#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 0.00 -0.41 0.00 -1.26 -5.13 117.12 110.33 1j6y n MET 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1j6y n MET 2 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 33.22 32.72 1j6y n MET 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1j6y n ALA 3 N -1.11 0.00 -4.01 -5.12 0.00 -1.26 -4.83 120.51 104.18 1j6y n ALA 3 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1j6y n ALA 3 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1j6y n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1j6y n SER 4 N 0.00 -2.61 0.00 0.00 7.64 -1.26 -4.93 113.62 112.46 1j6y n SER 4 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1j6y n SER 4 Cb 0.00 -2.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 1j6y n SER 4 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1j6y n ARG 5 N -4.64 1.83 -0.06 1.43 1.85 -1.26 -5.10 116.66 110.71 1j6y n ARG 5 Ca -0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.62 1j6y n ARG 5 Cb 0.62 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.02 1j6y n ARG 5 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1j6y n ASP 6 N 0.00 1.54 -1.19 2.89 -0.08 -1.26 -5.07 116.55 113.39 1j6y n ASP 6 Ca 0.00 0.59 0.14 0.00 -1.51 0.00 0.00 54.79 54.00 1j6y n ASP 6 Cb 0.00 -0.82 -0.05 0.00 2.34 0.00 0.00 41.12 42.59 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 -4.28 -2.29 -3.41 -0.67 7.27 -1.26 -4.89 117.38 107.85 1j6y n GLN 7 Ca -0.06 1.68 -0.13 0.00 0.07 0.00 0.00 57.00 58.56 1j6y n GLN 7 Cb 0.22 -2.86 -0.10 0.00 2.41 0.00 0.00 30.24 29.92 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 -3.03 -0.48 0.53 1.69 0.11 0.12 -4.97 120.40 114.38 1j6y s VAL 8 Ca 0.00 -0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.89 1j6y s VAL 8 Cb 0.00 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1j6y s VAL 8 CO 0.00 -0.17 0.85 -0.54 -3.33 0.00 0.00 175.10 171.91 1j6y s LYS 9 N 2.45 3.32 0.00 1.54 1.02 -1.26 -1.66 119.74 125.14 1j6y s LYS 9 Ca 0.10 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1j6y s LYS 9 Cb -0.15 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1j6y s LYS 9 CO -0.15 -0.42 0.00 0.00 -0.92 0.00 0.00 175.35 173.86 1j6y n ALA 10 N -2.42 0.00 -3.79 5.17 0.00 -1.10 -4.82 120.51 113.55 1j6y n ALA 10 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1j6y n ALA 10 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 2.02 -3.62 0.00 3.41 -1.02 0.03 113.62 114.45 1j6y n SER 11 Ca 0.00 -2.01 -0.04 0.00 -0.26 0.00 0.00 58.87 56.56 1j6y n SER 11 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1j6y n SER 11 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1j6y s HIS 12 N -1.49 -0.11 0.24 7.33 5.04 -1.20 -2.94 115.29 122.16 1j6y s HIS 12 Ca 0.14 0.14 0.02 0.00 -1.54 0.00 0.00 55.06 53.82 1j6y s HIS 12 Cb -0.01 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 33.07 1j6y s HIS 12 CO 0.09 -0.13 0.17 0.42 -2.34 0.00 0.00 174.74 172.95 1j6y s ILE 13 N -1.63 0.02 -0.26 0.89 1.01 -0.55 -4.69 121.20 115.99 1j6y s ILE 13 Ca 0.08 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.71 1j6y s ILE 13 Cb -0.01 -2.50 0.12 0.00 0.01 0.00 0.00 42.46 40.08 1j6y s ILE 13 CO -0.05 0.00 0.28 -0.22 0.00 0.00 0.00 174.94 174.95 1j6y s LEU 14 N -3.23 -0.22 1.16 2.97 2.96 0.21 -1.30 118.68 121.23 1j6y s LEU 14 Ca 0.39 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.59 1j6y s LEU 14 Cb 0.06 0.50 0.27 0.00 0.50 0.00 0.00 46.19 47.51 1j6y s LEU 14 CO 0.17 -0.37 1.06 -0.51 -1.32 0.00 0.00 176.35 175.38 1j6y s ILE 15 N 2.36 1.76 0.10 6.68 2.07 -0.83 -3.06 121.20 130.28 1j6y s ILE 15 Ca 0.09 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1j6y s ILE 15 Cb -0.15 -2.35 -0.04 0.00 0.13 0.00 0.00 42.46 40.05 1j6y s ILE 15 CO -0.26 0.00 0.26 -1.59 -1.91 0.00 0.00 174.94 171.44 1j6y s LYS 16 N -5.02 3.47 -0.00 3.50 -2.85 -1.26 -4.63 119.74 112.95 