#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmu h SER 2 N 0.00 0.55 -3.84 1.61 0.02 -2.08 -3.46 113.55 106.35 2dmu h SER 2 Ca 0.00 -0.54 -0.14 0.00 -0.84 0.00 0.00 61.79 60.27 2dmu h SER 2 Cb 0.00 -0.16 -0.25 0.00 0.14 0.00 0.00 62.40 62.13 2dmu h SER 2 CO 0.00 0.98 -0.32 -0.44 -1.14 0.00 0.00 176.83 175.91 2dmu s SER 3 N -6.41 -0.36 0.00 3.07 0.01 -1.26 -5.15 113.70 103.61 2dmu s SER 3 Ca -0.13 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2dmu s SER 3 Cb 0.06 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.99 2dmu s SER 3 CO 0.80 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2dmu n GLY 4 N 2.93 3.92 3.78 3.44 0.00 -1.26 -5.09 105.19 112.91 2dmu n GLY 4 Ca -0.13 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 2dmu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmu s SER 5 N 0.00 6.67 0.21 1.61 0.15 -1.26 -5.07 113.70 116.02 2dmu s SER 5 Ca 0.00 0.80 -0.27 0.00 0.70 0.00 0.00 55.95 57.18 2dmu s SER 5 Cb 0.00 -2.24 -0.09 0.00 -1.71 0.00 0.00 66.02 61.99 2dmu s SER 5 CO 0.00 0.19 0.85 -0.55 1.20 0.00 0.00 173.24 174.93 2dmu s SER 6 N -0.26 7.46 0.00 5.45 0.15 -1.26 -4.01 113.70 121.23 2dmu s SER 6 Ca 0.22 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.64 2dmu s SER 6 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dmu s SER 6 CO 0.10 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2dmu n GLY 7 N 1.40 1.42 0.21 9.45 0.00 -0.69 -4.84 105.19 112.15 2dmu n GLY 7 Ca -0.03 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2dmu n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dmu h ARG 8 N 0.00 -0.43 -0.70 1.61 9.65 -2.04 -3.33 114.38 119.14 2dmu h ARG 8 Ca 0.00 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.03 2dmu h ARG 8 Cb 0.00 0.10 -0.13 0.00 -1.39 0.00 0.00 29.97 28.55 2dmu h ARG 8 CO 0.00 -0.20 -0.34 0.00 2.80 0.00 0.00 179.97 182.23 2dmu h ARG 9 N -1.07 -0.11 -4.56 0.20 -0.00 -1.89 -3.41 114.38 103.55 2dmu h ARG 9 Ca -0.05 0.01 -0.27 0.00 -0.50 0.00 0.00 59.98 59.17 2dmu h ARG 9 Cb 0.44 0.02 -0.21 0.00 0.00 0.00 0.00 29.97 30.22 2dmu h ARG 9 CO 0.08 -0.07 -0.73 -3.38 0.00 0.00 0.00 179.97 175.86 2dmu s HIS 10 N -6.00 0.67 -0.04 3.04 -3.43 -1.25 -5.10 115.29 103.19 2dmu s HIS 10 Ca -0.14 -0.53 0.04 0.00 -0.80 0.00 0.00 55.06 53.63 2dmu s HIS 10 Cb 0.17 -0.40 -0.00 0.00 -1.43 0.00 0.00 32.58 30.92 2dmu s HIS 10 CO 0.70 -0.09 -0.15 1.03 -2.00 0.00 0.00 174.74 174.23 2dmu s ARG 11 N -1.71 1.55 0.11 -0.38 0.52 -1.26 -1.70 118.95 116.08 2dmu s ARG 11 Ca -0.09 -0.52 -0.32 0.00 -0.52 0.00 0.00 55.73 54.28 2dmu s ARG 11 Cb -0.09 -1.36 -0.11 0.00 0.52 0.00 0.00 34.95 33.91 2dmu s ARG 11 CO 0.00 0.21 1.58 1.15 0.02 0.00 0.00 175.30 178.25 2dmu h THR 12 N 5.29 0.10 -3.50 0.02 2.02 -2.01 -3.40 