#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cue h SER 2 N 0.00 -1.57 -4.23 1.61 0.02 -2.14 -3.42 113.55 103.82 2cue h SER 2 Ca 0.00 0.19 -0.52 0.00 -0.84 0.00 0.00 61.79 60.62 2cue h SER 2 Cb 0.00 0.62 0.14 0.00 0.14 0.00 0.00 62.40 63.30 2cue h SER 2 CO 0.00 -0.47 0.33 -0.94 -1.14 0.00 0.00 176.83 174.61 2cue s SER 3 N -4.84 4.24 0.00 3.07 1.04 -1.26 -4.83 113.70 111.12 2cue s SER 3 Ca -0.16 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.38 2cue s SER 3 Cb 0.08 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2cue s SER 3 CO 0.62 -2.22 0.00 0.61 0.98 0.00 0.00 173.24 173.23 2cue n GLY 4 N -0.26 -0.11 4.39 7.32 0.00 -1.26 -5.02 105.19 110.24 2cue n GLY 4 Ca 0.11 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2cue n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cue n SER 5 N 0.00 -1.80 0.38 1.61 3.41 -1.26 -4.85 113.62 111.11 2cue n SER 5 Ca 0.00 -1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 57.29 2cue n SER 5 Cb 0.00 -2.03 -0.07 0.00 -0.26 0.00 0.00 64.21 61.85 2cue n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cue h SER 6 N -1.24 -0.82 -5.00 4.04 0.87 -2.02 -3.50 113.55 105.89 2cue h SER 6 Ca -0.61 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2cue h SER 6 Cb 1.39 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2cue h SER 6 CO 0.82 -0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 2cue n GLY 7 N -1.10 2.67 3.19 5.77 0.00 -1.26 -5.13 105.19 109.33 2cue n GLY 7 Ca -0.12 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 2cue n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cue s GLN 8 N -3.05 0.79 0.18 1.61 0.74 -1.26 -5.18 119.66 113.49 2cue s GLN 8 Ca 0.00 -0.92 0.06 0.00 0.05 0.00 0.00 55.36 54.55 2cue s GLN 8 Cb 0.00 0.32 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 2cue s GLN 8 CO 0.00 -0.24 -0.13 -0.98 -0.55 0.00 0.00 175.29 173.39 2cue s ARG 9 N -3.62 1.20 -0.90 1.67 1.70 -1.26 -5.10 118.95 112.65 2cue s ARG 9 Ca 0.03 -1.52 -0.04 0.00 -0.47 0.00 0.00 55.73 53.73 2cue s ARG 9 Cb 0.04 -0.90 0.22 0.00 -0.57 0.00 0.00 34.95 33.75 2cue s ARG 9 CO -0.10 0.14 0.80 0.54 -1.08 0.00 0.00 175.30 175.60 2cue s ASN 10 N -3.23 6.19 0.20 -2.89 4.22 -1.26 -5.06 114.94 113.11 2cue s ASN 10 Ca 0.20 -3.54 -0.13 0.00 -2.14 0.00 0.00 52.86 47.26 2cue s ASN 10 Cb 0.01 -1.97 -0.07 0.00 1.28 0.00 0.00 41.25 40.49 2cue s ASN 10 CO 0.04 -0.25 0.58 -0.60 -2.04 0.00 0.00 177.10 174.83 2cue s ARG 11 N -1.09 3.92 -0.02 3.55 3.52 -1.26 -5.09 118.95 122.48 2cue s ARG 11 Ca 0.26 0.43 0.07 0.00 -0.13 0.00 0.00 55.73 56.36 2cue s ARG 11 Cb -0.09 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 2cue s ARG 11 CO -0.10 0.37 -0.22 0.95 -0.81 0.00 0.00 175.30 175.49 2cue s THR 12 N -1.68 2.40 -0.12 4.11 -4.23 -1.26 -5.03 115.64 109.83 2cue s THR 12 Ca 0.44 -1.03 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2cue s THR 12 Cb -0.13 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2cue s THR 12 CO 0.20 0.55 -0.16 -1.20 -0.54 0.00 0.00 174.62 173.47 2cue n SER 13 N 2.27 0.89 -4.69 3.99 7.64 -1.26 -5.05 113.62 117.42 2cue n SER 13 Ca -0.16 0.15 -0.29 0.00 1.01 0.00 0.00 58.87 59.57 2cue