#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 -4.90 -4.45 1.61 7.64 -1.26 -5.02 113.62 107.25 2dmu n SER 2 Ca 0.00 -0.46 -0.29 0.00 1.01 0.00 0.00 58.87 59.12 2dmu n SER 2 Cb 0.00 -4.29 -0.12 0.00 -1.01 0.00 0.00 64.21 58.79 2dmu n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmu s SER 3 N -3.45 3.66 -0.20 6.43 0.01 -1.26 -5.12 113.70 113.77 2dmu s SER 3 Ca 0.39 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 2dmu s SER 3 Cb -0.17 -0.43 0.07 0.00 0.21 0.00 0.00 66.02 65.70 2dmu s SER 3 CO 0.61 0.19 0.10 -0.83 0.41 0.00 0.00 173.24 173.72 2dmu s GLY 4 N -2.01 0.38 0.23 3.44 0.00 -1.26 -5.14 107.32 102.97 2dmu s GLY 4 Ca 0.16 -0.50 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 2dmu s GLY 4 CO 0.08 1.83 0.56 -0.45 0.00 0.00 0.00 173.10 175.11 2dmu s SER 5 N 2.13 6.63 0.26 1.64 0.15 -1.26 -5.09 113.70 118.16 2dmu s SER 5 Ca 0.04 0.93 -0.19 0.00 0.70 0.00 0.00 55.95 57.43 2dmu s SER 5 Cb -0.16 -2.23 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 2dmu s SER 5 CO -0.16 -0.08 0.65 -0.94 1.20 0.00 0.00 173.24 173.90 2dmu s SER 6 N -2.37 -0.24 0.00 5.45 1.04 -1.26 -5.19 113.70 111.14 2dmu s SER 6 Ca 0.48 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2dmu s SER 6 Cb -0.11 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2dmu s SER 6 CO 0.21 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2dmu n GLY 7 N -0.43 1.52 3.21 7.32 0.00 -1.26 -5.16 105.19 110.38 2dmu n GLY 7 Ca -0.04 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2dmu n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmu n ARG 8 N -0.23 -2.57 -3.53 1.61 5.12 -1.26 -4.96 116.66 110.84 2dmu n ARG 8 Ca 0.00 -0.75 -0.36 0.00 -1.93 0.00 0.00 57.85 54.81 2dmu n ARG 8 Cb 0.00 -1.73 -0.07 0.00 -1.16 0.00 0.00 32.46 29.50 2dmu n ARG 8 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2dmu s ARG 9 N -3.86 4.25 0.02 5.56 3.00 -1.26 -5.08 118.95 121.58 2dmu s ARG 9 Ca 0.53 0.10 0.00 0.00 0.00 0.00 0.00 55.73 56.37 2dmu s ARG 9 Cb -0.12 -3.42 -0.02 0.00 0.00 0.00 0.00 34.95 31.39 2dmu s ARG 9 CO 0.54 0.24 -0.04 -1.01 0.00 0.00 0.00 175.30 175.04 2dmu s HIS 10 N 0.46 0.32 0.45 -0.53 3.76 -1.26 -5.15 115.29 113.34 2dmu s HIS 10 Ca 0.17 -0.56 -0.23 0.00 -0.15 0.00 0.00 55.06 54.29 2dmu s HIS 10 Cb -0.13 -0.23 -0.08 0.00 1.11 0.00 0.00 32.58 33.26 2dmu s HIS 10 CO 0.04 -0.19 1.14 0.50 -0.85 0.00 0.00 174.74 175.39 2dmu s ARG 11 N -1.62 3.84 -0.03 1.40 6.06 -1.26 -5.05 118.95 122.28 2dmu s ARG 11 Ca -0.14 1.73 -0.05 0.00 -2.50 0.00 0.00 55.73 54.77 2dmu s ARG 11 Cb -0.09 -2.44 0.01 0.00 0.06 0.00 0.00 34.95 32.49 2dmu s ARG 11 CO -0.01 -0.47 0.12 -0.08 -2.50 0.00 0.00 175.30 172.35 2dmu s THR 12 N -1.56 0.03 -0.20 4.11 -1.32 -1.26 -5.16 115.64 110.28 2dmu s