#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 0.62 -3.36 1.61 4.64 -2.08 -3.45 113.55 111.54 2dmu h SER 2 Ca 0.00 -0.72 -0.49 0.00 -0.47 0.00 0.00 61.79 60.11 2dmu h SER 2 Cb 0.00 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2dmu h SER 2 CO 0.00 1.26 0.01 -0.55 -0.87 0.00 0.00 176.83 176.67 2dmu s SER 3 N -6.82 6.33 0.00 4.97 0.15 -1.26 -5.07 113.70 112.01 2dmu s SER 3 Ca -0.12 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2dmu s SER 3 Cb 0.05 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2dmu s SER 3 CO 0.84 -0.43 0.20 0.61 1.20 0.00 0.00 173.24 175.66 2dmu n GLY 4 N -1.83 -0.35 3.88 9.45 0.00 -1.26 -4.90 105.19 110.18 2dmu n GLY 4 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.45 6.18 0.36 1.61 0.15 -1.26 -5.09 113.70 114.20 2dmu s SER 5 Ca 0.00 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 2dmu s SER 5 Cb 0.00 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 2dmu s SER 5 CO 0.00 0.24 0.59 -0.94 1.20 0.00 0.00 173.24 174.32 2dmu s SER 6 N -2.06 6.30 0.09 5.45 1.04 -1.26 -5.02 113.70 118.25 2dmu s SER 6 Ca 0.28 0.55 -0.22 0.00 0.48 0.00 0.00 55.95 57.04 2dmu s SER 6 Cb -0.13 -2.08 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 2dmu s SER 6 CO 0.20 -0.33 1.37 1.23 0.98 0.00 0.00 173.24 176.69 2dmu h GLY 7 N 0.75 -1.35 -4.42 7.32 0.00 -1.96 -3.44 103.07 99.96 2dmu h GLY 7 Ca -0.49 0.80 -0.29 0.00 0.00 0.00 0.00 47.33 47.36 2dmu h GLY 7 CO 0.62 -0.31 -0.40 -0.96 0.00 0.00 0.00 176.54 175.48 2dmu n ARG 8 N -4.52 -2.78 -3.76 4.80 1.85 -1.26 -4.93 116.66 106.05 2dmu n ARG 8 Ca -0.01 0.56 -0.35 0.00 -1.00 0.00 0.00 57.85 57.04 2dmu n ARG 8 Cb 0.22 -5.20 -0.05 0.00 -1.05 0.00 0.00 32.46 26.37 2dmu n ARG 8 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2dmu s ARG 9 N -5.38 3.58 0.42 2.89 1.81 -1.26 -5.11 118.95 115.90 2dmu s ARG 9 Ca 0.15 -0.06 0.07 0.00 -1.72 0.00 0.00 55.73 54.17 2dmu s ARG 9 Cb -0.08 -3.10 -0.07 0.00 -0.45 0.00 0.00 34.95 31.26 2dmu s ARG 9 CO 0.18 0.67 0.06 -1.01 -0.68 0.00 0.00 175.30 174.51 2dmu s HIS 10 N -1.25 2.49 -0.74 -0.53 3.76 -1.26 -4.68 115.29 113.07 2dmu s HIS 10 Ca 0.26 -0.67 -0.04 0.00 -0.15 0.00 0.00 55.06 54.45 2dmu s HIS 10 Cb -0.13 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.78 2dmu s HIS 10 CO 0.14 0.36 0.16 2.89 -0.85 0.00 0.00 174.74 177.44 2dmu n ARG 11 N -1.07 -2.65 -4.42 1.40 1.85 -1.26 -4.91 116.66 105.61 2dmu n ARG 11 Ca -0.05 0.28 -0.34 0.00 -1.00 0.00 0.00 57.85 56.74 2dmu n ARG 11 Cb 0.66 -4.85 -0.10 0.00 -1.05 0.00 0.00 32.46 27.12 2dmu n ARG 11 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2dmu s THR 12 N -2.48 4.07 -0.05 8.89 2.01 -1.26 -5.12 115.64 121.69 2dmu s THR 12 Ca 0.16 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 2dmu s THR 12 Cb -0.09 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.70 2dmu s THR 12 CO 0.20 0.53 0.14 -0.63 -0.69 0.00 0.00 174.62 174.17 2dmu s ILE 13 N -0.93 -0.00 0.28 1.82 1.01 -1.26 -5.16 121.20 116.95 2dmu s ILE 13 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2dmu s ILE 13 Cb -0.11 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 2dmu s ILE 13 CO 0.05 0.01 0.46 -0.36 0.00 0.00 0.00 174.94 175.09 