1j6y s LYS 16 Ca 0.68 -0.41 -0.06 0.00 -1.00 0.00 0.00 55.97 55.18 1j6y s LYS 16 Cb -0.16 -2.98 0.02 0.00 -2.06 0.00 0.00 37.83 32.65 1j6y s LYS 16 CO 0.59 0.55 0.27 -2.39 0.10 0.00 0.00 175.35 174.47 1j6y n HIS 17 N 0.02 -0.25 -2.08 1.78 1.44 -1.26 -4.74 115.22 110.14 1j6y n HIS 17 Ca -0.05 -0.16 -0.40 0.00 -2.01 0.00 0.00 57.72 55.10 1j6y n HIS 17 Cb 0.52 0.07 -0.00 0.00 0.12 0.00 0.00 29.99 30.70 1j6y n HIS 17 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j6y n GLN 18 N -0.19 4.67 -3.06 -1.40 10.64 -1.16 -4.77 117.38 122.12 1j6y n GLN 18 Ca 0.01 -3.62 -0.44 0.00 -1.83 0.00 0.00 57.00 51.12 1j6y n GLN 18 Cb 0.12 -2.59 -0.05 0.00 -0.86 0.00 0.00 30.24 26.86 1j6y n GLN 18 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1j6y s GLY 19 N 0.11 1.67 -0.76 2.61 0.00 -1.26 -4.52 107.32 105.17 1j6y s GLY 19 Ca 0.52 -1.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.34 1j6y s GLY 19 CO -0.11 1.67 0.67 1.44 0.00 0.00 0.00 173.10 176.77 1j6y n SER 20 N 6.62 -6.80 0.00 1.64 7.64 -1.26 -2.92 113.62 118.54 1j6y n SER 20 Ca -0.06 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1j6y n SER 20 Cb 0.44 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1j6y n SER 20 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1j6y n ARG 21 N -2.03 0.00 0.00 1.43 0.63 -1.26 -4.37 116.66 111.06 1j6y n ARG 21 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1j6y n ARG 21 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 1j6y n ARG 21 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1j6y n ARG 22 N 0.00 0.00 0.00 -0.14 1.74 -1.15 -4.85 116.66 112.26 1j6y n ARG 22 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j6y n ARG 22 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.00 0.00 -0.05 5.56 2.85 -1.26 -4.81 118.16 120.45 1j6y n LYS 23 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1j6y n LYS 23 Cb 0.00 0.00 0.44 0.00 -0.65 0.00 0.00 35.03 34.82 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 2.56 -1.63 0.58 0.00 -1.26 -5.02 120.51 112.73 1j6y n ALA 24 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1j6y n ALA 24 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1j6y n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j6y n SER 25 N -0.15 -8.81 -4.39 0.00 2.88 -1.26 -4.88 113.62 97.01 1j6y n SER 25 Ca 0.15 1.30 -0.28 0.00 -1.33 0.00 0.00 58.87 58.71 1j6y n SER 25 Cb 0.21 -4.97 0.27 0.00 -0.75 0.00 0.00 64.21 58.97 1j6y n SER 25 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1j6y s TRP 26 N -3.55 1.12 -0.14 0.66 -0.00 -1.26 -4.84 118.94 110.94 1j6y s TRP 26 Ca 0.00 1.12 -0.00 0.00 -0.00 0.00 0.00 56.10 57.22 1j6y s TRP 26 Cb 0.00 -3.05 0.12 0.00 -0.00 0.00 0.00 33.47 30.54 1j6y s TRP 26 CO 0.00 -4.14 1.76 1.17 -0.00 0.00 0.00 176.95 175.74 1j6y n LYS 27 N -5.10 1.35 0.00 5.86 4.81 -1.26 -4.55 118.16 119.26 1j6y n LYS 27 Ca 0.03 -0.72 0.00 0.00 -0.87 0.00 0.00 58.31 56.74 1j6y n LYS 27 Cb 0.55 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j6y n ASP 28 N 0.70 0.00 -4.59 3.14 9.92 -1.26 -5.09 116.55 119.37 1j6y n ASP 28 Ca 0.14 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.98 1j6y n ASP 28 Cb 0.61 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.06 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 0.00 3.26 0.00 -0.24 0.04 -1.26 -5.00 135.00 131.80 1j6y s PRO 29 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1j6y s PRO 29 Cb 0.00 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1j6y s PRO 29 CO 0.00 -1.96 0.00 0.39 0.04 0.00 0.00 177.00 175.47 1j6y n GLU 30 N 8.52 -0.11 -2.97 4.56 1.02 -1.26 -4.17 120.64 126.23 1j6y n GLU 30 Ca 0.19 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1j6y n GLU 30 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1j6y n GLU 30 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j6y s GLY 31 N -2.37 -1.13 0.00 0.62 0.00 -1.26 -4.98 107.32 98.20 