#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cue s SER 2 N 0.00 -0.82 -0.27 1.61 0.15 -1.26 -5.15 113.70 107.96 2cue s SER 2 Ca 0.00 1.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.96 2cue s SER 2 Cb 0.00 1.38 -0.05 0.00 -1.71 0.00 0.00 66.02 65.64 2cue s SER 2 CO 0.00 -0.23 0.16 -0.94 1.20 0.00 0.00 173.24 173.43 2cue s SER 3 N 1.12 5.85 0.43 5.45 1.04 -1.26 -4.98 113.70 121.35 2cue s SER 3 Ca -0.06 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2cue s SER 3 Cb -0.05 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2cue s SER 3 CO -0.12 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2cue n GLY 4 N 4.92 0.28 3.64 7.32 0.00 -1.26 -4.85 105.19 115.25 2cue n GLY 4 Ca -0.15 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 2cue n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cue s SER 5 N -4.00 4.58 0.14 1.61 0.15 -1.26 -5.04 113.70 109.88 2cue s SER 5 Ca 0.00 -0.54 -0.24 0.00 0.70 0.00 0.00 55.95 55.87 2cue s SER 5 Cb 0.00 -0.89 -0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2cue s SER 5 CO 0.00 0.05 1.62 0.77 1.20 0.00 0.00 173.24 176.88 2cue h SER 6 N 2.35 -0.90 -5.62 5.45 4.64 -2.02 -3.47 113.55 113.98 2cue h SER 6 Ca -0.46 0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 2cue h SER 6 Cb 1.22 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2cue h SER 6 CO 0.58 -0.32 -0.77 0.61 -0.87 0.00 0.00 176.83 176.05 2cue n GLY 7 N -1.39 -1.36 3.38 -0.77 0.00 -1.26 -4.90 105.19 98.89 2cue n GLY 7 Ca -0.02 1.04 -0.45 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.32 3.95 0.02 1.61 2.00 -1.26 -4.99 119.66 118.67 2cue s GLN 8 Ca 0.23 -2.70 0.01 0.00 -2.00 0.00 0.00 55.36 50.90 2cue s GLN 8 Cb -0.05 -4.68 -0.02 0.00 0.80 0.00 0.00 33.01 29.06 2cue s GLN 8 CO 0.75 -1.44 -0.04 -0.98 -0.50 0.00 0.00 175.29 173.08 2cue s ARG 9 N 0.24 0.36 -0.29 1.67 1.70 -1.26 -5.15 118.95 116.22 2cue s ARG 9 Ca 0.30 -0.57 -0.17 0.00 -0.47 0.00 0.00 55.73 54.83 2cue s ARG 9 Cb -0.08 -0.08 0.12 0.00 -0.57 0.00 0.00 34.95 34.35 2cue s ARG 9 CO -0.07 0.00 0.89 -0.80 -1.08 0.00 0.00 175.30 174.24 2cue s ASN 10 N -1.25 -0.64 -0.53 -2.89 -0.87 -1.26 -5.12 114.94 102.38 2cue s ASN 10 Ca -0.11 1.05 -0.16 0.00 -1.57 0.00 0.00 52.86 52.07 2cue s ASN 10 Cb -0.08 1.24 0.12 0.00 -0.02 0.00 0.00 41.25 42.50 2cue s ASN 10 CO -0.00 -0.17 0.48 -0.13 -2.57 0.00 0.00 177.10 174.71 2cue s ARG 11 N 1.28 2.99 -0.49 -0.60 3.00 -1.26 -5.01 118.95 118.86 2cue s ARG 11 Ca -0.08 -1.61 -0.31 0.00 0.00 0.00 0.00 55.73 53.74 2cue s ARG 11 Cb -0.04 -4.26 -0.11 0.00 0.00 0.00 0.00 34.95 30.54 2cue s ARG 11 CO -0.15 -1.27 2.35 2.41 0.00 0.00 0.00 175.30 178.64 2cue n THR 12 N 5.25 0.09 -0.08 0.02 -1.04 -1.26 -4.81 114.28 112.45 2cue n THR 12 Ca -0.13 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.05 61.38 2cue n THR 12 Cb 0.41 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 66.97 2cue n THR 12 