2dmu s PHE 14 N 0.17 3.48 0.78 3.97 0.08 -1.26 -5.10 117.98 120.09 2dmu s PHE 14 Ca -0.01 0.27 -0.12 0.00 0.12 0.00 0.00 56.93 57.19 2dmu s PHE 14 Cb -0.02 -1.81 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2dmu s PHE 14 CO -0.00 0.27 1.12 0.95 -0.10 0.00 0.00 175.22 177.46 2dmu s THR 15 N -2.11 2.82 0.16 0.64 -4.23 -1.26 -4.83 115.64 106.83 2dmu s THR 15 Ca 0.38 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.99 2dmu s THR 15 Cb -0.10 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.60 2dmu s THR 15 CO 0.32 -0.35 1.71 0.44 -0.54 0.00 0.00 174.62 176.21 2dmu h ASP 16 N -0.95 -0.09 0.18 3.99 3.32 -1.99 -0.94 116.42 119.95 2dmu h ASP 16 Ca -0.46 0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.67 2dmu h ASP 16 Cb 1.29 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 2dmu h ASP 16 CO 0.63 -0.01 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.82 2dmu h GLU 17 N 0.13 -0.47 -0.27 3.56 4.81 -1.98 0.26 114.58 120.62 2dmu h GLU 17 Ca 0.17 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 2dmu h GLU 17 Cb 0.23 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2dmu h GLU 17 CO -0.27 -0.31 -0.18 1.96 -0.73 0.00 0.00 179.01 179.47 2dmu h GLN 18 N -0.49 -0.16 -0.78 1.92 4.20 -1.79 0.37 115.11 118.38 2dmu h GLN 18 Ca 0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2dmu h GLN 18 Cb 0.48 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2dmu h GLN 18 CO -0.10 -0.11 0.48 -0.07 -0.67 0.00 0.00 178.83 178.36 2dmu h LEU 19 N -0.17 0.92 -0.32 1.46 3.38 -0.92 0.14 115.31 119.79 2dmu h LEU 19 Ca 0.15 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2dmu h LEU 19 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2dmu h LEU 19 CO -0.37 0.70 0.17 -0.08 0.09 0.00 0.00 178.44 178.96 2dmu h GLU 20 N 1.06 0.35 -0.01 1.13 4.81 0.50 0.22 114.58 122.64 2dmu h GLU 20 Ca 0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2dmu h GLU 20 Cb -0.06 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2dmu h GLU 20 CO -0.06 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.45 2dmu h ALA 21 N 1.16 0.01 0.13 2.92 0.00 -0.65 0.38 119.26 123.20 2dmu h ALA 21 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dmu h ALA 21 Cb 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2dmu h ALA 21 CO -0.08 -0.34 -0.17 -0.07 0.00 0.00 0.00 179.25 178.60 2dmu h LEU 22 N -0.30 -0.45 -0.66 0.00 3.38 -0.83 -0.92 115.31 115.54 2dmu h LEU 22 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dmu h LEU 22 Cb 0.31 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2dmu h LEU 22 CO 0.00 -0.25 0.39 -0.33 0.09 0.00 0.00 178.44 178.35 2dmu h GLU 23 N -0.34 0.90 -0.91 1.13 5.08 -0.59 0.18 114.58 120.03 2dmu h GLU 23 Ca 0.01 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2dmu h GLU 23 Cb 0.34 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2dmu h GLU 23 CO -0.07 0.64 0.59 -0.91 -1.00 0.00 0.00 179.01 178.26 2dmu h ASN 24 N 0.90 0.91 0.07 1.42 2.35 -0.59 0.30 115.58 120.94 2dmu h ASN 24 Ca 0.24 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2dmu h ASN 24 Cb -0.02 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.16 2dmu h ASN 24 CO -0.04 0.59 -0.03 