#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j h LEU 5 N 0.00 0.04 -1.00 0.00 3.38 -2.03 0.65 115.31 116.35 3h1j h LEU 5 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h1j h LEU 5 Cb 0.00 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3h1j h LEU 5 CO 0.00 0.05 0.62 -0.07 0.09 0.00 0.00 178.44 179.13 3h1j h LEU 6 N 0.26 1.14 -0.04 1.67 3.38 -2.03 2.26 115.31 121.96 3h1j h LEU 6 Ca 0.25 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3h1j h LEU 6 Cb 0.33 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3h1j h LEU 6 CO -0.31 0.85 -0.08 0.03 0.09 0.00 0.00 178.44 179.02 3h1j h ARG 7 N 1.33 0.12 -0.27 1.13 3.08 -1.69 -0.95 114.38 117.13 3h1j h ARG 7 Ca 0.35 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 3h1j h ARG 7 Cb -0.12 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3h1j h ARG 7 CO -0.07 0.66 0.16 1.96 -1.07 0.00 0.00 179.97 181.60 3h1j h GLN 8 N -0.41 0.37 0.37 0.04 4.20 0.12 0.53 115.11 120.33 3h1j h GLN 8 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3h1j h GLN 8 Cb 0.66 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3h1j h GLN 8 CO 0.02 0.31 -0.31 0.00 -0.67 0.00 0.00 178.83 178.18 3h1j h ALA 9 N 1.04 -0.69 0.21 3.87 0.00 0.37 0.40 119.26 124.45 3h1j h ALA 9 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h1j h ALA 9 Cb 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h1j h ALA 9 CO -0.02 -0.92 -0.26 -0.92 0.00 0.00 0.00 179.25 177.14 3h1j h TYR 10 N -0.69 -0.72 -1.08 0.00 3.20 -0.98 0.98 116.97 117.68 3h1j h TYR 10 Ca -0.03 0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.17 3h1j h TYR 10 Cb 0.60 0.29 -0.12 0.00 1.54 0.00 0.00 36.73 39.04 3h1j h TYR 10 CO -0.16 -0.33 0.66 1.03 -1.64 0.00 0.00 178.16 177.73 3h1j h SER 11 N -0.48 0.46 0.00 -2.11 0.87 0.18 -1.60 113.55 110.88 3h1j h SER 11 Ca -0.03 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3h1j h SER 11 Cb 0.43 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3h1j h SER 11 CO -0.06 -0.04 -1.12 0.00 -0.53 0.00 0.00 176.83 175.08 3h1j n ALA 12 N -2.40 3.33 0.05 6.23 0.00 0.14 -4.71 120.51 123.15 3h1j n ALA 12 Ca 0.30 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h1j n ALA 12 Cb 1.01 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3h1j n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1j n LEU 13 N -1.64 0.51 0.22 0.00 4.77 0.34 -4.88 117.00 116.31 3h1j n LEU 13 Ca 0.00 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3h1j n LEU 13 Cb 0.30 -0.09 0.37 0.00 -2.33 0.00 0.00 43.42 41.67 3h1j n LEU 13 CO 0.31 -0.54 0.78 -0.26 -1.33 0.00 0.00 177.39 176.34 3h1j h PHE 14 N 0.00 0.00 0.29 -1.77 0.05 -1.32 -0.36 116.94 113.82 3h1j h PHE 14 Ca 0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 3h1j h PHE 14 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.22 3h1j h PHE 14 CO 0.00 0.20 -0.14 -0.09 -0.18 0.00 0.00 178.31 178.10 3h1j h ARG 15 N 0.00 -0.37 -6.29 1.51 2.43 -1.56 -3.42 114.38 106.68 3h1j h ARG 15 Ca -0.00 0.03 -0.55 0.00 -0.81 0.00 0.00 59.98 58.64 3h1j h ARG 15 Cb 0.86 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3h1j h ARG 15 CO 0.03 -0.25 0.89 1.03 -1.51 0.00 0.00 179.97 180.16 3h1j s ARG 16 N -3.23 4.26 0.56 0.20 0.52 -1.26 -4.89 118.95 115.10 