#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j s GLU 10 N 0.00 0.41 0.00 0.00 -1.05 -1.26 -5.10 118.70 111.70 3h1j s GLU 10 Ca 0.00 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3h1j s GLU 10 Cb 0.00 -1.43 0.00 0.00 -0.44 0.00 0.00 34.13 32.26 3h1j s GLU 10 CO 0.00 -1.04 0.00 0.39 0.95 0.00 0.00 175.26 175.56 3h1j n GLU 11 N 4.92 0.93 0.00 -4.83 4.71 -1.26 -5.18 120.64 119.94 3h1j n GLU 11 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 3h1j n GLU 11 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 3h1j n GLU 11 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3h1j n GLU 12 N 0.00 0.00 -1.73 3.49 2.13 -1.26 -5.13 120.64 118.14 3h1j n GLU 12 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 3h1j n GLU 12 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3h1j n GLU 12 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3h1j s LEU 13 N 0.00 4.41 -0.08 4.31 2.96 -1.26 -4.98 118.68 124.04 3h1j s LEU 13 Ca 0.00 2.68 -0.02 0.00 -0.22 0.00 0.00 54.13 56.56 3h1j s LEU 13 Cb 0.00 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.18 3h1j s LEU 13 CO 0.00 -1.01 0.05 -0.69 -1.32 0.00 0.00 176.35 173.38 3h1j s VAL 14 N 3.48 0.05 -0.30 1.68 1.01 -1.26 -5.10 120.40 119.96 3h1j s VAL 14 Ca 0.83 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 3h1j s VAL 14 Cb -0.44 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3h1j s VAL 14 CO 0.38 0.10 1.82 -0.62 0.00 0.00 0.00 175.10 176.78 3h1j s ASP 15 N 2.10 5.92 0.51 3.32 3.68 -1.26 -4.82 116.67 126.12 3h1j s ASP 15 Ca 0.04 1.41 0.13 0.00 2.13 0.00 0.00 52.55 56.26 3h1j s ASP 15 Cb -0.13 -2.53 0.73 0.00 -1.45 0.00 0.00 42.92 39.54 3h1j s ASP 15 CO -0.05 -1.67 1.34 1.55 0.13 0.00 0.00 175.17 176.47 3h1j h PRO 16 N 12.80 0.00 -0.36 4.34 0.13 -1.96 0.59 132.00 147.54 3h1j h PRO 16 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3h1j h PRO 16 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3h1j h PRO 16 CO 1.02 0.00 0.24 1.25 -0.23 0.00 0.00 178.00 180.28 3h1j h LEU 17 N 0.00 0.42 -0.11 1.56 5.85 -1.93 -1.29 115.31 119.81 3h1j h LEU 17 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3h1j h LEU 17 Cb 1.09 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3h1j h LEU 17 CO 0.00 0.30 -0.20 0.71 -0.34 0.00 0.00 178.44 178.91 3h1j h THR 18 N 0.49 1.39 -0.68 1.05 1.35 -1.27 -0.00 112.91 115.23 3h1j h THR 18 Ca 0.13 -1.47 0.15 0.00 -0.55 0.00 0.00 66.41 64.66 3h1j h THR 18 Cb -0.05 2.09 -0.12 0.00 -1.73 0.00 0.00 68.15 68.34 3h1j h THR 18 CO -0.03 0.43 0.02 0.74 -0.25 0.00 0.00 175.52 176.43 3h1j h THR 19 N -0.11 0.44 0.08 6.82 2.02 -1.48 -0.72 112.91 119.96 3h1j h THR 19 Ca 0.01 -0.04 -0.25 0.00 0.77 0.00 0.00 66.41 66.89 3h1j h THR 19 Cb 0.78 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3h1j h THR 19 CO 0.05 0.02 -1.16 0.40 0.37 0.00 0.00 175.52 175.20 3h1j h ILE 20 N 0.13 1.57 -0.15 3.11 2.04 -1.24 -2.91 117.51 120.06 3h1j h ILE 20 Ca 0.37 -3.19 -0.01 0.00 1.00 0.00 0.00 64.86 63.02 3h1j h ILE 20 Cb 0.61 