0.25 -1.65 0.00 0.00 177.43 176.54 2dmu h LEU 25 N 1.03 -0.07 -0.95 1.61 5.85 -0.63 -3.07 115.31 119.08 2dmu h LEU 25 Ca 0.39 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.84 2dmu h LEU 25 Cb 0.19 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 2dmu h LEU 25 CO -0.14 0.59 0.56 0.15 -0.34 0.00 0.00 178.44 179.26 2dmu h PHE 26 N -0.97 1.01 0.46 1.25 3.04 -0.54 0.20 116.94 121.39 2dmu h PHE 26 Ca -0.01 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 2dmu h PHE 26 Cb 0.47 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 2dmu h PHE 26 CO 0.11 0.33 -0.29 1.96 -2.02 0.00 0.00 178.31 178.40 2dmu h GLN 27 N 0.83 -0.69 -0.74 1.11 1.08 -0.51 -2.90 115.11 113.29 2dmu h GLN 27 Ca 0.50 0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.71 2dmu h GLN 27 Cb 0.60 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 2dmu h GLN 27 CO -0.31 -0.46 0.35 1.05 -0.95 0.00 0.00 178.83 178.51 2dmu h GLU 28 N -0.72 1.07 -4.02 1.46 4.11 -1.31 -3.42 114.58 111.75 2dmu h GLU 28 Ca -0.05 -0.16 -0.39 0.00 0.07 0.00 0.00 59.36 58.83 2dmu h GLU 28 Cb 0.59 -0.19 -0.33 0.00 0.50 0.00 0.00 28.75 29.32 2dmu h GLU 28 CO 0.05 0.84 -0.77 -0.08 0.07 0.00 0.00 179.01 179.12 2dmu s THR 29 N -5.69 0.48 0.07 -1.06 -1.32 0.66 -5.04 115.64 103.73 2dmu s THR 29 Ca -0.13 -0.11 -0.18 0.00 -1.21 0.00 0.00 61.69 60.06 2dmu s THR 29 Cb 0.15 -0.50 -0.10 0.00 -1.51 0.00 0.00 72.50 70.53 2dmu s THR 29 CO 0.81 0.20 1.44 0.11 -2.21 0.00 0.00 174.62 174.97 2dmu h LYS 30 N 7.05 0.46 -4.55 7.08 1.57 -1.81 -3.29 116.57 123.08 2dmu h LYS 30 Ca -0.38 -0.20 -0.65 0.00 -1.87 0.00 0.00 60.65 57.55 2dmu h LYS 30 Cb 1.15 -0.01 -0.39 0.00 0.08 0.00 0.00 32.23 33.05 2dmu h LYS 30 CO 0.48 0.73 -0.74 0.71 -0.57 0.00 0.00 179.45 180.06 2dmu s TYR 31 N -4.61 3.33 1.12 -1.35 1.51 -1.26 -4.92 117.35 111.18 2dmu s TYR 31 Ca -0.14 -2.65 -0.19 0.00 -1.01 0.00 0.00 57.07 53.09 2dmu s TYR 31 Cb 0.07 -2.52 0.28 0.00 -0.11 0.00 0.00 41.96 39.68 2dmu s TYR 31 CO 0.76 -0.92 1.00 -0.35 -1.11 0.00 0.00 175.55 174.94 2dmu n PRO 32 N 4.39 -2.96 -4.05 -1.71 -0.04 -1.26 -5.08 135.00 124.28 2dmu n PRO 32 Ca -0.01 -1.60 -0.24 0.00 -0.04 0.00 0.00 63.50 61.62 2dmu n PRO 32 Cb 0.42 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -4.20 4.51 0.21 3.54 1.01 -1.26 -4.97 116.67 115.51 2dmu s ASP 33 Ca 0.65 -1.03 -0.09 0.00 0.71 0.00 0.00 52.55 52.78 2dmu s ASP 33 Cb -0.06 -0.49 0.15 0.00 1.01 0.00 0.00 42.92 43.53 2dmu s ASP 33 CO 0.50 -0.56 1.80 1.62 0.21 0.00 0.00 175.17 178.73 2dmu h VAL 34 N 1.36 1.24 -0.90 -1.27 3.04 -1.98 0.20 116.25 117.95 2dmu h VAL 34 Ca -0.43 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 2dmu h VAL 34 Cb 1.25 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 2dmu h VAL 34 CO 0.68 0.29 0.54 1.23 -1.01 0.00 0.00 177.57 179.30 2dmu h GLY 35 N 1.08 1.31 0.57 3.17 0.00 -1.99 0.27 103.07 107.48 2dmu h GLY 35 Ca 0.26 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2dmu h GLY 35 CO -0.03 0.54 -0.53 -0.84 0.00 0.00 0.00 176.54 175.67 2dmu h THR 36 N 1.24 1.54 -0.04 4.70 2.02 -1.90 -3.10 112.91 117.37 2dmu h THR 36 Ca 0.32 -2.27 0.02 0.00 0.77 0.00 0.00 66.41 65.25 2dmu h THR 36 Cb -0.04 