#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmu n SER 2 N 0.00 -4.89 -4.87 1.61 3.41 -1.26 -4.95 113.62 102.67 2dmu n SER 2 Ca 0.00 -0.72 -0.37 0.00 -0.26 0.00 0.00 58.87 57.52 2dmu n SER 2 Cb 0.00 -3.91 -0.06 0.00 -0.26 0.00 0.00 64.21 59.98 2dmu n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmu s SER 3 N -3.23 6.48 0.00 4.04 1.04 -1.26 -5.00 113.70 115.78 2dmu s SER 3 Ca 0.63 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2dmu s SER 3 Cb -0.32 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2dmu s SER 3 CO 0.78 0.38 0.00 0.61 0.98 0.00 0.00 173.24 176.00 2dmu n GLY 4 N 1.98 0.13 3.27 7.32 0.00 -1.26 -5.17 105.19 111.46 2dmu n GLY 4 Ca -0.18 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2dmu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmu s SER 5 N 1.02 0.22 0.07 1.61 1.04 -1.26 -5.18 113.70 111.22 2dmu s SER 5 Ca 0.00 -1.34 -0.15 0.00 0.48 0.00 0.00 55.95 54.94 2dmu s SER 5 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2dmu s SER 5 CO 0.00 -0.91 0.35 -0.44 0.98 0.00 0.00 173.24 173.22 2dmu s SER 6 N -3.15 -0.18 0.80 7.02 0.01 -1.26 -5.15 113.70 111.79 2dmu s SER 6 Ca 0.36 -0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.25 2dmu s SER 6 Cb 0.05 0.41 -0.08 0.00 0.21 0.00 0.00 66.02 66.61 2dmu s SER 6 CO 0.13 -0.71 -0.03 0.61 0.41 0.00 0.00 173.24 173.65 2dmu n GLY 7 N 0.27 -2.91 3.42 3.44 0.00 -1.26 -4.93 105.19 103.22 2dmu n GLY 7 Ca -0.18 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2dmu n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmu s ARG 8 N -2.32 3.15 -1.47 1.61 1.81 -1.26 -4.50 118.95 115.96 2dmu s ARG 8 Ca 0.54 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 53.59 2dmu s ARG 8 Cb -0.30 -3.64 0.06 0.00 -0.45 0.00 0.00 34.95 30.62 2dmu s ARG 8 CO 0.69 -0.53 0.98 0.54 -0.68 0.00 0.00 175.30 176.30 2dmu n ARG 9 N 4.99 -5.85 -3.95 3.54 1.74 -1.26 -4.97 116.66 110.90 2dmu n ARG 9 Ca -0.13 0.64 -0.23 0.00 -0.77 0.00 0.00 57.85 57.36 2dmu n ARG 9 Cb 0.48 -5.52 -0.17 0.00 -1.02 0.00 0.00 32.46 26.23 2dmu n ARG 9 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2dmu s HIS 10 N -3.35 0.95 -0.02 -1.55 3.76 -1.26 -5.13 115.29 108.69 2dmu s HIS 10 Ca 0.56 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 54.92 2dmu s HIS 10 Cb -0.27 -0.90 -0.05 0.00 1.11 0.00 0.00 32.58 32.46 2dmu s HIS 10 CO 0.81 -0.34 0.56 0.50 -0.85 0.00 0.00 174.74 175.42 2dmu s ARG 11 N 1.57 4.28 0.00 1.40 3.52 -1.26 -4.84 118.95 123.62 2dmu s ARG 11 Ca -0.00 0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 56.13 2dmu s ARG 11 Cb -0.13 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 2dmu s ARG 11 CO -0.04 0.38 0.37 0.99 -0.81 0.00 0.00 175.30 176.18 2dmu s THR 12 N -0.18 5.12 0.12 4.11 2.01 -1.26 -5.10 115.64 120.46 2dmu s THR 12 Ca 0.29 0.64 0.08 0.00 0.31 0.00 0.00 61.69 63.02 2dmu s THR 12 Cb -0.18 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2dmu s THR 12 CO 0.16 0.51 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.89 2dmu s ILE 13 N -1.15 1.70 0.19 1.82 2.07 -1.26 -5.16 121.20 119.40 2dmu s ILE 13 Ca 0.25 -1.64 0.08 0.00 -1.41 0.00 0.00 60.65 57.92 2dmu s ILE 13 Cb -0.15 -1.61 -0.04 0.00 0.13 0.00 0.00 42.46 40.78 2dmu