#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmu s SER 2 N 0.00 6.61 -1.37 1.61 0.01 -1.26 -4.21 113.70 115.09 2dmu s SER 2 Ca 0.00 0.72 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2dmu s SER 2 Cb 0.00 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.03 2dmu s SER 2 CO 0.00 0.13 1.07 -0.24 0.41 0.00 0.00 173.24 174.62 2dmu n SER 3 N 3.11 -4.94 -4.89 2.44 2.88 -1.26 -4.98 113.62 105.98 2dmu n SER 3 Ca -0.11 -0.63 -0.28 0.00 -1.33 0.00 0.00 58.87 56.51 2dmu n SER 3 Cb 0.52 -4.69 0.09 0.00 -0.75 0.00 0.00 64.21 59.38 2dmu n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmu s GLY 4 N -3.56 1.61 0.46 0.46 0.00 -1.26 -5.10 107.32 99.93 2dmu s GLY 4 Ca 0.47 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.53 2dmu s GLY 4 CO 0.76 -0.25 0.19 -0.56 0.00 0.00 0.00 173.10 173.25 2dmu s SER 5 N -4.57 4.40 -0.06 1.64 0.01 -1.26 -5.07 113.70 108.78 2dmu s SER 5 Ca 0.62 -1.22 -0.14 0.00 1.31 0.00 0.00 55.95 56.52 2dmu s SER 5 Cb -0.11 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 2dmu s SER 5 CO 0.48 -0.71 0.36 -0.44 0.41 0.00 0.00 173.24 173.35 2dmu s SER 6 N -3.97 6.67 0.00 2.44 0.01 -1.26 -4.95 113.70 112.64 2dmu s SER 6 Ca 0.34 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.39 2dmu s SER 6 Cb 0.03 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2dmu s SER 6 CO 0.19 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2dmu n GLY 7 N 2.34 -0.75 2.87 3.44 0.00 -1.26 -5.01 105.19 106.82 2dmu n GLY 7 Ca -0.13 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 2dmu n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dmu n ARG 8 N -1.65 -2.93 -3.69 1.61 1.85 -1.26 -4.92 116.66 105.66 2dmu n ARG 8 Ca 0.00 0.55 -0.10 0.00 -1.00 0.00 0.00 57.85 57.29 2dmu n ARG 8 Cb 0.00 -5.21 -0.10 0.00 -1.05 0.00 0.00 32.46 26.10 2dmu n ARG 8 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2dmu s ARG 9 N -5.49 0.43 0.71 2.89 1.70 -1.26 -5.17 118.95 112.76 2dmu s ARG 9 Ca 0.19 0.83 -0.03 0.00 -0.47 0.00 0.00 55.73 56.24 2dmu s ARG 9 Cb -0.10 0.01 0.10 0.00 -0.57 0.00 0.00 34.95 34.39 2dmu s ARG 9 CO 0.23 -0.15 0.99 -1.01 -1.08 0.00 0.00 175.30 174.28 2dmu s HIS 10 N 1.37 2.10 -0.16 5.89 3.76 -1.26 -5.06 115.29 121.93 2dmu s HIS 10 Ca -0.09 -0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 2dmu s HIS 10 Cb -0.08 -3.11 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 2dmu s HIS 10 CO -0.13 -1.59 -0.18 0.54 -0.85 0.00 0.00 174.74 172.53 2dmu n ARG 11 N -2.86 0.48 -4.44 1.40 1.74 -1.26 -4.99 116.66 106.73 2dmu n ARG 11 Ca 0.12 0.46 -0.29 0.00 -0.77 0.00 0.00 57.85 57.38 2dmu n ARG 11 Cb 0.60 -1.64 -0.13 0.00 -1.02 0.00 0.00 32.46 30.27 2dmu n ARG 11 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dmu s THR 12 N -2.39 2.25 0.08 0.55 2.01 -1.26 -5.13 115.64 111.76 2dmu s THR 12 Ca -0.20 -1.72 -0.14 0.00 0.31 0.00 0.00 61.69 59.94 2dmu s THR 12 Cb 0.03 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 2dmu s THR 12 CO 0.30 0.12 0.48 -0.63 -0.69 0.00 0.00 174.62 174.20 2dmu s ILE 13 N -1.04 4.94 0.09 1.82 1.09 -1.26 -5.09 121.20 121.75 2dmu s ILE 13 Ca 0.14 0.79 0.02 0.00 -1.10 0.00 0.00 60.65 60.50 2dmu s ILE 13 Cb -0.10 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 