.63 0.36 8.37 1.01 -1.26 -1.62 121.20 134.50 1j6y s ILE 116 Ca 0.03 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.55 1j6y s ILE 116 Cb -0.13 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1j6y s ILE 116 CO -0.07 -0.22 0.08 0.29 0.00 0.00 0.00 174.94 175.02 1j6y n LYS 117 N -0.79 0.78 0.00 2.79 4.76 -1.13 -2.66 118.16 121.92 1j6y n LYS 117 Ca -0.08 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 1j6y n LYS 117 Cb 0.56 1.26 0.00 0.00 -1.84 0.00 0.00 35.03 35.01 1j6y n LYS 117 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1j6y n ARG 118 N -0.83 0.00 0.00 1.97 0.63 -1.26 -2.85 116.66 114.32 1j6y n ARG 118 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1j6y n ARG 118 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 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 0.00 0.00 -0.76 5.15 -1.04 -1.26 -4.88 114.28 111.48 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