s ILE 13 CO 0.13 -0.16 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.48 2dmu s PHE 14 N -1.46 1.77 0.49 3.50 0.40 -1.26 -5.14 117.98 116.27 2dmu s PHE 14 Ca 0.09 -0.52 -0.19 0.00 -0.60 0.00 0.00 56.93 55.71 2dmu s PHE 14 Cb -0.09 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.51 2dmu s PHE 14 CO 0.05 0.36 1.00 0.95 0.70 0.00 0.00 175.22 178.27 2dmu s THR 15 N -2.53 4.19 0.19 0.64 -4.23 -1.26 -4.88 115.64 107.75 2dmu s THR 15 Ca 0.19 1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 61.76 2dmu s THR 15 Cb -0.03 -3.56 0.15 0.00 1.34 0.00 0.00 72.50 70.40 2dmu s THR 15 CO 0.07 -0.41 1.61 -2.24 -0.54 0.00 0.00 174.62 173.10 2dmu h ASP 16 N 1.38 -0.91 -0.52 3.99 2.03 -2.00 -0.13 116.42 120.27 2dmu h ASP 16 Ca -0.48 0.20 0.10 0.00 -0.73 0.00 0.00 57.03 56.12 2dmu h ASP 16 Cb 1.20 0.48 -0.08 0.00 -0.83 0.00 0.00 39.33 40.09 2dmu h ASP 16 CO 0.60 -0.27 0.01 -0.08 -1.03 0.00 0.00 179.24 178.47 2dmu h GLU 17 N -0.13 0.12 -0.70 4.15 4.81 -1.99 0.21 114.58 121.05 2dmu h GLU 17 Ca 0.24 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2dmu h GLU 17 Cb 0.51 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2dmu h GLU 17 CO -0.62 0.08 0.40 1.96 -0.73 0.00 0.00 179.01 180.10 2dmu h GLN 18 N 0.12 0.72 -0.10 1.92 4.20 -1.37 -1.72 115.11 118.88 2dmu h GLN 18 Ca 0.26 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2dmu h GLN 18 Cb 0.40 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2dmu h GLN 18 CO -0.43 0.48 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.13 2dmu h LEU 19 N 0.74 0.17 -0.37 1.46 3.38 0.02 -1.53 115.31 119.18 2dmu h LEU 19 Ca 0.31 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2dmu h LEU 19 Cb 0.17 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 2dmu h LEU 19 CO -0.18 0.46 -0.19 -0.08 0.09 0.00 0.00 178.44 178.54 2dmu h GLU 20 N -0.11 -0.12 0.74 1.13 4.81 -0.28 0.21 114.58 120.97 2dmu h GLU 20 Ca 0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2dmu h GLU 20 Cb 0.37 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.78 2dmu h GLU 20 CO 0.01 -0.08 -0.36 0.00 -0.73 0.00 0.00 179.01 177.85 2dmu h ALA 21 N 1.13 -1.00 -0.27 2.92 0.00 -1.31 -0.29 119.26 120.44 2dmu h ALA 21 Ca 0.19 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dmu h ALA 21 Cb 0.41 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2dmu h ALA 21 CO -0.45 -1.01 -0.47 -0.07 0.00 0.00 0.00 179.25 177.25 2dmu h LEU 22 N -1.10 -1.52 -1.24 0.00 3.38 -0.98 0.53 115.31 114.37 2dmu h LEU 22 Ca -0.10 0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2dmu h LEU 22 Cb 0.78 0.63 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 2dmu h LEU 22 CO 0.17 -0.42 0.56 -0.33 0.09 0.00 0.00 178.44 178.51 2dmu h GLU 23 N -0.44 0.82 0.00 1.13 5.08 -0.60 0.14 114.58 120.71 2dmu h GLU 23 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2dmu h GLU 23 Cb 0.62 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dmu h GLU 23 CO -0.50 0.54 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.02 2dmu h ASN 24 N 0.84 0.00 0.02 1.42 2.35 0.89 0.22 115.58 121.33 2dmu h ASN 24 Ca 0.40 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.99 2dmu h ASN 24 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2dmu