#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 -1.09 -3.51 1.61 0.02 -2.12 -3.44 113.55 105.03 2dmu h SER 2 Ca 0.00 0.04 -0.50 0.00 -0.84 0.00 0.00 61.79 60.49 2dmu h SER 2 Cb 0.00 0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.84 2dmu h SER 2 CO 0.00 -0.76 0.05 -0.44 -1.14 0.00 0.00 176.83 174.54 2dmu s SER 3 N -4.01 6.38 0.27 3.07 0.01 -1.26 -5.01 113.70 113.16 2dmu s SER 3 Ca -0.19 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2dmu s SER 3 Cb 0.02 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2dmu s SER 3 CO 0.57 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2dmu n GLY 4 N -1.68 -0.34 3.85 3.44 0.00 -1.26 -5.11 105.19 104.09 2dmu n GLY 4 Ca 0.00 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2dmu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmu s SER 5 N -4.85 6.76 0.74 1.61 0.01 -1.26 -5.09 113.70 111.61 2dmu s SER 5 Ca 0.00 0.92 -0.07 0.00 1.31 0.00 0.00 55.95 58.11 2dmu s SER 5 Cb 0.00 -2.23 0.08 0.00 0.21 0.00 0.00 66.02 64.08 2dmu s SER 5 CO 0.00 0.24 1.05 -0.44 0.41 0.00 0.00 173.24 174.50 2dmu s SER 6 N -1.42 4.57 0.04 2.44 0.01 -1.26 -4.98 113.70 113.10 2dmu s SER 6 Ca 0.29 0.36 -0.33 0.00 1.31 0.00 0.00 55.95 57.58 2dmu s SER 6 Cb -0.15 -0.92 -0.12 0.00 0.21 0.00 0.00 66.02 65.04 2dmu s SER 6 CO 0.16 -1.76 1.79 0.61 0.41 0.00 0.00 173.24 174.45 2dmu n GLY 7 N -3.02 1.43 0.05 3.44 0.00 -1.26 -4.91 105.19 100.92 2dmu n GLY 7 Ca 0.09 0.77 -0.02 0.00 0.00 0.00 0.00 46.02 46.87 2dmu n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmu h ARG 8 N 8.19 0.00 0.09 1.61 2.47 -1.93 -3.42 114.38 121.40 2dmu h ARG 8 Ca -0.47 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.10 2dmu h ARG 8 Cb 1.25 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.59 2dmu h ARG 8 CO 0.93 0.00 -0.64 0.07 0.56 0.00 0.00 179.97 180.89 2dmu h ARG 9 N -0.82 0.27 -5.15 0.04 0.11 -2.01 -3.44 114.38 103.38 2dmu h ARG 9 Ca 0.00 -0.41 -0.64 0.00 0.10 0.00 0.00 59.98 59.03 2dmu h ARG 9 Cb 0.17 0.15 -0.21 0.00 1.11 0.00 0.00 29.97 31.19 2dmu h ARG 9 CO 0.00 1.17 -0.63 -1.01 0.10 0.00 0.00 179.97 179.60 2dmu s HIS 10 N -2.55 3.10 0.19 4.08 3.76 -1.26 -5.00 115.29 117.60 2dmu s HIS 10 Ca -0.14 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 54.36 2dmu s HIS 10 Cb 0.01 -2.10 0.16 0.00 1.11 0.00 0.00 32.58 31.76 2dmu s HIS 10 CO 0.81 -0.14 1.82 -0.09 -0.85 0.00 0.00 174.74 176.28 2dmu h ARG 11 N 7.34 0.66 -5.74 1.40 2.43 -1.86 -3.38 114.38 115.23 2dmu h ARG 11 Ca -0.36 -0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 58.10 2dmu h ARG 11 Cb 1.18 -0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 2dmu h ARG 11 CO 0.63 0.43 -0.54 0.99 -1.51 0.00 0.00 179.97 179.97 2dmu s THR 12 N -6.12 