112.91 111.43 2dmu h THR 12 Ca -0.33 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.32 2dmu h THR 12 Cb 1.17 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2dmu h THR 12 CO 0.48 0.00 0.20 -0.63 0.37 0.00 0.00 175.52 175.94 2dmu s ILE 13 N -5.87 4.52 0.60 3.11 1.01 -1.26 -5.07 121.20 118.25 2dmu s ILE 13 Ca -0.16 1.74 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 2dmu s ILE 13 Cb 0.07 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.43 2dmu s ILE 13 CO 0.63 0.43 0.85 -0.36 0.00 0.00 0.00 174.94 176.49 2dmu s PHE 14 N -0.55 2.83 0.12 3.97 0.40 -1.26 -5.09 117.98 118.41 2dmu s PHE 14 Ca 0.39 0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.70 2dmu s PHE 14 Cb -0.22 -2.89 -0.06 0.00 0.51 0.00 0.00 43.02 40.35 2dmu s PHE 14 CO 0.26 -1.06 0.49 0.95 0.70 0.00 0.00 175.22 176.56 2dmu s THR 15 N -2.91 4.95 0.21 0.64 -4.23 -1.26 -4.89 115.64 108.15 2dmu s THR 15 Ca 0.58 0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 61.67 2dmu s THR 15 Cb -0.10 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.34 2dmu s THR 15 CO 0.40 0.25 1.27 0.47 -0.54 0.00 0.00 174.62 176.47 2dmu n ASP 16 N 0.81 -0.39 0.12 3.99 9.92 -1.26 0.29 116.55 130.03 2dmu n ASP 16 Ca -0.06 1.41 -0.13 0.00 -0.53 0.00 0.00 54.79 55.47 2dmu n ASP 16 Cb 0.52 -0.38 -0.06 0.00 -0.64 0.00 0.00 41.12 40.56 2dmu n ASP 16 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2dmu h GLU 17 N 0.00 -0.55 -0.22 -1.24 4.81 -1.99 0.23 114.58 115.63 2dmu h GLU 17 Ca 0.35 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2dmu h GLU 17 Cb 0.55 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.98 2dmu h GLU 17 CO -0.82 -0.36 -0.27 1.96 -0.73 0.00 0.00 179.01 178.78 2dmu h GLN 18 N -0.57 -0.29 -0.75 1.92 4.20 -0.46 -1.31 115.11 117.85 2dmu h GLN 18 Ca 0.03 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2dmu h GLN 18 Cb 0.59 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 2dmu h GLN 18 CO -0.19 -0.19 0.46 -0.07 -0.67 0.00 0.00 178.83 178.17 2dmu h LEU 19 N -0.30 0.73 -0.46 1.46 3.38 -0.83 -1.61 115.31 117.69 2dmu h LEU 19 Ca 0.13 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2dmu h LEU 19 Cb 0.50 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2dmu h LEU 19 CO -0.39 0.49 0.03 -0.08 0.09 0.00 0.00 178.44 178.58 2dmu h GLU 20 N 0.87 0.15 0.01 1.13 4.81 0.54 0.77 114.58 122.85 2dmu h GLU 20 Ca 0.32 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2dmu h GLU 20 Cb 0.10 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2dmu h GLU 20 CO -0.14 0.10 -0.00 0.00 -0.73 0.00 0.00 179.01 178.23 2dmu h ALA 21 N 1.39 -0.01 -0.62 2.92 0.00 -0.81 0.80 119.26 122.93 2dmu h ALA 21 Ca 0.23 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2dmu h ALA 21 