3h1j s ARG 16 Ca -0.06 1.91 0.30 0.00 -0.52 0.00 0.00 55.73 57.37 3h1j s ARG 16 Cb 0.01 -3.70 1.46 0.00 0.52 0.00 0.00 34.95 33.24 3h1j s ARG 16 CO 0.17 -0.65 1.88 1.15 0.02 0.00 0.00 175.30 177.87 3h1j h THR 17 N 5.20 0.48 0.30 0.02 2.02 -1.87 -0.46 112.91 118.61 3h1j h THR 17 Ca -0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3h1j h THR 17 Cb 1.16 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3h1j h THR 17 CO 0.93 0.00 -0.14 0.77 0.37 0.00 0.00 175.52 177.44 3h1j h SER 18 N 0.00 -0.34 -0.74 4.18 4.64 -1.90 -2.72 113.55 116.66 3h1j h SER 18 Ca 0.35 0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.87 3h1j h SER 18 Cb 1.52 0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.66 3h1j h SER 18 CO -0.00 0.01 0.52 0.71 -0.87 0.00 0.00 176.83 177.19 3h1j h THR 19 N -0.91 0.68 0.35 2.95 1.35 -1.67 0.15 112.91 115.81 3h1j h THR 19 Ca -0.04 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 3h1j h THR 19 Cb 0.31 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3h1j h THR 19 CO 0.07 0.03 -0.17 0.15 -0.25 0.00 0.00 175.52 175.34 3h1j h PHE 20 N 0.14 -0.43 -0.12 4.73 3.04 0.63 0.21 116.94 125.14 3h1j h PHE 20 Ca 0.36 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.34 3h1j h PHE 20 Cb 1.23 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.84 3h1j h PHE 20 CO -0.00 -0.18 -0.13 0.00 -2.02 0.00 0.00 178.31 175.98 3h1j h ALA 21 N -0.03 -0.04 -0.76 2.41 0.00 -0.47 -0.98 119.26 119.39 3h1j h ALA 21 Ca -0.05 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3h1j h ALA 21 Cb 0.45 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3h1j h ALA 21 CO 0.08 -0.58 0.50 -0.07 0.00 0.00 0.00 179.25 179.17 3h1j h LEU 22 N -0.16 0.74 -0.92 0.00 3.38 -0.98 -0.62 115.31 116.75 3h1j h LEU 22 Ca 0.09 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3h1j h LEU 22 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3h1j h LEU 22 CO -0.22 0.49 0.13 0.74 0.09 0.00 0.00 178.44 179.68 3h1j h THR 23 N 0.85 1.24 -0.52 0.22 2.02 0.17 0.02 112.91 116.91 3h1j h THR 23 Ca 0.32 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.50 3h1j h THR 23 Cb 0.17 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3h1j h THR 23 CO -0.10 0.33 -0.10 0.58 0.37 0.00 0.00 175.52 176.60 3h1j h VAL 24 N 0.89 1.27 0.85 3.16 2.07 0.09 0.46 116.25 125.04 3h1j h VAL 24 Ca 0.19 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 3h1j h VAL 24 Cb 0.33 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3h1j h VAL 24 CO 0.00 0.44 -0.41 0.58 0.02 0.00 0.00 177.57 178.20 3h1j h VAL 25 N 0.84 0.00 -0.67 2.57 2.07 -0.98 -0.82 116.25 119.26 3h1j h VAL 25 Ca 0.13 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.74 3h1j h VAL 25 Cb 0.66 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 3h1j h VAL 25 CO 0.05 0.00 0.08 0.25 0.02 0.00 0.00 177.57 177.96 3h1j h LEU 26 N -1.20 -0.15 0.09 2.57 7.12 -0.96 -2.21 115.31 120.58 3h1j h LEU 26 Ca -0.12 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.04 3h1j h LEU 26 Cb 0.88 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 3h1j h LEU 26 CO 0.19 -0.08 -0.19 1.23 -0.13 0.00 0.00 178.44 179.46 3h1j h GLY 27 N 0.18 -1.10 -0.94 3.75 0.00 0.09 -2.23 103.07 102.82 3h1j h GLY 27 Ca 0.36 0.51 0.13 0.00 0.00 0.00 0.00 47.33 48.34 3h1j h GLY 27 CO -0.52 -0.36 -0.44 0.00 0.00 0.00 0.00 176.54 175.22 3h1j h ALA 28 N -1.28 -0.04 -0.73 3.60 0.00 -0.81 0.33 119.26 120.32 3h1j h ALA 28 Ca -0.01 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3h1j h ALA 28 Cb 0.29 1.