4.97 0.19 0.20 2.01 -1.26 -4.46 115.64 111.17 2dmu s THR 12 Ca -0.13 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 2dmu s THR 12 Cb 0.14 -3.15 0.12 0.00 0.01 0.00 0.00 72.50 69.63 2dmu s THR 12 CO 0.75 0.60 1.84 0.40 -0.69 0.00 0.00 174.62 177.52 2dmu h ILE 13 N 4.13 1.19 -2.47 1.82 2.04 -2.00 -3.43 117.51 118.79 2dmu h ILE 13 Ca -0.52 -0.42 -0.54 0.00 1.00 0.00 0.00 64.86 64.39 2dmu h ILE 13 Cb 1.21 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 2dmu h ILE 13 CO 0.58 0.20 -0.53 -0.36 0.00 0.00 0.00 178.15 178.04 2dmu s PHE 14 N -6.00 3.21 0.53 1.37 0.08 -1.26 -5.11 117.98 110.80 2dmu s PHE 14 Ca -0.13 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.79 2dmu s PHE 14 Cb 0.14 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 2dmu s PHE 14 CO 0.78 0.51 0.92 0.95 -0.10 0.00 0.00 175.22 178.27 2dmu s THR 15 N -1.89 4.75 0.18 0.64 -4.23 -1.26 -4.84 115.64 108.99 2dmu s THR 15 Ca 0.32 0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 61.29 2dmu s THR 15 Cb -0.09 -3.83 0.07 0.00 1.34 0.00 0.00 72.50 69.98 2dmu s THR 15 CO 0.25 -0.91 1.56 -2.24 -0.54 0.00 0.00 174.62 172.74 2dmu h ASP 16 N 0.24 -1.59 -0.18 3.99 2.03 -1.99 -0.15 116.42 118.76 2dmu h ASP 16 Ca -0.46 0.27 0.05 0.00 -0.73 0.00 0.00 57.03 56.17 2dmu h ASP 16 Cb 1.19 0.74 -0.07 0.00 -0.83 0.00 0.00 39.33 40.37 2dmu h ASP 16 CO 0.62 -0.31 -0.42 -0.08 -1.03 0.00 0.00 179.24 178.02 2dmu h GLU 17 N -0.14 -0.44 -0.57 4.15 4.81 -1.99 0.23 114.58 120.63 2dmu h GLU 17 Ca 0.21 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.59 2dmu h GLU 17 Cb 0.55 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.92 2dmu h GLU 17 CO -0.80 -0.30 -0.09 1.96 -0.73 0.00 0.00 179.01 179.06 2dmu h GLN 18 N -0.46 0.04 -0.69 1.92 4.20 -1.51 -0.15 115.11 118.46 2dmu h GLN 18 Ca 0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2dmu h GLN 18 Cb 0.62 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2dmu h GLN 18 CO -0.43 0.02 0.40 -0.07 -0.67 0.00 0.00 178.83 178.08 2dmu h LEU 19 N 0.04 0.84 -0.08 1.46 3.38 -0.12 -1.62 115.31 119.21 2dmu h LEU 19 Ca 0.28 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2dmu h LEU 19 Cb 0.44 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2dmu h LEU 19 CO -0.55 0.67 -0.19 -0.08 0.09 0.00 0.00 178.44 178.38 2dmu h GLU 20 N 0.95 -0.26 0.51 1.13 4.81 0.12 0.16 114.58 121.99 2dmu h GLU 20 Ca 0.25 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2dmu h GLU 20 Cb -0.00 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.44 2dmu h GLU 20 CO -0.04 -0.17 -0.25 0.00 -0.73 0.00 0.00 179.01 177.82 2dmu h ALA 21 N 0.70 -0.69 -0.85 2.92 0.00 -1.09 0.27 119.26 120.51 2dmu h ALA 21 Ca 0.08 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2dmu