#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 -4.56 -3.78 1.61 7.64 -1.26 -4.98 113.62 108.29 2dmu n SER 2 Ca 0.00 -0.71 -0.24 0.00 1.01 0.00 0.00 58.87 58.93 2dmu n SER 2 Cb 0.00 -4.31 -0.17 0.00 -1.01 0.00 0.00 64.21 58.71 2dmu n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmu s SER 3 N -3.53 1.78 0.00 6.43 0.15 -1.26 -4.85 113.70 112.42 2dmu s SER 3 Ca 0.51 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2dmu s SER 3 Cb -0.24 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 2dmu s SER 3 CO 0.79 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2dmu n GLY 4 N 5.12 0.80 0.38 9.45 0.00 -1.26 -5.03 105.19 114.64 2dmu n GLY 4 Ca -0.08 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 2dmu n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmu h SER 5 N 0.00 -0.81 -4.67 1.61 4.64 -2.02 -3.45 113.55 108.85 2dmu h SER 5 Ca 0.00 0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 2dmu h SER 5 Cb 0.11 0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.27 2dmu h SER 5 CO 0.00 -0.55 -0.68 -0.44 -0.87 0.00 0.00 176.83 174.29 2dmu s SER 6 N -4.42 1.07 -0.04 4.97 0.01 -1.26 -5.16 113.70 108.87 2dmu s SER 6 Ca -0.18 -1.08 -0.00 0.00 1.31 0.00 0.00 55.95 56.00 2dmu s SER 6 Cb 0.04 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.42 2dmu s SER 6 CO 0.62 -0.53 0.01 -0.83 0.41 0.00 0.00 173.24 172.92 2dmu s GLY 7 N -3.09 0.29 0.07 3.44 0.00 -1.26 -5.14 107.32 101.63 2dmu s GLY 7 Ca 0.17 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 2dmu s GLY 7 CO -0.01 0.80 0.42 1.09 0.00 0.00 0.00 173.10 175.40 2dmu s ARG 8 N 1.35 3.82 -0.41 2.90 1.70 -1.26 -5.05 118.95 122.00 2dmu s ARG 8 Ca -0.05 0.26 -0.22 0.00 -0.47 0.00 0.00 55.73 55.25 2dmu s ARG 8 Cb -0.13 -3.04 0.02 0.00 -0.57 0.00 0.00 34.95 31.23 2dmu s ARG 8 CO -0.02 0.58 0.74 0.50 -1.08 0.00 0.00 175.30 176.01 2dmu s ARG 9 N -1.73 3.54 0.06 3.89 6.06 -1.26 -5.04 118.95 124.47 2dmu s ARG 9 Ca 0.31 0.01 0.07 0.00 -2.50 0.00 0.00 55.73 53.62 2dmu s ARG 9 Cb -0.15 -3.88 -0.03 0.00 0.06 0.00 0.00 34.95 30.95 2dmu s ARG 9 CO 0.17 -0.95 -0.16 -1.58 -2.50 0.00 0.00 175.30 170.27 2dmu s HIS 10 N 3.07 2.59 0.48 5.12 2.46 -1.26 -5.14 115.29 122.61 2dmu s HIS 10 Ca 0.28 -0.23 0.06 0.00 0.47 0.00 0.00 55.06 55.64 2dmu s HIS 10 Cb -0.13 -1.45 -0.01 0.00 -0.13 0.00 0.00 32.58 30.86 2dmu s HIS 10 CO 0.19 0.30 0.26 1.03 -2.47 0.00 0.00 174.74 174.06 2dmu s ARG 11 N -1.65 2.26 -0.20 2.88 0.52 -1.26 -5.13 118.95 116.38 2dmu s ARG 11 Ca 0.16 -1.96 -0.03 0.00 -0.52 0.00 0.00 55.73 53.38 2dmu s ARG 11 Cb -0.11 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 2dmu s ARG 11 CO 0.07 -0.36 -0.07 0.99 0.02 0.00 0.00 175.30 175.95 2dmu s THR 12 N -2.70 3.18 0.02 0.02 2.01 -1.26 -5.00 115.64 111.91 2dmu s THR 12 Ca 0.34 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 2dmu s THR 12 Cb 0.00 -2.42 -0.23 0.00 0.01 0.00 0.00 72.50 69.87 2dmu s THR 12 CO 0.20 0.45 1.13 0.40 -0.69 0.00 0.00 174.62 176.11 2dmu h ILE 13 N 5.70 1.40 -4.49 1.82 2.04 -2.08 -3.46 117.51 118.45 2dmu h ILE 13 Ca -0.40 -2.06 -0.48 0.00 1.00 0.00 0.00 64.86 62.92 2dmu h ILE 13 Cb 1.16 2.51 0.10 0.00 -0.74 0.00 0.00 36.82 39.85 2dmu h ILE 13 CO 0.60 0.61 0.39 -0.36 0.00 0.00 0.00 178.15 179.39 2dmu s PHE 14 N -3.29 2.96 0.16 1.37 0.08 -1.26 -5.07 117.98 112.93 2dmu s PHE 14 Ca -0.13 0.89 -0.02 0.00 0.12 0.00 0.00 56.93 57.79 2dmu s PHE 14 Cb 0.04 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.12 2dmu s PHE 14 CO 0.83 -1.72 0.35 0.95 -0.10 0.00 0.00 175.22 175.53 2dmu s THR 15 N -3.43 5.23 0.22 0.64 -4.23 -1.26 -4.89 115.64 107.92 2dmu s THR 15 Ca 0.61 -0.27 -0.19 0.00 -1.18 0.00 0.00 61.69 60.66 2dmu s THR 15 Cb -0.12 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.24 2dmu s THR 15 CO 0.51 -0.05 1.56 -2.24 -0.54 0.00 0.00 174.62 173.85 2dmu h ASP 16 N 2.44 -1.45 -0.33 3.99 2.03 -1.98 0.34 116.42 121.45 2dmu h ASP 16 Ca -0.47 0.30 0.04 0.00 -0.73 0.00 0.00 57.03 56.17 2dmu h ASP 16 Cb 1.18 0.74 -0.04 0.00 -0.83 0.00 0.00 39.33 40.39 2dmu h ASP 16 CO 0.71 -0.29 0.12 -0.08 -1.03 0.00 0.00 179.24 178.67 2dmu h GLU 17 N -0.03 0.25 0.24 4.15 4.81 -1.98 0.20 114.58 122.22 2dmu h GLU 17 Ca 0.32 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2dmu h GLU 17 Cb 0.58 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2dmu h GLU 17 CO -0.94 0.17 -0.29 1.96 -0.73 0.00 0.00 179.01 179.18 2dmu h GLN 18 N 0.26 -0.55 -0.53 1.92 4.20 -0.81 0.50 115.11 120.10 2dmu h GLN 18 Ca 0.15 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.91 2dmu h GLN 18 Cb 0.12 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2dmu h GLN 18 CO -0.15 -0.37 0.34 -0.07 -0.67 0.00 0.00 178.83 177.91 2dmu h LEU 19 N -0.57 0.56 -0.15 1.46 3.38 -0.46 0.58 115.31 120.10 2dmu h LEU 19 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2dmu h LEU 19 Cb 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2dmu h LEU 19 CO -0.09 0.40 -0.06 -0.08 0.09 0.00 0.00 178.44 178.70 2dmu h GLU 20 N 0.67 -0.03 0.35 1.13 4.81 -0.29 0.29 114.58 121.51 2dmu h GLU 20 Ca 0.21 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2dmu h GLU 20 Cb -0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2dmu h GLU 20 CO -0.07 -0.02 -0.17 0.00 -0.73 0.00 0.00 179.01 178.02 2dmu h ALA 21 N 1.11 -0.47 -0.85 2.92 0.00 -0.62 0.36 119.26 121.71 2dmu h ALA 21 Ca 0.08 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2dmu h ALA 21 Cb 0.15 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2dmu