#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h h LEU 5 N 0.00 0.75 -0.92 0.00 3.38 -2.03 0.49 115.31 116.97 3h1h h LEU 5 Ca 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3h1h h LEU 5 Cb 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3h1h h LEU 5 CO 0.00 0.82 0.53 -0.07 0.09 0.00 0.00 178.44 179.80 3h1h h LEU 6 N 0.65 1.14 0.42 1.67 3.38 -2.04 2.19 115.31 122.73 3h1h h LEU 6 Ca 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h1h h LEU 6 Cb 0.39 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h1h h LEU 6 CO 0.01 0.90 -0.20 -0.09 0.09 0.00 0.00 178.44 179.14 3h1h h ARG 7 N 1.29 -0.55 -0.06 1.13 2.43 -1.96 -1.21 114.38 115.45 3h1h h ARG 7 Ca 0.33 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 3h1h h ARG 7 Cb -0.00 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3h1h h ARG 7 CO -0.06 -0.24 -0.07 1.96 -1.51 0.00 0.00 179.97 180.05 3h1h h GLN 8 N -0.88 -0.09 -0.32 0.20 4.20 -0.10 -1.42 115.11 116.70 3h1h h GLN 8 Ca -0.06 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.71 3h1h h GLN 8 Cb 0.56 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 3h1h h GLN 8 CO 0.10 -0.06 -0.46 0.00 -0.67 0.00 0.00 178.83 177.74 3h1h h ALA 9 N 0.95 -0.56 -0.39 3.87 0.00 0.36 0.12 119.26 123.60 3h1h h ALA 9 Ca 0.05 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h1h h ALA 9 Cb 0.16 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3h1h h ALA 9 CO -0.11 -0.93 -0.38 -0.92 0.00 0.00 0.00 179.25 176.91 3h1h h TYR 10 N -0.40 -1.07 0.43 0.00 3.20 -0.73 0.51 116.97 118.91 3h1h h TYR 10 Ca 0.10 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3h1h h TYR 10 Cb 0.61 0.53 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3h1h h TYR 10 CO -0.60 -0.41 -0.49 0.77 -1.64 0.00 0.00 178.16 175.79 3h1h h SER 11 N -0.30 -1.35 1.04 -2.11 0.02 -0.11 0.74 113.55 111.47 3h1h h SER 11 Ca 0.15 0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 61.05 3h1h h SER 11 Cb 0.57 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 3h1h h SER 11 CO -0.55 -0.62 -0.79 0.00 -1.14 0.00 0.00 176.83 173.73 3h1h h ALA 12 N -0.90 0.56 0.00 3.77 0.00 -0.86 -3.37 119.26 118.47 3h1h h ALA 12 Ca -0.05 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 53.90 3h1h h ALA 12 Cb 0.82 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3h1h h ALA 12 CO -0.09 0.98 -1.82 1.28 0.00 0.00 0.00 179.25 179.60 3h1h n LEU 13 N -3.41 1.68 0.06 0.00 4.77 0.18 -4.82 117.00 115.45 3h1h n LEU 13 Ca 0.00 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3h1h n LEU 13 Cb 0.81 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3h1h n LEU 13 CO 0.44 0.45 0.06 0.49 -1.33 0.00 0.00 177.39 177.50 3h1h n PHE 14 N -3.42 0.55 0.23 -1.77 0.99 -0.89 -1.80 117.46 111.34 3h1h n PHE 14 Ca -0.28 0.16 -0.10 0.00 -0.00 0.00 0.00 57.45 57.24 3h1h n PHE 14 Cb 0.73 -0.66 -0.05 0.00 -1.00 0.00 0.00 39.48 38.50 3h1h n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3h1h h ARG 15 N 0.00 -0.60 -6.35 -1.08 2.43 -1.03 -3.43 114.38 104.32 3h1h h ARG 15 Ca 0.00 0.04 -0.55 0.00 -0.81 0.00 0.00 59.98 58.66 3h1h h ARG 15 Cb 0.83 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3h1h h ARG 15 CO 0.00 -0.40 0.55 1.03 -1.51 0.00 0.00 179.97 179.64 3h1h s ARG 16 N -3.68 4.44 0.32 0.20 0.52 -1.26 -4.92 118.95 114.57 