h ALA 21 Cb 0.39 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 2dmu h ALA 21 CO -0.24 -0.88 0.43 -0.07 0.00 0.00 0.00 179.25 178.49 2dmu h LEU 22 N -0.69 0.50 -0.27 0.00 3.38 -1.10 0.47 115.31 117.61 2dmu h LEU 22 Ca -0.07 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2dmu h LEU 22 Cb 0.53 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dmu h LEU 22 CO 0.12 0.19 -0.32 -0.33 0.09 0.00 0.00 178.44 178.19 2dmu h GLU 23 N 0.60 0.69 -0.56 1.13 5.08 -0.43 0.78 114.58 121.86 2dmu h GLU 23 Ca 0.47 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2dmu h GLU 23 Cb 0.70 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2dmu h GLU 23 CO -0.38 1.00 0.37 -0.91 -1.00 0.00 0.00 179.01 178.09 2dmu h ASN 24 N 0.41 0.62 0.20 1.42 2.35 0.84 0.48 115.58 121.91 2dmu h ASN 24 Ca 0.04 -0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.47 2dmu h ASN 24 Cb 0.89 -0.15 0.02 0.00 0.05 0.00 0.00 38.32 39.14 2dmu h ASN 24 CO 0.08 0.44 -1.41 0.25 -1.65 0.00 0.00 177.43 175.14 2dmu h LEU 25 N 0.73 0.66 -1.23 1.61 5.85 -0.88 -3.01 115.31 119.04 2dmu h LEU 25 Ca 0.21 -0.92 -0.08 0.00 0.84 0.00 0.00 57.88 57.93 2dmu h LEU 25 Cb -0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2dmu h LEU 25 CO -0.05 1.66 -0.36 0.15 -0.34 0.00 0.00 178.44 179.50 2dmu h PHE 26 N -0.03 0.00 0.20 1.25 3.04 -0.52 -1.41 116.94 119.48 2dmu h PHE 26 Ca -0.26 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 2dmu h PHE 26 Cb 2.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.51 2dmu h PHE 26 CO 0.14 0.36 -0.10 1.96 -2.02 0.00 0.00 178.31 178.65 2dmu h GLN 27 N 0.00 -0.26 -0.89 1.11 1.08 -0.13 -3.24 115.11 112.78 2dmu h GLN 27 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2dmu h GLN 27 Cb 0.71 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.15 2dmu h GLN 27 CO 0.05 0.11 0.57 1.05 -0.95 0.00 0.00 178.83 179.65 2dmu h GLU 28 N -0.92 1.19 -3.11 1.46 4.11 -1.54 -3.42 114.58 112.35 2dmu h GLU 28 Ca -0.03 -0.09 -0.26 0.00 0.07 0.00 0.00 59.36 59.06 2dmu h GLU 28 Cb 0.49 -0.26 -0.33 0.00 0.50 0.00 0.00 28.75 29.15 2dmu h GLU 28 CO 0.05 0.81 -0.59 -0.08 0.07 0.00 0.00 179.01 179.26 2dmu s THR 29 N -6.05 -0.18 0.11 -1.06 -1.32 -0.53 -5.05 115.64 101.55 2dmu s THR 29 Ca -0.13 0.26 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 2dmu s THR 29 Cb 0.17 -0.30 -0.10 0.00 -1.51 0.00 0.00 72.50 70.75 2dmu s THR 29 CO 0.81 0.11 1.67 0.11 -2.21 0.00 0.00 174.62 175.10 2dmu h LYS 30 N 7.83 -0.34 -4.41 7.08 6.56 -1.78 -3.32 116.57 128.18 2dmu h LYS 30 Ca -0.27 0.02 -0.71 0.00 -1.06 0.00 0.00 60.65 58.63 2dmu h LYS 30 Cb 1.13 0.08 -0.30 0.00 -0.57 0.00 0.00 32.23 32.56 2dmu h LYS 30 CO 0.27 -0.23 -0.47 0.71 -2.06 0.00 0.00 179.45 