1j6y s GLY 31 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1j6y s GLY 31 CO 0.00 4.32 0.00 0.28 0.00 0.00 0.00 173.10 177.70 1j6y n LYS 32 N 4.45 4.12 -3.17 2.90 5.02 -1.26 -4.87 118.16 125.35 1j6y n LYS 32 Ca 0.08 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 1j6y n LYS 32 Cb 0.61 -0.30 -0.05 0.00 -0.02 0.00 0.00 35.03 35.27 1j6y n LYS 32 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1j6y n ILE 33 N -0.59 1.18 0.03 -0.18 -6.64 -1.26 -4.87 119.36 107.04 1j6y n ILE 33 Ca 0.00 -4.89 0.00 0.00 -1.77 0.00 0.00 62.75 56.09 1j6y n ILE 33 Cb 0.00 -1.34 0.00 0.00 -1.44 0.00 0.00 39.64 36.86 1j6y n ILE 33 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 1j6y n ILE 34 N 0.49 0.63 -4.10 7.28 5.41 -1.26 -5.02 119.36 122.79 1j6y n ILE 34 Ca 0.27 0.21 -0.29 0.00 1.00 0.00 0.00 62.75 63.94 1j6y n ILE 34 Cb 0.50 -1.48 -0.04 0.00 -0.71 0.00 0.00 39.64 37.91 1j6y n ILE 34 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1j6y n LEU 35 N -3.26 -1.81 0.01 1.39 7.99 -1.26 -4.81 117.00 115.26 1j6y n LEU 35 Ca 0.00 -1.08 0.13 0.00 -0.01 0.00 0.00 56.01 55.05 1j6y n LEU 35 Cb 0.21 -2.03 0.44 0.00 -0.11 0.00 0.00 43.42 41.93 1j6y n LEU 35 CO 0.00 0.42 0.73 0.41 -1.51 0.00 0.00 177.39 177.44 1j6y n THR 36 N -4.44 0.06 -3.59 -5.08 -1.04 -1.26 -4.90 114.28 94.04 1j6y n THR 36 Ca -0.26 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 61.62 1j6y n THR 36 Cb 0.66 -0.21 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 1j6y n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1j6y s THR 37 N -3.02 0.00 0.00 12.58 2.01 -1.26 -5.02 115.64 120.93 1j6y s THR 37 Ca 0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1j6y s THR 37 Cb 0.18 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.69 1j6y s THR 37 CO 0.61 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.89 1j6y n THR 38 N 0.87 0.00 0.22 -0.82 -2.24 -1.26 -2.96 114.28 108.08 1j6y n THR 38 Ca -0.09 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1j6y n THR 38 Cb 0.58 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1j6y n THR 38 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1j6y h ARG 39 N 0.00 -0.71 0.54 -0.78 2.43 -1.93 1.05 114.38 114.98 1j6y h ARG 39 Ca -0.00 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1j6y h ARG 39 Cb 0.01 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1j6y h ARG 39 CO 0.01 -0.48 -0.26 1.49 -1.51 0.00 0.00 179.97 179.22 1j6y h GLU 40 N -0.74 -0.70 -0.80 0.20 4.81 -1.97 -2.76 114.58 112.62 1j6y h GLU 40 Ca -0.05 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1j6y h GLU 40 Cb 0.64 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.07 1j6y h GLU 40 CO -0.05 -0.43 0.32 0.00 -0.73 0.00 0.00 179.01 178.12 1j6y h ALA 41 N -0.38 1.17 -0.59 2.92 0.00 -1.93 -0.90 119.26 119.54 1j6y h ALA 41 Ca -0.07 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1j6y h ALA 41 Cb 0.59 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1j6y h ALA 41 CO 0.12 -0.26 -0.37 0.00 0.00 0.00 0.00 179.25 178.74 1j6y h ALA 42 N 1.61 -0.14 -0.89 0.00 0.00 0.15 0.76 119.26 120.73 1j6y h ALA 42 Ca 0.46 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.68 1j6y h ALA 42 Cb 0.77 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 1j6y h ALA 42 CO -0.46 -0.73 0.48 0.28 0.00 0.00 0.00 179.25 178.82 1j6y h VAL 43 N -0.19 0.71 0.78 0.00 2.07 -1.07 1.93 116.25 120.48 1j6y h VAL 43 Ca 0.21 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1j6y h VAL 43 Cb 0.56 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1j6y h VAL 43 CO -0.68 0.12 -0.38 -0.08 0.02 0.00 0.00 177.57 176.57 1j6y h GLU 44 N 0.65 -1.01 -0.87 1.57 4.81 0.56 0.77 114.58 121.07 1j6y h GLU 44 Ca 0.50 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.86 1j6y h GLU 44 Cb 0.74 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 1j6y h GLU 44 CO -0.38 -0.67 0.57 1.96 -0.73 0.00 0.00 179.01 