THR 12 Ca 0.62 -0.25 -0.18 0.00 -1.21 0.00 0.00 61.69 60.67 2dmu s THR 12 Cb -0.27 -0.26 0.05 0.00 -1.51 0.00 0.00 72.50 70.51 2dmu s THR 12 CO 0.33 -0.14 0.54 -0.51 -2.21 0.00 0.00 174.62 172.63 2dmu s ILE 13 N -0.43 -0.00 0.18 5.08 -1.16 -1.26 -5.18 121.20 118.43 2dmu s ILE 13 Ca -0.05 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.13 2dmu s ILE 13 Cb -0.03 -0.75 -0.05 0.00 0.61 0.00 0.00 42.46 42.24 2dmu s ILE 13 CO 0.00 0.00 -0.04 -0.36 -2.81 0.00 0.00 174.94 171.74 2dmu s PHE 14 N 0.38 1.35 0.41 3.50 0.08 -1.26 -5.14 117.98 117.30 2dmu s PHE 14 Ca -0.01 -0.88 -0.01 0.00 0.12 0.00 0.00 56.93 56.15 2dmu s PHE 14 Cb -0.04 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2dmu s PHE 14 CO -0.01 -0.04 0.64 0.95 -0.10 0.00 0.00 175.22 176.67 2dmu s THR 15 N -3.44 4.62 0.26 0.64 -4.23 -1.26 -4.86 115.64 107.37 2dmu s THR 15 Ca 0.23 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 2dmu s THR 15 Cb 0.05 -3.71 0.28 0.00 1.34 0.00 0.00 72.50 70.45 2dmu s THR 15 CO 0.04 -0.52 1.65 -2.24 -0.54 0.00 0.00 174.62 173.02 2dmu h ASP 16 N 0.52 -0.17 -0.50 3.99 2.03 -2.02 0.17 116.42 120.44 2dmu h ASP 16 Ca -0.48 0.18 -0.02 0.00 -0.73 0.00 0.00 57.03 55.98 2dmu h ASP 16 Cb 1.23 0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 40.00 2dmu h ASP 16 CO 0.60 -0.14 0.23 -0.08 -1.03 0.00 0.00 179.24 178.81 2dmu h GLU 17 N 0.17 0.72 0.07 4.15 4.81 -1.98 0.27 114.58 122.79 2dmu h GLU 17 Ca 0.45 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2dmu h GLU 17 Cb 0.82 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2dmu h GLU 17 CO -0.63 0.62 -0.03 1.96 -0.73 0.00 0.00 179.01 180.20 2dmu h GLN 18 N 0.66 -0.09 -0.63 1.92 4.20 -1.12 -2.27 115.11 117.78 2dmu h GLN 18 Ca 0.17 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2dmu h GLN 18 Cb 0.14 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2dmu h GLN 18 CO -0.02 -0.02 0.04 -0.07 -0.67 0.00 0.00 178.83 178.09 2dmu h LEU 19 N -0.12 1.05 -0.32 1.46 3.38 -0.72 -2.22 115.31 117.82 2dmu h LEU 19 Ca -0.01 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2dmu h LEU 19 Cb 0.10 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 2dmu h LEU 19 CO 0.01 1.08 -0.13 -0.08 0.09 0.00 0.00 178.44 179.42 2dmu h GLU 20 N 0.99 -0.06 0.63 1.13 4.81 -0.26 0.19 114.58 122.01 2dmu h GLU 20 Ca 0.18 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2dmu h GLU 20 Cb 0.51 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.91 2dmu h GLU 20 CO 0.02 -0.04 -0.30 0.00 -0.73 0.00 0.00 179.01 177.96 2dmu h ALA 21 N 1.22 -0.98 -0.87 2.92 0.00 -1.33 0.35 119.26 120.57 2dmu h ALA 21 Ca 0.16 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2dmu h ALA 21 Cb 0.31 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 