#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 -0.07 0.15 1.61 1.04 -1.26 -5.16 113.70 110.01 2dmu s SER 2 Ca 0.00 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 2dmu s SER 2 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dmu s SER 2 CO 0.00 -0.04 0.32 -0.94 0.98 0.00 0.00 173.24 173.56 2dmu s SER 3 N -0.04 -0.02 0.00 7.02 1.04 -1.26 -5.04 113.70 115.41 2dmu s SER 3 Ca -0.01 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 2dmu s SER 3 Cb -0.01 0.45 -0.19 0.00 0.10 0.00 0.00 66.02 66.37 2dmu s SER 3 CO 0.00 -0.89 2.83 0.61 0.98 0.00 0.00 173.24 176.77 2dmu n GLY 4 N -0.21 2.55 0.37 7.32 0.00 -1.26 -4.47 105.19 109.49 2dmu n GLY 4 Ca -0.10 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2dmu n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmu h SER 5 N 3.25 -0.77 -0.59 1.61 0.02 -2.04 -3.23 113.55 111.80 2dmu h SER 5 Ca 0.13 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 2dmu h SER 5 Cb 1.17 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 63.80 2dmu h SER 5 CO 0.24 -0.40 -0.15 0.77 -1.14 0.00 0.00 176.83 176.14 2dmu h SER 6 N -1.17 -0.56 -0.56 3.07 4.64 -2.06 -3.27 113.55 113.63 2dmu h SER 6 Ca -0.09 0.18 -0.33 0.00 -0.47 0.00 0.00 61.79 61.07 2dmu h SER 6 Cb 0.72 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2dmu h SER 6 CO 0.15 -0.20 1.01 -0.83 -0.87 0.00 0.00 176.83 176.10 2dmu s GLY 7 N -3.42 0.23 -0.25 -0.77 0.00 -1.22 -4.92 107.32 96.97 2dmu s GLY 7 Ca -0.14 -1.99 -0.15 0.00 0.00 0.00 0.00 44.72 42.43 2dmu s GLY 7 CO 0.73 3.50 0.39 0.50 0.00 0.00 0.00 173.10 178.22 2dmu s ARG 8 N 6.54 4.07 0.30 2.90 0.52 -1.24 -4.96 118.95 127.08 2dmu s ARG 8 Ca 0.68 0.11 0.04 0.00 -0.52 0.00 0.00 55.73 56.03 2dmu s ARG 8 Cb -0.02 -3.62 0.65 0.00 0.52 0.00 0.00 34.95 32.48 2dmu s ARG 8 CO 0.09 -0.20 1.82 0.00 0.02 0.00 0.00 175.30 177.02 2dmu h ARG 9 N 7.89 0.86 -0.76 3.54 -0.00 -1.93 -1.96 114.38 122.02 2dmu h ARG 9 Ca -0.33 -0.05 0.14 0.00 -0.50 0.00 0.00 59.98 59.24 2dmu h ARG 9 Cb 1.16 -0.19 -0.14 0.00 0.00 0.00 0.00 29.97 30.79 2dmu h ARG 9 CO 0.67 0.57 -0.26 0.45 0.00 0.00 0.00 179.97 181.40 2dmu h HIS 10 N 0.88 -0.63 -5.97 3.04 3.86 -2.00 -3.45 115.15 110.88 2dmu h HIS 10 Ca 0.52 0.08 -0.40 0.00 -1.16 0.00 0.00 60.37 59.41 2dmu h HIS 10 Cb 0.67 0.39 0.08 0.00 1.06 0.00 0.00 27.41 29.61 2dmu h HIS 10 CO -0.00 -0.36 -0.77 0.54 0.86 0.00 0.00 177.93 178.20 2dmu n ARG 11 N -5.49 -6.09 -2.59 2.45 5.12 -0.74 -4.94 116.66 104.39 2dmu n ARG 11 Ca 0.09 0.72 -0.41 0.00 -1.93 0.00 0.00 57.85 56.32 2dmu n ARG 11 Cb 0.39 -5.56 -0.04 0.00 -1.16 0.00 0.00 32.46 26.09 2dmu n ARG 11 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2dmu s THR 12 N -3.45 4.06 0.20 0.55 2.01 -1.26 -5.05 