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2dmu h ALA 21 CO -0.35 -0.41 0.23 -0.07 0.00 0.00 0.00 179.25 178.65 2dmu h LEU 22 N -0.21 0.22 -0.35 0.00 3.38 -0.83 0.21 115.31 117.73 2dmu h LEU 22 Ca -0.00 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2dmu h LEU 22 Cb 0.20 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2dmu h LEU 22 CO 0.00 0.13 -0.22 -0.33 0.09 0.00 0.00 178.44 178.11 2dmu h GLU 23 N 0.41 0.77 -0.91 1.13 5.08 -0.76 0.27 114.58 120.57 2dmu h GLU 23 Ca 0.31 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2dmu h GLU 23 Cb 0.39 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2dmu h GLU 23 CO -0.31 0.98 0.53 -0.91 -1.00 0.00 0.00 179.01 178.29 2dmu h ASN 24 N 0.55 1.11 0.08 1.42 2.35 -0.01 0.25 115.58 121.32 2dmu h ASN 24 Ca 0.07 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 2dmu h ASN 24 Cb 0.78 -0.28 0.02 0.00 0.05 0.00 0.00 38.32 38.89 2dmu h ASN 24 CO 0.06 0.86 -0.68 0.25 -1.65 0.00 0.00 177.43 176.28 2dmu h LEU 25 N 1.26 0.46 -1.45 1.61 5.85 -0.55 -3.07 115.31 119.42 2dmu h LEU 25 Ca 0.32 -0.87 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 2dmu h LEU 25 Cb -0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2dmu h LEU 25 CO -0.06 1.29 0.05 0.15 -0.34 0.00 0.00 178.44 179.53 2dmu h PHE 26 N -0.30 0.41 -0.06 1.25 3.04 -0.34 -0.42 116.94 120.52 2dmu h PHE 26 Ca -0.11 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2dmu h PHE 26 Cb 1.46 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.85 2dmu h PHE 26 CO 0.18 0.38 -0.00 1.96 -2.02 0.00 0.00 178.31 178.81 2dmu h GLN 27 N 0.40 0.11 -0.41 1.11 1.08 -0.57 -3.13 115.11 113.71 2dmu h GLN 27 Ca 0.10 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2dmu h GLN 27 Cb 0.19 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2dmu h GLN 27 CO -0.00 0.39 -0.15 1.05 -0.95 0.00 0.00 178.83 179.17 2dmu h GLU 28 N -0.18 0.75 -4.21 1.46 4.11 -1.40 -3.44 114.58 111.67 2dmu h GLU 28 Ca 0.02 -0.27 -0.31 0.00 0.07 0.00 0.00 59.36 58.87 2dmu h GLU 28 Cb 0.34 -0.05 -0.29 0.00 0.50 0.00 0.00 28.75 29.25 2dmu h GLU 28 CO 0.00 0.86 -0.75 -0.08 0.07 0.00 0.00 179.01 179.11 2dmu s THR 29 N -4.72 0.35 0.03 -1.06 -1.32 -0.19 -5.05 115.64 103.69 2dmu s THR 29 Ca -0.09 -0.18 -0.17 0.00 -1.21 0.00 0.00 61.69 60.03 2dmu s THR 29 Cb 0.14 -0.31 -0.25 0.00 -1.51 0.00 0.00 72.50 70.57 2dmu s THR 29 CO 0.82 0.10 1.11 0.11 -2.21 0.00 0.00 174.62 174.56 2dmu h LYS 30 N 6.09 0.54 -3.62 7.08 1.79 -1.84 -3.33 116.57 123.29 2dmu h LYS 30 Ca -0.28 -0.63 -0.58 0.00 -2.18 0.00 0.00 60.65 56.98 2dmu h LYS 30 Cb 1.19 0.19 -0.40 0.00 -1.58 0.00 0.00 32.23 31.63 2dmu h LYS 30 CO 0.50 1.25 -0.76 0.71 -1.08 0.00 0.00 179.45 180.07 2dmu s TYR 31 N -3.13 1.68 1.09 -1.35 1.51 -1.26 -4.98 