177.67 2dmu s TYR 31 N -6.11 3.43 0.65 -1.35 1.51 -1.26 -4.83 117.35 109.39 2dmu s TYR 31 Ca -0.15 -1.90 -0.15 0.00 -1.01 0.00 0.00 57.07 53.86 2dmu s TYR 31 Cb 0.07 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.72 2dmu s TYR 31 CO 0.66 -0.93 1.11 -1.25 -1.11 0.00 0.00 175.55 174.02 2dmu s PRO 32 N 1.32 2.86 0.50 -1.71 0.04 -1.26 -5.04 135.00 131.72 2dmu s PRO 32 Ca 0.05 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 2dmu s PRO 32 Cb -0.24 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2dmu s PRO 32 CO -0.01 -1.21 0.86 0.16 0.04 0.00 0.00 177.00 176.85 2dmu s ASP 33 N -2.50 6.36 0.32 6.66 1.47 -1.26 -4.86 116.67 122.85 2dmu s ASP 33 Ca 0.68 1.17 0.06 0.00 1.18 0.00 0.00 52.55 55.63 2dmu s ASP 33 Cb -0.21 -2.35 0.72 0.00 -0.34 0.00 0.00 42.92 40.74 2dmu s ASP 33 CO 0.40 -0.61 1.83 1.62 0.68 0.00 0.00 175.17 179.09 2dmu h VAL 34 N 0.38 0.81 -0.76 2.11 3.04 -1.99 0.55 116.25 120.40 2dmu h VAL 34 Ca -0.46 -0.28 -0.04 0.00 -1.01 0.00 0.00 66.70 64.91 2dmu h VAL 34 Cb 1.19 -0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.37 2dmu h VAL 34 CO 0.62 0.15 0.31 1.23 -1.01 0.00 0.00 177.57 178.87 2dmu h GLY 35 N 0.81 1.20 0.98 3.17 0.00 -2.00 -0.48 103.07 106.75 2dmu h GLY 35 Ca 0.51 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 2dmu h GLY 35 CO -0.28 0.60 -0.72 -0.84 0.00 0.00 0.00 176.54 175.30 2dmu h THR 36 N 1.09 1.35 0.23 4.70 2.02 -1.51 -3.07 112.91 117.72 2dmu h THR 36 Ca 0.25 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 2dmu h THR 36 Cb 0.19 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2dmu h THR 36 CO -0.02 0.62 -0.11 0.03 0.37 0.00 0.00 175.52 176.41 2dmu h ARG 37 N 0.18 -0.29 -0.31 6.66 3.08 -0.84 0.85 114.38 123.71 2dmu h ARG 37 Ca -0.08 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.06 2dmu h ARG 37 Cb 1.39 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.42 2dmu h ARG 37 CO 0.14 -0.12 -0.30 0.93 -1.07 0.00 0.00 179.97 179.56 2dmu h GLU 38 N -0.40 -0.26 0.60 0.04 5.08 -1.19 0.30 114.58 118.74 2dmu h GLU 38 Ca -0.03 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2dmu h GLU 38 Cb 0.31 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2dmu h GLU 38 CO 0.05 -0.17 -0.29 1.96 -1.00 0.00 0.00 179.01 179.56 2dmu h GLN 39 N -0.27 -0.78 -0.86 2.33 1.08 -1.48 -2.99 115.11 112.14 2dmu h GLN 39 Ca 0.15 0.05 0.22 0.00 -1.45 0.00 0.00 58.65 57.63 2dmu h GLN 39 Cb 0.51 0.18 -0.15 0.00 -0.05 0.00 0.00 27.48 27.97 2dmu h GLN 39 CO -0.46 -0.48 0.08 1.25 -0.95 0.00 0.00 178.83 178.26 2dmu h LEU 40 N -0.90 -0.29 -0.11 1.46 5.85 -0.49 -0.73 115.31 120.11 2dmu h LEU 40 Ca -0.08 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2dmu h LEU 40 Cb 0.65 