2dmu s ILE 13 CO 0.06 0.38 0.19 -0.36 -0.10 0.00 0.00 174.94 175.11 2dmu s PHE 14 N -1.31 3.41 1.03 3.97 0.40 -1.26 -5.11 117.98 119.11 2dmu s PHE 14 Ca 0.32 0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 56.65 2dmu s PHE 14 Cb -0.16 -1.69 0.22 0.00 0.51 0.00 0.00 43.02 41.90 2dmu s PHE 14 CO 0.17 0.56 1.24 0.95 0.70 0.00 0.00 175.22 178.84 2dmu s THR 15 N -1.54 1.87 0.12 0.64 -4.23 -1.26 -4.79 115.64 106.45 2dmu s THR 15 Ca 0.33 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.65 2dmu s THR 15 Cb -0.12 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 2dmu s THR 15 CO 0.26 0.00 1.74 0.44 -0.54 0.00 0.00 174.62 176.52 2dmu h ASP 16 N -1.91 0.28 -0.14 3.99 3.32 -1.99 -1.48 116.42 118.49 2dmu h ASP 16 Ca -0.45 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2dmu h ASP 16 Cb 1.26 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2dmu h ASP 16 CO 0.40 0.26 0.09 1.05 -1.72 0.00 0.00 179.24 179.31 2dmu h GLU 17 N 0.29 0.18 0.03 3.56 4.11 -1.97 0.27 114.58 121.05 2dmu h GLU 17 Ca 0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.53 2dmu h GLU 17 Cb 0.03 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2dmu h GLU 17 CO -0.02 0.12 -0.21 1.96 0.07 0.00 0.00 179.01 180.94 2dmu h GLN 18 N 0.18 -0.33 -0.36 1.06 4.20 -1.79 0.20 115.11 118.26 2dmu h GLN 18 Ca 0.05 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2dmu h GLN 18 Cb -0.02 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2dmu h GLN 18 CO -0.02 -0.22 0.17 -0.07 -0.67 0.00 0.00 178.83 178.02 2dmu h LEU 19 N -0.35 0.48 -0.15 1.46 3.38 -1.13 -0.39 115.31 118.60 2dmu h LEU 19 Ca 0.05 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2dmu h LEU 19 Cb 0.41 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2dmu h LEU 19 CO -0.17 0.47 -0.04 -0.08 0.09 0.00 0.00 178.44 178.71 2dmu h GLU 20 N 0.44 -0.00 0.06 1.13 4.81 -0.12 0.26 114.58 121.15 2dmu h GLU 20 Ca 0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2dmu h GLU 20 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2dmu h GLU 20 CO -0.01 -0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 178.24 2dmu h ALA 21 N 1.15 -0.07 -0.64 2.92 0.00 -0.48 0.36 119.26 122.49 2dmu h ALA 21 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2dmu h ALA 21 Cb 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2dmu h ALA 21 CO -0.16 -0.50 0.38 -0.07 0.00 0.00 0.00 179.25 178.90 2dmu h LEU 22 N -0.16 0.59 -0.39 0.00 3.38 -0.85 0.19 115.31 118.06 2dmu h LEU 22 Ca -0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2dmu h LEU 22 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2dmu h LEU 22 CO 0.01 0.40 -0.29 -0.33 0.09 0.00 0.00 178.44 178.32 2dmu h GLU 23 N 0.72 0.90 -0.81 1.13 5.08 -0.32 0.28 114.58 121.56 2dmu h GLU 23 Ca 0.27 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2dmu h GLU 23 Cb 0.09 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2dmu h GLU 23 CO -0.14 1.09 0.40 -0.91 -1.00 0.00 0.00 179.01 178.45 2dmu h ASN 24 N 0.71 1.04 0.06 1.42 2.35 0.22 0.22 115.58 121.60 2dmu h ASN 24 Ca 0.08 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2dmu h ASN 24 Cb 0.87 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.99 2dmu h ASN 24 CO 0.08 0.87 -0.37 0.25 -1.65 0.00 0.00 177.43 176.60 2dmu h LEU 25 N 1.14 0.22 -1.33 1.61 5.85 -0.89 -3.20 115.31 118.71 2dmu h LEU 25 Ca 0.28 -0.97 0.01 0.00 0.84 0.00 0.00 57.88 58.04 2dmu h LEU 25 Cb 0.