n SER 13 Cb 0.52 -0.36 0.15 0.00 -1.01 0.00 0.00 64.21 63.51 2cue n SER 13 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2cue s PHE 14 N -2.22 2.30 0.13 1.43 0.08 -1.26 -5.07 117.98 113.36 2cue s PHE 14 Ca -0.17 0.82 0.08 0.00 0.12 0.00 0.00 56.93 57.78 2cue s PHE 14 Cb 0.07 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 2cue s PHE 14 CO 0.21 -2.55 -0.10 0.95 -0.10 0.00 0.00 175.22 173.64 2cue s THR 15 N -3.25 3.29 0.58 0.64 -4.23 -1.26 -4.99 115.64 106.43 2cue s THR 15 Ca 0.65 -1.40 0.29 0.00 -1.18 0.00 0.00 61.69 60.06 2cue s THR 15 Cb -0.15 -2.57 0.41 0.00 1.34 0.00 0.00 72.50 71.54 2cue s THR 15 CO 0.54 0.04 1.87 -0.61 -0.54 0.00 0.00 174.62 175.92 2cue h GLN 16 N 3.40 0.00 0.00 3.99 4.15 -1.98 0.65 115.11 125.32 2cue h GLN 16 Ca -0.48 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 58.80 2cue h GLN 16 Cb 1.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 2cue h GLN 16 CO 0.52 0.00 -0.64 0.93 -1.93 0.00 0.00 178.83 177.72 2cue h GLU 17 N 0.00 0.00 0.04 1.69 5.08 -2.01 -2.76 114.58 116.62 2cue h GLU 17 Ca 0.28 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.33 2cue h GLU 17 Cb 1.39 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 2cue h GLU 17 CO -0.00 0.64 -1.78 1.96 -1.00 0.00 0.00 179.01 178.83 2cue h GLN 18 N 0.00 0.09 -0.79 2.33 4.20 -0.17 -3.36 115.11 117.40 2cue h GLN 18 Ca -0.01 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 2cue h GLN 18 Cb 1.13 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 2cue h GLN 18 CO 0.08 0.73 0.30 0.82 -0.67 0.00 0.00 178.83 180.09 2cue h ILE 19 N 0.02 1.26 -0.56 2.54 2.04 -0.80 -0.64 117.51 121.38 2cue h ILE 19 Ca -0.32 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 64.75 2cue h ILE 19 Cb 2.02 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 2cue h ILE 19 CO 0.09 0.34 0.29 1.05 0.00 0.00 0.00 178.15 179.92 2cue h GLU 20 N 1.15 0.54 -0.01 2.37 4.11 -1.64 0.46 114.58 121.55 2cue h GLU 20 Ca 0.26 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 2cue h GLU 20 Cb 0.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2cue h GLU 20 CO -0.02 0.36 -0.69 0.00 0.07 0.00 0.00 179.01 178.73 2cue h ALA 21 N 1.30 0.84 -0.03 1.06 0.00 -1.65 -2.01 119.26 118.77 2cue h ALA 21 Ca 0.25 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2cue h ALA 21 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2cue h ALA 21 CO -0.16 0.84 -0.80 -0.07 0.00 0.00 0.00 179.25 179.06 2cue h LEU 22 N 0.04 0.31 -0.01 0.00 3.38 -0.30 -2.82 115.31 115.91 2cue h LEU 22 Ca -0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2cue h LEU 22 Cb 1.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2cue h LEU 22 CO 0.09 0.98 -0.24 -0.33 0.09 0.00 0.00 178.44 179.04 2cue h GLU 23 N 0.16 0.17 -0.98 1.13 5.08 -0.07 -2.80 114.58 117.27 2cue h GLU 23 Ca -0.04 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2cue h GLU 23 Cb 1.39 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.61 2cue h GLU 23 CO 0.13 0.90 0.63 -0.22 -1.00 0.00 0.00 179.01 179.45 2cue h LYS 24 N -0.49 1.04 -0.02 2.33 3.64 -1.44 0.13 116.57 121.76 2cue h LYS 24 Ca -0.03 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2cue