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 3h1j h ALA 28 CO -0.08 -0.72 -0.54 0.28 0.00 0.00 0.00 179.25 178.19 3h1j h VAL 29 N -0.02 0.00 -0.27 0.00 2.07 -1.08 1.46 116.25 118.41 3h1j h VAL 29 Ca 0.29 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 3h1j h VAL 29 Cb 0.55 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3h1j h VAL 29 CO -0.95 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 176.65 3h1j h LEU 30 N -0.14 0.41 -0.49 2.57 3.38 -0.54 -2.80 115.31 117.70 3h1j h LEU 30 Ca 0.12 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3h1j h LEU 30 Cb 0.45 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3h1j h LEU 30 CO -0.76 0.52 0.16 0.15 0.09 0.00 0.00 178.44 178.59 3h1j h PHE 31 N 0.27 0.27 0.10 1.13 3.57 0.72 -1.77 116.94 121.23 3h1j h PHE 31 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3h1j h PHE 31 Cb 0.27 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3h1j h PHE 31 CO 0.01 0.08 -0.23 1.49 -2.23 0.00 0.00 178.31 177.43 3h1j h GLU 32 N 0.32 -0.34 -0.62 1.11 4.81 0.22 0.42 114.58 120.50 3h1j h GLU 32 Ca 0.24 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 3h1j h GLU 32 Cb 0.26 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 3h1j h GLU 32 CO -0.26 -0.23 -0.55 0.00 -0.73 0.00 0.00 179.01 177.25 3h1j h ARG 33 N -0.36 -0.22 -0.07 1.92 3.08 -1.36 0.21 114.38 117.57 3h1j h ARG 33 Ca -0.01 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3h1j h ARG 33 Cb 0.34 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 3h1j h ARG 33 CO -0.10 -0.15 -0.54 0.00 -1.07 0.00 0.00 179.97 178.11 3h1j h ALA 34 N 0.12 -0.93 0.36 0.04 0.00 -1.09 -1.18 119.26 116.58 3h1j h ALA 34 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h1j h ALA 34 Cb 0.50 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3h1j h ALA 34 CO -0.71 -1.11 -0.44 0.35 0.00 0.00 0.00 179.25 177.34 3h1j h PHE 35 N -0.63 -1.22 -0.58 0.00 3.57 0.56 -1.71 116.94 116.93 3h1j h PHE 35 Ca 0.02 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.65 3h1j h PHE 35 Cb 0.70 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 3h1j h PHE 35 CO -0.56 -0.58 0.03 -0.44 -2.23 0.00 0.00 178.31 174.53 3h1j h ASP 36 N -0.84 -0.20 0.99 0.41 3.32 -0.47 0.26 116.42 119.90 3h1j h ASP 36 Ca -0.03 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3h1j h ASP 36 Cb 0.77 0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.56 3h1j h ASP 36 CO -0.11 -0.08 -0.48 1.56 -1.72 0.00 0.00 179.24 178.41 3h1j h GLN 37 N 0.14 -1.28 -0.92 3.56 4.20 -1.04 -2.27 115.11 117.51 3h1j h GLN 37 Ca 0.30 0.09 0.14 0.00 0.06 0.00 0.00 58.65 59.24 3h1j h GLN 37 Cb 0.47 0.29 -0.09 0.00 0.30 0.00 0.00 27.48 28.45 3h1j h GLN 37 CO -0.47 -0.86 0.54 0.78 -0.67 0.00 0.00 178.83 178.15 3h1j h GLY 38 N -1.34 1.53 0.88 3.46 0.00 -0.92 0.73 103.07 107.40 3h1j h GLY 38 Ca -0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3h1j h GLY 38 CO 0.22 0.04 -0.14 0.00 0.00 0.00 0.00 176.54 