117.35 110.91 2dmu s TYR 31 Ca -0.11 -1.63 -0.18 0.00 -1.01 0.00 0.00 57.07 54.13 2dmu s TYR 31 Cb 0.05 -1.63 0.27 0.00 -0.11 0.00 0.00 41.96 40.54 2dmu s TYR 31 CO 0.88 -0.84 0.97 -0.35 -1.11 0.00 0.00 175.55 175.10 2dmu n PRO 32 N 4.86 -2.90 -4.17 -1.71 -0.04 -1.26 -5.07 135.00 124.70 2dmu n PRO 32 Ca -0.03 -1.55 -0.27 0.00 -0.04 0.00 0.00 63.50 61.61 2dmu n PRO 32 Cb 0.43 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 2dmu n PRO 32 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dmu s ASP 33 N -4.11 4.89 0.31 3.54 1.01 -1.26 -4.98 116.67 116.07 2dmu s ASP 33 Ca 0.63 -0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.64 2dmu s ASP 33 Cb -0.06 -1.10 0.86 0.00 1.01 0.00 0.00 42.92 43.63 2dmu s ASP 33 CO 0.48 0.11 1.65 1.62 0.21 0.00 0.00 175.17 179.24 2dmu h VAL 34 N 2.55 0.30 0.46 -1.27 3.04 -1.99 0.44 116.25 119.78 2dmu h VAL 34 Ca -0.47 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 2dmu h VAL 34 Cb 1.19 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2dmu h VAL 34 CO 0.59 0.04 -0.28 1.23 -1.01 0.00 0.00 177.57 178.14 2dmu h GLY 35 N 0.24 -0.75 0.94 3.17 0.00 -2.00 -1.31 103.07 103.36 2dmu h GLY 35 Ca 0.63 0.32 0.02 0.00 0.00 0.00 0.00 47.33 48.29 2dmu h GLY 35 CO -0.65 -0.28 0.63 -0.84 0.00 0.00 0.00 176.54 175.40 2dmu h THR 36 N -0.71 1.21 -0.46 4.70 2.02 -1.54 -2.37 112.91 115.76 2dmu h THR 36 Ca -0.05 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.72 2dmu h THR 36 Cb 0.58 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2dmu h THR 36 CO 0.05 0.23 0.26 0.03 0.37 0.00 0.00 175.52 176.46 2dmu h ARG 37 N 1.26 0.50 0.26 6.66 3.08 -0.76 0.10 114.38 125.48 2dmu h ARG 37 Ca 0.37 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2dmu h ARG 37 Cb -0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 2dmu h ARG 37 CO -0.10 0.33 -0.16 0.93 -1.07 0.00 0.00 179.97 179.90 2dmu h GLU 38 N 0.52 -0.39 0.46 0.04 5.08 -0.77 -0.82 114.58 118.70 2dmu h GLU 38 Ca 0.19 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2dmu h GLU 38 Cb 0.05 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dmu h GLU 38 CO -0.10 -0.26 -0.27 1.96 -1.00 0.00 0.00 179.01 179.33 2dmu h GLN 39 N -0.40 -0.67 -0.63 2.33 1.08 -1.23 -2.75 115.11 112.84 2dmu h GLN 39 Ca -0.02 0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.35 2dmu h GLN 39 Cb 0.34 0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 27.81 2dmu h GLN 39 CO 0.02 -0.45 -0.02 1.25 -0.95 0.00 0.00 178.83 178.69 2dmu h LEU 40 N -0.70 -0.31 -0.04 1.46 5.85 -0.75 -0.76 115.31 120.06 2dmu h LEU 40 Ca -0.05 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2dmu h LEU 40 Cb 0.57 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2dmu h LEU 40 CO 0.06 -0.13 -0.30 0.00 -0.34 0.00 