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 2dmu h THR 36 CO -0.06 0.64 -0.06 0.03 0.37 0.00 0.00 175.52 176.44 2dmu h ARG 37 N -0.42 -0.08 -0.07 6.66 3.08 -0.54 0.23 114.38 123.25 2dmu h ARG 37 Ca -0.08 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.01 2dmu h ARG 37 Cb 1.34 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.35 2dmu h ARG 37 CO 0.10 -0.05 -0.26 0.93 -1.07 0.00 0.00 179.97 179.61 2dmu h GLU 38 N -0.08 -0.36 0.53 0.04 5.08 -1.07 0.15 114.58 118.87 2dmu h GLU 38 Ca 0.04 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2dmu h GLU 38 Cb 0.14 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dmu h GLU 38 CO -0.09 -0.24 -0.25 1.96 -1.00 0.00 0.00 179.01 179.39 2dmu h GLN 39 N -0.37 -0.68 -0.66 2.33 4.20 -1.43 -3.00 115.11 115.50 2dmu h GLN 39 Ca 0.08 0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.97 2dmu h GLN 39 Cb 0.49 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.30 2dmu h GLN 39 CO -0.28 -0.44 -0.19 1.25 -0.67 0.00 0.00 178.83 178.50 2dmu h LEU 40 N -0.74 -0.70 -0.09 1.46 5.85 -0.34 0.98 115.31 121.74 2dmu h LEU 40 Ca -0.07 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2dmu h LEU 40 Cb 0.56 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2dmu h LEU 40 CO 0.12 -0.23 -0.16 0.00 -0.34 0.00 0.00 178.44 177.82 2dmu h ALA 41 N 1.58 -0.48 -0.78 1.25 0.00 -0.84 0.38 119.26 120.36 2dmu h ALA 41 Ca 0.31 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.36 2dmu h ALA 41 Cb 0.50 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2dmu h ALA 41 CO -0.69 -0.55 0.52 0.00 0.00 0.00 0.00 179.25 178.53 2dmu h ARG 42 N -0.13 0.47 -0.74 0.00 3.08 -1.30 0.28 114.38 116.04 2dmu h ARG 42 Ca 0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2dmu h ARG 42 Cb 0.18 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2dmu h ARG 42 CO -0.16 0.31 0.24 -0.22 -1.07 0.00 0.00 179.97 179.07 2dmu h LYS 43 N 0.48 1.14 -0.63 0.04 3.64 0.88 -2.29 116.57 119.82 2dmu h LYS 43 Ca 0.39 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2dmu h LYS 43 Cb 0.81 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2dmu h LYS 43 CO -0.14 0.96 0.00 1.33 -2.27 0.00 0.00 179.45 179.34 2dmu n VAL 44 N -4.25 1.33 -3.63 2.00 0.24 0.12 -4.93 118.33 109.20 2dmu n VAL 44 Ca 0.06 -0.94 -0.22 0.00 -2.04 0.00 0.00 64.34 61.20 2dmu n VAL 44 Cb 0.22 0.16 0.06 0.00 -1.47 0.00 0.00 33.84 32.81 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 1.04 -2.23 -4.27 6.34 8.25 0.13 -4.81 115.22 119.68 2dmu n HIS 45 Ca 0.21 0.91 -0.15 0.00 -0.26 0.00 0.00 57.72 58.43 2dmu n HIS 45 Cb 0.70 -4.65 -0.10 0.00 1.12 0.00 0.00 29.99 27.06 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 -6.78 1.44 -0.05 2.41 1.43 0.77 -4.98 118.68 112.91 2dmu s LEU 46 Ca 0.21 -1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 51.71 2dmu s LEU 46 Cb -0.10 0.26 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 2dmu s LEU 46 CO 0.78 -0.84 0.39 -0.13 0.23 0.00 0.00 176.35 176.78 2dmu s ARG 47 N -4.00 4.02 0.24 1.70 0.52 -1.26 -3.41 118.95 116.76 2dmu s ARG 47 Ca 0.38 0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 55.82 2dmu s ARG 47 Cb 0.06 -3.29 0.33 0.00 0.52 0.00 0.00 34.95 32.58 