2dmu h ALA 21 CO -0.37 -0.91 0.18 -0.07 0.00 0.00 0.00 179.25 178.08 2dmu h LEU 22 N -1.06 -0.11 -0.55 0.00 3.38 -1.30 0.50 115.31 116.17 2dmu h LEU 22 Ca -0.09 0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2dmu h LEU 22 Cb 0.65 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2dmu h LEU 22 CO 0.14 -0.19 -0.30 -0.33 0.09 0.00 0.00 178.44 177.85 2dmu h GLU 23 N 0.16 0.84 -0.05 1.13 5.08 -0.61 0.18 114.58 121.31 2dmu h GLU 23 Ca 0.54 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2dmu h GLU 23 Cb 1.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2dmu h GLU 23 CO -0.69 1.03 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.21 2dmu h ASN 24 N 0.71 0.07 0.00 1.42 2.35 0.21 0.16 115.58 120.50 2dmu h ASN 24 Ca 0.08 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2dmu h ASN 24 Cb 0.86 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2dmu h ASN 24 CO 0.08 0.31 -0.69 0.25 -1.65 0.00 0.00 177.43 175.72 2dmu h LEU 25 N 0.07 0.00 -1.32 1.61 5.85 -0.49 -3.23 115.31 117.80 2dmu h LEU 25 Ca 0.01 -0.62 0.05 0.00 0.84 0.00 0.00 57.88 58.16 2dmu h LEU 25 Cb 0.45 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2dmu h LEU 25 CO 0.03 1.21 0.49 0.15 -0.34 0.00 0.00 178.44 179.99 2dmu h PHE 26 N -1.00 0.84 0.03 1.25 3.57 -0.65 0.12 116.94 121.10 2dmu h PHE 26 Ca -0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 2dmu h PHE 26 Cb 1.07 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2dmu h PHE 26 CO 0.14 0.46 -0.02 1.96 -2.23 0.00 0.00 178.31 178.62 2dmu h GLN 27 N 0.85 -0.04 -0.49 1.11 1.08 -1.11 -3.04 115.11 113.47 2dmu h GLN 27 Ca 0.31 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.42 2dmu h GLN 27 Cb 0.16 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2dmu h GLN 27 CO -0.10 0.13 -0.09 1.05 -0.95 0.00 0.00 178.83 178.87 2dmu h GLU 28 N -0.20 0.89 -3.69 1.46 4.11 -1.46 -3.43 114.58 112.26 2dmu h GLU 28 Ca -0.00 -0.30 -0.29 0.00 0.07 0.00 0.00 59.36 58.83 2dmu h GLU 28 Cb 0.19 -0.07 -0.32 0.00 0.50 0.00 0.00 28.75 29.05 2dmu h GLU 28 CO 0.01 0.94 -0.73 -0.08 0.07 0.00 0.00 179.01 179.22 2dmu s THR 29 N -4.85 0.05 0.08 -1.06 -1.32 0.37 -5.05 115.64 103.87 2dmu s THR 29 Ca -0.10 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.29 2dmu s THR 29 Cb 0.14 -0.13 -0.08 0.00 -1.51 0.00 0.00 72.50 70.91 2dmu s THR 29 CO 0.84 0.08 1.48 0.11 -2.21 0.00 0.00 174.62 174.92 2dmu h LYS 30 N 6.87 0.49 -4.08 7.08 1.79 -1.82 -3.31 116.57 123.59 2dmu h LYS 30 Ca -0.38 -0.18 -0.61 0.00 -2.18 0.00 0.00 60.65 57.30 2dmu h LYS 30 Cb 1.15 -0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 31.38 2dmu h LYS 30 CO 0.49 0.70 -0.75 0.71 -1.08 0.00 0.00 179.45 179.52 2dmu s TYR 31 N -4.80 2.52 0.84 -1.35 1.51 -1.26 -4.92 117.35 