h ALA 21 CO -0.18 -0.68 0.47 -0.07 0.00 0.00 0.00 179.25 178.80 2dmu h LEU 22 N -0.65 0.65 -0.24 0.00 3.38 -0.76 0.91 115.31 118.60 2dmu h LEU 22 Ca -0.05 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2dmu h LEU 22 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dmu h LEU 22 CO 0.08 0.35 -0.54 -0.33 0.09 0.00 0.00 178.44 178.08 2dmu h GLU 23 N 0.76 0.79 -0.20 1.13 5.08 -0.32 0.14 114.58 121.95 2dmu h GLU 23 Ca 0.42 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2dmu h GLU 23 Cb 0.46 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2dmu h GLU 23 CO -0.28 1.16 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.96 2dmu h ASN 24 N 0.54 0.27 0.00 1.42 2.35 0.65 0.32 115.58 121.13 2dmu h ASN 24 Ca -0.00 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 2dmu h ASN 24 Cb 1.16 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 2dmu h ASN 24 CO 0.12 0.33 -0.59 0.25 -1.65 0.00 0.00 177.43 175.89 2dmu h LEU 25 N 0.29 0.00 -2.11 1.61 5.85 -0.78 -3.23 115.31 116.94 2dmu h LEU 25 Ca 0.07 -0.68 0.04 0.00 0.84 0.00 0.00 57.88 58.15 2dmu h LEU 25 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2dmu h LEU 25 CO 0.01 1.19 0.13 0.15 -0.34 0.00 0.00 178.44 179.57 2dmu h PHE 26 N -1.00 0.00 -0.09 1.25 3.57 -0.68 0.15 116.94 120.14 2dmu h PHE 26 Ca -0.16 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 2dmu h PHE 26 Cb 1.07 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 2dmu h PHE 26 CO 0.16 0.00 -0.10 1.96 -2.23 0.00 0.00 178.31 178.10 2dmu h GLN 27 N 0.00 0.22 -0.17 1.11 1.08 -1.05 -3.25 115.11 113.05 2dmu h GLN 27 Ca 0.07 -0.13 -0.17 0.00 -1.45 0.00 0.00 58.65 56.98 2dmu h GLN 27 Cb 0.32 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2dmu h GLN 27 CO -0.00 0.67 -0.60 1.05 -0.95 0.00 0.00 178.83 179.00 2dmu h GLU 28 N -0.21 0.56 -3.70 1.46 4.11 -1.39 -3.44 114.58 111.97 2dmu h GLU 28 Ca 0.01 -0.38 -0.32 0.00 0.07 0.00 0.00 59.36 58.74 2dmu h GLU 28 Cb 0.64 0.05 -0.33 0.00 0.50 0.00 0.00 28.75 29.61 2dmu h GLU 28 CO 0.03 0.99 -0.74 -0.08 0.07 0.00 0.00 179.01 179.28 2dmu s THR 29 N -3.92 0.11 0.09 -1.06 -1.32 0.47 -5.04 115.64 104.97 2dmu s THR 29 Ca -0.07 0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.34 2dmu s THR 29 Cb 0.11 -0.20 -0.10 0.00 -1.51 0.00 0.00 72.50 70.80 2dmu s THR 29 CO 0.85 0.11 1.39 0.11 -2.21 0.00 0.00 174.62 174.87 2dmu h LYS 30 N 7.08 0.64 -4.12 7.08 1.79 -1.82 -3.31 116.57 123.91 2dmu h LYS 30 Ca -0.41 -0.35 -0.61 0.00 -2.18 0.00 0.00 60.65 57.09 2dmu h LYS 30 Cb 1.14 0.02 -0.40 0.00 -1.58 0.00 0.00 32.23 31.41 2dmu h LYS 30 CO 0.48 0.96 -0.75 0.71 -1.08 0.00 0.00 179.45 179.77 2dmu s TYR 31 N -4.29 2.58 1.25 -1.35 1.51 -1.26 -4.94 117.35 110.86 2dmu s TYR 31 