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3h1j h ILE 20 CO -0.58 0.92 0.05 0.03 0.00 0.00 0.00 178.15 178.57 3h1j h ARG 21 N 0.05 0.21 0.49 2.37 3.08 -0.03 0.59 114.38 121.14 3h1j h ARG 21 Ca -0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3h1j h ARG 21 Cb 1.90 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.91 3h1j h ARG 21 CO 0.18 0.19 -0.23 0.93 -1.07 0.00 0.00 179.97 179.96 3h1j h GLU 22 N 0.21 -0.63 -0.91 0.04 5.08 -1.16 -2.54 114.58 114.66 3h1j h GLU 22 Ca 0.05 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.71 3h1j h GLU 22 Cb 0.07 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.32 3h1j h GLU 22 CO -0.00 -0.41 0.30 1.25 -1.00 0.00 0.00 179.01 179.15 3h1j h HIS 23 N -1.17 0.46 -0.24 4.33 -0.00 -1.28 1.00 115.15 118.26 3h1j h HIS 23 Ca -0.07 0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.26 3h1j h HIS 23 Cb 0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 3h1j h HIS 23 CO 0.00 -0.22 -0.26 0.00 -0.00 0.00 0.00 177.93 177.46 3h1j n GLU 25 N -4.12 0.06 0.00 0.00 1.02 0.34 -0.69 120.64 117.25 3h1j n GLU 25 Ca -0.00 0.36 0.15 0.00 -0.02 0.00 0.00 57.16 57.64 3h1j n GLU 25 Cb 0.41 -1.63 0.66 0.00 -0.02 0.00 0.00 31.44 30.85 3h1j n GLU 25 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3h1j n GLN 26 N -1.75 1.20 -2.47 3.49 -0.06 -1.05 -3.75 117.38 112.98 3h1j n GLN 26 Ca 0.02 -0.49 -0.36 0.00 -2.00 0.00 0.00 57.00 54.18 3h1j n GLN 26 Cb 0.15 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 24.81 3h1j n GLN 26 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3h1j s THR 27 N -2.14 3.60 0.02 1.69 2.01 0.13 -4.87 115.64 116.08 3h1j s THR 27 Ca 0.38 1.13 -0.04 0.00 0.31 0.00 0.00 61.69 63.47 3h1j s THR 27 Cb 0.21 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 3h1j s THR 27 CO 0.39 -0.08 1.01 1.21 -0.69 0.00 0.00 174.62 176.45 3h1j n GLU 28 N -0.51 -0.06 -0.07 4.92 4.07 -1.26 -1.32 120.64 126.42 3h1j n GLU 28 Ca 0.07 1.00 -0.08 0.00 -0.06 0.00 0.00 57.16 58.10 3h1j n GLU 28 Cb 0.50 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.37 3h1j n GLU 28 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3h1j h LYS 29 N 0.00 -0.22 0.15 5.31 1.57 -1.94 -2.73 116.57 118.72 3h1j h LYS 29 Ca 0.02 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3h1j h LYS 29 Cb 0.05 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3h1j h LYS 29 CO -0.12 -0.14 -0.38 0.00 -0.57 0.00 0.00 179.45 178.23 3h1j h VAL 31 N -0.63 0.15 -0.45 0.00 2.07 -0.99 3.02 116.25 119.41 3h1j h VAL 31 Ca 0.02 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 3h1j h VAL 31 Cb 0.65 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3h1j h VAL 31 CO -0.20 0.00 -0.15 0.11 0.02 0.00 0.00 177.57 177.35 3h1j h LYS 32 N -0.07 0.85 -0.09 1.57 1.79 -1.19 0.96 116.57 120.39 3h1j h LYS 32 Ca 0.31 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3h1j h LYS 32 Cb 0.57 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3h1j h LYS 32 CO -0.80 0.94 -0.01 0.00 -1.08 0.00 0.00 