3h1h s ARG 16 Ca -0.09 1.53 0.05 0.00 -0.52 0.00 0.00 55.73 56.70 3h1h s ARG 16 Cb 0.01 -3.49 0.68 0.00 0.52 0.00 0.00 34.95 32.67 3h1h s ARG 16 CO 0.27 -0.27 1.87 1.15 0.02 0.00 0.00 175.30 178.35 3h1h h THR 17 N 4.90 0.91 -0.49 0.02 2.02 -1.90 0.95 112.91 119.32 3h1h h THR 17 Ca -0.36 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3h1h h THR 17 Cb 1.18 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3h1h h THR 17 CO 0.83 0.15 0.31 0.77 0.37 0.00 0.00 175.52 177.95 3h1h h SER 18 N 0.85 0.57 0.89 4.18 4.64 -1.94 -1.75 113.55 120.99 3h1h h SER 18 Ca 0.45 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.61 3h1h h SER 18 Cb 0.53 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3h1h h SER 18 CO -0.21 0.43 -0.60 0.71 -0.87 0.00 0.00 176.83 176.29 3h1h h THR 19 N 0.66 1.23 -0.63 2.95 1.35 -1.48 -2.24 112.91 114.76 3h1h h THR 19 Ca 0.18 -2.20 -0.02 0.00 -0.55 0.00 0.00 66.41 63.82 3h1h h THR 19 Cb -0.05 2.25 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 3h1h h THR 19 CO -0.04 0.59 0.30 0.15 -0.25 0.00 0.00 175.52 176.27 3h1h h PHE 20 N 0.00 0.91 -0.32 4.73 3.04 -0.06 -0.35 116.94 124.88 3h1h h PHE 20 Ca -0.01 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 3h1h h PHE 20 Cb 1.20 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 3h1h h PHE 20 CO 0.00 0.69 0.08 0.00 -2.02 0.00 0.00 178.31 177.06 3h1h h ALA 21 N 1.13 0.42 -0.95 2.41 0.00 -1.19 -1.48 119.26 119.60 3h1h h ALA 21 Ca 0.21 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3h1h h ALA 21 Cb 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3h1h h ALA 21 CO -0.03 0.08 0.62 1.25 0.00 0.00 0.00 179.25 181.18 3h1h h LEU 22 N 0.36 1.00 -0.28 0.00 5.85 -1.06 -1.75 115.31 119.43 3h1h h LEU 22 Ca 0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3h1h h LEU 22 Cb 0.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3h1h h LEU 22 CO 0.00 0.66 0.07 0.74 -0.34 0.00 0.00 178.44 179.57 3h1h h THR 23 N 1.14 1.21 -0.70 1.05 2.02 -0.71 -1.51 112.91 115.40 3h1h h THR 23 Ca 0.40 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.94 3h1h h THR 23 Cb 0.11 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3h1h h THR 23 CO -0.14 0.23 0.46 0.58 0.37 0.00 0.00 175.52 177.02 3h1h h VAL 24 N 0.29 1.04 0.09 3.16 2.07 -0.51 0.88 116.25 123.26 3h1h h VAL 24 Ca 0.09 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3h1h h VAL 24 Cb 0.28 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3h1h h VAL 24 CO 0.00 0.14 -0.04 0.58 0.02 0.00 0.00 177.57 178.27 3h1h h VAL 25 N 0.76 0.00 -0.97 2.57 2.07 -1.16 -1.27 116.25 118.25 3h1h h VAL 25 Ca 0.30 -0.17 0.20 0.00 0.82 0.00 0.00 66.70 67.85 3h1h h VAL 25 Cb 0.21 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.89 3h1h h VAL 25 CO -0.09 0.00 0.61 0.25 0.02 0.00 0.00 177.57 178.36 3h1h h LEU 26 N -0.29 0.61 -0.82 2.57 5.85 -1.26 0.42 115.31 122.39 3h1h h LEU 26 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3h1h h LEU 26 Cb 0.09 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3h1h h LEU 26 CO 0.02 0.23 0.45 1.23 -0.34 0.00 0.00 178.44 180.03 3h1h h GLY 27 N 0.60 1.23 0.70 3.75 0.00 0.72 -1.88 103.07 108.19 3h1h h GLY 27 Ca 0.53 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3h1h h GLY 27 CO -0.29 0.53 -0.03 0.00 0.00 0.00 0.00 176.54 