179.76 1j6y h GLN 45 N -1.07 0.96 0.00 1.92 1.08 0.71 0.47 115.11 119.17 1j6y h GLN 45 Ca -0.11 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1j6y h GLN 45 Cb 0.81 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1j6y h GLN 45 CO 0.18 0.63 0.00 -0.11 -0.95 0.00 0.00 178.83 178.58 1j6y n LEU 46 N -4.48 0.68 0.10 1.46 7.94 0.64 -2.51 117.00 120.83 1j6y n LEU 46 Ca 0.13 0.65 -0.16 0.00 -1.11 0.00 0.00 56.01 55.52 1j6y n LEU 46 Cb 0.19 -0.54 -0.14 0.00 0.53 0.00 0.00 43.42 43.46 1j6y n LEU 46 CO 0.33 -0.51 -0.07 0.50 -1.11 0.00 0.00 177.39 176.53 1j6y h LYS 47 N 0.00 0.27 -0.11 1.96 1.63 0.54 -3.08 116.57 117.79 1j6y h LYS 47 Ca 0.00 -0.46 -0.14 0.00 -0.85 0.00 0.00 60.65 59.19 1j6y h LYS 47 Cb 0.41 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1j6y h LYS 47 CO 0.00 1.21 -0.56 0.77 -3.45 0.00 0.00 179.45 177.43 1j6y h SER 48 N 0.07 0.35 0.00 4.20 0.02 -1.17 -0.75 113.55 116.28 1j6y h SER 48 Ca -0.14 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1j6y h SER 48 Cb 1.98 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1j6y h SER 48 CO 0.20 0.84 -0.00 -0.29 -1.14 0.00 0.00 176.83 176.43 1j6y h ILE 49 N 0.24 1.25 0.00 3.27 -0.00 -1.59 1.71 117.51 122.40 1j6y h ILE 49 Ca 0.00 -0.75 -0.03 0.00 -0.00 0.00 0.00 64.86 64.08 1j6y h ILE 49 Cb 1.05 1.76 -0.00 0.00 -0.00 0.00 0.00 36.82 39.63 1j6y h ILE 49 CO 0.09 0.19 -0.16 0.08 -0.00 0.00 0.00 178.15 178.35 1j6y h ARG 50 N -0.32 0.00 0.06 2.19 -0.00 -1.52 0.45 114.38 115.24 1j6y h ARG 50 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1j6y h ARG 50 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 1j6y h ARG 50 CO 0.00 0.16 -0.03 1.49 -0.00 0.00 0.00 179.97 181.59 1j6y h GLU 51 N 0.00 -0.08 -0.34 0.08 4.57 -0.57 -0.78 114.58 117.45 1j6y h GLU 51 Ca -0.00 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1j6y h GLU 51 Cb 0.31 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 1j6y h GLU 51 CO 0.02 0.51 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.77 1j6y h ASP 52 N -0.81 -0.50 0.56 1.04 5.19 0.30 1.08 116.42 123.28 1j6y h ASP 52 Ca -0.01 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1j6y h ASP 52 Cb 0.63 0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1j6y h ASP 52 CO 0.01 -0.18 0.00 -0.38 -3.12 0.00 0.00 179.24 175.57 1j6y n ILE 53 N -5.33 0.94 -0.05 0.35 5.41 0.11 0.26 119.36 121.05 1j6y n ILE 53 Ca 0.01 0.31 -0.20 0.00 1.00 0.00 0.00 62.75 63.87 1j6y n ILE 53 Cb 0.24 -1.22 -0.13 0.00 -0.71 0.00 0.00 39.64 37.82 1j6y n ILE 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1j6y h VAL 54 N 0.00 1.18 0.00 1.39 2.07 0.24 -3.30 116.25 117.84 1j6y h VAL 54 Ca 0.00 -2.31 -0.30 0.00 0.82 0.00 0.00 66.70 64.90 1j6y h VAL 54 Cb 0.28 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 1j6y h VAL 54 CO 0.00 0.55 -2.04 -1.20 0.02 0.00 0.00 177.57 174.90 1j6y n SER 55 N -4.27 0.39 -3.54 0.57 7.64 0.19 -4.69 113.62 109.90 1j6y n SER 55 Ca -0.24 0.18 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 1j6y n SER 55 Cb 0.72 0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 64.41 1j6y n SER 55 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1j6y s GLY 56 N -5.24 1.57 -0.44 0.23 0.00 0.72 -5.00 107.32 99.17 1j6y s GLY 56 Ca -0.07 -2.68 -0.03 0.00 0.00 0.00 0.00 44.72 41.94 1j6y s GLY 56 CO 0.83 1.84 1.77 1.17 0.00 0.00 0.00 173.10 178.70 1j6y n LYS 57 N 2.91 1.25 0.00 2.90 4.81 -1.17 -3.68 118.16 125.19 1j6y n LYS 57 Ca 0.23 -0.92 0.00 0.00 -0.87 0.00 0.00 58.31 56.75 1j6y n LYS 57 Cb 0.42 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 3.90 0.00 -3.00 3.14 0.00 -1.26 -4.95 120.51 118.34 1j6y n ALA 58 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1j6y n ALA 58 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1j6y n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j6y n ASN 59 N -0.58 0.44 0.00 0.00 5.03 -1.26 -5.08 115.26 113.81 1j6y