h ASN 24 CO -0.17 0.12 -0.86 0.25 -1.65 0.00 0.00 177.43 175.12 2dmu h LEU 25 N 0.00 0.06 -1.72 1.61 5.85 0.57 -3.13 115.31 118.55 2dmu h LEU 25 Ca -0.00 -0.73 -0.03 0.00 0.84 0.00 0.00 57.88 57.96 2dmu h LEU 25 Cb 0.23 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2dmu h LEU 25 CO 0.02 1.35 -0.15 0.15 -0.34 0.00 0.00 178.44 179.46 2dmu h PHE 26 N -0.89 0.00 0.15 1.25 3.57 -0.73 -0.36 116.94 119.93 2dmu h PHE 26 Ca -0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 2dmu h PHE 26 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2dmu h PHE 26 CO 0.16 0.15 -0.07 1.96 -2.23 0.00 0.00 178.31 178.28 2dmu h GLN 27 N 0.00 -0.19 0.01 1.11 1.08 -0.70 -3.33 115.11 113.09 2dmu h GLN 27 Ca -0.00 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dmu h GLN 27 Cb 0.27 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2dmu h GLN 27 CO 0.02 0.25 -0.00 1.05 -0.95 0.00 0.00 178.83 179.20 2dmu h GLU 28 N -0.77 -0.01 -5.00 1.46 4.11 -1.46 -3.43 114.58 109.48 2dmu h GLU 28 Ca -0.02 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.85 2dmu h GLU 28 Cb 0.53 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.46 2dmu h GLU 28 CO 0.03 0.10 -0.83 -0.08 0.07 0.00 0.00 179.01 178.30 2dmu s THR 29 N -5.77 1.39 0.11 -1.06 -1.32 -0.16 -5.04 115.64 103.79 2dmu s THR 29 Ca -0.14 -0.66 -0.18 0.00 -1.21 0.00 0.00 61.69 59.51 2dmu s THR 29 Cb 0.05 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 2dmu s THR 29 CO 0.66 0.41 1.63 0.11 -2.21 0.00 0.00 174.62 175.22 2dmu h LYS 30 N 6.59 0.48 -4.22 7.08 1.79 -1.81 -3.33 116.57 123.14 2dmu h LYS 30 Ca -0.30 -0.10 -0.62 0.00 -2.18 0.00 0.00 60.65 57.44 2dmu h LYS 30 Cb 1.19 -0.07 -0.40 0.00 -1.58 0.00 0.00 32.23 31.37 2dmu h LYS 30 CO 0.48 0.53 -0.75 0.71 -1.08 0.00 0.00 179.45 179.34 2dmu s TYR 31 N -5.40 2.77 0.97 -1.35 1.51 -1.26 -4.91 117.35 109.68 2dmu s TYR 31 Ca -0.13 -2.31 -0.12 0.00 -1.01 0.00 0.00 57.07 53.49 2dmu s TYR 31 Cb 0.09 -2.23 0.17 0.00 -0.11 0.00 0.00 41.96 39.88 2dmu s TYR 31 CO 0.74 -0.89 1.09 -1.25 -1.11 0.00 0.00 175.55 174.13 2dmu s PRO 32 N 1.25 0.65 0.12 -1.71 0.04 -1.26 -5.06 135.00 129.03 2dmu s PRO 32 Ca 0.07 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.74 2dmu s PRO 32 Cb -0.18 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2dmu s PRO 32 CO -0.14 -2.61 0.24 -0.51 0.04 0.00 0.00 177.00 174.02 2dmu s ASP 33 N -3.44 6.21 0.30 6.66 1.01 -1.26 -4.97 116.67 121.19 2dmu s ASP 33 Ca 0.65 0.16 0.06 0.00 0.71 0.00 0.00 52.55 54.12 2dmu s ASP 33 Cb -0.18 -1.85 0.80 0.00 1.01 0.00 0.00 42.92 42.70 2dmu s ASP 33 CO 0.57 0.09 1.67 1.62 0.21 0.00 0.00 175.17 179.34 2dmu h VAL 34 N 1.86 0.38 -0.61 -1.27 3.04 -1.99 0.15 116.25 117.81 2dmu h VAL 34 Ca -0.47 -0.11 0.06 0.00 -1.01 0.00 0.00 66.70 65.16 2dmu h VAL 34 Cb 1.18 0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 30.44 2dmu h VAL 34 CO 0.70 0.06 0.32 1.23 -1.01 0.00 0.00 177.57 178.87 2dmu h GLY 35 N 0.32 0.88 0.84 3.17 0.00 -2.00 -1.23 103.07 105.04 2dmu h GLY 35 Ca 0.60 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 2dmu h GLY 35 CO -0.59 0.12 -0.02 -0.84 0.00 0.00 0.00 176.54 175.22 2dmu h THR 36 N 0.59 1.27 -0.22 4.70 2.02 -1.14 -3.01 112.91 