176.66 3h1j h ALA 39 N 1.56 -0.32 -0.32 3.60 0.00 -0.40 0.35 119.26 123.73 3h1j h ALA 39 Ca 0.49 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.37 3h1j h ALA 39 Cb 0.61 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3h1j h ALA 39 CO -0.32 -0.69 0.14 -0.44 0.00 0.00 0.00 179.25 177.93 3h1j h ASP 40 N -0.34 0.18 -0.33 0.00 3.32 -0.82 -0.03 116.42 118.40 3h1j h ASP 40 Ca -0.01 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.13 3h1j h ASP 40 Cb 0.30 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 3h1j h ASP 40 CO -0.01 0.14 -0.33 0.00 -1.72 0.00 0.00 179.24 177.32 3h1j h ALA 41 N 1.18 -0.26 -1.01 3.45 0.00 -0.47 0.45 119.26 122.61 3h1j h ALA 41 Ca 0.14 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3h1j h ALA 41 Cb 0.08 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 3h1j h ALA 41 CO -0.12 -0.76 0.65 0.82 0.00 0.00 0.00 179.25 179.85 3h1j h ILE 42 N -0.30 1.10 0.23 0.00 2.04 -0.32 0.36 117.51 120.63 3h1j h ILE 42 Ca 0.15 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3h1j h ILE 42 Cb 0.54 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3h1j h ILE 42 CO -0.49 0.22 -0.11 0.15 0.00 0.00 0.00 178.15 177.91 3h1j h PHE 43 N 1.20 -0.29 -0.44 1.37 3.57 0.82 -2.42 116.94 120.74 3h1j h PHE 43 Ca 0.43 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.95 3h1j h PHE 43 Cb 0.14 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3h1j h PHE 43 CO -0.00 0.07 0.30 0.93 -2.23 0.00 0.00 178.31 177.37 3h1j h GLU 44 N -0.71 0.48 0.05 1.11 5.08 0.01 -2.16 114.58 118.45 3h1j h GLU 44 Ca -0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3h1j h GLU 44 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3h1j h GLU 44 CO 0.05 0.32 -0.03 1.25 -1.00 0.00 0.00 179.01 179.61 3h1j h HIS 45 N 0.50 -0.07 0.00 4.33 2.76 -0.92 -2.56 115.15 119.19 3h1j h HIS 45 Ca 0.18 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3h1j h HIS 45 Cb 0.10 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.08 3h1j h HIS 45 CO -0.00 0.26 0.00 1.28 -1.30 0.00 0.00 177.93 178.17 3h1j n LEU 46 N -4.97 0.00 -2.56 0.26 4.77 -0.86 -2.71 117.00 110.93 3h1j n LEU 46 Ca -0.08 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 3h1j n LEU 46 Cb 0.19 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3h1j n LEU 46 CO 0.33 -0.35 0.03 0.59 -1.33 0.00 0.00 177.39 176.66 3h1j n ASN 47 N -1.40 2.76 -4.77 -1.43 3.02 -0.90 -5.09 115.26 107.45 3h1j n ASN 47 Ca 0.01 -2.84 -0.40 0.00 -0.03 0.00 0.00 54.58 51.31 3h1j n ASN 47 Cb 0.03 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.75 3h1j n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h1j s GLU 48 N -3.54 3.93 0.00 3.52 0.41 -1.09 -2.79 118.70 119.14 3h1j s GLU 48 Ca 0.36 2.49 0.00 0.00 -0.41 0.00 0.00 54.97 57.41 3h1j s GLU 48 Cb 0.39 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 3h1j s GLU 48 CO -0.03 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 3h1j n GLY 49 N 0.52 0.22 0.01 -1.39 0.00 -1.26 -4.77 105.19 98.52 3h1j n GLY 49 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3h1j n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1j n LYS 50 N -1.62 0.60 -3.34 1.61 5.02 -1.12 -4.62 118.16 114.69 3h1j n LYS 50 Ca 0.00 -0.17 -0.32 0.00 -2.02 