179.45 178.51 3h1j h ALA 33 N 1.07 0.12 -0.60 3.86 0.00 0.14 0.11 119.26 123.96 3h1j h ALA 33 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3h1j h ALA 33 Cb 0.66 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3h1j h ALA 33 CO 0.05 -0.18 0.27 -0.09 0.00 0.00 0.00 179.25 179.30 3h1j h ARG 34 N -0.13 0.48 -0.09 0.00 9.65 0.54 0.70 114.38 125.53 3h1j h ARG 34 Ca 0.02 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3h1j h ARG 34 Cb 0.38 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3h1j h ARG 34 CO 0.01 0.32 0.04 1.49 2.80 0.00 0.00 179.97 184.62 3h1j h GLU 35 N 0.49 0.13 -0.01 0.20 4.81 -0.61 0.41 114.58 119.99 3h1j h GLU 35 Ca 0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3h1j h GLU 35 Cb 0.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3h1j h GLU 35 CO -0.24 0.21 0.01 0.00 -0.73 0.00 0.00 179.01 178.26 3h1j h ARG 36 N 0.01 0.00 0.01 1.92 3.08 -0.13 -1.67 114.38 117.60 3h1j h ARG 36 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3h1j h ARG 36 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3h1j h ARG 36 CO -0.00 0.00 -0.00 1.25 -1.07 0.00 0.00 179.97 180.14 3h1j h LEU 37 N 0.00 -0.01 -0.72 3.04 5.85 -0.09 -3.03 115.31 120.36 3h1j h LEU 37 Ca 0.01 -0.85 0.16 0.00 0.84 0.00 0.00 57.88 58.03 3h1j h LEU 37 Cb 0.03 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 3h1j h LEU 37 CO -0.00 0.88 0.13 -0.33 -0.34 0.00 0.00 178.44 178.78 3h1j h GLU 38 N -0.92 0.22 -0.36 1.25 4.39 -0.48 0.11 114.58 118.79 3h1j h GLU 38 Ca -0.00 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.74 3h1j h GLU 38 Cb 0.86 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 3h1j h GLU 38 CO 0.00 0.15 0.08 -0.07 -1.16 0.00 0.00 179.01 178.01 3h1j h LEU 39 N 0.23 0.03 0.98 1.33 3.38 -1.40 0.29 115.31 120.14 3h1j h LEU 39 Ca 0.40 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 3h1j h LEU 39 Cb 0.68 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.51 3h1j h LEU 39 CO -0.53 0.05 -0.47 0.00 0.09 0.00 0.00 178.44 177.59 3h1j h ASP 41 N -1.34 -1.46 -0.19 0.00 3.58 -0.66 -0.43 116.42 115.93 3h1j h ASP 41 Ca -0.13 0.29 0.03 0.00 0.42 0.00 0.00 57.03 57.64 3h1j h ASP 41 Cb 1.01 0.74 -0.05 0.00 1.72 0.00 0.00 39.33 42.74 3h1j h ASP 41 CO 0.22 -0.29 -0.41 0.00 -2.88 0.00 0.00 179.24 175.88 3h1j h ALA 42 N 1.19 -0.72 -0.11 -0.78 0.00 -0.83 0.49 119.26 118.50 3h1j h ALA 42 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3h1j h ALA 42 Cb 0.57 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3h1j h ALA 42 CO -0.92 -0.89 -0.18 0.07 0.00 0.00 0.00 179.25 177.33 3h1j h ARG 43 N -0.37 0.18 -0.04 0.00 0.11 -1.00 -1.74 114.38 111.52 3h1j h ARG 43 Ca 0.04 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 3h1j h ARG 43 Cb 0.47 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3h1j h ARG 43 CO -0.38 0.36 -0.28 0.28 0.10 0.00 0.00 179.97 180.06 3h1j h VAL 44 N 0.17 1.46 -0.21 0.08 2.07 -0.67 -0.65 116.25 118.50 3h1j h VAL 44 Ca 0.03 -1.77 0.06 0.00 0.82 0.00 0.00 66.70 65.85 3h1j