n ASN 59 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1j6y n ASN 59 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1j6y n ASN 59 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1j6y n PHE 60 N 0.00 0.00 0.00 3.10 -0.00 -1.26 -4.97 117.46 114.33 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 -0.27 0.00 -0.33 -4.13 -0.58 -1.26 -0.76 120.64 113.31 1j6y n GLU 61 Ca 0.00 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.98 1j6y n GLU 61 Cb 0.00 -0.71 0.47 0.00 -0.57 0.00 0.00 31.44 30.63 1j6y n GLU 61 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1j6y h GLU 62 N 0.00 0.23 -0.68 3.49 4.57 -1.97 2.19 114.58 122.42 1j6y h GLU 62 Ca 0.00 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.31 1j6y h GLU 62 Cb 0.00 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1j6y h GLU 62 CO 0.00 0.15 0.46 0.28 -1.18 0.00 0.00 179.01 178.73 1j6y h VAL 63 N 0.24 0.79 0.00 0.32 2.07 -1.92 -0.99 116.25 116.76 1j6y h VAL 63 Ca 0.74 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 68.15 1j6y h VAL 63 Cb 1.72 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1j6y h VAL 63 CO -0.65 0.06 -0.08 0.00 0.02 0.00 0.00 177.57 176.91 1j6y h ALA 64 N 1.67 0.00 -0.97 1.67 0.00 0.57 -1.40 119.26 120.80 1j6y h ALA 64 Ca 0.33 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.43 1j6y h ALA 64 Cb 0.87 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1j6y h ALA 64 CO -0.08 0.08 1.04 1.79 0.00 0.00 0.00 179.25 182.08 1j6y h THR 65 N -0.86 0.10 0.00 0.00 1.35 -1.07 -0.39 112.91 112.04 1j6y h THR 65 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 1j6y h THR 65 Cb 0.08 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.65 1j6y h THR 65 CO 0.00 0.00 -1.15 -1.14 -0.25 0.00 0.00 175.52 172.98 1j6y n ARG 66 N -3.44 0.53 -1.61 4.72 0.63 -0.39 -4.08 116.66 113.01 1j6y n ARG 66 Ca 0.21 0.48 -0.32 0.00 -0.92 0.00 0.00 57.85 57.31 1j6y n ARG 66 Cb 1.35 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 32.59 1j6y n ARG 66 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1j6y n VAL 67 N -4.47 3.42 -4.51 5.15 0.24 -0.35 -4.91 118.33 112.90 1j6y n VAL 67 Ca -0.25 -3.42 -0.24 0.00 -2.04 0.00 0.00 64.34 58.39 1j6y n VAL 67 Cb 0.55 -1.40 -0.10 0.00 -1.47 0.00 0.00 33.84 31.42 1j6y n VAL 67 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1j6y s SER 68 N -0.42 2.79 -0.83 -1.34 0.01 -0.30 0.64 113.70 114.26 1j6y s SER 68 Ca 0.55 -1.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.10 1j6y s SER 68 Cb 0.41 0.00 -0.15 0.00 0.21 0.00 0.00 66.02 66.49 1j6y s SER 68 CO -0.27 -0.65 2.38 -0.62 0.41 0.00 0.00 173.24 174.49 1j6y s ASP 69 N -3.57 3.79 0.00 2.44 2.15 -1.26 -4.04 116.67 116.18 1j6y s ASP 69 Ca 0.32 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1j6y s ASP 69 Cb 0.07 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1j6y s ASP 69 CO 0.15 -4.04 0.00 0.00 -0.17 0.00 0.00 175.17 171.11 1j6y h SER 71 N 0.00 -1.51 -0.95 0.00 0.87 -1.99 2.16 113.55 112.13 1j6y h SER 71 Ca 0.00 0.27 0.21 0.00 -1.23 0.00 0.00 61.79 61.03 1j6y h SER 71 Cb 0.00 0.72 -0.08 0.00 -0.44 0.00 0.00 62.40 62.60 1j6y h SER 71 CO 0.00 -0.31 0.61 0.28 -0.53 0.00 0.00 176.83 176.88 1j6y h SER 72 N -0.14 0.51 -0.81 6.23 0.02 0.11 1.57 113.55 121.03 1j6y h SER 72 Ca 0.22 0.06 0.24 0.00 -0.84 0.00 0.00 61.79 61.47 1j6y h SER 72 Cb 0.55 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1j6y h SER 72 CO -0.79 0.19 0.69 0.00 -1.14 0.00 0.00 176.83 175.78 1j6y h ALA 73 N 1.61 2.67 0.02 3.77 0.00 0.35 2.94 119.26 130.63 1j6y h ALA 73 Ca 0.51 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 55.11 1j6y h ALA 73 Cb 1.