117.12 2dmu h THR 36 Ca 0.27 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.55 2dmu h THR 36 Cb 0.19 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2dmu h THR 36 CO -0.19 0.29 -0.09 0.03 0.37 0.00 0.00 175.52 175.94 2dmu h ARG 37 N 0.18 -0.06 -0.36 6.66 3.08 -0.94 0.17 114.38 123.11 2dmu h ARG 37 Ca 0.06 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.20 2dmu h ARG 37 Cb 0.44 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 2dmu h ARG 37 CO 0.02 -0.04 -0.25 0.93 -1.07 0.00 0.00 179.97 179.55 2dmu h GLU 38 N -0.06 -0.20 0.18 0.04 5.08 -1.22 0.19 114.58 118.59 2dmu h GLU 38 Ca 0.12 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2dmu h GLU 38 Cb 0.23 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dmu h GLU 38 CO -0.26 -0.13 -0.09 1.96 -1.00 0.00 0.00 179.01 179.49 2dmu h GLN 39 N -0.20 -0.23 -0.70 2.33 1.08 -1.32 -3.00 115.11 113.06 2dmu h GLN 39 Ca 0.17 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.54 2dmu h GLN 39 Cb 0.48 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.86 2dmu h GLN 39 CO -0.48 -0.03 0.16 1.25 -0.95 0.00 0.00 178.83 178.78 2dmu h LEU 40 N -0.39 -0.00 -0.02 1.46 5.85 -0.15 -0.20 115.31 121.86 2dmu h LEU 40 Ca -0.02 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2dmu h LEU 40 Cb 0.30 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2dmu h LEU 40 CO 0.04 -0.03 -0.14 0.00 -0.34 0.00 0.00 178.44 177.98 2dmu h ALA 41 N 1.58 -0.58 -0.64 1.25 0.00 -0.51 0.28 119.26 120.64 2dmu h ALA 41 Ca 0.39 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.43 2dmu h ALA 41 Cb 0.63 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2dmu h ALA 41 CO -0.48 -0.63 0.44 0.00 0.00 0.00 0.00 179.25 178.58 2dmu h ARG 42 N -0.16 0.17 -0.47 0.00 3.08 -1.40 0.48 114.38 116.09 2dmu h ARG 42 Ca 0.01 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2dmu h ARG 42 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2dmu h ARG 42 CO -0.10 0.12 0.03 -0.22 -1.07 0.00 0.00 179.97 178.73 2dmu h LYS 43 N 0.18 0.81 -0.62 0.04 1.63 0.28 -2.79 116.57 116.10 2dmu h LYS 43 Ca 0.31 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2dmu h LYS 43 Cb 0.96 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2dmu h LYS 43 CO -0.05 0.84 0.00 1.33 -3.45 0.00 0.00 179.45 178.12 2dmu n VAL 44 N -4.39 0.82 -3.50 2.00 0.24 0.87 -4.94 118.33 109.42 2dmu n VAL 44 Ca 0.01 -0.84 -0.19 0.00 -2.04 0.00 0.00 64.34 61.28 2dmu n VAL 44 Cb 0.28 0.45 0.08 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.35 -2.28 -4.35 6.34 8.25 0.13 -4.78 115.22 119.89 2dmu n HIS 45 Ca 0.21 0.94 -0.19 0.00 -0.26 0.00 0.00 57.72 58.42 2dmu n HIS 45 Cb 0.54 -4.98 -0.09 0.00 1.12 0.00 0.00 29.99 26.58 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 -6.59 1.71 0.08 2.41 1.43 0.73 -4.98 118.68 113.48 2dmu s LEU 46 Ca 0.12 -1.56 -0.07 0.00 -1.03 0.00 0.00 54.13 51.58 2dmu s LEU 46 Cb -0.05 0.16 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 2dmu s LEU 46 CO 0.74 -0.88 0.35 -0.13 0.23 0.00 0.00 176.35 176.66 2dmu s ARG 47 N -3.81 3.67 0.26 1.70 3.00 -1.26 -3.76 118.95 118.75 2dmu s ARG 47 Ca 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 55.73 56.08 2dmu s ARG 47 Cb 0.05 -2.98 