Ca -0.13 -2.19 -0.21 0.00 -1.01 0.00 0.00 57.07 53.53 2dmu s TYR 31 Cb 0.08 -2.12 0.31 0.00 -0.11 0.00 0.00 41.96 40.12 2dmu s TYR 31 CO 0.82 -0.88 1.12 -1.25 -1.11 0.00 0.00 175.55 174.24 2dmu s PRO 32 N 1.32 -1.64 0.40 -1.71 0.04 -1.26 -5.08 135.00 127.06 2dmu s PRO 32 Ca 0.07 -0.22 0.08 0.00 0.04 0.00 0.00 61.00 60.96 2dmu s PRO 32 Cb -0.18 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2dmu s PRO 32 CO -0.15 -3.96 0.27 -0.51 0.04 0.00 0.00 177.00 172.69 2dmu s ASP 33 N -4.02 4.77 0.44 6.66 1.11 -1.26 -4.99 116.67 119.38 2dmu s ASP 33 Ca 0.72 -0.87 0.12 0.00 0.18 0.00 0.00 52.55 52.71 2dmu s ASP 33 Cb -0.07 -0.58 0.99 0.00 1.07 0.00 0.00 42.92 44.33 2dmu s ASP 33 CO 0.56 -0.55 2.02 1.62 1.18 0.00 0.00 175.17 179.99 2dmu h VAL 34 N 1.26 1.11 -0.30 -1.27 3.04 -1.99 -1.00 116.25 117.10 2dmu h VAL 34 Ca -0.42 -0.46 -0.13 0.00 -1.01 0.00 0.00 66.70 64.67 2dmu h VAL 34 Cb 1.26 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.65 2dmu h VAL 34 CO 0.63 0.14 -0.34 1.23 -1.01 0.00 0.00 177.57 178.22 2dmu h GLY 35 N 0.47 0.72 1.30 3.17 0.00 -2.00 -2.33 103.07 104.40 2dmu h GLY 35 Ca 0.03 -0.68 -0.31 0.00 0.00 0.00 0.00 47.33 46.37 2dmu h GLY 35 CO 0.01 0.62 -1.30 -0.84 0.00 0.00 0.00 176.54 175.03 2dmu h THR 36 N 0.56 1.31 -0.42 4.70 2.02 -1.84 -3.19 112.91 116.04 2dmu h THR 36 Ca 0.06 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.66 2dmu h THR 36 Cb 0.85 2.80 -0.02 0.00 -1.74 0.00 0.00 68.15 70.05 2dmu h THR 36 CO 0.07 0.78 0.26 0.03 0.37 0.00 0.00 175.52 177.03 2dmu h ARG 37 N 0.22 0.57 0.21 6.66 3.08 -1.20 0.20 114.38 124.13 2dmu h ARG 37 Ca -0.20 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.81 2dmu h ARG 37 Cb 1.98 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.89 2dmu h ARG 37 CO 0.24 0.41 -0.27 0.93 -1.07 0.00 0.00 179.97 180.22 2dmu h GLU 38 N 0.56 -0.51 0.31 0.04 4.39 -1.51 0.24 114.58 118.09 2dmu h GLU 38 Ca 0.15 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2dmu h GLU 38 Cb -0.01 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2dmu h GLU 38 CO -0.03 -0.34 -0.15 1.96 -1.16 0.00 0.00 179.01 179.29 2dmu h GLN 39 N -0.53 -0.40 -0.69 2.33 1.08 -1.52 -2.89 115.11 112.49 2dmu h GLN 39 Ca 0.01 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.36 2dmu h GLN 39 Cb 0.51 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.94 2dmu h GLN 39 CO -0.09 -0.18 0.23 1.25 -0.95 0.00 0.00 178.83 179.09 2dmu h LEU 40 N -0.54 0.17 0.04 1.46 5.85 -0.51 -1.03 115.31 120.76 2dmu h LEU 40 Ca -0.04 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2dmu h LEU 40 Cb 0.40 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2dmu h LEU 40 CO 0.07 0.07 -0.38 0.00 -0.34 0.00 0.00 178.44 177.86 2dmu h ALA 41 N 1.52 -0.84 -0.52 1.25 0.00 -0.38 0.31 119.26 120.59 2dmu h ALA 41 Ca 0.37 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.34 2dmu h ALA 41 Cb 0.56 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2dmu h ALA 41 CO -0.40 -0.95 0.36 0.00 0.00 0.00 0.00 179.25 178.27 2dmu h ARG 42 N -0.50 0.13 -0.35 0.00 3.08 -1.26 0.73 114.38 116.21 2dmu h ARG 42 Ca 0.00 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2dmu h ARG 42 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2dmu h ARG 42 CO -0.23 0.09 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.22 2dmu h LYS 43 N 0.13 0.84 -0.31 0.04 1.63 0.18 -3.00 116.57 116.08 2dmu h LYS 43 Ca 0.25 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2dmu h LYS 43 Cb 0.80 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2dmu h LYS 43 CO -0.03 1.07 0.00 1.33 -3.45 0.00 0.00 179.45 178.37 2dmu n VAL 44 N -4.16 0.40 -3.47 2.00 0.24 0.96 -4.94 118.33 109.35 2dmu n VAL 44 Ca -0.03 -0.58 -0.20 0.00 -2.04 0.00 0.00 64.34 61.50 2dmu n VAL 44 Cb 0.50 0.68 0.08 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.99 -2.45 -4.42 6.34 8.25 0.23 -4.79 115.22 119.36 2dmu n HIS 45 Ca 0.18 0.95 -0.22 0.00 -0.26 0.00 0.00 57.72 58.37 2dmu n HIS 45 Cb 0.48 -4.98 -0.09 0.00 1.12 0.00 0.00 29.99 26.52 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 1.87 -0.03 2.41 1.43 0.49 -4.99 118.68 113.21 2dmu s LEU 46 Ca 0.26 -1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 51.67 2dmu s LEU 46 Cb -0.12 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 2dmu s LEU 46 CO 0.71 -0.88 0.30 -0.13 0.23 0.00 0.00 176.35 176.58 2dmu s ARG 47 N -3.77 3.69 0.30 1.70 1.81 -1.26 -3.99 118.95 117.43 2dmu s ARG 47 Ca 0.31 0.12 0.04 0.00 -1.72 0.00 0.00 55.73 54.48 2dmu s ARG 47 Cb 0.04 -3.16 0.78 0.00 -0.45 0.00 0.00 34.95 32.17 2dmu s ARG 47 CO 0.16 0.70 1.61 0.93 -0.68 0.00 0.00 175.30 178.02 2dmu h GLU 48 N 4.53 0.11 0.08 3.54 3.07 -1.92 0.20 114.58 124.20 2dmu h GLU 48 Ca -0.52 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2dmu h GLU 48 Cb 1.22 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2dmu h GLU 48 CO 0.62 0.08 -0.04 1.49 -1.40 0.00 0.00 179.01 179.75 2dmu h GLU 49 N 0.12 -0.11 -0.51 2.33 4.81 -1.95 -2.81 114.58 116.45 2dmu h GLU 49 Ca 0.59 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.90 2dmu h GLU 49 Cb 1.25 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 2dmu h GLU 49 CO -0.75 0.08 0.18 0.87 -0.73 0.00 0.00 179.01 178.65 2dmu h LYS 50 N -0.28 0.34 -1.00 1.92 1.79 -1.12 -1.12 116.57 117.09 2dmu h LYS 50 Ca -0.01 -0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.60 2dmu h LYS 50 Cb 0.24 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.71 2dmu h LYS 50 CO 0.02 0.22 