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2cue n SER 13 N 12.06 1.83 -4.74 8.00 2.88 -1.26 -4.96 113.62 127.43 2cue n SER 13 Ca 0.43 0.57 -0.31 0.00 -1.33 0.00 0.00 58.87 58.24 2cue n SER 13 Cb 0.32 -0.88 0.11 0.00 -0.75 0.00 0.00 64.21 63.01 2cue n SER 13 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2cue s PHE 14 N -2.31 2.40 0.11 0.66 0.40 -1.26 -5.06 117.98 112.91 2cue s PHE 14 Ca -0.19 1.48 0.07 0.00 -0.60 0.00 0.00 56.93 57.70 2cue s PHE 14 Cb 0.03 -3.11 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 2cue s PHE 14 CO 0.31 -2.10 -0.11 -0.08 0.70 0.00 0.00 175.22 173.94 2cue s THR 15 N -2.88 3.32 0.35 0.64 -1.32 -1.26 -4.95 115.64 109.54 2cue s THR 15 Ca 0.62 -1.31 0.16 0.00 -1.21 0.00 0.00 61.69 59.95 2cue s THR 15 Cb -0.18 -2.56 0.35 0.00 -1.51 0.00 0.00 72.50 68.60 2cue s THR 15 CO 0.57 0.10 1.61 -0.61 -2.21 0.00 0.00 174.62 174.07 2cue h GLN 16 N 3.58 0.11 -0.96 7.08 -0.00 -1.97 1.23 115.11 124.18 2cue h GLN 16 Ca -0.49 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.25 2cue h GLN 16 Cb 1.17 -0.02 -0.07 0.00 0.00 0.00 0.00 27.48 28.55 2cue h GLN 16 CO 0.52 0.07 0.61 0.93 0.00 0.00 0.00 178.83 180.96 2cue h GLU 17 N 0.11 0.97 0.08 1.69 3.07 -2.00 0.28 114.58 118.78 2cue h GLU 17 Ca 0.77 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.36 59.27 2cue h GLU 17 Cb 1.89 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 29.56 2cue h GLU 17 CO -0.73 0.64 -1.57 1.96 -1.40 0.00 0.00 179.01 177.92 2cue h GLN 18 N 1.00 0.17 -0.71 2.33 4.20 0.99 -3.33 115.11 119.75 2cue h GLN 18 Ca 0.44 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2cue h GLN 18 Cb 0.36 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2cue h GLN 18 CO -0.20 0.98 0.37 0.82 -0.67 0.00 0.00 178.83 180.13 2cue h ILE 19 N 0.05 1.22 -0.83 2.54 2.04 0.12 0.22 117.51 122.86 2cue h ILE 19 Ca -0.25 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2cue h ILE 19 Cb 1.99 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 2cue h ILE 19 CO 0.13 0.25 0.43 1.05 0.00 0.00 0.00 178.15 180.01 2cue h GLU 20 N 1.00 1.18 0.00 2.37 4.11 -1.08 0.13 114.58 122.29 2cue h GLU 20 Ca 0.25 -0.16 -0.21 0.00 0.07 0.00 0.00 59.36 59.32 2cue h GLU 20 Cb 0.05 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2cue h GLU 20 CO -0.04 0.89 -0.99 0.00 0.07 0.00 0.00 179.01 178.94 2cue h ALA 21 N 1.23 0.37 0.00 1.06 0.00 -1.55 -2.65 119.26 117.72 2cue h ALA 21 Ca 0.29 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 2cue h ALA 21 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2cue h ALA 21 CO -0.04 1.23 -0.53 -0.07 0.00 0.00 0.00 179.25 179.84 2cue h LEU 22 N 0.00 0.00 0.13 0.00 3.38 -0.22 -2.77 115.31 115.84 2cue h LEU 22 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2cue h LEU 22 Cb 1.