h LYS 24 Cb 0.98 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2cue h LYS 24 CO 0.05 0.69 -0.48 1.49 -2.27 0.00 0.00 179.45 178.93 2cue h GLU 25 N 1.08 0.05 -0.12 1.90 4.57 -1.56 -3.08 114.58 117.42 2cue h GLU 25 Ca 0.45 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 58.39 2cue h GLU 25 Cb 0.30 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2cue h GLU 25 CO -0.20 0.52 -0.76 0.35 -1.18 0.00 0.00 179.01 177.74 2cue h PHE 26 N 0.04 1.00 -0.29 0.92 3.04 -0.81 -1.37 116.94 119.46 2cue h PHE 26 Ca -0.00 -0.46 0.08 0.00 3.98 0.00 0.00 57.97 61.57 2cue h PHE 26 Cb 0.87 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 2cue h PHE 26 CO 0.00 1.28 0.21 0.93 -2.02 0.00 0.00 178.31 178.71 2cue h GLU 27 N 0.43 0.01 0.02 1.11 4.39 -0.96 -2.76 114.58 116.82 2cue h GLU 27 Ca -0.06 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.44 2cue h GLU 27 Cb 1.40 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 2cue h GLU 27 CO 0.16 0.01 -1.06 -0.09 -1.16 0.00 0.00 179.01 176.86 2cue h ARG 28 N 0.01 0.04 -3.43 2.33 9.65 -1.50 -3.47 114.38 118.02 2cue h ARG 28 Ca 0.14 -0.08 -0.36 0.00 -1.10 0.00 0.00 59.98 58.58 2cue h ARG 28 Cb 0.54 0.03 -0.37 0.00 -1.39 0.00 0.00 29.97 28.77 2cue h ARG 28 CO -0.00 1.04 -0.74 -0.08 2.80 0.00 0.00 179.97 182.98 2cue s THR 29 N -2.36 -0.03 -0.87 0.20 -1.32 -0.52 -5.00 115.64 105.73 2cue s THR 29 Ca -0.25 0.32 0.24 0.00 -1.21 0.00 0.00 61.69 60.79 2cue s THR 29 Cb 0.04 -0.17 0.22 0.00 -1.51 0.00 0.00 72.50 71.08 2cue s THR 29 CO 0.64 0.16 1.75 1.41 -2.21 0.00 0.00 174.62 176.37 2cue n HIS 30 N 4.91 0.30 -3.58 9.09 8.25 -1.23 -3.98 115.22 128.98 2cue n HIS 30 Ca -0.12 0.10 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 2cue n HIS 30 Cb 0.50 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 2cue n HIS 30 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2cue s TYR 31 N -3.06 1.89 -0.43 4.41 2.02 -1.26 -4.95 117.35 115.97 2cue s TYR 31 Ca 0.10 -2.59 -0.28 0.00 -0.37 0.00 0.00 57.07 53.93 2cue s TYR 31 Cb 0.14 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2cue s TYR 31 CO 0.46 -0.74 1.75 -1.25 -1.57 0.00 0.00 175.55 174.20 2cue s PRO 32 N -0.29 3.16 1.28 -1.71 0.04 -1.26 -4.99 135.00 131.23 2cue s PRO 32 Ca 0.28 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.20 2cue s PRO 32 Cb -0.03 -4.23 0.33 0.00 0.04 0.00 0.00 34.50 30.61 2cue s PRO 32 CO -0.15 -2.07 0.79 -0.25 0.04 0.00 0.00 177.00 175.36 2cue n ASP 33 N 10.77 -3.72 -0.16 6.66 9.92 -1.26 -4.11 116.55 134.65 2cue n ASP 33 Ca 0.21 -0.82 0.10 0.00 -0.53 0.00 0.00 54.79 53.75 2cue n ASP 33 Cb 0.49 -0.88 0.42 0.00 -0.64 0.00 0.00 41.12 40.50 2cue n ASP 33 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2cue h VAL 34 N -3.37 0.93 0.00 2.53 3.04 -1.98 0.26 116.25 117.66 2cue h VAL 34 Ca -0.35 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 2cue h VAL 34 Cb 1.17 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2cue h VAL 34 CO 0.21 0.11 -0.06 -0.26 -1.01 0.00 0.00 177.57 176.56 2cue h PHE 35 N 0.60 0.00 0.00 3.17 0.04 -1.99 -0.86 116.94 117.90 2cue h PHE 35 Ca 0.33 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.76 