0.62 0.28 -1.08 0.00 0.00 179.45 179.52 2dmu h VAL 51 N 0.35 0.80 -0.25 0.50 2.07 -0.77 -1.29 116.25 117.66 2dmu h VAL 51 Ca 0.25 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 2dmu h VAL 51 Cb 0.28 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2dmu h VAL 51 CO -0.26 0.16 -0.18 -0.08 0.02 0.00 0.00 177.57 177.23 2dmu h GLU 52 N 0.87 0.57 -0.56 1.57 4.81 -0.98 -3.21 114.58 117.63 2dmu h GLU 52 Ca 0.54 -0.27 0.11 0.00 -0.13 0.00 0.00 59.36 59.62 2dmu h GLU 52 Cb 0.72 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.99 2dmu h GLU 52 CO -0.33 0.85 -0.17 0.28 -0.73 0.00 0.00 179.01 178.91 2dmu h VAL 53 N 0.28 0.40 -0.65 0.32 2.07 -0.32 -0.34 116.25 118.02 2dmu h VAL 53 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.70 2dmu h VAL 53 Cb 0.71 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 2dmu h VAL 53 CO 0.05 0.00 0.07 -0.25 0.02 0.00 0.00 177.57 177.46 2dmu h TRP 54 N -0.03 0.09 0.31 1.57 7.01 -1.48 -2.15 115.95 121.28 2dmu h TRP 54 Ca 0.27 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 2dmu h TRP 54 Cb 0.44 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 2dmu h TRP 54 CO -0.49 -0.12 -0.43 0.74 -2.79 0.00 0.00 178.44 175.35 2dmu h PHE 55 N 0.18 -1.22 -0.69 2.65 -1.00 -1.11 0.11 116.94 115.86 2dmu h PHE 55 Ca 0.35 0.02 0.09 0.00 2.81 0.00 0.00 57.97 61.23 2dmu h PHE 55 Cb 0.57 0.49 -0.11 0.00 3.61 0.00 0.00 35.95 40.51 2dmu h PHE 55 CO -0.32 -0.54 -0.49 0.87 -1.61 0.00 0.00 178.31 176.22 2dmu h LYS 56 N -0.77 -0.18 -0.31 1.51 6.56 -1.08 0.23 116.57 122.53 2dmu h LYS 56 Ca -0.04 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.63 2dmu h LYS 56 Cb 0.70 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 32.33 2dmu h LYS 56 CO -0.12 -0.12 -0.13 -0.91 -2.06 0.00 0.00 179.45 176.11 2dmu h ASN 57 N -0.18 -0.45 -0.13 0.86 2.35 -1.20 -2.31 115.58 114.52 2dmu h ASN 57 Ca 0.17 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.08 2dmu h ASN 57 Cb 0.54 0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.12 2dmu h ASN 57 CO -0.76 -0.17 -0.16 0.03 -1.65 0.00 0.00 177.43 174.71 2dmu h ARG 58 N -0.08 -0.20 -0.99 0.81 2.47 0.93 -2.24 114.38 115.09 2dmu h ARG 58 Ca 0.16 0.01 0.23 0.00 -1.26 0.00 0.00 59.98 59.12 2dmu h ARG 58 Cb 0.32 0.05 -0.19 0.00 -1.65 0.00 0.00 29.97 28.50 2dmu h ARG 58 CO -0.37 -0.13 -0.12 -0.09 0.56 0.00 0.00 179.97 179.82 2dmu h ARG 59 N -0.21 0.00 -0.83 0.04 2.43 -0.06 0.89 114.38 116.65 2dmu h ARG 59 Ca 0.09 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.42 2dmu h ARG 59 Cb 0.34 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 2dmu h ARG 59 CO -0.25 0.00 0.39 0.00 -1.51 0.00 0.00 179.97 178.61 2dmu h ALA 60 N 1.99 1.24 -0.29 2.80 0.00 -1.25 0.49 119.26 124.24 2dmu