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1j6y h ALA 73 CO -0.24 -1.11 -1.57 -0.22 0.00 0.00 0.00 179.25 176.11 1j6y h LYS 74 N 0.00 0.05 -2.05 0.00 3.11 0.25 -3.35 116.57 114.57 1j6y h LYS 74 Ca 0.39 -0.08 -0.59 0.00 -2.81 0.00 0.00 60.65 57.55 1j6y h LYS 74 Cb 1.77 0.03 -0.42 0.00 -1.00 0.00 0.00 32.23 32.61 1j6y h LYS 74 CO -0.00 0.71 -0.64 0.54 -2.81 0.00 0.00 179.45 177.25 1j6y n ARG 75 N -3.18 3.33 0.05 1.90 5.12 0.72 -4.82 116.66 119.78 1j6y n ARG 75 Ca -0.15 -4.75 0.12 0.00 -1.93 0.00 0.00 57.85 51.15 1j6y n ARG 75 Cb 1.03 -2.25 0.49 0.00 -1.16 0.00 0.00 32.46 30.57 1j6y n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j6y n GLY 76 N -0.32 -1.45 0.00 -0.13 0.00 0.82 -4.39 105.19 99.72 1j6y n GLY 76 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1j6y n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6y n GLY 77 N 0.99 -1.61 3.63 -0.02 0.00 -1.26 -4.41 105.19 102.50 1j6y n GLY 77 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.28 -0.14 -0.09 1.61 -4.77 -1.26 -3.26 116.67 106.47 1j6y s ASP 78 Ca 0.00 -0.81 -0.20 0.00 -3.30 0.00 0.00 52.55 48.23 1j6y s ASP 78 Cb 0.00 0.61 -0.17 0.00 -1.09 0.00 0.00 42.92 42.27 1j6y s ASP 78 CO 0.00 -1.17 0.70 -0.07 0.70 0.00 0.00 175.17 175.33 1j6y h LEU 79 N 2.20 -0.07 0.00 2.11 4.07 -0.67 -3.47 115.31 119.48 1j6y h LEU 79 Ca -0.25 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.17 1j6y h LEU 79 Cb 1.25 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1j6y h LEU 79 CO 0.33 0.64 0.00 0.61 -1.08 0.00 0.00 178.44 178.94 1j6y n GLY 80 N 1.17 2.30 3.44 0.83 0.00 -0.88 -4.94 105.19 107.12 1j6y n GLY 80 Ca -0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.02 -0.71 0.00 1.61 1.04 -1.26 -2.70 113.70 108.66 1j6y s SER 81 Ca 0.00 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1j6y s SER 81 Cb 0.00 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.26 1j6y s SER 81 CO 0.00 -0.22 0.00 2.22 0.98 0.00 0.00 173.24 176.22 1j6y n PHE 82 N 4.43 0.00 0.00 5.02 -1.74 -0.67 -4.93 117.46 119.58 1j6y n PHE 82 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 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 -1.12 3.57 4.97 0.00 -1.26 0.13 105.19 111.48 1j6y n GLY 83 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 1j6y n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j6y s ARG 84 N 0.00 3.86 0.00 1.61 1.81 -1.26 -4.34 118.95 120.64 1j6y s ARG 84 Ca 0.00 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.62 1j6y s ARG 84 Cb 0.00 -3.28 0.00 0.00 -0.45 0.00 0.00 34.95 31.22 1j6y s ARG 84 CO 0.00 0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 1j6y n GLY 85 N 4.12 0.90 1.37 -3.53 0.00 -1.26 -4.94 105.19 101.85 1j6y n GLY 85 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.09 0.00 -4.25 1.61 6.02 -1.26 -5.06 117.38 112.35 1j6y n GLN 86 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1j6y n GLN 86 Cb 0.00 -0.18 -0.11 0.00 1.02 0.00 0.00 30.24 30.98 1j6y n GLN 86 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j6y s MET 87 N -1.54 3.63 0.00 -1.09 -1.94 -1.26 -5.07 119.30 112.03 1j6y s MET 87 Ca 0.00 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1j6y s MET 87 Cb 0.00 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.84 1j6y s MET 87 CO 0.00 0.36 0.00 1.04 -0.01 0.00 0.00 175.02 176.41 1j6y n GLN 88 N 3.21 1.79 0.15 2.03 6.02 -1.26 -4.45 117.38 124.87 1j6y n GLN 88 Ca -0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.89 1j6y n GLN 88 Cb 0.53 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.85 1j6y n GLN 88 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1j6y h LYS 89 N 0.00 0.00 0.23 -1.09 2.10 -1.99 -3.13 116.57 112.69 1j6y h LYS 89 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1j6y h LYS 89 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1j6y h LYS 89 CO 0.00 0.22 -0.11 -1.00 -2.00 0.00 0.00 179.45 176.56 1j6y h PRO 90 N 0.00 -0.30 0.61 0.07 0.13 -1.99 -3.00 132.00 127.52 1j6y h PRO 90 Ca -0.02 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1j6y h PRO 90 Cb 1.21 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1j6y h PRO 90 CO 0.03 -0.12 -0.30 