2dmu s ARG 47 CO 0.15 0.53 1.60 1.49 0.02 0.00 0.00 175.30 179.09 2dmu h GLU 48 N 5.39 0.01 -0.79 3.54 4.22 -1.89 0.31 114.58 125.37 2dmu h GLU 48 Ca -0.48 -0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.11 2dmu h GLU 48 Cb 1.20 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 2dmu h GLU 48 CO 0.66 0.01 0.32 1.05 -2.18 0.00 0.00 179.01 178.86 2dmu h GLU 49 N 0.01 0.43 -0.40 1.92 4.11 -1.96 -0.78 114.58 117.92 2dmu h GLU 49 Ca 0.37 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.75 2dmu h GLU 49 Cb 0.58 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2dmu h GLU 49 CO -0.78 0.29 0.16 0.87 0.07 0.00 0.00 179.01 179.61 2dmu h LYS 50 N 0.45 0.60 -0.55 1.06 1.79 -0.83 -2.81 116.57 116.27 2dmu h LYS 50 Ca 0.44 -0.11 0.11 0.00 -2.18 0.00 0.00 60.65 58.91 2dmu h LYS 50 Cb 0.70 -0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 31.14 2dmu h LYS 50 CO -0.42 0.57 -0.24 0.28 -1.08 0.00 0.00 179.45 178.55 2dmu h VAL 51 N 0.50 0.29 -0.28 0.50 2.07 -0.19 -0.79 116.25 118.35 2dmu h VAL 51 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 2dmu h VAL 51 Cb 0.19 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2dmu h VAL 51 CO -0.01 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 177.61 2dmu h GLU 52 N -0.11 0.24 -0.73 1.57 4.81 -1.38 -2.85 114.58 116.14 2dmu h GLU 52 Ca 0.25 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 2dmu h GLU 52 Cb 0.50 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 2dmu h GLU 52 CO -0.62 0.16 -0.41 0.28 -0.73 0.00 0.00 179.01 177.69 2dmu h VAL 53 N 0.25 0.08 -0.96 0.32 2.07 -0.90 0.41 116.25 117.52 2dmu h VAL 53 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2dmu h VAL 53 Cb 0.07 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.84 2dmu h VAL 53 CO -0.11 0.00 0.60 -0.25 0.02 0.00 0.00 177.57 177.83 2dmu h TRP 54 N -0.13 1.08 -0.09 1.57 7.01 -1.24 -1.79 115.95 122.37 2dmu h TRP 54 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 2dmu h TRP 54 Cb 0.56 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2dmu h TRP 54 CO -0.76 0.46 0.03 0.74 -2.79 0.00 0.00 178.44 176.12 2dmu h PHE 55 N 0.98 0.15 0.01 2.65 -1.00 -0.14 -1.51 116.94 118.09 2dmu h PHE 55 Ca 0.46 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.26 2dmu h PHE 55 Cb 0.39 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 39.86 2dmu h PHE 55 CO -0.02 0.29 -0.30 0.87 -1.61 0.00 0.00 178.31 177.54 2dmu h LYS 56 N -0.04 -0.44 0.05 1.51 1.57 -0.04 -1.69 116.57 117.49 2dmu h LYS 56 Ca 0.03 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2dmu h LYS 56 Cb 0.21 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2dmu h LYS 56 CO -0.00 -0.29 -0.20 -0.91 -0.57 0.00 0.00 179.45 177.48 2dmu h ASN 57 N -0.46 -0.56 -0.56 0.86 4.21 -1.33 -2.82 115.58 114.92 2dmu h ASN 57 Ca 0.06 0.07 0.09 0.00 1.21 0.00 0.00 56.30 57.73 2dmu h ASN 57 Cb 0.54 0.22 -0.10 0.00 -1.12 0.00 0.00 38.32 37.86 2dmu h ASN 57 CO -0.25 -0.27 -0.43 0.03 -1.29 0.00 0.00 177.43 175.22 2dmu h ARG 58 N -0.34 -0.23 -0.99 0.81 2.47 -0.96 0.23 114.38 115.38 2dmu h ARG 58 Ca 0.04 0.02 0.32 0.00 -1.26 0.00 0.00 59.98 59.10 2dmu h ARG 58 Cb 0.39 0.05 -0.15 0.00 -1.65 0.00 0.00 