2cue h PHE 35 Cb 0.47 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.58 2cue h PHE 35 CO -0.00 0.06 -1.81 0.00 -0.60 0.00 0.00 178.31 175.96 2cue n ALA 36 N -2.14 0.96 -0.29 2.45 0.00 0.56 -3.63 120.51 118.41 2cue n ALA 36 Ca -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 2cue n ALA 36 Cb 0.29 -0.28 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2cue n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cue h ARG 37 N -0.96 1.08 0.66 0.00 3.08 -0.67 -0.36 114.38 117.22 2cue h ARG 37 Ca -0.50 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.42 2cue h ARG 37 Cb 1.46 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.29 2cue h ARG 37 CO -0.29 0.76 -0.32 0.93 -1.07 0.00 0.00 179.97 179.99 2cue h GLU 38 N 1.09 -0.85 -0.62 0.04 5.08 -1.36 0.32 114.58 118.27 2cue h GLU 38 Ca 0.28 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 2cue h GLU 38 Cb -0.04 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2cue h GLU 38 CO -0.05 -0.54 0.27 0.00 -1.00 0.00 0.00 179.01 177.69 2cue h ARG 39 N -1.03 0.46 -0.49 2.33 3.08 -1.60 -1.52 114.38 115.60 2cue h ARG 39 Ca -0.09 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 2cue h ARG 39 Cb 0.71 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2cue h ARG 39 CO 0.15 0.30 -0.09 1.25 -1.07 0.00 0.00 179.97 180.51 2cue h LEU 40 N 0.47 0.88 -0.99 3.04 5.85 -1.00 -2.73 115.31 120.83 2cue h LEU 40 Ca 0.31 -0.27 0.32 0.00 0.84 0.00 0.00 57.88 59.08 2cue h LEU 40 Cb 0.34 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 40.98 2cue h LEU 40 CO -0.28 1.00 0.53 0.00 -0.34 0.00 0.00 178.44 179.35 2cue h ALA 41 N 1.08 1.90 0.00 1.25 0.00 0.73 1.14 119.26 125.36 2cue h ALA 41 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cue h ALA 41 Cb 0.61 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cue h ALA 41 CO 0.04 -0.59 -0.73 0.00 0.00 0.00 0.00 179.25 177.97 2cue h ALA 42 N 1.86 0.58 -0.00 0.00 0.00 -1.47 0.45 119.26 120.66 2cue h ALA 42 Ca 0.72 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.49 2cue h ALA 42 Cb 1.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2cue h ALA 42 CO -0.63 0.00 -0.67 -0.22 0.00 0.00 0.00 179.25 177.73 2cue h LYS 43 N 0.00 0.02 0.00 0.00 3.64 0.16 -3.29 116.57 117.10 2cue h LYS 43 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2cue h LYS 43 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2cue h LYS 43 CO 0.00 0.68 0.00 0.44 -2.27 0.00 0.00 179.45 178.30 2cue n ILE 44 N -3.75 0.29 -3.41 2.00 -5.35 -0.26 -5.02 119.36 103.86 2cue n ILE 44 Ca -0.01 -0.57 -0.17 0.00 -0.27 0.00 0.00 62.75 61.73 2cue n ILE 44 Cb 0.66 0.96 0.09 0.00 -1.74 0.00 0.00 39.64 39.61 2cue n ILE 44 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2cue n ASP 45 N -0.14 -2.51 -4.25 7.28 8.00 -0.16 -4.86 116.55 119.90 2cue n ASP 45 Ca 0.00 -0.59 -0.22 0.00 0.71 0.00 0.00 54.79 54.69 2cue n ASP 45 Cb 0.12 -4.99 -0.12 0.00 -0.02 0.00 0.00 41.12 36.11 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cue s LEU 46 N -6.33 2.31 0.20 0.64 1.43 0.14 -5.00 118.68 112.07 2cue s LEU 46 Ca 0.06 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 2cue s LEU 46 Cb -0.03 -0.75 -0.09 0.00 0.03 0.00 0.00 46.19 45.36 2cue s LEU 46 CO 0.71 -0.00 1.30 -2.16 0.23 0.00 0.00 176.35 176.43 2cue s PRO 47 N -1.98 4.40 0.66 1.29 0.04 -1.26 -4.36 135.00 133.78 2cue s PRO 47 Ca 0.05 2.04 0.18 0.00 0.04 0.00 0.00 61.00 63.31 2cue s PRO 47 Cb -0.09 -3.19 0.97 0.00 0.04 0.00 0.00 34.50 32.22 2cue s PRO 47 CO 0.04 -0.24 1.55 1.49 0.04 0.00 0.00 177.00 179.88 2cue h GLU 48 N 5.31 0.00 0.10 4.56 4.81 -1.93 0.70 114.58 128.13 2cue h GLU 48 Ca -0.45 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.50 2cue h GLU 48 Cb 1.21 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.62 2cue h GLU 48 CO 0.77 0.00 -1.19 0.00 -0.73 0.00 0.00 179.01 177.85 2cue h ALA 49 N 0.79 0.06 0.25 2.92 0.00 -1.96 -3.25 119.26 118.07 2cue h ALA 49 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2cue h ALA 49 Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2cue h ALA 49 CO -0.00 0.73 -0.12 0.00 0.00 0.00 0.00 179.25 179.86 2cue h ARG 50 N 0.27 -0.32 -0.71 0.00 2.47 0.06 -3.04 114.38 113.10 2cue h ARG 50 Ca -0.17 0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.73 2cue h ARG 50 Cb 1.86 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 30.13 2cue h ARG 50 CO 0.22 -0.12 -0.06 0.82 0.56 0.00 0.00 179.97 181.39 2cue h ILE 51 N -0.47 0.35 -0.61 2.04 2.04 -1.64 0.41 117.51 119.63 2cue h ILE 51 Ca -0.03 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 65.93 2cue h ILE 51 Cb 0.35 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 36.60 2cue h ILE 51 CO 0.06 0.01 -0.08 1.56 0.00 0.00 0.00 178.15 179.70 2cue h GLN 52 N 0.06 0.05 0.42 2.37 4.20 -1.56 -0.96 115.11 119.69 2cue h GLN 52 Ca 0.37 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 2cue h GLN 52 Cb 0.62 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2cue h GLN 52 CO -0.66 0.03 -0.20 0.28 -0.67 0.00 0.00 178.83 177.61 2cue h VAL 53 N 0.05 0.00 -1.11 -0.54 2.07 -0.92 -0.24 116.25 115.57 2cue h VAL 53 Ca 0.30 -0.11 0.42 0.00 0.82 0.00 0.00 66.70 68.13 2cue h VAL 53 Cb 0.48 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.11 2cue h VAL 53 CO -0.57 0.00 0.67 1.87 0.02 0.00 0.00 177.57 179.55 2cue n TRP 54 N -3.82 0.84 0.08 1.57 -0.00 -0.56 0.19 117.44 115.74 2cue n TRP 54 Ca -0.07 0.85 -0.22 0.00 -0.00 0.00 0.00 57.50 58.06 2cue n TRP 54 Cb 0.22 -1.27 -0.13 0.00 -0.00 0.00 0.00 31.31 30.14 2cue n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2cue h PHE 55 N 0.00 0.98 0.24 5.87 -1.00 -1.06 -3.02 116.94 118.95 2cue h PHE 55 Ca 0.80 -0.60 0.00 0.00 2.81 0.00 0.00 57.97 60.98 2cue h PHE 55 Cb 2.36 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 41.82 2cue h PHE 55 CO -0.01 1.44 -0.25 1.03 -1.61 0.00 0.00 178.31 178.91 2cue h SER 56 N 0.24 -0.67 -0.98 2.17 0.87 0.40 -2.01 113.55 113.58 2cue h SER 56 Ca -0.17 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2cue h SER 56 Cb 1.83 0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 63.96 2cue h SER 56 CO 0.22 -0.36 0.63 0.78 -0.53 0.00 0.00 176.83 177.57 2cue h ASN 57 N -0.53 1.01 0.06 6.23 2.35 -1.30 -2.63 115.58 120.78 2cue h ASN 57 Ca -0.00 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2cue h