109.89 2dmu s TYR 31 Ca -0.13 -2.16 -0.11 0.00 -1.01 0.00 0.00 57.07 53.66 2dmu s TYR 31 Cb 0.07 -2.09 0.10 0.00 -0.11 0.00 0.00 41.96 39.93 2dmu s TYR 31 CO 0.76 -0.88 1.09 -1.25 -1.11 0.00 0.00 175.55 174.17 2dmu s PRO 32 N 1.34 1.69 0.35 -1.71 0.04 -1.26 -5.04 135.00 130.40 2dmu s PRO 32 Ca 0.07 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2dmu s PRO 32 Cb -0.18 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2dmu s PRO 32 CO -0.16 -1.98 0.71 -0.51 0.04 0.00 0.00 177.00 175.10 2dmu s ASP 33 N -3.40 6.60 0.28 6.66 1.01 -1.26 -4.87 116.67 121.68 2dmu s ASP 33 Ca 0.62 1.10 0.01 0.00 0.71 0.00 0.00 52.55 55.00 2dmu s ASP 33 Cb -0.18 -2.30 0.67 0.00 1.01 0.00 0.00 42.92 42.12 2dmu s ASP 33 CO 0.57 -0.28 1.68 1.62 0.21 0.00 0.00 175.17 178.96 2dmu h VAL 34 N 1.48 0.42 -0.98 -1.27 3.04 -1.99 0.24 116.25 117.20 2dmu h VAL 34 Ca -0.47 -0.10 0.04 0.00 -1.01 0.00 0.00 66.70 65.15 2dmu h VAL 34 Cb 1.18 0.09 -0.06 0.00 -2.01 0.00 0.00 31.29 30.50 2dmu h VAL 34 CO 0.65 0.06 0.64 1.23 -1.01 0.00 0.00 177.57 179.14 2dmu h GLY 35 N 0.30 1.43 0.96 3.17 0.00 -2.01 -1.74 103.07 105.19 2dmu h GLY 35 Ca 0.53 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 2dmu h GLY 35 CO -0.57 0.42 -0.59 -0.84 0.00 0.00 0.00 176.54 174.95 2dmu h THR 36 N 1.24 1.34 -0.11 4.70 2.02 -1.00 -3.12 112.91 117.98 2dmu h THR 36 Ca 0.39 -1.88 0.03 0.00 0.77 0.00 0.00 66.41 65.72 2dmu h THR 36 Cb 0.01 2.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 2dmu h THR 36 CO -0.12 0.58 -0.12 0.03 0.37 0.00 0.00 175.52 176.25 2dmu h ARG 37 N 0.24 -0.14 -0.18 6.66 3.08 -0.64 0.14 114.38 123.54 2dmu h ARG 37 Ca -0.04 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2dmu h ARG 37 Cb 1.24 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 2dmu h ARG 37 CO 0.12 -0.09 -0.24 0.93 -1.07 0.00 0.00 179.97 179.62 2dmu h GLU 38 N -0.15 -0.27 0.49 0.04 5.08 -1.40 0.11 114.58 118.49 2dmu h GLU 38 Ca 0.08 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2dmu h GLU 38 Cb 0.26 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2dmu h GLU 38 CO -0.20 -0.18 -0.26 1.96 -1.00 0.00 0.00 179.01 179.33 2dmu h GLN 39 N -0.28 -0.68 -0.81 2.33 1.08 -1.42 -2.74 115.11 112.59 2dmu h GLN 39 Ca 0.11 0.05 0.17 0.00 -1.45 0.00 0.00 58.65 57.53 2dmu h GLN 39 Cb 0.46 0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 27.93 2dmu h GLN 39 CO -0.34 -0.45 0.32 1.25 -0.95 0.00 0.00 178.83 178.66 2dmu h LEU 40 N -0.70 0.26 0.08 1.46 5.85 -0.43 -0.37 115.31 121.46 2dmu h LEU 40 Ca -0.06 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2dmu h LEU 40 Cb 0.55 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2dmu h LEU 40 CO 0.09 0.05 -0.20 0.00 -0.34 0.00 0.00 178.44 178.04 2dmu h ALA 41 N 1.62 -0.77 -0.77 1.25 0.00 -0.49 0.90 119.26 121.00 2dmu h ALA 41 Ca 0.47 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.49 2dmu h ALA 41 Cb 0.79 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2dmu h ALA 41 CO -0.47 -0.81 0.52 0.00 0.00 0.00 0.00 179.25 178.49 2dmu h ARG 42 N -0.32 0.36 -0.54 0.00 3.08 -1.21 0.51 114.38 116.27 2dmu h ARG 42 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2dmu h ARG 42 Cb 0.30 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2dmu h ARG 42 CO -0.09 0.24 0.07 -0.22 -1.07 0.00 0.00 179.97 178.90 2dmu h LYS 43 N 0.37 0.86 -0.43 0.04 1.63 -0.25 -2.53 116.57 116.26 2dmu h LYS 43 Ca 0.38 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2dmu h LYS 43 Cb 0.95 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2dmu h LYS 43 CO -0.12 0.82 0.00 1.33 -3.45 0.00 0.00 179.45 178.03 2dmu n VAL 44 N -4.24 0.55 -3.35 2.00 0.24 0.24 -4.96 118.33 108.81 2dmu n VAL 44 Ca 0.03 -0.77 -0.17 0.00 -2.04 0.00 0.00 64.34 61.39 2dmu n VAL 44 Cb 0.27 0.94 0.08 0.00 -1.47 0.00 0.00 33.84 33.66 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 1.53 -2.16 -4.34 6.34 8.25 0.15 -4.81 115.22 120.18 2dmu n HIS 45 Ca 0.20 0.87 -0.18 0.00 -0.26 0.00 0.00 57.72 58.35 2dmu n HIS 45 Cb 0.61 -4.77 -0.10 0.00 1.12 0.00 0.00 29.99 26.86 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 -6.17 1.67 -0.10 2.41 1.43 0.18 -4.98 118.68 113.12 2dmu s LEU 46 Ca 0.15 -1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 51.57 2dmu s LEU 46 Cb -0.06 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 2dmu s LEU 46 CO 0.66 -0.83 0.47 -0.13 0.23 0.00 0.00 176.35 176.75 2dmu s ARG 47 N -3.90 4.30 0.27 1.70 1.81 -1.26 -3.84 118.95 118.04 2dmu s ARG 47 Ca 0.36 0.45 -0.06 0.00 -1.72 0.00 0.00 55.73 54.76 2dmu s ARG 47 Cb 0.06 -3.41 0.50 0.00 -0.45 0.00 0.00 34.95 31.64 2dmu s ARG 47 CO 0.16 0.22 1.49 -1.91 -0.68 0.00 0.00 175.30 174.58 2dmu n GLU 48 N 3.46 -0.08 -0.10 3.54 0.00 -1.26 0.18 120.64 126.38 2dmu n GLU 48 Ca -0.08 1.48 -0.07 0.00 0.00 0.00 0.00 57.16 58.49 2dmu n GLU 48 Cb 0.52 -2.24 -0.01 0.00 0.00 0.00 0.00 31.44 29.71 2dmu n GLU 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dmu h GLU 49 N 0.00 -0.23 -0.51 5.31 4.81 -1.95 -1.11 114.58 120.90 2dmu h GLU 49 Ca 0.48 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.82 2dmu h GLU 49 Cb 0.79 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.15 2dmu h GLU 49 CO -0.97 -0.15 0.10 0.87 -0.73 0.00 0.00 179.01 178.14 2dmu h LYS 50 N -0.23 0.23 -0.65 1.92 1.79 -0.66 -1.69 116.57 117.28 2dmu h LYS 50 Ca 0.17 -0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.77 2dmu h LYS 50 Cb 0.51 -0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 30.99 2dmu h LYS 50 CO -0.50 0.15 -0.03 