115.64 112.71 2dmu s THR 12 Ca 0.25 1.77 0.07 0.00 0.31 0.00 0.00 61.69 64.09 2dmu s THR 12 Cb -0.12 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2dmu s THR 12 CO 0.78 0.30 0.10 -0.51 -0.69 0.00 0.00 174.62 174.60 2dmu s ILE 13 N -0.22 4.17 0.17 1.82 2.07 -1.26 -5.13 121.20 122.80 2dmu s ILE 13 Ca 0.48 -1.36 0.09 0.00 -1.41 0.00 0.00 60.65 58.45 2dmu s ILE 13 Cb -0.27 -3.17 -0.04 0.00 0.13 0.00 0.00 42.46 39.10 2dmu s ILE 13 CO 0.33 -0.21 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.67 2dmu s PHE 14 N -1.93 2.60 0.51 3.50 0.08 -1.26 -5.14 117.98 116.34 2dmu s PHE 14 Ca 0.31 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 2dmu s PHE 14 Cb -0.09 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 2dmu s PHE 14 CO 0.22 0.49 0.75 0.95 -0.10 0.00 0.00 175.22 177.54 2dmu s THR 15 N -1.59 3.65 0.24 0.64 -4.23 -1.26 -4.85 115.64 108.23 2dmu s THR 15 Ca 0.23 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2dmu s THR 15 Cb -0.09 -3.38 0.22 0.00 1.34 0.00 0.00 72.50 70.59 2dmu s THR 15 CO 0.14 -0.30 1.69 0.44 -0.54 0.00 0.00 174.62 176.05 2dmu h ASP 16 N 0.17 -0.00 -0.13 3.99 3.32 -2.00 0.13 116.42 121.89 2dmu h ASP 16 Ca -0.45 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2dmu h ASP 16 Cb 1.26 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 2dmu h ASP 16 CO 0.57 -0.03 0.08 -0.08 -1.72 0.00 0.00 179.24 178.06 2dmu h GLU 17 N 0.26 0.19 -0.12 3.56 4.81 -1.98 0.33 114.58 121.62 2dmu h GLU 17 Ca 0.39 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 2dmu h GLU 17 Cb 0.65 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2dmu h GLU 17 CO -0.49 0.18 0.02 1.96 -0.73 0.00 0.00 179.01 179.95 2dmu h GLN 18 N 0.14 0.06 -0.64 1.92 4.20 -1.52 -2.26 115.11 117.01 2dmu h GLN 18 Ca 0.05 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2dmu h GLN 18 Cb 0.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2dmu h GLN 18 CO -0.01 0.04 0.12 -0.07 -0.67 0.00 0.00 178.83 178.25 2dmu h LEU 19 N 0.06 1.00 -0.22 1.46 3.38 -0.68 -2.76 115.31 117.56 2dmu h LEU 19 Ca 0.05 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2dmu h LEU 19 Cb 0.05 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 2dmu h LEU 19 CO -0.08 0.99 -0.25 -0.08 0.09 0.00 0.00 178.44 179.11 2dmu h GLU 20 N 0.96 -0.26 0.15 1.13 4.81 0.01 0.15 114.58 121.53 2dmu h GLU 20 Ca 0.20 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2dmu h GLU 20 Cb 0.40 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2dmu h GLU 20 CO 0.01 -0.17 -0.18 0.00 -0.73 0.00 0.00 179.01 177.93 2dmu h ALA 21 N 0.73 -0.34 -0.70 2.92 0.00 -1.34 0.44 119.26 120.97 2dmu h ALA 21 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2dmu h ALA 21 Cb 0.47 