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.52 2cue h LEU 22 CO 0.13 0.53 -0.98 -0.33 0.09 0.00 0.00 178.44 177.88 2cue h GLU 23 N 0.00 0.27 -0.27 1.13 5.08 -0.78 -3.25 114.58 116.76 2cue h GLU 23 Ca -0.01 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2cue h GLU 23 Cb 1.16 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2cue h GLU 23 CO 0.07 1.22 0.14 -0.22 -1.00 0.00 0.00 179.01 179.22 2cue h LYS 24 N -0.37 0.29 -0.59 2.33 3.64 -1.52 -1.56 116.57 118.77 2cue h LYS 24 Ca -0.19 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2cue h LYS 24 Cb 1.66 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.38 2cue h LYS 24 CO 0.12 0.19 0.40 1.49 -2.27 0.00 0.00 179.45 179.38 2cue h GLU 25 N 0.30 0.35 -0.18 1.90 4.57 -1.63 -1.47 114.58 118.42 2cue h GLU 25 Ca 0.11 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.11 2cue h GLU 25 Cb 0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2cue h GLU 25 CO -0.07 0.23 -0.50 0.35 -1.18 0.00 0.00 179.01 177.84 2cue h PHE 26 N 0.36 0.85 -0.66 0.92 3.04 -1.37 -1.46 116.94 118.61 2cue h PHE 26 Ca 0.28 -0.33 0.19 0.00 3.98 0.00 0.00 57.97 62.08 2cue h PHE 26 Cb 0.60 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 2cue h PHE 26 CO -0.00 1.12 0.49 0.93 -2.02 0.00 0.00 178.31 178.82 2cue h GLU 27 N 0.34 0.00 0.07 1.11 5.08 -0.34 -1.97 114.58 118.87 2cue h GLU 27 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 2cue h GLU 27 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2cue h GLU 27 CO 0.11 0.00 -1.62 -0.09 -1.00 0.00 0.00 179.01 176.41 2cue h ARG 28 N 0.00 0.15 -3.02 2.33 2.43 -1.43 -3.47 114.38 111.37 2cue h ARG 28 Ca 0.31 -0.25 -0.24 0.00 -0.81 0.00 0.00 59.98 58.99 2cue h ARG 28 Cb 1.28 0.09 -0.33 0.00 -0.42 0.00 0.00 29.97 30.60 2cue h ARG 28 CO -0.00 1.12 -0.57 -0.08 -1.51 0.00 0.00 179.97 178.93 2cue s THR 29 N -2.47 -0.25 -0.72 0.20 -1.32 -0.56 -5.01 115.64 105.52 2cue s THR 29 Ca -0.25 0.27 0.23 0.00 -1.21 0.00 0.00 61.69 60.72 2cue s THR 29 Cb 0.06 -0.36 0.23 0.00 -1.51 0.00 0.00 72.50 70.92 2cue s THR 29 CO 0.69 0.11 1.70 1.41 -2.21 0.00 0.00 174.62 176.32 2cue n HIS 30 N 4.98 0.54 -3.54 9.09 8.25 -1.21 -3.92 115.22 129.40 2cue n HIS 30 Ca -0.12 0.19 -0.27 0.00 -0.26 0.00 0.00 57.72 57.26 2cue n HIS 30 Cb 0.51 -0.81 -0.11 0.00 1.12 0.00 0.00 29.99 30.70 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 -3.15 1.75 -0.60 4.41 2.02 -1.26 -4.97 117.35 115.55 2cue s TYR 31 Ca 0.08 -2.57 -0.27 0.00 -0.37 0.00 0.00 57.07 53.94 2cue s TYR 31 Cb 0.11 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 2cue s TYR 31 CO 0.43 -0.75 1.86 -1.25 -1.57 0.00 0.00 175.55 174.26 2cue s PRO 32 N -0.28 2.65 1.01 -1.71 0.04 -1.26 -4.98 135.00 130.48 2cue s PRO 32 Ca 0.30 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 2cue s PRO 32 Cb -0.01 -4.38 0.10 0.00 0.04 0.00 0.00 34.50 30.26 2cue s PRO 32 CO -0.17 -2.71 0.01 -0.25 0.04 0.00 0.00 177.00 173.92 2cue n ASP 33 N 12.69 -2.78 -0.31 6.66 8.00 -1.26 -3.83 116.55 135.71 2cue n ASP 33 Ca 0.21 -0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.58 