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2dmu h LEU 25 CO -0.04 1.17 0.44 0.15 -0.34 0.00 0.00 178.44 179.82 2dmu h PHE 26 N -0.70 0.84 0.86 1.25 3.04 -0.39 -0.38 116.94 121.48 2dmu h PHE 26 Ca -0.06 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 2dmu h PHE 26 Cb 1.28 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 39.51 2dmu h PHE 26 CO 0.24 0.54 -0.43 1.96 -2.02 0.00 0.00 178.31 178.60 2dmu h GLN 27 N 0.91 -1.13 -0.32 1.11 1.08 -0.67 -3.17 115.11 112.92 2dmu h GLN 27 Ca 0.24 0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.55 2dmu h GLN 27 Cb -0.10 0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2dmu h GLN 27 CO -0.05 -0.75 0.14 1.05 -0.95 0.00 0.00 178.83 178.27 2dmu h GLU 28 N -1.17 0.29 -5.33 1.46 4.11 -1.52 -3.43 114.58 109.00 2dmu h GLU 28 Ca -0.12 -0.02 -0.48 0.00 0.07 0.00 0.00 59.36 58.81 2dmu h GLU 28 Cb 0.90 -0.07 -0.28 0.00 0.50 0.00 0.00 28.75 29.80 2dmu h GLU 28 CO 0.19 0.19 -0.81 -0.08 0.07 0.00 0.00 179.01 178.57 2dmu s THR 29 N -6.16 1.13 0.08 -1.06 -1.32 -0.16 -5.04 115.64 103.11 2dmu s THR 29 Ca -0.13 -0.69 -0.13 0.00 -1.21 0.00 0.00 61.69 59.53 2dmu s THR 29 Cb 0.11 -0.96 -0.22 0.00 -1.51 0.00 0.00 72.50 69.92 2dmu s THR 29 CO 0.71 0.26 1.22 0.11 -2.21 0.00 0.00 174.62 174.70 2dmu h LYS 30 N 5.61 0.69 -3.58 7.08 1.79 -1.81 -3.27 116.57 123.08 2dmu h LYS 30 Ca -0.35 -0.72 -0.57 0.00 -2.18 0.00 0.00 60.65 56.83 2dmu h LYS 30 Cb 1.16 0.20 -0.40 0.00 -1.58 0.00 0.00 32.23 31.61 2dmu h LYS 30 CO 0.48 1.30 -0.76 0.71 -1.08 0.00 0.00 179.45 180.10 2dmu s TYR 31 N -3.37 1.61 0.61 -1.35 1.51 -1.26 -4.91 117.35 110.18 2dmu s TYR 31 Ca -0.09 -1.59 -0.10 0.00 -1.01 0.00 0.00 57.07 54.28 2dmu s TYR 31 Cb 0.07 -1.59 0.15 0.00 -0.11 0.00 0.00 41.96 40.49 2dmu s TYR 31 CO 0.92 -0.83 0.55 -0.35 -1.11 0.00 0.00 175.55 174.72 2dmu n PRO 32 N 4.88 -2.08 -3.76 -1.71 -0.04 -1.26 -5.09 135.00 125.94 2dmu n PRO 32 Ca -0.04 -0.87 -0.24 0.00 -0.04 0.00 0.00 63.50 62.31 2dmu n PRO 32 Cb 0.43 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 33.06 2dmu n PRO 32 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dmu s ASP 33 N -2.98 4.75 0.15 3.54 2.15 -1.26 -4.96 116.67 118.06 2dmu s ASP 33 Ca 0.35 -1.09 -0.14 0.00 0.43 0.00 0.00 52.55 52.11 2dmu s ASP 33 Cb -0.03 0.10 0.03 0.00 -0.30 0.00 0.00 42.92 42.71 2dmu s ASP 33 CO 0.27 -0.97 1.67 1.62 -0.17 0.00 0.00 175.17 177.59 2dmu h VAL 34 N 0.83 1.23 -0.46 1.11 3.04 -1.98 0.61 116.25 120.63 2dmu h VAL 34 Ca -0.38 -0.78 -0.03 0.00 -1.01 0.00 0.00 66.70 64.50 2dmu h VAL 34 Cb 1.29 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 2dmu h VAL 34 CO 0.57 0.28 0.16 1.23 -1.01 0.00 0.00 177.57 178.81 2dmu h GLY 35 N 0.66 0.71 0.91 3.17 0.00 -1.99 0.11 103.07 106.64 2dmu h GLY 35 Ca 0.16 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 2dmu h GLY 35 CO -0.00 0.34 -0.93 -0.84 0.00 0.00 0.00 176.54 175.11 2dmu h THR 36 N 0.66 1.41 -0.16 4.70 2.02 -1.90 -3.11 112.91 116.52 