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2dmu h ALA 21 CO -0.37 -0.72 0.30 -0.07 0.00 0.00 0.00 179.25 178.39 2dmu h LEU 22 N -0.38 0.34 -0.84 0.00 3.38 -1.15 0.23 115.31 116.90 2dmu h LEU 22 Ca 0.01 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2dmu h LEU 22 Cb 0.37 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dmu h LEU 22 CO -0.07 0.18 -0.47 -0.33 0.09 0.00 0.00 178.44 177.84 2dmu h GLU 23 N 0.50 0.00 0.00 1.13 5.08 -0.31 -0.13 114.58 120.85 2dmu h GLU 23 Ca 0.36 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.63 2dmu h GLU 23 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2dmu h GLU 23 CO -0.32 0.47 -0.45 -0.91 -1.00 0.00 0.00 179.01 176.80 2dmu h ASN 24 N 0.00 0.00 0.09 1.42 2.35 0.20 -2.16 115.58 117.49 2dmu h ASN 24 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2dmu h ASN 24 Cb 0.99 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 2dmu h ASN 24 CO 0.06 0.45 -1.87 -0.11 -1.65 0.00 0.00 177.43 174.31 2dmu n LEU 25 N -3.32 2.48 0.23 1.61 7.94 0.60 -3.36 117.00 123.17 2dmu n LEU 25 Ca 0.01 0.24 0.10 0.00 -1.11 0.00 0.00 56.01 55.26 2dmu n LEU 25 Cb 0.65 -1.08 0.52 0.00 0.53 0.00 0.00 43.42 44.04 2dmu n LEU 25 CO 0.39 0.73 0.84 0.15 -1.11 0.00 0.00 177.39 178.39 2dmu h PHE 26 N -0.18 0.00 0.01 1.96 3.57 -1.11 -1.50 116.94 119.69 2dmu h PHE 26 Ca -0.42 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2dmu h PHE 26 Cb 1.87 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.61 2dmu h PHE 26 CO 0.08 0.21 -0.00 1.96 -2.23 0.00 0.00 178.31 178.32 2dmu h GLN 27 N 0.00 -0.01 -0.42 1.11 1.08 -1.54 -3.35 115.11 111.98 2dmu h GLN 27 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2dmu h GLN 27 Cb 0.65 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2dmu h GLN 27 CO 0.03 0.80 0.12 1.05 -0.95 0.00 0.00 178.83 179.88 2dmu h GLU 28 N -0.88 0.66 -4.87 1.46 4.11 -1.55 -3.43 114.58 110.07 2dmu h GLU 28 Ca -0.00 -0.15 -0.42 0.00 0.07 0.00 0.00 59.36 58.86 2dmu h GLU 28 Cb 0.81 -0.09 -0.29 0.00 0.50 0.00 0.00 28.75 29.68 2dmu h GLU 28 CO 0.00 0.66 -0.79 -0.08 0.07 0.00 0.00 179.01 178.87 2dmu s THR 29 N -5.37 0.83 0.20 -1.06 -1.32 -0.57 -5.04 115.64 103.33 2dmu s THR 29 Ca -0.13 -0.44 -0.01 0.00 -1.21 0.00 0.00 61.69 59.89 2dmu s THR 29 Cb 0.10 -0.70 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 2dmu s THR 29 CO 0.77 0.24 1.53 0.11 -2.21 0.00 0.00 174.62 175.06 2dmu h LYS 30 N 5.93 0.50 -3.50 7.08 1.79 -1.82 -3.34 116.57 123.22 2dmu h LYS 30 Ca -0.32 -0.31 -0.57 0.00 -2.18 0.00 0.00 60.65 57.28 2dmu h LYS 30 Cb 1.17 0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 31.46 2dmu h LYS 30 CO 0.49 0.91 -0.76 0.71 -1.08 0.00 0.00 179.45 179.72 2dmu s TYR 31 N -3.99 1.46 0.85 -1.35 2.02 -1.26 -4.96 117.35 110.12 2dmu s TYR 31 Ca -0.07 -1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 55.03 2dmu s TYR 31 Cb 0.12 -1.51 0.10 0.00 -0.40 0.00 0.00 41.96 40.27 2dmu s TYR 31 CO 0.83 -0.82 1.09 -1.25 -1.57 0.00 0.00 175.55 173.83 2dmu s PRO 32 N 1.70 1.65 0.19 -1.71 0.04 -1.26 -5.06 135.00 130.55 2dmu s PRO 32 Ca 0.07 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.13 2dmu s PRO 32 Cb -0.17 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2dmu s PRO 32 CO -0.23 -2.01 0.15 -0.51 0.04 0.00 0.00 177.00 174.44 2dmu s ASP 33 N -3.41 5.47 0.31 6.66 1.01 -1.26 -4.94 116.67 120.51 2dmu s ASP 33 Ca 0.63 -0.19 0.08 0.00 0.71 0.00 0.00 52.55 53.78 2dmu s ASP 33 Cb -0.18 -1.40 0.89 0.00 1.01 0.00 0.00 42.92 43.25 2dmu s ASP 33 CO 0.57 0.04 1.65 1.62 0.21 0.00 0.00 175.17 179.26 2dmu h VAL 34 N 1.90 0.30 -0.47 -1.27 3.04 -1.98 0.17 116.25 117.93 2dmu h VAL 34 Ca -0.48 -0.09 0.09 0.00 -1.01 0.00 0.00 66.70 65.21 2dmu h VAL 34 Cb 1.21 0.02 -0.07 0.00 -2.01 0.00 0.00 31.29 30.43 2dmu h VAL 34 CO 0.62 0.05 0.02 1.23 -1.01 0.00 0.00 177.57 178.48 2dmu h GLY 35 N 0.26 0.51 1.01 3.17 0.00 -2.00 0.18 103.07 106.20 2dmu h GLY 35 Ca 0.64 0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.82 2dmu h GLY 35 CO -0.64 -0.11 -0.71 -0.84 0.00 0.00 0.00 176.54 174.24 2dmu h THR 36 N 0.14 1.33 0.63 4.70 2.02 -1.18 -3.25 112.91 117.31 2dmu h THR 36 Ca 0.24 -1.99 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 2dmu h THR 36 Cb 0.35 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2dmu h THR 36 CO -0.37 0.61 -0.42 0.03 0.37 0.00 0.00 175.52 175.73 2dmu h ARG 37 N 0.26 -0.96 -0.98 6.66 3.08 -0.50 0.22 114.38 122.16 2dmu h ARG 37 Ca -0.07 0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.19 2dmu h ARG 37 Cb 1.36 0.22 -0.15 0.00 0.08 0.00 0.00 29.97 31.48 2dmu h ARG 37 CO 0.14 -0.64 -0.43 0.39 -1.07 0.00 0.00 179.97 178.37 2dmu n GLU 38 N -5.06 -0.28 0.28 0.04 1.02 0.58 -0.48 120.64 116.74 2dmu n GLU 38 Ca -0.12 1.51 -0.16 0.00 -0.02 0.00 0.00 57.16 58.37 2dmu n GLU 38 Cb 0.42 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.52 2dmu n GLU 38 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2dmu h GLN 39 N 0.00 -0.65 -1.01 3.49 4.20 -1.56 -2.77 115.11 116.82 2dmu h GLN 39 Ca 0.30 0.04 0.34 0.00 0.06 0.00 0.00 58.65 59.40 2dmu h GLN 39 Cb 0.55 0.15 -0.15 0.00 0.30 0.00 0.00 27.48 28.32 2dmu h GLN 39 CO -0.96 -0.38 0.57 1.25 -0.67 0.00 0.00 178.83 178.63 2dmu h LEU 40 N -0.80 0.48 0.72 1.46 5.85 0.11 0.29 115.31 123.41 2dmu h LEU 40 Ca -0.07 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2dmu h LEU 40 Cb 0.57 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.77 2dmu h LEU 40 CO 0.11 -0.19 -0.35 0.00 -0.34 0.00 0.00 178.44 177.68 2dmu h ALA 41 N 1.87 -1.12 -0.64 1.25 0.00 -0.55 0.39 119.26 120.46 2dmu h ALA 41 Ca 0.76 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.57 2dmu h ALA 41 Cb 1.80 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 2dmu h ALA 41 CO -0.63 -1.05 0.43 0.07 0.00 0.00 0.00 179.25 178.07 2dmu h ARG 42 N -1.08 0.38 -0.29 0.00 0.11 -0.89 1.04 114.38 113.64 2dmu h ARG 42 Ca -0.10 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.86 2dmu h ARG 42 Cb 0.74 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2dmu h ARG 42 CO 0.16 0.25 -0.19 -0.22 0.10 0.00 0.00 179.97 180.07 2dmu h LYS 43 N 0.39 0.64 -0.01 0.08 3.64 -0.35 -2.99 116.57 117.97 2dmu h LYS 43 Ca 0.30 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dmu h LYS 43 Cb 0.66 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2dmu h LYS 43 CO -0.08 0.89 -0.18 1.33 -2.27 0.00 0.00 179.45 179.14 2dmu n VAL 44 N -4.36 0.00 -3.07 2.00 0.24 0.11 -4.94 118.33 108.31 2dmu n VAL 44 Ca -0.04 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2dmu n VAL 44 Cb 0.41 0.25 0.05 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 -0.67 -1.65 -4.50 6.34 8.25 0.34 -4.78 115.22 118.54 2dmu n HIS 45 Ca 0.14 0.64 -0.25 0.00 -0.26 0.00 0.00 57.72 57.98 2dmu n HIS 45 Cb 0.32 -3.81 -0.08 0.00 1.12 0.00 0.00 29.99 27.55 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 -4.96 1.99 -0.16 2.41 1.43 0.17 -4.99 118.68 114.56 2dmu s LEU 46 Ca 0.20 -1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 51.47 2dmu s LEU 46 Cb -0.09 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 2dmu s LEU 46 CO 0.47 -0.92 0.42 -0.13 0.23 0.00 0.00 176.35 176.42 2dmu s ARG 47 N -3.72 4.26 0.29 1.70 1.81 -1.26 -4.20 118.95 117.83 2dmu s ARG 47 Ca 0.25 0.29 -0.03 0.00 -1.72 0.00 0.00 55.73 54.53 2dmu s ARG 47 Cb 0.03 -3.48 0.60 0.00 -0.45 0.00 0.00 34.95 31.65 2dmu s ARG 47 CO 0.15 0.08 1.53 0.39 -0.68 0.00 0.00 175.30 176.77 2dmu n GLU 48 N 4.02 -0.08 -0.22 3.54 4.71 -1.26 0.84 120.64 132.18 2dmu n GLU 48 Ca -0.08 1.50 0.03 0.00 -0.01 0.00 0.00 57.16 58.59 2dmu n GLU 48 Cb 0.51 -2.31 0.14 0.00 -1.01 0.00 0.00 31.44 28.77 2dmu n GLU 48 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2dmu h GLU 49 N 0.00 0.18 -0.46 3.49 4.11 -1.98 -0.43 114.58 119.49 2dmu h GLU 49 Ca 0.53 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.96 2dmu h GLU 49 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2dmu h GLU 49 CO -0.96 0.12 0.30 0.87 0.07 0.00 0.00 179.01 179.41 2dmu h LYS 50 N 0.19 0.59 -0.85 1.06 1.57 0.04 -2.57 116.57 116.59 2dmu h LYS 50 Ca 0.36 -0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.32 2dmu h LYS 50 Cb 0.60 -0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.63 2dmu h LYS 50 CO -0.52 0.39 0.14 0.28 -0.57 0.00 0.00 179.45 179.17 2dmu h VAL 51 N 0.61 0.29 -0.43 0.50 2.07 -0.59 0.21 116.25 118.91 2dmu h VAL 51 Ca 0.17 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 2dmu h VAL 51 Cb -0.06 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 2dmu h VAL 51 CO -0.05 0.03 0.01 -0.08 0.02 0.00 0.00 177.57 177.50 2dmu h GLU 52 N 0.15 0.74 0.09 1.57 4.81 -1.26 -3.18 114.58 117.51 2dmu h GLU 52 Ca 0.51 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2dmu h GLU 52 Cb 1.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 2dmu h GLU 52 CO -0.69 0.81 -0.34 0.28 -0.73 0.00 0.00 179.01 178.34 2dmu h VAL 53 N 0.58 0.00 -0.97 0.32 2.07 -0.33 -1.07 116.25 116.86 2dmu h VAL 53 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.83 2dmu h VAL 53 Cb 0.47 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.06 2dmu h VAL 53 CO 0.02 0.00 -0.27 -0.25 0.02 0.00 0.00 177.57 177.09 2dmu h TRP 54 N -0.50 -0.63 0.56 1.57 7.01 -1.41 -0.39 115.95 122.17 2dmu h TRP 54 Ca -0.01 0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2dmu h TRP 54 Cb 0.50 0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2dmu h TRP 54 CO -0.39 -0.41 -0.46 0.74 -2.79 0.00 0.00 178.44 175.13 2dmu h PHE 55 N -0.00 -1.25 -0.97 2.65 -1.00 -1.40 -0.97 116.94 113.99 2dmu h PHE 55 Ca 0.44 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.37 2dmu h PHE 55 Cb 0.68 0.47 -0.16 0.00 3.61 0.00 0.00 35.95 40.56 2dmu h PHE 55 CO -0.77 -0.64 -0.38 1.63 -1.61 0.00 0.00 178.31 176.54 2dmu n LYS 56 N -5.25 -0.23 0.39 1.51 5.02 -0.23 -1.22 118.16 118.15 2dmu n LYS 56 Ca -0.12 1.49 -0.17 0.00 -2.02 0.00 0.00 58.31 57.49 2dmu n LYS 56 Cb 0.44 -2.22 -0.09 0.00 -0.02 0.00 0.00 35.03 33.14 2dmu n LYS 56 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2dmu h ASN 57 N 0.00 -1.08 -0.81 4.39 2.35 -1.15 -3.09 115.58 116.19 2dmu h ASN 57 Ca 0.33 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.24 2dmu h ASN 57 Cb 0.58 0.31 -0.11 0.00 0.05 0.00 0.00 38.32 39.15 2dmu h ASN 57 CO -0.96 -0.66 -0.41 -1.14 -1.65 0.00 0.00 177.43 172.60 2dmu n ARG 58 N -5.15 -0.29 -0.24 0.81 3.00 -0.36 0.96 116.66 115.40 2dmu n ARG 58 Ca -0.13 1.23 0.16 0.00 -0.00 0.00 0.00 57.85 59.11 2dmu n ARG 58 Cb 0.44 -1.82 0.31 0.00 0.00 0.00 0.00 32.46 31.39 2dmu n ARG 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2dmu n ARG 59 N -5.09 -0.05 0.03 -0.14 0.63 -0.61 0.18 116.66 111.61 2dmu n ARG 59 Ca 0.04 1.02 -0.11 0.00 -0.92 0.00 0.00 57.85 57.89 2dmu n ARG 59 Cb 0.26 -1.72 -0.06 0.00 0.45 0.00 0.00 32.46 31.38 2dmu n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dmu h ALA 60 N 1.42 0.00 -0.01 5.13 0.00 0.51 -2.38 