29.97 28.61 2dmu h ARG 58 CO -0.15 -0.15 0.51 0.00 0.56 0.00 0.00 179.97 180.74 2dmu h ARG 59 N -0.24 0.25 -0.90 0.04 3.08 -1.06 -0.06 114.38 115.49 2dmu h ARG 59 Ca 0.18 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.35 2dmu h ARG 59 Cb 0.56 -0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.41 2dmu h ARG 59 CO -0.67 0.17 -0.39 0.00 -1.07 0.00 0.00 179.97 178.01 2dmu h ALA 60 N 1.87 0.08 -0.60 0.04 0.00 -0.43 0.69 119.26 120.91 2dmu h ALA 60 Ca 0.72 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.84 2dmu h ALA 60 Cb 1.67 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 20.41 2dmu h ALA 60 CO -0.64 -0.65 0.23 -0.22 0.00 0.00 0.00 179.25 177.96 2dmu h LYS 61 N -0.04 0.87 0.30 0.00 3.11 -1.08 -1.11 116.57 118.62 2dmu h LYS 61 Ca 0.31 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 58.00 2dmu h LYS 61 Cb 0.58 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 2dmu h LYS 61 CO -0.92 0.73 -0.15 2.35 -2.81 0.00 0.00 179.45 178.65 2dmu h TRP 62 N 0.86 -0.38 -0.98 1.91 7.01 0.35 -1.67 115.95 123.06 2dmu h TRP 62 Ca 0.20 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.37 2dmu h TRP 62 Cb 0.19 0.12 -0.10 0.00 -2.10 0.00 0.00 29.16 27.27 2dmu h TRP 62 CO 0.01 -0.23 0.58 0.07 -2.79 0.00 0.00 178.44 176.08 2dmu h ARG 63 N -0.43 0.74 -0.24 2.65 0.11 -0.82 -1.19 114.38 115.18 2dmu h ARG 63 Ca -0.04 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 60.04 2dmu h ARG 63 Cb 0.31 -0.17 -0.04 0.00 1.11 0.00 0.00 29.97 31.18 2dmu h ARG 63 CO 0.07 0.49 -0.01 -0.09 0.10 0.00 0.00 179.97 180.53 2dmu h ARG 64 N 0.77 0.06 -4.80 0.08 9.65 -1.14 -3.37 114.38 115.63 2dmu h ARG 64 Ca 0.55 -0.00 -0.70 0.00 -1.10 0.00 0.00 59.98 58.73 2dmu h ARG 64 Cb 0.81 -0.01 -0.19 0.00 -1.39 0.00 0.00 29.97 29.18 2dmu h ARG 64 CO -0.37 0.04 -0.18 0.45 2.80 0.00 0.00 179.97 182.71 2dmu s SER 65 N -5.24 6.19 0.03 -3.80 0.15 -0.45 -5.05 113.70 105.53 2dmu s SER 65 Ca -0.13 -0.81 0.05 0.00 0.70 0.00 0.00 55.95 55.76 2dmu s SER 65 Cb 0.11 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 2dmu s SER 65 CO 0.69 -0.64 -0.16 -0.83 1.20 0.00 0.00 173.24 173.50 2dmu s GLY 66 N 2.07 0.87 0.00 9.45 0.00 -1.26 -4.78 107.32 113.67 2dmu s GLY 66 Ca 0.11 -0.86 0.15 0.00 0.00 0.00 0.00 44.72 44.13 2dmu s GLY 66 CO 0.12 -0.80 1.32 -1.55 0.00 0.00 0.00 173.10 172.19 2dmu n PRO 67 N 2.05 0.49 -0.32 2.90 -0.04 -1.26 -4.08 135.00 134.74 2dmu n PRO 67 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 2dmu n PRO 67 Cb 0.54 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2dmu n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmu n SER 68 N -0.98 -0.76 -4.77 3.54 2.88 -1.26 -4.26 113.62 108.01 2dmu n SER 68 Ca 0.11 1.38 -0.38 0.00 -1.33 0.00 0.00 58.87 58.65 2dmu n SER 68 Cb 0.05 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.25 2dmu n SER 68 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmu s SER 69 N -5.37 7.17 0.00 -3.46 0.01 -1.26 -5.34 113.70 105.46 2dmu s SER 69 Ca -0.10 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2dmu s SER 69 Cb 0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2dmu s SER 69 CO 0.50 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.56