176.76 3h1h h ALA 28 N 1.24 0.14 -0.69 3.60 0.00 0.95 0.12 119.26 124.61 3h1h h ALA 28 Ca 0.29 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3h1h h ALA 28 Cb 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3h1h h ALA 28 CO -0.05 -0.12 0.17 0.28 0.00 0.00 0.00 179.25 179.53 3h1h h VAL 29 N -0.15 0.57 -0.16 0.00 2.07 -0.49 0.25 116.25 118.33 3h1h h VAL 29 Ca 0.02 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 3h1h h VAL 29 Cb 0.46 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3h1h h VAL 29 CO 0.01 0.05 -0.76 -0.07 0.02 0.00 0.00 177.57 176.82 3h1h h LEU 30 N 0.28 0.93 -0.93 2.57 3.38 -1.30 -2.99 115.31 117.24 3h1h h LEU 30 Ca 0.38 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3h1h h LEU 30 Cb 0.61 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3h1h h LEU 30 CO -0.47 1.40 0.47 0.15 0.09 0.00 0.00 178.44 180.08 3h1h h PHE 31 N 0.54 1.21 0.31 1.13 3.57 0.17 -2.25 116.94 121.62 3h1h h PHE 31 Ca -0.05 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 3h1h h PHE 31 Cb 1.39 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3h1h h PHE 31 CO 0.08 0.84 -0.15 1.49 -2.23 0.00 0.00 178.31 178.34 3h1h h GLU 32 N 1.23 -0.40 -0.91 1.11 4.81 -0.58 0.25 114.58 120.08 3h1h h GLU 32 Ca 0.31 0.03 0.35 0.00 -0.13 0.00 0.00 59.36 59.91 3h1h h GLU 32 Cb 0.04 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 29.35 3h1h h GLU 32 CO -0.05 -0.27 0.36 -2.13 -0.73 0.00 0.00 179.01 176.20 3h1h n ARG 33 N -3.14 -0.06 0.04 1.92 0.63 -1.13 -0.88 116.66 114.04 3h1h n ARG 33 Ca -0.05 1.29 -0.18 0.00 -0.92 0.00 0.00 57.85 57.99 3h1h n ARG 33 Cb 0.17 -2.24 -0.14 0.00 0.45 0.00 0.00 32.46 30.70 3h1h n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1h h ALA 34 N 1.82 0.37 -0.38 5.13 0.00 -1.29 -3.18 119.26 121.74 3h1h h ALA 34 Ca 0.71 -1.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3h1h h ALA 34 Cb 1.80 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 3h1h h ALA 34 CO -0.74 1.23 -0.23 0.35 0.00 0.00 0.00 179.25 179.85 3h1h h PHE 35 N 0.07 0.85 0.52 0.00 3.57 0.15 -1.82 116.94 120.27 3h1h h PHE 35 Ca -0.31 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 3h1h h PHE 35 Cb 2.03 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 40.58 3h1h h PHE 35 CO 0.06 0.91 -0.25 -0.44 -2.23 0.00 0.00 178.31 176.37 3h1h h ASP 36 N 0.66 -0.59 -0.81 0.41 3.32 -1.18 -1.82 116.42 116.42 3h1h h ASP 36 Ca 0.09 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.34 3h1h h ASP 36 Cb 0.74 0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.29 3h1h h ASP 36 CO 0.06 -0.28 -0.10 1.56 -1.72 0.00 0.00 179.24 178.76 3h1h h GLN 37 N -0.97 0.04 0.19 3.56 4.20 -1.59 0.12 115.11 120.65 3h1h h GLN 37 Ca -0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3h1h h GLN 37 Cb 0.53 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3h1h h GLN 37 CO 0.12 0.02 -0.10 0.78 -0.67 0.00 0.00 178.83 178.98 3h1h h GLY 38 N 0.04 -0.28 1.00 3.46 0.00 -1.36 0.17 103.07 106.10 3h1h h GLY 38 Ca 0.42 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 3h1h h GLY 38 CO -0.78 -0.11 0.28 0.00 0.00 0.00 0.00 176.54 175.93 3h1h h ALA 39 N 0.54 0.82 -0.44 3.60 0.00 -0.37 -0.03 119.26 123.37 3h1h h ALA 39 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3h1h h ALA 39 