h VAL 44 Cb 0.42 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3h1j h VAL 44 CO 0.03 0.50 0.18 0.28 0.02 0.00 0.00 177.57 178.58 3h1j h SER 45 N -0.29 0.00 0.00 0.57 0.02 0.16 -2.54 113.55 111.47 3h1j h SER 45 Ca -0.02 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 3h1j h SER 45 Cb 0.95 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3h1j h SER 45 CO 0.06 0.00 -0.83 0.77 -1.14 0.00 0.00 176.83 175.69 3h1j h SER 46 N 0.00 0.00 -2.45 3.07 4.64 -1.28 -3.46 113.55 114.07 3h1j h SER 46 Ca 0.10 -0.50 -0.57 0.00 -0.47 0.00 0.00 61.79 60.35 3h1j h SER 46 Cb 0.46 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.62 3h1j h SER 46 CO -0.00 1.23 0.84 0.54 -0.87 0.00 0.00 176.83 178.56 3h1j n ARG 47 N -4.51 2.32 -1.25 4.77 1.74 -0.26 -4.87 116.66 114.59 3h1j n ARG 47 Ca -0.22 0.83 -0.17 0.00 -0.77 0.00 0.00 57.85 57.52 3h1j n ARG 47 Cb 0.54 -2.61 0.13 0.00 -1.02 0.00 0.00 32.46 29.50 3h1j n ARG 47 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3h1j n SER 48 N 3.37 4.18 -2.59 0.55 3.41 -1.26 -4.62 113.62 116.65 3h1j n SER 48 Ca 0.16 -3.77 -0.03 0.00 -0.26 0.00 0.00 58.87 54.96 3h1j n SER 48 Cb 0.31 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 3h1j n SER 48 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h1j n HIS 49 N -0.99 -0.34 -4.65 7.33 -0.00 -1.26 -5.15 115.22 110.16 3h1j n HIS 49 Ca 0.44 -0.67 -0.24 0.00 -0.00 0.00 0.00 57.72 57.26 3h1j n HIS 49 Cb 1.00 1.14 -0.14 0.00 -0.00 0.00 0.00 29.99 31.98 3h1j n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3h1j s THR 50 N 0.03 1.38 -2.26 3.57 -1.32 -1.26 -5.02 115.64 110.75 3h1j s THR 50 Ca 0.03 -0.92 0.29 0.00 -1.21 0.00 0.00 61.69 59.88 3h1j s THR 50 Cb 0.06 -1.18 0.60 0.00 -1.51 0.00 0.00 72.50 70.46 3h1j s THR 50 CO -0.01 0.24 1.84 -0.62 -2.21 0.00 0.00 174.62 173.86 3h1j n GLU 51 N 2.26 1.38 -0.82 7.08 -0.58 -1.26 -4.93 120.64 123.77 3h1j n GLU 51 Ca -0.16 -0.66 -0.31 0.00 -0.42 0.00 0.00 57.16 55.61 3h1j n GLU 51 Cb 0.54 -1.49 0.16 0.00 -0.57 0.00 0.00 31.44 30.08 3h1j n GLU 51 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3h1j s GLU 52 N -2.08 1.09 -0.07 3.49 2.12 -1.26 -5.05 118.70 116.93 3h1j s GLU 52 Ca 0.38 1.37 -0.17 0.00 0.36 0.00 0.00 54.97 56.91 3h1j s GLU 52 Cb 0.21 -1.75 0.04 0.00 0.26 0.00 0.00 34.13 32.89 3h1j s GLU 52 CO 0.37 -2.52 0.40 -0.65 -0.54 0.00 0.00 175.26 172.32 3h1j s GLN 53 N -4.70 0.66 -0.31 4.30 -0.21 -1.26 -5.06 119.66 113.08 3h1j s GLN 53 Ca 0.66 0.15 0.05 0.00 0.02 0.00 0.00 55.36 56.24 3h1j s GLN 53 Cb -0.22 0.31 0.56 0.00 1.00 0.00 0.00 33.01 34.66 3h1j s GLN 53 CO 0.58 -0.16 1.66 0.00 -2.12 0.00 0.00 175.29 175.26 3h1j h THR 55 N 1.42 0.13 -0.63 0.00 2.02 -1.98 -0.22 112.91 113.65 3h1j h THR 55 Ca 0.37 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.66 3h1j h THR 55 Cb 2.27 0.13 -0.12 0.00 -1.74 0.00 0.00 68.15 68.69 3h1j h THR 55 CO 0.75 0.00 -0.32 -0.08 0.37 0.00 0.00 175.52 176.24 3h1j h GLU 56 N -1.07 -0.13 -0.71 6.66 4.81 -1.99 0.40 114.58 122.55 3h1j h GLU 56 