2cue n ASP 33 Cb 0.52 -0.78 0.36 0.00 -0.02 0.00 0.00 41.12 41.20 2cue n ASP 33 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2cue h VAL 34 N -2.30 0.78 0.00 2.53 3.04 -1.98 0.45 116.25 118.76 2cue h VAL 34 Ca -0.33 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 2cue h VAL 34 Cb 0.97 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.23 2cue h VAL 34 CO 0.22 0.13 -0.04 -0.26 -1.01 0.00 0.00 177.57 176.61 2cue h PHE 35 N 0.73 0.00 0.00 3.17 0.04 -2.00 0.06 116.94 118.94 2cue h PHE 35 Ca 0.51 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 61.07 2cue h PHE 35 Cb 0.83 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 2cue h PHE 35 CO -0.00 0.04 -1.23 0.00 -0.60 0.00 0.00 178.31 176.51 2cue n ALA 36 N -2.18 0.76 -0.05 2.45 0.00 0.14 -3.50 120.51 118.13 2cue n ALA 36 Ca -0.02 -0.51 0.03 0.00 0.00 0.00 0.00 53.44 52.94 2cue n ALA 36 Cb 0.17 -0.45 0.37 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.00 0.64 0.40 0.00 3.08 -1.00 -0.75 114.38 115.76 2cue h ARG 37 Ca -0.32 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 2cue h ARG 37 Cb 1.22 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2cue h ARG 37 CO -0.20 0.44 -0.19 0.93 -1.07 0.00 0.00 179.97 179.89 2cue h GLU 38 N 0.66 -0.51 -0.50 0.04 5.08 -1.16 0.11 114.58 118.29 2cue h GLU 38 Ca 0.18 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2cue h GLU 38 Cb -0.04 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2cue h GLU 38 CO -0.03 -0.21 0.26 0.00 -1.00 0.00 0.00 179.01 178.02 2cue h ARG 39 N -0.84 0.49 -0.59 2.33 3.08 -1.55 -2.17 114.38 115.13 2cue h ARG 39 Ca -0.05 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 2cue h ARG 39 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2cue h ARG 39 CO 0.09 0.32 0.08 1.25 -1.07 0.00 0.00 179.97 180.64 2cue h LEU 40 N 0.50 0.92 -1.41 3.04 5.85 -1.15 -2.64 115.31 120.42 2cue h LEU 40 Ca 0.22 -0.21 0.28 0.00 0.84 0.00 0.00 57.88 59.01 2cue h LEU 40 Cb 0.12 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 2cue h LEU 40 CO -0.15 0.93 0.69 0.00 -0.34 0.00 0.00 178.44 179.57 2cue h ALA 41 N 1.18 2.33 0.00 1.25 0.00 -0.09 0.87 119.26 124.79 2cue h ALA 41 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2cue h ALA 41 Cb 0.42 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cue h ALA 41 CO 0.01 -0.74 -0.75 0.00 0.00 0.00 0.00 179.25 177.77 2cue h ALA 42 N 1.61 0.52 0.23 0.00 0.00 -1.42 0.27 119.26 120.47 2cue h ALA 42 Ca 0.61 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.21 2cue h ALA 42 Cb 1.63 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.45 2cue h ALA 42 CO -0.29 0.00 -1.39 -0.22 0.00 0.00 0.00 179.25 177.36 2cue h LYS 43 N 0.00 0.49 -0.37 0.00 1.63 0.95 -3.33 116.57 115.93 2cue h LYS 43 Ca 0.00 -0.83 0.00 0.00 -0.85 0.00 0.00 60.65 58.97 2cue h LYS 43 Cb 0.79 0.31 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2cue h LYS 43 CO 