ASN 57 Cb 0.49 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2cue h ASN 57 CO -0.06 0.65 -0.23 0.03 -1.65 0.00 0.00 177.43 176.17 2cue h ARG 58 N 1.15 -0.38 -1.00 0.81 2.47 -1.29 -1.86 114.38 114.28 2cue h ARG 58 Ca 0.42 0.03 0.40 0.00 -1.26 0.00 0.00 59.98 59.57 2cue h ARG 58 Cb 0.15 0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 28.38 2cue h ARG 58 CO -0.16 -0.25 0.53 0.00 0.56 0.00 0.00 179.97 180.64 2cue h ARG 59 N -0.39 0.03 -0.26 0.04 3.08 -0.98 1.67 114.38 117.56 2cue h ARG 59 Ca 0.04 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 2cue h ARG 59 Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2cue h ARG 59 CO -0.16 0.02 -0.42 0.00 -1.07 0.00 0.00 179.97 178.34 2cue h ALA 60 N 1.98 0.77 0.00 0.04 0.00 -1.39 0.22 119.26 120.88 2cue h ALA 60 Ca 0.83 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2cue h ALA 60 Cb 2.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2cue h ALA 60 CO -0.76 0.66 -0.23 -0.22 0.00 0.00 0.00 179.25 178.70 2cue h LYS 61 N 0.52 0.00 0.07 0.00 3.64 0.26 -2.57 116.57 118.49 2cue h LYS 61 Ca 0.04 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.13 2cue h LYS 61 Cb 0.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2cue h LYS 61 CO 0.09 0.23 -1.57 2.35 -2.27 0.00 0.00 179.45 178.28 2cue h TRP 62 N 0.00 0.26 0.00 1.91 7.01 -0.43 -3.04 115.95 121.67 2cue h TRP 62 Ca -0.00 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.79 2cue h TRP 62 Cb 0.90 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.95 2cue h TRP 62 CO 0.00 1.62 -0.05 0.00 -2.79 0.00 0.00 178.44 177.22 2cue h ARG 63 N -0.46 0.00 0.13 2.65 3.08 -0.63 0.15 114.38 119.30 2cue h ARG 63 Ca -0.37 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.34 2cue h ARG 63 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.71 2cue h ARG 63 CO -0.05 0.05 -1.78 0.07 -1.07 0.00 0.00 179.97 177.19 2cue h ARG 64 N 0.00 0.27 -0.00 0.04 0.11 -1.60 -3.37 114.38 109.83 2cue h ARG 64 Ca -0.00 -0.46 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2cue h ARG 64 Cb 0.26 0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2cue h ARG 64 CO 0.01 1.14 -0.05 0.93 0.10 0.00 0.00 179.97 182.10 2cue h GLU 65 N 0.07 0.04 -1.53 0.08 5.08 -1.33 -3.12 114.58 113.86 2cue h GLU 65 Ca -0.34 -0.04 0.45 0.00 -1.00 0.00 0.00 59.36 58.43 2cue h GLU 65 Cb 2.05 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 31.25 2cue h GLU 65 CO 0.13 0.78 1.19 0.93 -1.00 0.00 0.00 179.01 181.04 2cue h GLU 66 N -0.68 0.00 0.00 2.33 4.39 -0.90 0.41 114.58 120.13 2cue h GLU 66 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2cue h GLU 66 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2cue h GLU 66 CO 0.01 0.00 -0.08 0.87 -1.16 0.00 0.00 179.01 178.65 2cue h LYS 67 N 0.00 0.01 -0.56 2.33 1.79 -1.71 -3.22 116.57 115.22 2cue h LYS 67 Ca 0.73 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 59.26 2cue h LYS 67 Cb 3.09 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 33.69 2cue h LYS 67 CO -0.01 1.01 0.21 -0.07 -1.08 0.00 0.00 179.45 179.51 2cue h LEU 68 N -0.98 0.22 -0.88 2.94 3.38 -0.20 -1.40 115.31 118.38 2cue h LEU 68 Ca -0.02 