Ca -0.09 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3h1j h GLU 56 Cb 0.86 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3h1j h GLU 56 CO 0.09 -0.09 0.30 0.93 -0.73 0.00 0.00 179.01 179.51 3h1j h GLU 57 N -0.14 1.04 -0.96 1.92 3.07 -1.86 0.58 114.58 118.25 3h1j h GLU 57 Ca 0.25 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 3h1j h GLU 57 Cb 0.55 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 3h1j h GLU 57 CO -0.70 0.85 0.63 1.25 -1.40 0.00 0.00 179.01 179.64 3h1j h LEU 58 N 1.00 1.09 -0.07 1.33 5.85 0.87 -0.06 115.31 125.32 3h1j h LEU 58 Ca 0.24 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3h1j h LEU 58 Cb 0.18 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3h1j h LEU 58 CO -0.02 0.79 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.57 3h1j h PHE 59 N 1.29 0.17 -0.78 1.25 0.04 0.34 0.27 116.94 119.52 3h1j h PHE 59 Ca 0.35 -0.04 0.08 0.00 2.80 0.00 0.00 57.97 61.16 3h1j h PHE 59 Cb -0.14 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 37.92 3h1j h PHE 59 CO -0.00 0.51 0.51 -0.44 -0.60 0.00 0.00 178.31 178.29 3h1j h ASP 60 N -0.22 0.70 0.49 2.17 3.32 -0.64 0.60 116.42 122.83 3h1j h ASP 60 Ca 0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3h1j h ASP 60 Cb 0.47 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3h1j h ASP 60 CO 0.01 0.44 -0.23 0.15 -1.72 0.00 0.00 179.24 177.89 3h1j h PHE 61 N 0.79 -0.61 -0.46 4.55 3.57 -0.74 -2.55 116.94 121.50 3h1j h PHE 61 Ca 0.34 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.92 3h1j h PHE 61 Cb 0.31 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 3h1j h PHE 61 CO -0.00 -0.29 0.02 -0.07 -2.23 0.00 0.00 178.31 175.74 3h1j h LEU 62 N -1.02 -0.15 -0.38 0.59 3.38 -0.07 0.17 115.31 117.83 3h1j h LEU 62 Ca -0.07 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3h1j h LEU 62 Cb 0.59 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 3h1j h LEU 62 CO 0.11 -0.04 -0.04 -0.74 0.09 0.00 0.00 178.44 177.82 3h1j h HIS 63 N 0.14 -0.09 -0.44 1.13 2.76 0.16 0.14 115.15 118.95 3h1j h HIS 63 Ca 0.23 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 3h1j h HIS 63 Cb 0.33 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3h1j h HIS 63 CO -0.28 -0.11 -0.14 0.00 -1.30 0.00 0.00 177.93 176.10 3h1j h ALA 64 N 1.35 0.60 0.27 5.26 0.00 -0.98 -1.83 119.26 123.93 3h1j h ALA 64 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3h1j h ALA 64 Cb 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h1j h ALA 64 CO -0.34 0.52 -0.13 -0.09 0.00 0.00 0.00 179.25 179.21 3h1j h ARG 65 N 0.70 -0.35 -0.78 0.00 2.43 0.06 -2.84 114.38 113.60 3h1j h ARG 65 Ca 0.11 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.44 3h1j h ARG 65 Cb 0.69 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 3h1j h ARG 65 CO 0.05 -0.23 0.51 -0.44 -1.51 0.00 0.00 179.97 178.35 3h1j h ASP 66 N -0.41 0.48 -0.40 -3.80 3.45 -0.85 0.28 116.42 115.16 3h1j h ASP 66 Ca -0.04 0.02 0.06 0.00 0.43 0.00 0.00 57.03 57.50 3h1j h ASP 66 Cb 0.28 