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3h1h h ALA 39 CO 0.03 0.40 0.25 -0.44 0.00 0.00 0.00 179.25 179.50 3h1h h ASP 40 N 0.87 0.41 0.08 0.00 3.32 -0.70 0.90 116.42 121.30 3h1h h ASP 40 Ca 0.21 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.29 3h1h h ASP 40 Cb 0.16 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3h1h h ASP 40 CO -0.02 0.29 -0.32 0.00 -1.72 0.00 0.00 179.24 177.47 3h1h h ALA 41 N 1.20 -0.52 -0.46 3.45 0.00 -0.38 -0.66 119.26 121.89 3h1h h ALA 41 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3h1h h ALA 41 Cb 0.02 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3h1h h ALA 41 CO -0.09 -0.86 0.17 0.82 0.00 0.00 0.00 179.25 179.30 3h1h h ILE 42 N -0.52 0.87 -0.70 0.00 2.04 -0.51 -1.53 117.51 117.16 3h1h h ILE 42 Ca 0.04 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3h1h h ILE 42 Cb 0.57 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3h1h h ILE 42 CO -0.21 0.06 0.46 0.15 0.00 0.00 0.00 178.15 178.61 3h1h h PHE 43 N 0.35 0.88 -0.14 1.37 3.57 -0.49 -1.48 116.94 121.00 3h1h h PHE 43 Ca 0.21 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3h1h h PHE 43 Cb 0.20 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3h1h h PHE 43 CO -0.15 0.56 -0.04 0.93 -2.23 0.00 0.00 178.31 177.39 3h1h h GLU 44 N 0.94 0.27 -0.63 1.11 5.08 -0.70 -2.83 114.58 117.83 3h1h h GLU 44 Ca 0.25 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3h1h h GLU 44 Cb -0.10 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 3h1h h GLU 44 CO -0.05 0.57 0.35 1.25 -1.00 0.00 0.00 179.01 180.12 3h1h h HIS 45 N -0.04 0.64 0.00 4.33 2.76 -1.15 0.14 115.15 121.82 3h1h h HIS 45 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3h1h h HIS 45 Cb 0.47 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3h1h h HIS 45 CO 0.05 0.32 0.06 1.28 -1.30 0.00 0.00 177.93 178.34 3h1h n LEU 46 N -4.80 0.52 -2.36 0.26 4.77 -0.57 -2.37 117.00 112.46 3h1h n LEU 46 Ca 0.07 0.72 -0.12 0.00 -0.03 0.00 0.00 56.01 56.65 3h1h n LEU 46 Cb 0.15 -0.77 0.04 0.00 -2.33 0.00 0.00 43.42 40.51 3h1h n LEU 46 CO 0.29 -0.90 0.10 0.59 -1.33 0.00 0.00 177.39 176.14 3h1h n ASN 47 N -2.22 3.30 -4.58 -1.43 3.02 0.44 -5.09 115.26 108.68 3h1h n ASN 47 Ca -0.01 -2.94 -0.46 0.00 -0.03 0.00 0.00 54.58 51.13 3h1h n ASN 47 Cb 0.09 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 3h1h n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1h n GLU 48 N -0.65 1.29 -0.93 3.52 -0.58 -0.96 -2.26 120.64 120.06 3h1h n GLU 48 Ca 0.26 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 3h1h n GLU 48 Cb 0.89 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3h1h n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h1h n GLY 49 N 1.51 0.08 0.07 0.62 0.00 -1.26 -4.81 105.19 101.41 3h1h n GLY 49 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3h1h n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1h n LYS 50 N 0.05 1.05 -2.81 1.61 5.02 -0.96 -4.74 118.16 117.38 3h1h n LYS 50 Ca 0.00 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 3h1h n LYS 50 Cb 0.36 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 3h1h n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1h s LEU 51 N -5.10 4.11 0.27 -0.35 1.43 -1.26 -4.94 118.68 112.85 3h1h s LEU 51 Ca -0.08 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3h1h