0.00 178.44 177.73 2dmu h ALA 41 N 1.58 -0.72 -0.89 1.25 0.00 -0.92 0.18 119.26 119.73 2dmu h ALA 41 Ca 0.33 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.39 2dmu h ALA 41 Cb 0.53 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 2dmu h ALA 41 CO -0.55 -0.82 0.59 0.00 0.00 0.00 0.00 179.25 178.47 2dmu h ARG 42 N -0.35 0.43 -0.53 0.00 3.08 -1.16 0.46 114.38 116.31 2dmu h ARG 42 Ca 0.01 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2dmu h ARG 42 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2dmu h ARG 42 CO -0.22 0.29 -0.02 -0.22 -1.07 0.00 0.00 179.97 178.73 2dmu h LYS 43 N 0.45 0.91 -0.57 0.04 3.64 0.32 -2.57 116.57 118.79 2dmu h LYS 43 Ca 0.47 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2dmu h LYS 43 Cb 1.10 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2dmu h LYS 43 CO -0.18 0.92 0.00 1.33 -2.27 0.00 0.00 179.45 179.24 2dmu n VAL 44 N -4.19 0.76 -3.48 2.00 0.24 0.48 -4.94 118.33 109.20 2dmu n VAL 44 Ca 0.03 -0.81 -0.20 0.00 -2.04 0.00 0.00 64.34 61.32 2dmu n VAL 44 Cb 0.33 0.52 0.08 0.00 -1.47 0.00 0.00 33.84 33.31 2dmu n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2dmu n HIS 45 N 1.34 -2.45 -4.33 6.34 8.25 0.13 -4.75 115.22 119.76 2dmu n HIS 45 Ca 0.21 0.96 -0.17 0.00 -0.26 0.00 0.00 57.72 58.45 2dmu n HIS 45 Cb 0.54 -5.00 -0.10 0.00 1.12 0.00 0.00 29.99 26.55 2dmu n HIS 45 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dmu s LEU 46 N -6.67 1.66 -0.09 2.41 1.43 0.54 -4.98 118.68 112.99 2dmu s LEU 46 Ca 0.25 -1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 51.76 2dmu s LEU 46 Cb -0.11 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 2dmu s LEU 46 CO 0.72 -0.75 0.46 -0.13 0.23 0.00 0.00 176.35 176.88 2dmu s ARG 47 N -4.00 4.26 0.27 1.70 0.52 -1.26 -3.57 118.95 116.87 2dmu s ARG 47 Ca 0.37 0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.98 2dmu s ARG 47 Cb 0.07 -3.39 0.51 0.00 0.52 0.00 0.00 34.95 32.67 2dmu s ARG 47 CO 0.14 0.28 1.48 -1.91 0.02 0.00 0.00 175.30 175.30 2dmu n GLU 48 N 3.25 -0.08 -0.16 3.54 0.00 -1.26 0.54 120.64 126.47 2dmu n GLU 48 Ca -0.09 1.46 -0.03 0.00 0.00 0.00 0.00 57.16 58.50 2dmu n GLU 48 Cb 0.52 -2.22 0.03 0.00 0.00 0.00 0.00 31.44 29.77 2dmu n GLU 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dmu h GLU 49 N 0.00 -0.05 -0.50 5.31 4.81 -1.93 -0.78 114.58 121.44 2dmu h GLU 49 Ca 0.49 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.75 2dmu h GLU 49 Cb 0.83 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 2dmu h GLU 49 CO -0.95 -0.03 0.27 0.87 -0.73 0.00 0.00 179.01 178.44 2dmu h LYS 50 N -0.05 0.52 -0.77 1.92 1.79 -0.30 -2.39 116.57 117.29 2dmu h LYS 50 Ca 0.24 -0.03 0.18 0.00 -2.18 0.00 0.00 60.65 58.86 2dmu h LYS 50 Cb 0.42 -0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 30.82 2dmu h LYS 50 CO -0.54 0.35 0.06 0.28 -1.08 0.00 0.00 179.45 178.51 2dmu h VAL 51 N 0.54 0.36 -0.45 0.50 2.07 -0.47 0.77 116.25 119.57 2dmu h VAL 51 Ca 0.21 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 2dmu h VAL 51 Cb 0.08 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2dmu h VAL 51 CO -0.13 0.03 0.15 -0.08 0.02 0.00 0.00 177.57 177.56 2dmu h GLU 52 N 0.14 0.69 -0.09 1.57 4.57 -1.08 -3.05 114.58 117.33 2dmu h GLU 52 Ca 0.43 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2dmu h GLU 52 Cb 0.77 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 2dmu h GLU 52 CO -0.64 0.66 -0.44 0.28 -1.18 0.00 0.00 179.01 177.69 2dmu h VAL 53 N 0.59 0.00 -0.64 0.32 2.07 -0.51 -1.57 116.25 116.51 2dmu h VAL 53 Ca 0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.78 2dmu h VAL 53 Cb 0.24 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.89 2dmu h VAL 53 CO -0.01 0.00 -0.30 -0.25 0.02 0.00 0.00 177.57 177.03 2dmu h TRP 54 N -0.48 -0.80 -0.90 1.57 7.01 -1.42 0.29 115.95 121.21 2dmu h TRP 54 Ca 0.02 0.07 0.20 0.00 2.11 0.00 0.00 58.89 61.29 2dmu h TRP 54 Cb 0.55 0.45 -0.11 0.00 -2.10 0.00 0.00 29.16 27.95 2dmu h TRP 54 CO -0.55 -0.37 0.45 0.74 -2.79 0.00 0.00 178.44 175.93 2dmu h PHE 55 N -0.12 0.77 -0.29 2.65 -1.00 -1.29 0.34 116.94 118.01 2dmu h PHE 55 Ca 0.27 0.04 -0.08 0.00 2.81 0.00 0.00 57.97 61.00 2dmu h PHE 55 Cb 0.55 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2dmu h PHE 55 CO -0.63 0.06 -0.13 0.87 -1.61 0.00 0.00 178.31 176.87 2dmu h LYS 56 N 0.53 0.59 0.00 1.51 1.57 0.45 -0.87 116.57 120.35 2dmu h LYS 56 Ca 0.54 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2dmu h LYS 56 Cb 0.94 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2dmu h LYS 56 CO -0.46 0.83 -0.25 -0.91 -0.57 0.00 0.00 179.45 178.09 2dmu h ASN 57 N 0.34 0.00 0.08 0.86 2.35 0.85 -0.73 115.58 119.33 2dmu h ASN 57 Ca 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2dmu h ASN 57 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2dmu h ASN 57 CO 0.04 0.25 -0.04 -0.09 -1.65 0.00 0.00 177.43 175.94 2dmu h ARG 58 N 0.00 -0.11 -0.91 0.81 9.65 -0.24 -3.32 114.38 120.26 2dmu h ARG 58 Ca -0.00 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2dmu h ARG 58 Cb 0.47 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 2dmu h ARG 58 CO 0.03 0.31 0.58 0.07 2.80 0.00 0.00 179.97 183.76 2dmu h ARG 59 N -0.96 1.05 -0.80 0.20 0.11 -1.13 -2.45 114.38 110.40 2dmu h ARG 59 Ca -0.01 -0.06 0.17 0.00 0.10 0.00 0.00 59.98 60.18 2dmu h ARG 59 Cb 0.47 -0.24 -0.15 0.00 1.11 0.00 0.00 29.97 31.16 2dmu h ARG 59 CO 0.02 0.70 -0.12 0.00 0.10 0.00 0.00 179.97 180.66 2dmu h ALA 60 N 1.41 0.65 -0.46 0.08 0.00 -1.25 0.28 