0.28 -1.08 0.00 0.00 179.45 178.27 2dmu h VAL 51 N 0.24 0.43 -0.41 0.50 2.07 -0.63 -0.31 116.25 118.14 2dmu h VAL 51 Ca 0.26 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 2dmu h VAL 51 Cb 0.35 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2dmu h VAL 51 CO -0.34 0.02 0.21 -0.08 0.02 0.00 0.00 177.57 177.40 2dmu h GLU 52 N 0.09 0.58 0.13 1.57 4.81 -0.88 -2.93 114.58 117.95 2dmu h GLU 52 Ca 0.34 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2dmu h GLU 52 Cb 0.56 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2dmu h GLU 52 CO -0.59 0.49 -0.41 0.28 -0.73 0.00 0.00 179.01 178.05 2dmu h VAL 53 N 0.53 0.00 -0.72 0.32 2.07 -0.42 -2.07 116.25 115.96 2dmu h VAL 53 Ca 0.14 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.76 2dmu h VAL 53 Cb 0.09 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.74 2dmu h VAL 53 CO -0.02 0.00 -0.45 -0.25 0.02 0.00 0.00 177.57 176.87 2dmu h TRP 54 N -0.62 -1.32 -0.77 1.57 7.01 -1.30 0.23 115.95 120.75 2dmu h TRP 54 Ca -0.01 0.09 0.18 0.00 2.11 0.00 0.00 58.89 61.26 2dmu h TRP 54 Cb 0.61 0.68 -0.13 0.00 -2.10 0.00 0.00 29.16 28.21 2dmu h TRP 54 CO -0.39 -0.41 0.04 0.74 -2.79 0.00 0.00 178.44 175.62 2dmu h PHE 55 N -0.15 0.00 -0.11 2.65 -1.00 -1.30 0.22 116.94 117.26 2dmu h PHE 55 Ca 0.21 0.05 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 2dmu h PHE 55 Cb 0.55 0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 2dmu h PHE 55 CO -0.79 -0.23 0.03 0.87 -1.61 0.00 0.00 178.31 176.58 2dmu h LYS 56 N 0.12 0.18 -0.19 1.51 1.57 0.03 -1.98 116.57 117.80 2dmu h LYS 56 Ca 0.43 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 2dmu h LYS 56 Cb 0.76 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 2dmu h LYS 56 CO -0.66 0.34 -0.08 -0.91 -0.57 0.00 0.00 179.45 177.57 2dmu h ASN 57 N -0.02 -0.28 0.05 0.86 2.35 0.97 -2.70 115.58 116.81 2dmu h ASN 57 Ca 0.03 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2dmu h ASN 57 Cb 0.25 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2dmu h ASN 57 CO 0.00 -0.11 -0.19 0.03 -1.65 0.00 0.00 177.43 175.51 2dmu h ARG 58 N -0.06 -0.32 -0.96 0.81 2.47 -0.61 -2.37 114.38 113.34 2dmu h ARG 58 Ca 0.10 0.02 0.27 0.00 -1.26 0.00 0.00 59.98 59.12 2dmu h ARG 58 Cb 0.21 0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 28.43 2dmu h ARG 58 CO -0.23 -0.21 0.08 0.00 0.56 0.00 0.00 179.97 180.17 2dmu h ARG 59 N -0.33 0.03 -0.77 0.04 3.08 -1.04 0.33 114.38 115.72 2dmu h ARG 59 Ca 0.04 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.24 2dmu h ARG 59 Cb 0.38 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.27 2dmu h ARG 59 CO -0.14 0.02 -0.19 0.00 -1.07 0.00 0.00 179.97 178.60 2dmu h ALA 60 N 1.94 0.51 -0.58 0.04 0.00 -1.21 0.28 119.26 120.25 2dmu h