0.00 1.40 0.00 0.44 -3.45 0.00 0.00 179.45 177.84 2cue n ILE 44 N -3.79 0.81 -3.66 2.00 -5.35 0.35 -4.98 119.36 104.74 2cue n ILE 44 Ca -0.17 -0.90 -0.21 0.00 -0.27 0.00 0.00 62.75 61.19 2cue n ILE 44 Cb 1.05 0.65 0.04 0.00 -1.74 0.00 0.00 39.64 39.65 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 0.84 -1.50 -4.15 7.28 8.00 -0.71 -4.83 116.55 121.48 2cue n ASP 45 Ca 0.14 -0.81 -0.17 0.00 0.71 0.00 0.00 54.79 54.66 2cue n ASP 45 Cb 0.46 -4.16 -0.12 0.00 -0.02 0.00 0.00 41.12 37.28 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 -6.60 2.27 0.31 0.64 1.43 0.85 -5.01 118.68 112.57 2cue s LEU 46 Ca 0.03 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 2cue s LEU 46 Cb -0.01 -0.46 -0.10 0.00 0.03 0.00 0.00 46.19 45.66 2cue s LEU 46 CO 0.80 -0.09 1.23 -2.16 0.23 0.00 0.00 176.35 176.36 2cue s PRO 47 N -1.69 4.46 0.54 1.29 0.04 -1.26 -4.24 135.00 134.14 2cue s PRO 47 Ca -0.03 2.06 0.20 0.00 0.04 0.00 0.00 61.00 63.26 2cue s PRO 47 Cb -0.10 -3.12 1.07 0.00 0.04 0.00 0.00 34.50 32.40 2cue s PRO 47 CO 0.02 -0.04 1.56 1.49 0.04 0.00 0.00 177.00 180.07 2cue h GLU 48 N 3.62 0.00 0.22 4.56 4.81 -1.93 0.42 114.58 126.28 2cue h GLU 48 Ca -0.48 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.43 2cue h GLU 48 Cb 1.22 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.63 2cue h GLU 48 CO 0.66 0.00 -1.45 0.00 -0.73 0.00 0.00 179.01 177.50 2cue h ALA 49 N 1.08 -0.07 0.30 2.92 0.00 -1.95 -3.29 119.26 118.25 2cue h ALA 49 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 2cue h ALA 49 Cb 0.83 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2cue h ALA 49 CO 0.00 0.79 -0.15 0.00 0.00 0.00 0.00 179.25 179.90 2cue h ARG 50 N 0.13 -0.39 -0.77 0.00 2.47 -0.51 -3.05 114.38 112.24 2cue h ARG 50 Ca -0.23 0.03 0.17 0.00 -1.26 0.00 0.00 59.98 58.69 2cue h ARG 50 Cb 2.12 0.09 -0.14 0.00 -1.65 0.00 0.00 29.97 30.39 2cue h ARG 50 CO 0.25 -0.17 -0.06 0.82 0.56 0.00 0.00 179.97 181.37 2cue h ILE 51 N -0.55 0.28 -0.55 2.04 2.04 -1.66 0.56 117.51 119.67 2cue h ILE 51 Ca -0.04 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 65.91 2cue h ILE 51 Cb 0.41 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 36.60 2cue h ILE 51 CO 0.07 0.01 -0.19 1.56 0.00 0.00 0.00 178.15 179.60 2cue h GLN 52 N 0.06 -0.05 0.76 2.37 4.20 -1.60 -0.86 115.11 119.98 2cue h GLN 52 Ca 0.41 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.08 2cue h GLN 52 Cb 0.70 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.50 2cue h GLN 52 CO -0.72 -0.04 -0.36 0.28 -0.67 0.00 0.00 178.83 177.32 2cue h VAL 53 N -0.06 0.00 -0.99 -0.54 2.07 -0.90 0.16 116.25 116.00 2cue h VAL 53 Ca 0.26 -0.02 0.36 0.00 0.82 0.00 0.00 66.70 68.12 2cue h VAL 53 Cb 0.45 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.05 2cue h VAL 53 CO -0.59 0.00 0.36 -0.25 0.02 0.00 0.00 177.57 177.11 2cue h TRP 54 N -1.04 0.52 -0.08 1.57 7.01 -1.00 0.55 115.95 123.49 2cue h TRP 