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2dmu h LEU 40 CO 0.14 -0.23 -0.19 0.00 -0.34 0.00 0.00 178.44 177.82 2dmu h ALA 41 N 1.81 -0.52 -0.67 1.25 0.00 -0.79 0.44 119.26 120.79 2dmu h ALA 41 Ca 0.51 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.54 2dmu h ALA 41 Cb 0.99 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 2dmu h ALA 41 CO -0.74 -0.60 0.45 0.00 0.00 0.00 0.00 179.25 178.36 2dmu h ARG 42 N -0.16 0.37 -0.58 0.00 3.08 -1.32 0.62 114.38 116.38 2dmu h ARG 42 Ca 0.02 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2dmu h ARG 42 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2dmu h ARG 42 CO -0.19 0.24 0.10 -0.22 -1.07 0.00 0.00 179.97 178.83 2dmu h LYS 43 N 0.38 0.97 -0.54 0.04 3.64 0.39 -2.70 116.57 118.74 2dmu h LYS 43 Ca 0.32 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2dmu h LYS 43 Cb 0.73 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2dmu h LYS 43 CO -0.09 0.92 0.00 1.33 -2.27 0.00 0.00 179.45 179.34 2dmu n VAL 44 N -4.32 0.71 -3.58 2.00 0.24 0.14 -4.95 118.33 108.58 2dmu n VAL 44 Ca 0.03 -0.80 -0.20 0.00 -2.04 0.00 0.00 64.34 61.33 2dmu n VAL 44 Cb 0.27 0.59 0.06 0.00 -1.47 0.00 0.00 33.84 33.30 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 1.36 -2.21 -4.36 6.34 8.25 0.19 -4.87 115.22 119.91 2dmu n HIS 45 Ca 0.21 0.92 -0.20 0.00 -0.26 0.00 0.00 57.72 58.39 2dmu n HIS 45 Cb 0.55 -4.77 -0.09 0.00 1.12 0.00 0.00 29.99 26.80 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 -6.67 1.74 0.07 2.41 1.43 0.59 -4.98 118.68 113.26 2dmu s LEU 46 Ca 0.14 -1.60 -0.06 0.00 -1.03 0.00 0.00 54.13 51.58 2dmu s LEU 46 Cb -0.07 0.18 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 2dmu s LEU 46 CO 0.76 -0.91 0.32 -0.13 0.23 0.00 0.00 176.35 176.63 2dmu s ARG 47 N -3.76 3.62 0.18 1.70 0.52 -1.26 -3.95 118.95 115.99 2dmu s ARG 47 Ca 0.34 -0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 55.32 2dmu s ARG 47 Cb 0.04 -2.99 0.12 0.00 0.52 0.00 0.00 34.95 32.64 2dmu s ARG 47 CO 0.18 0.57 1.64 0.93 0.02 0.00 0.00 175.30 178.64 2dmu h GLU 48 N 3.50 -0.09 -0.59 3.54 3.07 -1.92 -0.75 114.58 121.35 2dmu h GLU 48 Ca -0.48 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.50 2dmu h GLU 48 Cb 1.18 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 29.02 2dmu h GLU 48 CO 0.69 -0.06 0.09 1.05 -1.40 0.00 0.00 179.01 179.38 2dmu h GLU 49 N -0.09 0.20 -0.61 2.33 4.11 -1.97 -0.96 114.58 117.59 2dmu h GLU 49 Ca 0.21 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.64 2dmu h GLU 49 Cb 0.42 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2dmu h GLU 49 CO -0.50 0.13 0.40 0.87 0.07 0.00 0.00 179.01 179.99 2dmu h LYS 50 N 0.21 0.80 -0.65 1.06 1.79 -1.60 -2.22 116.57 115.96 2dmu h LYS 50 Ca 0.31 