0.00 0.00 58.31 55.80 3h1j n LYS 50 Cb 0.07 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 3h1j n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1j s LEU 51 N -4.29 4.15 0.50 -0.35 1.43 -1.25 -4.91 118.68 113.96 3h1j s LEU 51 Ca -0.06 1.02 0.31 0.00 -1.03 0.00 0.00 54.13 54.37 3h1j s LEU 51 Cb 0.13 -3.75 1.67 0.00 0.03 0.00 0.00 46.19 44.27 3h1j s LEU 51 CO 0.84 -0.09 1.93 -0.25 0.23 0.00 0.00 176.35 179.01 3h1j h TRP 52 N 2.54 0.00 -0.12 0.29 2.91 -1.98 0.70 115.95 120.30 3h1j h TRP 52 Ca -0.47 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.54 3h1j h TRP 52 Cb 1.17 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 3h1j h TRP 52 CO 0.62 0.00 0.05 -0.22 -1.03 0.00 0.00 178.44 177.85 3h1j h LYS 53 N 0.00 0.19 0.08 2.65 3.64 -1.99 0.22 116.57 121.36 3h1j h LYS 53 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h1j h LYS 53 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3h1j h LYS 53 CO 0.00 0.30 -0.04 0.45 -2.27 0.00 0.00 179.45 177.89 3h1j h HIS 54 N 0.03 -0.10 -0.32 1.91 3.86 0.01 -3.31 115.15 117.23 3h1j h HIS 54 Ca 0.04 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3h1j h HIS 54 Cb 0.19 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3h1j h HIS 54 CO -0.01 0.33 0.13 0.82 0.86 0.00 0.00 177.93 180.05 3h1j h ILE 55 N -0.57 1.18 0.00 2.45 1.08 -1.29 -3.39 117.51 116.96 3h1j h ILE 55 Ca -0.01 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 3h1j h ILE 55 Cb 0.48 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3h1j h ILE 55 CO 0.02 0.20 0.00 1.17 -0.69 0.00 0.00 178.15 178.85 3h1j n LYS 56 N -4.72 0.00 -0.36 2.37 4.81 0.06 -1.54 118.16 118.79 3h1j n LYS 56 Ca -0.02 0.00 0.35 0.00 -0.87 0.00 0.00 58.31 57.78 3h1j n LYS 56 Cb 0.14 0.00 0.54 0.00 0.02 0.00 0.00 35.03 35.73 3h1j n LYS 56 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3h1j n HIS 57 N -0.48 0.00 0.30 5.64 1.44 -1.26 -1.61 115.22 119.25 3h1j n HIS 57 Ca 0.00 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.89 3h1j n HIS 57 Cb 0.00 -0.33 0.81 0.00 0.12 0.00 0.00 29.99 30.59 3h1j n HIS 57 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3h1j h LYS 58 N 0.00 0.00 0.00 -1.40 1.57 -1.61 -3.09 116.57 112.05 3h1j h LYS 58 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 3h1j h LYS 58 Cb 3.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.46 3h1j h LYS 58 CO -0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.53 3h1j n TYR 59 N -2.98 0.00 0.00 -1.35 4.02 -0.63 -5.05 117.16 111.17 3h1j n TYR 59 Ca -0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 3h1j n TYR 59 Cb 0.23 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3h1j n TYR 59 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1j n GLU 60 N -0.17 2.78 0.00 -0.72 -0.58 -1.17 -5.08 120.64 115.70 3h1j n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3h1j n GLU 60 Cb 0.23 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 3h1j n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1j n ALA 61 N -3.00 0.00 -0.39 0.62 0.00 -1.26 -5.08 120.51 111.40 3h1j n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h1j n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3h1j n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37