h ALA 60 Ca 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.51 2dmu h ALA 60 Cb 0.96 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2dmu h ALA 60 CO -0.98 -0.16 0.03 -0.22 0.00 0.00 0.00 179.25 177.92 2dmu h LYS 61 N 0.54 0.49 0.00 0.00 3.64 0.77 0.41 116.57 122.42 2dmu h LYS 61 Ca 0.46 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2dmu h LYS 61 Cb 0.71 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2dmu h LYS 61 CO -0.40 0.61 -0.35 2.35 -2.27 0.00 0.00 179.45 179.39 2dmu h TRP 62 N 0.30 0.00 0.20 1.91 7.01 -0.39 -2.74 115.95 122.24 2dmu h TRP 62 Ca 0.09 0.00 -0.33 0.00 2.11 0.00 0.00 58.89 60.76 2dmu h TRP 62 Cb 0.37 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.45 2dmu h TRP 62 CO 0.03 0.35 -1.52 -0.09 -2.79 0.00 0.00 178.44 174.42 2dmu h ARG 63 N 0.00 0.43 0.23 2.65 9.65 0.17 -3.36 114.38 124.16 2dmu h ARG 63 Ca -0.00 -0.74 0.00 0.00 -1.10 0.00 0.00 59.98 58.14 2dmu h ARG 63 Cb 0.65 0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 2dmu h ARG 63 CO 0.05 1.34 -0.23 -0.09 2.80 0.00 0.00 179.97 183.83 2dmu h ARG 64 N 0.12 -0.48 -6.62 0.20 1.12 -0.04 -3.43 114.38 105.25 2dmu h ARG 64 Ca -0.26 0.03 -0.51 0.00 -1.11 0.00 0.00 59.98 58.13 2dmu h ARG 64 Cb 2.11 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 32.17 2dmu h ARG 64 CO 0.23 -0.32 -0.04 -1.54 -3.11 0.00 0.00 179.97 175.19 2dmu s SER 65 N -4.78 6.48 0.00 -3.80 1.04 -1.05 -4.96 113.70 106.64 2dmu s SER 65 Ca -0.16 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2dmu s SER 65 Cb 0.07 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2dmu s SER 65 CO 0.65 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2dmu n GLY 66 N -1.02 2.11 3.77 7.32 0.00 -1.26 -4.80 105.19 111.30 2dmu n GLY 66 Ca -0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2dmu n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmu s PRO 67 N -0.48 2.89 -0.16 1.61 0.04 -1.26 -5.00 135.00 132.63 2dmu s PRO 67 Ca 0.00 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 2dmu s PRO 67 Cb 0.00 -1.96 -0.21 0.00 0.04 0.00 0.00 34.50 32.37 2dmu s PRO 67 CO 0.00 -1.19 0.47 0.77 0.04 0.00 0.00 177.00 177.09 2dmu h SER 68 N 0.20 0.00 -5.99 6.66 0.02 -2.03 -3.48 113.55 108.93 2dmu h SER 68 Ca -0.47 -0.71 -0.42 0.00 -0.84 0.00 0.00 61.79 59.35 2dmu h SER 68 Cb 1.25 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.87 2dmu h SER 68 CO 0.54 1.15 -0.72 -0.24 -1.14 0.00 0.00 176.83 176.43 2dmu n SER 69 N -4.55 -5.45 0.00 3.07 2.88 -1.26 -5.37 113.62 102.94 2dmu n SER 69 Ca -0.18 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 2dmu n SER 69 Cb 0.52 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.34 2dmu n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42