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.93 3h1j h ASP 66 CO 0.06 0.25 0.10 -0.74 -1.57 0.00 0.00 179.24 177.35 3h1j h HIS 67 N 0.51 0.17 0.21 4.55 2.76 -1.35 0.33 115.15 122.35 3h1j h HIS 67 Ca 0.38 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.56 3h1j h HIS 67 Cb 0.75 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.70 3h1j h HIS 67 CO -0.00 0.04 -0.10 0.00 -1.30 0.00 0.00 177.93 176.57 3h1j h VAL 69 N -0.36 0.05 0.00 0.00 2.07 0.08 0.20 116.25 118.28 3h1j h VAL 69 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3h1j h VAL 69 Cb 0.28 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3h1j h VAL 69 CO 0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.64 3h1j n ALA 70 N -3.11 1.58 -0.12 1.67 0.00 0.11 -1.22 120.51 119.42 3h1j n ALA 70 Ca -0.01 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3h1j n ALA 70 Cb 0.34 -1.03 0.25 0.00 0.00 0.00 0.00 19.45 19.02 3h1j n ALA 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3h1j n HIS 71 N -0.92 0.72 -0.24 0.00 -0.00 0.70 -4.63 115.22 110.86 3h1j n HIS 71 Ca 0.01 -0.41 0.00 0.00 0.46 0.00 0.00 57.72 57.78 3h1j n HIS 71 Cb 0.01 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3h1j n HIS 71 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 3h1j n LYS 72 N 1.37 0.00 -0.28 1.57 2.85 -0.93 -4.97 118.16 117.77 3h1j n LYS 72 Ca 0.20 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.56 3h1j n LYS 72 Cb 0.57 0.00 0.25 0.00 -0.65 0.00 0.00 35.03 35.20 3h1j n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3h1j h LEU 73 N 0.00 0.02 -1.89 -5.58 5.85 -1.43 0.71 115.31 113.00 3h1j h LEU 73 Ca 0.00 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3h1j h LEU 73 Cb 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3h1j h LEU 73 CO 0.00 -0.10 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.62 3h1j h PHE 74 N 0.25 0.00 -0.98 1.25 0.05 -1.88 -2.30 116.94 113.33 3h1j h PHE 74 Ca 0.50 0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.35 3h1j h PHE 74 Cb 0.96 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 38.85 3h1j h PHE 74 CO -0.26 0.12 0.64 -0.91 -0.18 0.00 0.00 178.31 177.71 3h1j h ASN 75 N 0.00 1.02 1.82 2.17 2.35 -1.24 -1.49 115.58 120.20 3h1j h ASN 75 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1j h ASN 75 Cb 0.25 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3h1j h ASN 75 CO 0.02 0.66 0.00 0.11 -1.65 0.00 0.00 177.43 176.57 3h1j h LYS 76 N 1.16 0.00 -6.98 0.81 1.57 -1.47 -3.45 116.57 108.21 3h1j h LYS 76 Ca 0.41 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.71 3h1j h LYS 76 Cb 0.14 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.49 3h1j h LYS 76 CO -0.15 0.00 0.12 -0.51 -0.57 0.00 0.00 179.45 178.34 3h1j s LEU 77 N -5.81 3.49 0.00 2.94 1.43 -0.56 -4.98 118.68 115.19 3h1j s LEU 77 Ca 0.07 0.82 0.20 0.00 -1.03 0.00 0.00 54.13 54.20 3h1j s LEU 77 Cb 0.07 -3.73 0.16 0.00 0.03 0.00 0.00 46.19 42.71 3h1j s LEU 77 CO 0.64 -0.75 1.13 1.17 0.23 0.00 0.00 176.35 178.77