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.86 2dmu h LYS 50 Cb 0.47 -0.18 -0.10 0.00 -1.58 0.00 0.00 32.23 30.84 2dmu h LYS 50 CO -0.43 0.53 0.13 0.28 -1.08 0.00 0.00 179.45 178.88 2dmu h VAL 51 N 0.82 0.58 -0.39 0.50 2.07 0.14 -1.14 116.25 118.83 2dmu h VAL 51 Ca 0.22 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2dmu h VAL 51 Cb -0.09 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2dmu h VAL 51 CO -0.05 0.05 0.06 -0.08 0.02 0.00 0.00 177.57 177.56 2dmu h GLU 52 N 0.25 0.65 -0.34 1.57 4.81 -1.08 -3.14 114.58 117.30 2dmu h GLU 52 Ca 0.35 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2dmu h GLU 52 Cb 0.56 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2dmu h GLU 52 CO -0.46 0.71 -0.51 0.28 -0.73 0.00 0.00 179.01 178.30 2dmu h VAL 53 N 0.50 0.00 -0.60 0.32 2.07 -0.62 -0.08 116.25 117.84 2dmu h VAL 53 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 2dmu h VAL 53 Cb 0.38 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 2dmu h VAL 53 CO 0.01 0.00 -0.20 -0.25 0.02 0.00 0.00 177.57 177.15 2dmu h TRP 54 N -0.39 -0.48 -0.19 1.57 7.01 -1.48 -0.82 115.95 121.17 2dmu h TRP 54 Ca 0.06 0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.17 2dmu h TRP 54 Cb 0.56 0.30 -0.06 0.00 -2.10 0.00 0.00 29.16 27.87 2dmu h TRP 54 CO -0.70 -0.30 -0.18 0.74 -2.79 0.00 0.00 178.44 175.21 2dmu h PHE 55 N -0.05 -0.46 -0.68 2.65 -1.00 -1.20 -1.76 116.94 114.44 2dmu h PHE 55 Ca 0.28 0.03 0.14 0.00 2.81 0.00 0.00 57.97 61.23 2dmu h PHE 55 Cb 0.48 0.23 -0.10 0.00 3.61 0.00 0.00 35.95 40.18 2dmu h PHE 55 CO -0.53 -0.25 0.14 0.87 -1.61 0.00 0.00 178.31 176.93 2dmu h LYS 56 N -0.19 0.25 -0.75 1.51 1.57 0.34 0.20 116.57 119.50 2dmu h LYS 56 Ca 0.12 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2dmu h LYS 56 Cb 0.37 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2dmu h LYS 56 CO -0.31 0.16 0.45 -0.91 -0.57 0.00 0.00 179.45 178.27 2dmu h ASN 57 N 0.26 0.69 0.56 0.86 2.35 -0.50 0.12 115.58 119.91 2dmu h ASN 57 Ca 0.37 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.12 2dmu h ASN 57 Cb 0.61 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.86 2dmu h ASN 57 CO -0.48 0.45 -0.27 0.03 -1.65 0.00 0.00 177.43 175.51 2dmu h ARG 58 N 0.82 -0.72 -0.96 0.81 -0.00 -0.38 -3.19 114.38 110.76 2dmu h ARG 58 Ca 0.33 0.05 0.24 0.00 -0.50 0.00 0.00 59.98 60.09 2dmu h ARG 58 Cb 0.16 0.16 -0.07 0.00 0.00 0.00 0.00 29.97 30.22 2dmu h ARG 58 CO -0.17 -0.48 0.64 0.07 0.00 0.00 0.00 179.97 180.03 2dmu h ARG 59 N -1.20 0.34 -0.36 0.04 0.11 -0.63 -1.23 114.38 111.44 2dmu h ARG 59 Ca -0.08 -0.02 0.08 0.00 0.10 0.00 0.00 59.98 60.06 2dmu h ARG 59 Cb 0.58 -0.08 -0.09 0.00 1.11 0.00 0.00 29.97 31.49 2dmu h ARG 59 CO 0.13 0.22 -0.28 