0.35 -0.23 0.00 0.00 178.00 177.73 1j6y h PHE 91 N -1.05 -0.78 -0.02 1.56 3.04 -1.90 -2.89 116.94 114.89 1j6y h PHE 91 Ca -0.03 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1j6y h PHE 91 Cb 0.32 0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1j6y h PHE 91 CO 0.02 -0.48 -0.01 1.49 -2.02 0.00 0.00 178.31 177.31 1j6y h GLU 92 N -0.83 -0.00 -1.22 1.11 4.81 -1.69 1.52 114.58 118.27 1j6y h GLU 92 Ca -0.08 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 59.50 1j6y h GLU 92 Cb 0.64 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1j6y h GLU 92 CO 0.13 -0.00 1.06 1.05 -0.73 0.00 0.00 179.01 180.52 1j6y h GLU 93 N -0.00 0.00 0.60 1.92 4.11 -1.55 0.37 114.58 120.03 1j6y h GLU 93 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1j6y h GLU 93 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1j6y h GLU 93 CO -0.02 0.00 -0.29 0.00 0.07 0.00 0.00 179.01 178.77 1j6y h ALA 94 N 1.02 -0.80 0.00 1.06 0.00 0.23 0.64 119.26 121.41 1j6y h ALA 94 Ca 0.58 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1j6y h ALA 94 Cb 2.69 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.78 1j6y h ALA 94 CO -0.01 -0.79 -0.35 1.15 0.00 0.00 0.00 179.25 179.25 1j6y h THR 95 N -1.13 1.13 0.00 0.00 2.02 -0.04 -1.00 112.91 113.89 1j6y h THR 95 Ca -0.08 -1.25 -0.12 0.00 0.77 0.00 0.00 66.41 65.72 1j6y h THR 95 Cb 0.66 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1j6y h THR 95 CO 0.13 0.34 -0.57 1.88 0.37 0.00 0.00 175.52 177.67 1j6y h TYR 96 N 0.00 0.00 0.00 3.16 -1.99 -0.33 -3.16 116.97 114.64 1j6y h TYR 96 Ca -0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.55 1j6y h TYR 96 Cb 0.67 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.37 1j6y h TYR 96 CO 0.00 0.57 -1.00 0.00 -0.00 0.00 0.00 178.16 177.74 1j6y h ALA 97 N 1.43 0.59 -1.56 3.88 0.00 0.99 -3.47 119.26 121.12 1j6y h ALA 97 Ca -0.01 -0.80 -0.46 0.00 0.00 0.00 0.00 54.91 53.65 1j6y h ALA 97 Cb 1.24 0.05 0.13 0.00 0.00 0.00 0.00 17.79 19.20 1j6y h ALA 97 CO 0.07 0.99 0.26 -1.17 0.00 0.00 0.00 179.25 179.41 1j6y s LEU 98 N -6.33 2.85 -0.33 0.00 2.96 -0.44 -5.06 118.68 112.32 1j6y s LEU 98 Ca 0.01 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1j6y s LEU 98 Cb 0.09 -1.98 0.32 0.00 0.50 0.00 0.00 46.19 45.11 1j6y s LEU 98 CO 0.79 -2.38 1.37 2.29 -1.32 0.00 0.00 176.35 177.11 1j6y n LYS 99 N -3.33 0.16 -1.74 1.98 2.85 -1.26 -4.94 118.16 111.88 1j6y n LYS 99 Ca 0.16 -0.72 -0.16 0.00 -1.05 0.00 0.00 58.31 56.54 1j6y n LYS 99 Cb 0.60 -0.18 -0.05 0.00 -0.65 0.00 0.00 35.03 34.75 1j6y n LYS 99 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1j6y n VAL 100 N 0.67 -0.22 -0.01 0.58 0.31 -1.20 -4.73 118.33 113.72 1j6y n VAL 100 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1j6y n VAL 100 Cb 0.75 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 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 -0.46 -0.20 1.86 2.92 0.00 -1.26 -4.69 105.19 103.34 1j6y n GLY 101 Ca -0.16 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.91 0.41 -1.07 1.61 9.92 -1.26 -5.06 116.55 119.20 1j6y n ASP 102 Ca -0.04 -2.23 -0.03 0.00 -0.53 0.00 0.00 54.79 51.96 1j6y n ASP 102 Cb 0.38 0.75 0.18 0.00 -0.64 0.00 0.00 41.12 41.79 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 -0.45 2.43 -2.56 0.53 5.41 -1.26 -4.66 119.36 118.80 1j6y n ILE 103 Ca 0.00 -3.19 -0.03 0.00 1.00 0.00 0.00 62.75 60.53 1j6y n ILE 103 Cb 0.34 -0.42 -0.03 0.00 -0.71 0.00 0.00 39.64 38.83 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 -1.06 -3.58 -3.04 4.38 2.88 -1.25 -4.40 113.62 107.55 1j6y n SER 104 Ca 0.29 1.44 -0.02 0.00 -1.33 0.00 0.00 58.87 59.25 1j6y n SER 104 Cb 0.87 -4.68 0.02 0.00 -0.75 0.00 0.00 64.21 59.67 1j6y n SER 104 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1j6y n ASP 105 N 1.87 -1.68 -4.54 -3.46 5.68 -1.26 -4.55 116.55 108.62 1j6y n ASP 105 Ca -0.25 -0.07 -0.42 0.00 -0.50 0.00 0.00 54.79 53.56 1j6y n ASP 105 Cb 0.38 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.23 1j6y n ASP 105 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1j6y n ILE 106 N -2.97 0.12 -2.76 2.12 -0.00 -1.26 -4.80 119.36 109.81 1j6y n ILE 106 Ca 0.01 -0.52 -0.43 0.00 -0.00 0.00 0.00 62.75 61.80 1j6y n ILE 106 Cb 0.05 -2.33 -0.00 0.00 -0.00 0.00 0.00 39.64 37.35 1j6y n ILE 106 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1j6y s VAL 107 N 9.69 4.55 -0.42 7.28 1.01 -0.85 -4.91 120.40 136.75 1j6y s VAL 107 Ca 1.04 -2.