s LEU 51 Cb 0.06 -4.32 0.56 0.00 0.03 0.00 0.00 46.19 42.53 3h1h s LEU 51 CO 0.73 -0.24 1.79 -0.25 0.23 0.00 0.00 176.35 178.61 3h1h h TRP 52 N 2.44 0.92 -1.18 0.29 2.91 -1.98 0.44 115.95 119.79 3h1h h TRP 52 Ca -0.48 0.03 0.34 0.00 1.13 0.00 0.00 58.89 59.92 3h1h h TRP 52 Cb 1.18 -0.27 -0.10 0.00 -0.51 0.00 0.00 29.16 29.46 3h1h h TRP 52 CO 0.62 0.27 0.78 -0.22 -1.03 0.00 0.00 178.44 178.86 3h1h h LYS 53 N 0.76 0.22 0.00 2.65 3.64 -2.00 0.18 116.57 122.01 3h1h h LYS 53 Ca 0.49 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 3h1h h LYS 53 Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3h1h h LYS 53 CO -0.33 0.14 -0.00 0.45 -2.27 0.00 0.00 179.45 177.44 3h1h h HIS 54 N 0.22 -0.00 -0.00 1.91 3.86 -0.50 -3.37 115.15 117.27 3h1h h HIS 54 Ca 0.68 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.89 3h1h h HIS 54 Cb 2.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.51 3h1h h HIS 54 CO -0.00 0.93 -0.22 0.44 0.86 0.00 0.00 177.93 179.93 3h1h n ILE 55 N -4.64 0.00 -0.31 2.45 -5.35 -0.78 -4.39 119.36 106.34 3h1h n ILE 55 Ca -0.10 -0.06 0.16 0.00 -0.27 0.00 0.00 62.75 62.48 3h1h n ILE 55 Cb 0.45 0.06 0.34 0.00 -1.74 0.00 0.00 39.64 38.75 3h1h n ILE 55 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3h1h h LYS 56 N 0.53 0.29 -0.94 6.28 3.64 -0.84 -2.42 116.57 123.11 3h1h h LYS 56 Ca 0.00 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.55 3h1h h LYS 56 Cb 0.45 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 3h1h h LYS 56 CO 0.00 0.19 0.60 1.12 -2.27 0.00 0.00 179.45 179.10 3h1h h HIS 57 N 0.30 0.76 -0.81 1.91 2.07 -1.85 -1.78 115.15 115.74 3h1h h HIS 57 Ca 0.60 0.02 0.17 0.00 -2.85 0.00 0.00 60.37 58.31 3h1h h HIS 57 Cb 1.24 -0.23 -0.06 0.00 2.57 0.00 0.00 27.41 30.93 3h1h h HIS 57 CO -0.16 0.20 0.54 0.87 -3.07 0.00 0.00 177.93 176.31 3h1h h LYS 58 N 0.57 0.40 -0.01 5.12 1.57 -1.78 -2.53 116.57 119.91 3h1h h LYS 58 Ca 0.51 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3h1h h LYS 58 Cb 1.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3h1h h LYS 58 CO -0.25 0.26 -0.04 0.66 -0.57 0.00 0.00 179.45 179.51 3h1h n TYR 59 N -4.49 0.00 -2.45 -1.35 4.02 -0.95 -4.87 117.16 107.07 3h1h n TYR 59 Ca 0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.67 3h1h n TYR 59 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.88 3h1h n TYR 59 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3h1h s GLU 60 N -0.66 3.34 -0.49 -0.72 2.12 -0.71 -4.76 118.70 116.81 3h1h s GLU 60 Ca 0.06 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.60 3h1h s GLU 60 Cb 0.05 -5.17 0.20 0.00 0.26 0.00 0.00 34.13 29.47 3h1h s GLU 60 CO 0.10 -2.43 0.80 0.00 -0.54 0.00 0.00 175.26 173.19 3h1h n ALA 61 N 9.95 -2.09 0.04 6.30 0.00 -1.26 -4.92 120.51 128.53 3h1h n ALA 61 Ca 0.31 -0.92 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 3h1h n ALA 61 Cb 0.50 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3h1h n ALA 61 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h1h h SER 62 N 4.77 -0.09 0.00 0.00 4.64 -2.02 -3.55 113.55 117.30 3h1h h SER 62 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3h1h h SER 62 Cb 1.11 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3h1h h SER 62 CO 0.03 -0.03 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12