0.00 0.10 0.00 0.00 179.97 180.14 2dmu h ALA 60 N 1.60 -0.11 -0.25 0.08 0.00 -0.74 -0.95 119.26 118.89 2dmu h ALA 60 Ca 0.51 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.39 2dmu h ALA 60 Cb 1.38 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2dmu h ALA 60 CO -0.19 -0.68 -0.37 0.87 0.00 0.00 0.00 179.25 178.89 2dmu h LYS 61 N -0.23 0.70 -1.03 0.00 1.57 -1.31 0.33 116.57 116.61 2dmu h LYS 61 Ca 0.17 -0.41 0.26 0.00 -1.87 0.00 0.00 60.65 58.80 2dmu h LYS 61 Cb 0.50 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.73 2dmu h LYS 61 CO -0.49 1.03 0.63 2.35 -0.57 0.00 0.00 179.45 182.39 2dmu h TRP 62 N 0.42 0.88 0.05 -1.35 7.01 -0.71 0.21 115.95 122.46 2dmu h TRP 62 Ca 0.03 0.03 -0.35 0.00 2.11 0.00 0.00 58.89 60.71 2dmu h TRP 62 Cb 0.95 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 2dmu h TRP 62 CO 0.08 0.05 -1.99 -2.13 -2.79 0.00 0.00 178.44 171.66 2dmu n ARG 63 N -4.80 0.66 -0.26 2.65 0.63 -0.43 -4.34 116.66 110.77 2dmu n ARG 63 Ca 0.27 0.32 0.06 0.00 -0.92 0.00 0.00 57.85 57.58 2dmu n ARG 63 Cb 0.82 -1.65 0.19 0.00 0.45 0.00 0.00 32.46 32.28 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 -0.40 0.41 -6.37 -0.14 2.43 0.18 -3.41 114.38 107.08 2dmu h ARG 64 Ca -0.48 -0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.05 2dmu h ARG 64 Cb 1.75 -0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 31.07 2dmu h ARG 64 CO -0.11 0.27 -0.72 -1.12 -1.51 0.00 0.00 179.97 176.78 2dmu s SER 65 N -5.32 4.13 0.00 -3.80 0.01 0.69 -5.05 113.70 104.36 2dmu s SER 65 Ca -0.12 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2dmu s SER 65 Cb 0.21 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2dmu s SER 65 CO 0.76 0.07 0.00 0.61 0.41 0.00 0.00 173.24 175.09 2dmu n GLY 66 N -0.26 5.02 0.00 3.44 0.00 -1.26 -4.60 105.19 107.53 2dmu n GLY 66 Ca -0.09 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 0.49 -2.72 1.61 -0.04 -1.26 -4.77 135.00 128.31 2dmu n PRO 67 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2dmu n PRO 67 Cb 0.00 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 2dmu n PRO 67 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmu s SER 68 N -1.88 6.34 -0.22 3.54 1.04 -1.26 -5.08 113.70 116.18 2dmu s SER 68 Ca 0.18 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 2dmu s SER 68 Cb 0.08 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 64.00 2dmu s SER 68 CO 0.14 -0.52 0.00 -0.44 0.98 0.00 0.00 173.24 173.40 2dmu s SER 69 N -3.80 3.37 0.00 7.02 0.01 -1.26 -5.11 113.70 113.93 2dmu s SER 69 Ca 0.48 -1.02 0.18 0.00 1.31 0.00 0.00 55.95 56.90 2dmu s SER 69 Cb -0.10 -0.85 1.07 0.00 0.21 0.00 0.00 66.02 66.34 2dmu s SER 69 CO 0.41 -0.28 1.47 0.61 0.41 0.00 0.00 173.24 175.85