2dmu h THR 36 Ca 0.16 -2.40 -0.02 0.00 0.77 0.00 0.00 66.41 64.92 2dmu h THR 36 Cb 0.17 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2dmu h THR 36 CO -0.01 0.70 0.02 0.03 0.37 0.00 0.00 175.52 176.63 2dmu h ARG 37 N -0.08 0.27 -0.46 6.66 3.08 -0.72 -0.23 114.38 122.91 2dmu h ARG 37 Ca -0.15 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 59.91 2dmu h ARG 37 Cb 1.67 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.62 2dmu h ARG 37 CO 0.18 0.45 0.05 0.93 -1.07 0.00 0.00 179.97 180.51 2dmu h GLU 38 N 0.05 0.17 0.18 0.04 5.08 -0.91 0.15 114.58 119.35 2dmu h GLU 38 Ca 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2dmu h GLU 38 Cb 0.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dmu h GLU 38 CO 0.00 0.11 -0.09 1.96 -1.00 0.00 0.00 179.01 180.00 2dmu h GLN 39 N 0.17 -0.24 -0.56 2.33 4.20 -1.47 -2.97 115.11 116.58 2dmu h GLN 39 Ca 0.23 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.06 2dmu h GLN 39 Cb 0.31 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.06 2dmu h GLN 39 CO -0.33 0.08 0.03 1.25 -0.67 0.00 0.00 178.83 179.19 2dmu h LEU 40 N -0.58 -0.19 0.03 1.46 5.85 -0.72 0.84 115.31 122.00 2dmu h LEU 40 Ca -0.03 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2dmu h LEU 40 Cb 0.43 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2dmu h LEU 40 CO 0.04 -0.07 -0.23 0.00 -0.34 0.00 0.00 178.44 177.84 2dmu h ALA 41 N 1.49 -0.73 -0.73 1.25 0.00 -0.70 0.25 119.26 120.10 2dmu h ALA 41 Ca 0.29 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.30 2dmu h ALA 41 Cb 0.44 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2dmu h ALA 41 CO -0.45 -0.79 0.49 0.00 0.00 0.00 0.00 179.25 178.50 2dmu h ARG 42 N -0.31 0.35 -0.57 0.00 2.47 -1.32 0.24 114.38 115.24 2dmu h ARG 42 Ca 0.00 -0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 2dmu h ARG 42 Cb 0.32 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 2dmu h ARG 42 CO -0.13 0.23 -0.01 -0.22 0.56 0.00 0.00 179.97 180.40 2dmu h LYS 43 N 0.36 1.00 -0.63 0.04 1.63 0.22 -2.59 116.57 116.60 2dmu h LYS 43 Ca 0.36 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2dmu h LYS 43 Cb 0.87 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2dmu h LYS 43 CO -0.10 0.98 0.00 1.33 -3.45 0.00 0.00 179.45 178.21 2dmu n VAL 44 N -4.18 1.08 -3.58 2.00 0.24 0.79 -4.94 118.33 109.74 2dmu n VAL 44 Ca 0.03 -0.90 -0.20 0.00 -2.04 0.00 0.00 64.34 61.23 2dmu n VAL 44 Cb 0.34 0.30 0.06 0.00 -1.47 0.00 0.00 33.84 33.08 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 1.22 -2.20 -4.37 6.34 8.25 0.50 -4.66 115.22 120.29 2dmu n HIS 45 Ca 0.21 0.91 -0.21 0.00 -0.26 0.00 0.00 57.72 58.38 2dmu n HIS 45 Cb 0.61 -4.76 -0.08 0.00 1.12 0.00 0.00 29.99 26.88 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 -6.66 1.80 0.06 2.41 1.43 0.53 -4.98 118.68 113.27 2dmu s LEU 46 Ca 0.13 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.54 2dmu s LEU 46 Cb -0.06 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.38 2dmu s LEU 46 CO 0.77 -0.99 0.21 -0.13 0.23 0.00 0.00 176.35 176.44 2dmu s ARG 47 N -3.62 3.44 0.19 1.70 0.52 -1.26 -3.73 118.95 116.19 2dmu s ARG 47 Ca 0.34 -0.45 -0.11 0.00 -0.52 0.00 0.00 55.73 54.99 2dmu