119.26 123.93 2dmu h ALA 60 Ca 0.51 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 2dmu h ALA 60 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2dmu h ALA 60 CO -0.61 -0.51 -0.46 -0.22 0.00 0.00 0.00 179.25 177.45 2dmu h LYS 61 N -0.03 0.02 -0.92 0.00 1.63 0.19 0.21 116.57 117.67 2dmu h LYS 61 Ca 0.02 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 2dmu h LYS 61 Cb 0.07 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.63 2dmu h LYS 61 CO -0.06 0.47 0.57 2.35 -3.45 0.00 0.00 179.45 179.34 2dmu h TRP 62 N 0.02 1.04 0.07 1.91 7.01 -0.13 -0.05 115.95 125.81 2dmu h TRP 62 Ca -0.00 0.03 -0.37 0.00 2.11 0.00 0.00 58.89 60.65 2dmu h TRP 62 Cb 0.81 -0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.50 2dmu h TRP 62 CO 0.00 0.47 -2.20 -2.13 -2.79 0.00 0.00 178.44 171.80 2dmu n ARG 63 N -4.63 0.70 -0.12 2.65 0.63 -1.06 -3.44 116.66 111.39 2dmu n ARG 63 Ca 0.15 0.22 -0.05 0.00 -0.92 0.00 0.00 57.85 57.26 2dmu n ARG 63 Cb 0.25 -1.62 0.03 0.00 0.45 0.00 0.00 32.46 31.56 2dmu n ARG 63 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2dmu h ARG 64 N -0.01 0.12 0.24 -0.14 9.65 -0.49 -2.96 114.38 120.78 2dmu h ARG 64 Ca -0.50 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 2dmu h ARG 64 Cb 1.95 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.50 2dmu h ARG 64 CO -0.01 0.08 -0.12 1.03 2.80 0.00 0.00 179.97 183.76 2dmu h SER 65 N 0.12 -0.27 -4.84 -3.80 0.87 -1.21 -3.50 113.55 100.92 2dmu h SER 65 Ca 0.20 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2dmu h SER 65 Cb 0.27 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2dmu h SER 65 CO -0.31 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.77 2dmu n GLY 66 N 0.08 2.94 3.11 5.77 0.00 -1.12 -5.01 105.19 110.95 2dmu n GLY 66 Ca -0.09 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 2dmu n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmu n PRO 67 N -1.16 -2.91 -0.27 1.61 -0.04 -1.26 -4.87 135.00 126.09 2dmu n PRO 67 Ca 0.00 -1.55 0.08 0.00 -0.04 0.00 0.00 63.50 61.99 2dmu n PRO 67 Cb 0.00 -1.45 0.21 0.00 -0.04 0.00 0.00 33.50 32.21 2dmu n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmu h SER 68 N -2.53 -0.18 -3.34 3.54 4.64 -1.99 -3.32 113.55 110.37 2dmu h SER 68 Ca -0.37 0.19 -0.65 0.00 -0.47 0.00 0.00 61.79 60.49 2dmu h SER 68 Cb 1.11 0.30 -0.15 0.00 -0.31 0.00 0.00 62.40 63.35 2dmu h SER 68 CO 0.24 -0.15 0.23 -0.44 -0.87 0.00 0.00 176.83 175.84 2dmu s SER 69 N -5.16 6.29 0.00 4.97 0.01 -1.26 -5.30 113.70 113.25 2dmu s SER 69 Ca -0.13 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.58 2dmu s SER 69 Cb 0.23 -2.34 0.12 0.00 0.21 0.00 0.00 66.02 64.24 2dmu s SER 69 CO 0.76 -0.96 0.61 0.61 0.41 0.00 0.00 173.24 174.67