119.26 119.97 2dmu h ALA 60 Ca 0.38 0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.50 2dmu h ALA 60 Cb 0.11 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2dmu h ALA 60 CO -0.15 -0.42 -0.05 -0.22 0.00 0.00 0.00 179.25 178.40 2dmu h LYS 61 N 0.03 0.85 0.81 0.00 3.64 -1.54 -2.37 116.57 117.99 2dmu h LYS 61 Ca 0.41 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2dmu h LYS 61 Cb 0.67 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2dmu h LYS 61 CO -0.78 0.93 -0.46 2.35 -2.27 0.00 0.00 179.45 179.22 2dmu h TRP 62 N 0.69 -1.21 -0.95 1.91 7.01 -0.43 0.49 115.95 123.46 2dmu h TRP 62 Ca 0.12 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.28 2dmu h TRP 62 Cb 0.58 0.42 -0.08 0.00 -2.10 0.00 0.00 29.16 27.98 2dmu h TRP 62 CO 0.04 -0.70 0.60 0.07 -2.79 0.00 0.00 178.44 175.66 2dmu h ARG 63 N -1.18 0.65 -0.36 2.65 0.11 -0.66 -0.73 114.38 114.87 2dmu h ARG 63 Ca -0.11 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.86 2dmu h ARG 63 Cb 0.93 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2dmu h ARG 63 CO 0.13 0.43 -0.05 0.00 0.10 0.00 0.00 179.97 180.58 2dmu h ARG 64 N 0.67 0.67 -2.02 0.08 2.47 -1.05 -3.47 114.38 111.73 2dmu h ARG 64 Ca 0.50 -0.24 0.04 0.00 -1.26 0.00 0.00 59.98 59.02 2dmu h ARG 64 Cb 0.89 -0.05 -0.19 0.00 -1.65 0.00 0.00 29.97 28.97 2dmu h ARG 64 CO -0.26 0.81 0.40 0.45 0.56 0.00 0.00 179.97 181.93 2dmu s SER 65 N -6.24 -0.47 -0.02 7.04 0.15 0.13 -5.10 113.70 109.20 2dmu s SER 65 Ca -0.13 0.34 -0.28 0.00 0.70 0.00 0.00 55.95 56.58 2dmu s SER 65 Cb 0.09 0.42 0.09 0.00 -1.71 0.00 0.00 66.02 64.92 2dmu s SER 65 CO 0.79 -0.55 1.29 -0.83 1.20 0.00 0.00 173.24 175.14 2dmu s GLY 66 N -1.66 -0.12 0.54 9.45 0.00 -1.25 -3.88 107.32 110.40 2dmu s GLY 66 Ca -0.02 0.02 0.33 0.00 0.00 0.00 0.00 44.72 45.05 2dmu s GLY 66 CO -0.00 5.78 1.99 -0.56 0.00 0.00 0.00 173.10 180.30 2dmu h PRO 67 N 2.00 0.00 -0.55 2.90 0.13 -1.94 -3.13 132.00 131.40 2dmu h PRO 67 Ca -0.22 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.94 2dmu h PRO 67 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2dmu h PRO 67 CO 0.31 0.03 0.34 1.03 -0.23 0.00 0.00 178.00 179.48 2dmu h SER 68 N 0.00 0.55 -0.66 1.44 0.87 -1.97 -2.47 113.55 111.31 2dmu h SER 68 Ca -0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 2dmu h SER 68 Cb 0.51 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.27 2dmu h SER 68 CO 0.00 0.39 0.22 -1.28 -0.53 0.00 0.00 176.83 175.63 2dmu h SER 69 N 0.67 0.18 0.00 6.23 0.87 -1.96 -3.56 113.55 115.98 2dmu h SER 69 Ca 0.22 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2dmu h SER 69 Cb 0.01 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2dmu h SER 69 CO -0.09 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.90