s ARG 47 Cb 0.03 -3.04 0.20 0.00 0.52 0.00 0.00 34.95 32.66 2dmu s ARG 47 CO 0.21 0.61 1.77 0.93 0.02 0.00 0.00 175.30 178.84 2dmu h GLU 48 N 3.04 0.48 -0.42 3.54 3.07 -1.92 -1.02 114.58 121.34 2dmu h GLU 48 Ca -0.45 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.39 2dmu h GLU 48 Cb 1.16 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 2dmu h GLU 48 CO 0.76 0.32 0.26 1.05 -1.40 0.00 0.00 179.01 179.99 2dmu h GLU 49 N 0.49 0.51 -0.41 2.33 4.11 -1.98 -2.66 114.58 116.97 2dmu h GLU 49 Ca 0.26 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.67 2dmu h GLU 49 Cb 0.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2dmu h GLU 49 CO -0.21 0.33 0.25 0.87 0.07 0.00 0.00 179.01 180.32 2dmu h LYS 50 N 0.52 0.50 -0.49 1.06 1.79 -1.81 -2.73 116.57 115.42 2dmu h LYS 50 Ca 0.16 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.70 2dmu h LYS 50 Cb -0.01 -0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 30.43 2dmu h LYS 50 CO -0.07 0.33 -0.14 0.28 -1.08 0.00 0.00 179.45 178.77 2dmu h VAL 51 N 0.51 0.48 -0.36 0.50 2.07 -0.87 -1.30 116.25 117.27 2dmu h VAL 51 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2dmu h VAL 51 Cb -0.02 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2dmu h VAL 51 CO -0.06 0.00 0.07 -0.08 0.02 0.00 0.00 177.57 177.52 2dmu h GLU 52 N -0.02 0.18 -0.82 1.57 4.81 -1.21 -1.98 114.58 117.10 2dmu h GLU 52 Ca 0.23 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.65 2dmu h GLU 52 Cb 0.38 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.60 2dmu h GLU 52 CO -0.51 0.12 0.25 0.28 -0.73 0.00 0.00 179.01 178.41 2dmu h VAL 53 N 0.19 0.44 -0.53 0.32 2.07 -0.96 0.11 116.25 117.90 2dmu h VAL 53 Ca 0.17 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2dmu h VAL 53 Cb 0.20 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2dmu h VAL 53 CO -0.23 0.05 0.33 -0.25 0.02 0.00 0.00 177.57 177.49 2dmu h TRP 54 N 0.29 0.62 -0.43 1.57 7.01 -1.00 0.30 115.95 124.30 2dmu h TRP 54 Ca 0.49 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.51 2dmu h TRP 54 Cb 0.91 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 2dmu h TRP 54 CO -0.23 0.37 0.26 0.74 -2.79 0.00 0.00 178.44 176.78 2dmu h PHE 55 N 0.66 0.57 -0.52 2.65 -1.00 -0.62 -1.37 116.94 117.31 2dmu h PHE 55 Ca 0.21 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 2dmu h PHE 55 Cb -0.01 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 2dmu h PHE 55 CO -0.05 0.41 0.19 0.87 -1.61 0.00 0.00 178.31 178.11 2dmu h LYS 56 N 0.57 0.80 -0.82 1.51 1.57 -0.83 -1.86 116.57 117.52 2dmu h LYS 56 Ca 0.16 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2dmu h LYS 56 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2dmu h LYS 56 CO -0.03 0.72 0.54 -0.91 -0.57 0.00 0.00 179.45 179.20 2dmu h ASN 57 N 0.71 0.94 0.38 0.86 4.21 -0.68 -2.99 115.58 119.01 2dmu h ASN 57 Ca 0.17 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.64 2dmu h ASN 57 Cb 0.24 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2dmu h ASN 57 CO -0.01 0.68 -0.18 0.03 -1.29 0.00 0.00 177.43 176.66 2dmu h ARG 58 N 1.11 -0.49 -0.96 0.81 2.47 -1.02 -3.10 114.38 113.20 2dmu h ARG 58 Ca 0.30 0.03 0.20 0.00 -1.26 0.00 0.00 59.98 