0.53 0.00 0.00 0.00 0.00 34.95 32.55 2dmu s ARG 47 CO 0.17 0.56 1.72 0.93 0.00 0.00 0.00 175.30 178.68 2dmu h GLU 48 N 3.53 0.43 -0.32 3.54 3.07 -1.91 -0.22 114.58 122.69 2dmu h GLU 48 Ca -0.48 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.36 2dmu h GLU 48 Cb 1.19 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 2dmu h GLU 48 CO 0.68 0.28 0.20 1.05 -1.40 0.00 0.00 179.01 179.82 2dmu h GLU 49 N 0.44 0.39 -0.20 2.33 4.11 -1.97 -2.36 114.58 117.32 2dmu h GLU 49 Ca 0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.86 2dmu h GLU 49 Cb 0.74 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2dmu h GLU 49 CO -0.44 0.26 0.13 0.87 0.07 0.00 0.00 179.01 179.90 2dmu h LYS 50 N 0.40 0.27 -0.60 1.06 1.79 -1.53 -2.52 116.57 115.44 2dmu h LYS 50 Ca 0.12 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.69 2dmu h LYS 50 Cb -0.01 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.49 2dmu h LYS 50 CO -0.05 0.20 0.09 0.28 -1.08 0.00 0.00 179.45 178.89 2dmu h VAL 51 N 0.26 0.60 -0.61 0.50 2.07 -0.86 -0.90 116.25 117.31 2dmu h VAL 51 Ca 0.07 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2dmu h VAL 51 Cb -0.01 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2dmu h VAL 51 CO -0.02 0.04 0.38 -0.08 0.02 0.00 0.00 177.57 177.91 2dmu h GLU 52 N 0.21 0.72 -0.05 1.57 4.57 -1.16 -2.92 114.58 117.52 2dmu h GLU 52 Ca 0.32 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.49 2dmu h GLU 52 Cb 0.49 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.86 2dmu h GLU 52 CO -0.44 0.48 -0.39 0.28 -1.18 0.00 0.00 179.01 177.76 2dmu h VAL 53 N 0.74 0.20 -0.93 0.32 2.07 -0.75 -1.62 116.25 116.28 2dmu h VAL 53 Ca 0.24 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.01 2dmu h VAL 53 Cb 0.01 0.20 -0.17 0.00 -1.52 0.00 0.00 31.29 29.81 2dmu h VAL 53 CO -0.10 0.00 0.04 -0.25 0.02 0.00 0.00 177.57 177.29 2dmu h TRP 54 N -0.51 -0.01 -0.65 1.57 7.01 -1.26 0.62 115.95 122.72 2dmu h TRP 54 Ca 0.07 0.07 0.06 0.00 2.11 0.00 0.00 58.89 61.19 2dmu h TRP 54 Cb 0.62 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.78 2dmu h TRP 54 CO -0.42 -0.37 0.36 0.74 -2.79 0.00 0.00 178.44 175.95 2dmu h PHE 55 N 0.05 0.66 0.06 2.65 -1.00 -1.28 -2.12 116.94 115.96 2dmu h PHE 55 Ca 0.56 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.37 2dmu h PHE 55 Cb 1.11 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.45 2dmu h PHE 55 CO -0.46 0.31 -0.13 0.87 -1.61 0.00 0.00 178.31 177.29 2dmu h LYS 56 N 0.66 -0.24 0.17 1.51 6.56 0.52 0.07 116.57 125.83 2dmu h LYS 56 Ca 0.29 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2dmu h LYS 56 Cb 0.19 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2dmu h LYS 56 CO -0.18 -0.16 -0.32 -0.91 -2.06 0.00 0.00 179.45 175.82 2dmu h ASN 57 N -0.25 -0.93 -0.26 0.86 2.35 -1.00 -2.24 115.58 114.11 2dmu h ASN 57 Ca 0.03 0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2dmu h ASN 57 Cb 0.28 0.33 -0.08 0.00 0.05 0.00 0.00 38.32 38.90 2dmu h ASN 57 CO -0.09 -0.37 -0.40 0.03 -1.65 0.00 0.00 177.43 174.95 2dmu h ARG 58 N -0.53 -0.38 -1.09 0.81 2.47 -1.36 0.31 114.38 114.61 2dmu h ARG 58 Ca -0.02 0.03 0.40 0.00 -1.26 0.00 0.00 59.98 59.13 2dmu h ARG 58 Cb 0.50 0.09 -0.16 0.00 -1.65 0.00 0.00 29.97 28.74 2dmu h ARG 58 CO -0.12 -0.25 0.63 -0.09 0.56 0.00 0.00 179.97 180.70 2dmu h ARG 59 N -0.39 0.10 -0.17 0.04 2.43 -0.81 0.52 114.38 116.10 2dmu h ARG 59 Ca 0.11 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2dmu h ARG 59 Cb 0.59 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2dmu h ARG 59 CO -0.47 0.07 -0.01 0.00 -1.51 0.00 0.00 179.97 178.05 2dmu h ALA 60 N 1.85 0.14 -0.08 2.80 0.00 -0.31 -0.81 119.26 122.85 2dmu h ALA 60 Ca 0.81 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.74 2dmu h ALA 60 Cb 2.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 2dmu h ALA 60 CO -0.64 -0.45 -0.11 -0.22 0.00 0.00 0.00 179.25 177.84 2dmu h LYS 61 N 0.05 0.12 0.44 0.00 3.11 0.07 -0.86 116.57 119.50 2dmu h LYS 61 Ca 0.08 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 2dmu h LYS 61 Cb 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2dmu h LYS 61 CO -0.14 0.23 -0.21 2.35 -2.81 0.00 0.00 179.45 178.87 2dmu h TRP 62 N 0.11 -0.55 -0.86 1.91 7.01 -0.59 -1.16 115.95 121.82 2dmu h TRP 62 Ca 0.03 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.11 2dmu h TRP 62 Cb 0.27 0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 2dmu h TRP 62 CO 0.00 -0.34 0.56 0.07 -2.79 0.00 0.00 178.44 175.94 2dmu h ARG 63 N -0.89 0.80 0.60 2.65 0.11 -1.16 -1.82 114.38 114.67 2dmu h ARG 63 Ca -0.06 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 2dmu h ARG 63 Cb 0.46 -0.18 0.01 0.00 1.11 0.00 0.00 29.97 31.36 2dmu h ARG 63 CO 0.10 0.53 -0.29 -0.09 0.10 0.00 0.00 179.97 180.32 2dmu h ARG 64 N 0.82 -0.77 0.08 0.08 9.65 -1.19 -3.27 114.38 119.78 2dmu h ARG 64 Ca 0.40 0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.35 2dmu h ARG 64 Cb 0.44 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.14 2dmu h ARG 64 CO -0.17 -0.47 -0.49 1.03 2.80 0.00 0.00 179.97 182.67 2dmu h SER 65 N -0.97 -1.49 -2.54 -3.80 0.87 -0.84 -3.40 113.55 101.39 2dmu h SER 65 Ca -0.08 0.16 -0.54 0.00 -1.23 0.00 0.00 61.79 60.10 2dmu h SER 65 Cb 0.66 0.56 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2dmu h SER 65 CO 0.13 -0.53 1.13 -0.83 -0.53 0.00 0.00 176.83 176.21 2dmu s GLY 66 N -2.30 1.51 -0.39 5.77 0.00 -0.72 -4.92 107.32 106.27 2dmu s GLY 66 Ca -0.16 1.11 -0.28 0.00 0.00 0.00 0.00 44.72 45.39 2dmu s GLY 66 CO 0.62 3.17 1.73 2.56 0.00 0.00 0.00 173.10 181.17 2dmu s PRO 67 N 3.98 3.28 0.87 2.90 0.04 -1.26 -4.84 135.00 139.98 2dmu s PRO 67 Ca 0.79 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 2dmu s PRO 67 Cb -0.37 -4.19 0.12 0.00 0.04 0.00 0.00 34.50 30.09 2dmu s PRO 67 CO 0.34 -1.92 1.11 0.45 0.04 0.00 0.00 177.00 177.01 2dmu s SER 68 N 5.92 3.52 -0.00 6.66 0.15 -1.26 -5.06 113.70 123.62 2dmu s SER 68 Ca 0.74 1.86 -0.01 0.00 0.70 0.00 0.00 55.95 59.24 2dmu s SER 68 Cb -0.19 -2.46 -0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dmu s SER 68 CO 0.32 -2.67 0.02 -0.94 1.20 0.00 0.00 173.24 171.17 2dmu s SER 69 N -3.09 0.06 0.00 5.45 1.04 -1.26 -5.26 113.70 110.63 2dmu s SER 69 Ca 0.64 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2dmu s SER 69 Cb -0.20 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2dmu s SER 69 CO 0.57 -0.13 0.44 0.61 0.98 0.00 0.00 173.24 175.72