ALA 60 Ca 0.60 0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.75 2dmu h ALA 60 Cb 1.25 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2dmu h ALA 60 CO -0.87 -0.41 0.14 -0.22 0.00 0.00 0.00 179.25 177.90 2dmu h LYS 61 N 0.00 0.93 -0.06 0.00 1.63 -0.44 0.17 116.57 118.80 2dmu h LYS 61 Ca 0.37 -0.22 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 2dmu h LYS 61 Cb 0.57 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2dmu h LYS 61 CO -0.79 0.86 0.01 2.35 -3.45 0.00 0.00 179.45 178.42 2dmu h TRP 62 N 0.84 0.01 -0.36 1.91 7.01 -0.25 0.22 115.95 125.32 2dmu h TRP 62 Ca 0.18 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 2dmu h TRP 62 Cb 0.34 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2dmu h TRP 62 CO 0.02 0.00 0.02 0.07 -2.79 0.00 0.00 178.44 175.77 2dmu h ARG 63 N 0.03 0.62 -0.03 2.65 0.11 -0.53 -2.98 114.38 114.25 2dmu h ARG 63 Ca 0.03 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2dmu h ARG 63 Cb 0.02 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.04 2dmu h ARG 63 CO -0.04 0.71 0.02 0.00 0.10 0.00 0.00 179.97 180.76 2dmu h ARG 64 N 0.44 0.04 -3.41 0.08 3.08 -0.77 -3.40 114.38 110.44 2dmu h ARG 64 Ca 0.10 -0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.64 2dmu h ARG 64 Cb 0.42 -0.01 -0.40 0.00 0.08 0.00 0.00 29.97 30.06 2dmu h ARG 64 CO 0.01 0.04 -0.76 -1.12 -1.07 0.00 0.00 179.97 177.07 2dmu s SER 65 N -5.23 2.89 0.05 7.04 0.01 0.75 -5.08 113.70 114.13 2dmu s SER 65 Ca -0.13 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2dmu s SER 65 Cb 0.06 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 2dmu s SER 65 CO 0.66 -0.33 -0.04 -0.83 0.41 0.00 0.00 173.24 173.11 2dmu s GLY 66 N 1.91 0.49 0.72 3.44 0.00 -1.13 -4.31 107.32 108.44 2dmu s GLY 66 Ca 0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 2dmu s GLY 66 CO -0.11 -1.17 1.10 2.56 0.00 0.00 0.00 173.10 175.48 2dmu s PRO 67 N -3.20 2.50 0.26 2.90 0.04 -1.26 -4.87 135.00 131.38 2dmu s PRO 67 Ca 0.02 1.27 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 2dmu s PRO 67 Cb 0.02 -1.92 0.42 0.00 0.04 0.00 0.00 34.50 33.06 2dmu s PRO 67 CO -0.06 -1.46 1.58 0.77 0.04 0.00 0.00 177.00 177.86 2dmu h SER 68 N -0.60 -0.81 -0.60 6.66 0.02 -2.03 0.37 113.55 116.57 2dmu h SER 68 Ca -0.45 0.27 0.12 0.00 -0.84 0.00 0.00 61.79 60.89 2dmu h SER 68 Cb 1.24 0.55 -0.10 0.00 0.14 0.00 0.00 62.40 64.23 2dmu h SER 68 CO 0.53 -0.30 0.03 0.77 -1.14 0.00 0.00 176.83 176.71 2dmu h SER 69 N 0.00 -0.21 0.00 3.07 4.64 -2.07 -3.57 113.55 115.41 2dmu h SER 69 Ca 0.44 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2dmu h SER 69 Cb 0.69 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2dmu h SER 69 CO -0.92 -0.09 0.00 0.61 -0.87 0.00 0.00 176.83 175.56