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2cue h LEU 68 Cb 1.03 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 2cue h LEU 68 CO -0.00 0.15 0.53 -0.09 0.09 0.00 0.00 178.44 179.11 2cue h ARG 69 N 0.40 0.88 -0.51 1.13 1.12 -1.24 -0.43 114.38 115.73 2cue h ARG 69 Ca 0.27 -0.05 0.07 0.00 -1.11 0.00 0.00 59.98 59.16 2cue h ARG 69 Cb 0.31 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.04 2cue h ARG 69 CO -0.27 0.58 0.34 -0.97 -3.11 0.00 0.00 179.97 176.55 2cue h ASN 70 N 0.91 0.34 0.00 -3.80 -0.73 -1.26 0.75 115.58 111.78 2cue h ASN 70 Ca 0.41 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.59 2cue h ASN 70 Cb 0.32 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2cue h ASN 70 CO -0.22 0.22 0.00 1.56 -0.37 0.00 0.00 177.43 178.62 2cue h GLN 71 N 0.39 0.00 -0.42 6.67 4.20 -0.86 0.94 115.11 126.02 2cue h GLN 71 Ca 0.23 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 2cue h GLN 71 Cb 0.39 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 2cue h GLN 71 CO -0.06 0.00 0.06 0.54 -0.67 0.00 0.00 178.83 178.70 2cue n ARG 72 N -2.32 2.86 -4.41 1.46 5.12 0.26 -4.98 116.66 114.65 2cue n ARG 72 Ca -0.02 -3.00 -0.24 0.00 -1.93 0.00 0.00 57.85 52.66 2cue n ARG 72 Cb 0.04 -1.94 -0.11 0.00 -1.16 0.00 0.00 32.46 29.29 2cue n ARG 72 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2cue s ARG 73 N -2.99 1.50 -1.35 5.56 6.06 0.32 -4.77 118.95 123.28 2cue s ARG 73 Ca 0.47 -1.59 -0.00 0.00 -2.50 0.00 0.00 55.73 52.11 2cue s ARG 73 Cb 0.39 -1.63 0.00 0.00 0.06 0.00 0.00 34.95 33.77 2cue s ARG 73 CO 0.08 0.32 0.59 1.04 -2.50 0.00 0.00 175.30 174.83 2cue n GLN 74 N -0.09 -4.29 -1.39 5.12 6.02 -1.26 -4.93 117.38 116.55 2cue n GLN 74 Ca -0.10 0.54 -0.32 0.00 -0.01 0.00 0.00 57.00 57.11 2cue n GLN 74 Cb 0.58 -4.93 0.08 0.00 1.02 0.00 0.00 30.24 26.99 2cue n GLN 74 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cue s SER 75 N -4.36 4.68 0.00 1.08 0.15 -1.26 -4.97 113.70 109.01 2cue s SER 75 Ca 0.01 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.52 2cue s SER 75 Cb -0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2cue s SER 75 CO 0.84 -1.92 0.00 0.61 1.20 0.00 0.00 173.24 173.97 2cue n GLY 76 N -1.05 3.10 3.77 9.45 0.00 -1.26 -5.09 105.19 114.11 2cue n GLY 76 Ca 0.09 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 2cue n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cue s PRO 77 N -2.26 3.74 0.82 1.61 0.04 -1.26 -4.98 135.00 132.72 2cue s PRO 77 Ca 0.00 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 2cue s PRO 77 Cb 0.00 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2cue s PRO 77 CO 0.00 -0.57 0.21 0.43 0.04 0.00 0.00 177.00 177.11 2cue n SER 78 N -0.53 -2.52 -3.98 6.66 7.64 -1.26 -4.82 113.62 114.82 2cue n SER 78 Ca 0.07 0.44 -0.36 0.00 1.01 0.00 0.00 58.87 60.04 2cue n SER 78 Cb 0.48 -1.10 0.02 0.00 -1.01 0.00 0.00 64.21 62.60 2cue n SER 78 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cue n SER 79 N 0.27 -4.58 0.00 6.43 2.88 -1.26 -5.30 113.62 112.05 2cue n SER 79 Ca 0.07 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2cue n SER 79 Cb 0.52 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42