59.26 2dmu h ARG 58 Cb -0.12 0.11 -0.18 0.00 -1.65 0.00 0.00 29.97 28.12 2dmu h ARG 58 CO -0.07 -0.22 -0.20 0.54 0.56 0.00 0.00 179.97 180.58 2dmu n ARG 59 N -5.23 -0.08 -0.35 0.04 1.74 -0.72 0.34 116.66 112.39 2dmu n ARG 59 Ca -0.10 1.48 0.09 0.00 -0.77 0.00 0.00 57.85 58.55 2dmu n ARG 59 Cb 0.26 -2.24 0.20 0.00 -1.02 0.00 0.00 32.46 29.66 2dmu n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmu h ALA 60 N 1.91 0.86 -0.17 7.54 0.00 -1.45 0.40 119.26 128.35 2dmu h ALA 60 Ca 0.48 0.37 -0.13 0.00 0.00 0.00 0.00 54.91 55.63 2dmu h ALA 60 Cb 0.77 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2dmu h ALA 60 CO -0.97 -0.46 -0.39 -0.22 0.00 0.00 0.00 179.25 177.21 2dmu h LYS 61 N 0.00 0.56 -0.23 0.00 3.64 -0.24 -2.58 116.57 117.73 2dmu h LYS 61 Ca 0.53 -0.38 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2dmu h LYS 61 Cb 0.93 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 2dmu h LYS 61 CO -0.99 1.00 -0.41 2.35 -2.27 0.00 0.00 179.45 179.12 2dmu h TRP 62 N 0.21 -1.17 -0.39 1.91 7.01 0.32 -0.04 115.95 123.80 2dmu h TRP 62 Ca -0.00 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2dmu h TRP 62 Cb 1.00 0.55 -0.02 0.00 -2.10 0.00 0.00 29.16 28.59 2dmu h TRP 62 CO 0.10 -0.45 0.10 0.07 -2.79 0.00 0.00 178.44 175.46 2dmu h ARG 63 N -0.42 0.57 0.29 2.65 0.11 -1.13 -2.98 114.38 113.46 2dmu h ARG 63 Ca 0.10 -0.09 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 2dmu h ARG 63 Cb 0.60 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 2dmu h ARG 63 CO -0.45 0.52 -0.23 -0.09 0.10 0.00 0.00 179.97 179.81 2dmu h ARG 64 N 0.56 -0.52 -4.38 0.08 2.43 -0.65 -3.47 114.38 108.43 2dmu h ARG 64 Ca 0.13 0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.07 2dmu h ARG 64 Cb 0.21 0.12 0.10 0.00 -0.42 0.00 0.00 29.97 29.98 2dmu h ARG 64 CO -0.00 -0.34 -0.48 0.45 -1.51 0.00 0.00 179.97 178.08 2dmu n SER 65 N -5.36 -4.31 -4.91 -3.80 2.88 -0.24 -5.01 113.62 92.87 2dmu n SER 65 Ca -0.09 -0.38 -0.28 0.00 -1.33 0.00 0.00 58.87 56.79 2dmu n SER 65 Cb 0.27 -3.64 0.07 0.00 -0.75 0.00 0.00 64.21 60.16 2dmu n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmu s GLY 66 N -3.39 1.63 1.03 0.46 0.00 -1.26 -5.07 107.32 100.72 2dmu s GLY 66 Ca 0.31 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 44.19 2dmu s GLY 66 CO 0.50 -0.29 1.09 2.56 0.00 0.00 0.00 173.10 176.96 2dmu s PRO 67 N -5.34 0.14 0.39 2.90 0.04 -1.26 -5.08 135.00 126.78 2dmu s PRO 67 Ca 0.60 0.42 0.08 0.00 0.04 0.00 0.00 61.00 62.13 2dmu s PRO 67 Cb -0.11 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 2dmu s PRO 67 CO 0.47 -2.91 -0.00 -1.54 0.04 0.00 0.00 177.00 173.06 2dmu s SER 68 N -3.50 3.89 0.02 6.66 1.04 -1.26 -5.06 113.70 115.48 2dmu s SER 68 Ca 0.66 -1.30 -0.23 0.00 0.48 0.00 0.00 55.95 55.56 2dmu s SER 68 Cb -0.18 -0.40 -0.17 0.00 0.10 0.00 0.00 66.02 65.38 2dmu s SER 68 CO 0.58 -0.39 1.36 0.28 0.98 0.00 0.00 173.24 176.04 2dmu h SER 69 N 1.81 0.17 0.00 7.02 0.02 -2.09 -3.57 113.55 116.91 2dmu h SER 69 Ca -0.43 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2dmu h SER 69 Cb 1.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2dmu h SER 69 CO 0.78 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.63