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1j6y s VAL 107 Cb -0.44 -5.06 0.02 0.00 0.00 0.00 0.00 36.38 30.90 1j6y s VAL 107 CO 0.35 -1.83 0.68 1.51 0.00 0.00 0.00 175.10 175.82 1j6y s ASP 108 N 3.58 6.38 0.00 3.32 -4.77 -1.26 0.71 116.67 124.63 1j6y s ASP 108 Ca 0.48 -0.13 0.00 0.00 -3.30 0.00 0.00 52.55 49.60 1j6y s ASP 108 Cb 0.01 -2.34 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 1j6y s ASP 108 CO 0.04 -0.77 0.00 1.07 0.70 0.00 0.00 175.17 176.21 1j6y n THR 109 N 5.86 0.00 -1.13 2.11 5.66 0.22 -4.94 114.28 122.07 1j6y n THR 109 Ca -0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1j6y n THR 109 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1j6y n THR 109 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1j6y n ASP 110 N 0.00 -2.85 0.00 1.09 -0.08 -1.26 -1.12 116.55 112.32 1j6y n ASP 110 Ca 0.00 0.66 0.00 0.00 -1.51 0.00 0.00 54.79 53.94 1j6y n ASP 110 Cb 0.00 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1j6y n ASP 110 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1j6y n SER 111 N 2.14 0.00 0.00 1.67 7.64 -1.26 -4.62 113.62 119.18 1j6y n SER 111 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1j6y n SER 111 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.56 3.55 0.23 0.00 -0.28 -4.74 105.19 103.39 1j6y n GLY 112 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.67 4.40 0.53 1.61 -7.23 -1.26 0.73 120.40 118.51 1j6y s VAL 113 Ca 0.00 -0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1j6y s VAL 113 Cb 0.00 -2.98 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1j6y s VAL 113 CO 0.00 0.45 0.06 1.41 -0.31 0.00 0.00 175.10 176.70 1j6y n HIS 114 N 3.82 0.98 -3.54 2.82 -0.00 0.22 -1.97 115.22 117.56 1j6y n HIS 114 Ca -0.17 -2.58 -0.23 0.00 -0.00 0.00 0.00 57.72 54.74 1j6y n HIS 114 Cb 0.52 -0.37 -0.15 0.00 -0.00 0.00 0.00 29.99 30.00 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 -2.90 -0.19 0.16 1.59 -4.36 -0.42 -2.01 121.20 113.07 1j6y s ILE 115 Ca 0.04 -0.25 -0.10 0.00 -0.26 0.00 0.00 60.65 60.07 1j6y s ILE 115 Cb -0.00 -0.70 -0.07 0.00 1.25 0.00 0.00 42.46 42.94 1j6y s ILE 115 CO 0.03 -0.33 0.49 -0.63 0.24 0.00 0.00 174.94 174.74 1j6y s ILE 116 N 2.22 4.97 -0.25 8.37 1.01 -1.26 -1.48 121.20 134.78 1j6y s ILE 116 Ca 0.05 0.52 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 1j6y s ILE 116 Cb -0.16 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.74 1j6y s ILE 116 CO -0.16 0.12 0.12 -0.75 0.00 0.00 0.00 174.94 174.26 1j6y s LYS 117 N -2.34 0.14 -0.47 2.79 2.20 -1.15 -3.82 119.74 117.09 1j6y s LYS 117 Ca 0.41 -0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.54 1j6y s LYS 117 Cb -0.13 -1.40 0.11 0.00 -1.51 0.00 0.00 37.83 34.89 1j6y s LYS 117 CO 0.20 -0.89 0.36 0.50 -0.36 0.00 0.00 175.35 175.17 1j6y s ARG 118 N 2.12 2.68 -0.22 4.03 6.06 -1.26 -2.42 118.95 129.92 1j6y s ARG 118 Ca 0.06 -1.63 -0.02 0.00 -2.50 0.00 0.00 55.73 51.65 1j6y s ARG 118 Cb -0.16 -3.99 0.02 0.00 0.06 0.00 0.00 34.95 30.87 1j6y s ARG 118 CO -0.27 -1.15 0.04 0.25 -2.50 0.00 0.00 175.30 171.68 1j6y n THR 119 N 5.02 -0.06 0.05 4.11 -2.24 -1.26 -3.27 114.28 116.62 1j6y n THR 119 Ca -0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 1j6y n THR 119 Cb 0.41 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.44 1j6y n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50