54 Ca -0.10 0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.83 2cue h TRP 54 Cb 0.78 -0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2cue h TRP 54 CO 0.05 -0.43 -0.40 0.74 -2.79 0.00 0.00 178.44 175.61 2cue h PHE 55 N 0.03 0.55 -0.41 2.65 -1.00 -0.96 -2.55 116.94 115.25 2cue h PHE 55 Ca 0.75 -0.25 0.09 0.00 2.81 0.00 0.00 57.97 61.37 2cue h PHE 55 Cb 1.83 -0.08 -0.09 0.00 3.61 0.00 0.00 35.95 41.22 2cue h PHE 55 CO -0.18 1.00 -0.17 1.03 -1.61 0.00 0.00 178.31 178.38 2cue h SER 56 N -0.06 -0.60 0.69 2.17 0.87 0.30 0.20 113.55 117.12 2cue h SER 56 Ca -0.03 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2cue h SER 56 Cb 1.06 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 2cue h SER 56 CO 0.08 -0.21 -0.23 0.78 -0.53 0.00 0.00 176.83 176.72 2cue h ASN 57 N -0.09 0.00 -0.04 6.23 2.35 -1.25 -3.11 115.58 119.67 2cue h ASN 57 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2cue h ASN 57 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2cue h ASN 57 CO -0.47 0.23 -0.03 -0.09 -1.65 0.00 0.00 177.43 175.41 2cue h ARG 58 N 0.00 0.09 -0.80 0.81 9.65 -0.27 -2.85 114.38 121.00 2cue h ARG 58 Ca -0.00 -0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.02 2cue h ARG 58 Cb 0.64 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.10 2cue h ARG 58 CO 0.03 0.55 0.19 0.00 2.80 0.00 0.00 179.97 183.54 2cue h ARG 59 N -0.37 0.24 -0.65 0.20 3.08 -0.83 0.38 114.38 116.43 2cue h ARG 59 Ca 0.01 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2cue h ARG 59 Cb 0.53 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2cue h ARG 59 CO 0.01 0.16 0.20 0.00 -1.07 0.00 0.00 179.97 179.27 2cue h ALA 60 N 1.69 0.85 0.00 0.04 0.00 -1.60 0.19 119.26 120.42 2cue h ALA 60 Ca 0.47 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2cue h ALA 60 Cb 0.87 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2cue h ALA 60 CO -0.58 0.52 -0.34 -0.22 0.00 0.00 0.00 179.25 178.64 2cue h LYS 61 N 0.93 0.00 0.11 0.00 3.64 -0.48 -1.27 116.57 119.51 2cue h LYS 61 Ca 0.21 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 2cue h LYS 61 Cb 0.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2cue h LYS 61 CO -0.01 0.34 -0.86 2.35 -2.27 0.00 0.00 179.45 179.00 2cue h TRP 62 N 0.00 0.43 -0.38 1.91 7.01 0.08 -2.42 115.95 122.57 2cue h TRP 62 Ca -0.00 -0.31 -0.07 0.00 2.11 0.00 0.00 58.89 60.61 2cue h TRP 62 Cb 0.73 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 2cue h TRP 62 CO 0.00 1.33 -0.07 0.00 -2.79 0.00 0.00 178.44 176.92 2cue h ARG 63 N -0.47 0.64 -0.06 2.65 3.08 -0.61 0.15 114.38 119.76 2cue h ARG 63 Ca -0.17 -0.18 -0.25 0.00 0.07 0.00 0.00 59.98 59.46 2cue h ARG 63 Cb 1.57 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.56 2cue h ARG 63 CO 0.10 0.71 -0.93 0.07 -1.07 0.00 0.00 179.97 178.84 2cue h ARG 64 N 0.59 0.74 0.36 0.04 0.11 -1.35 -3.31 114.38 111.56 2cue h ARG 64 Ca 0.11 -0.71 -0.02 0.00 0.10 0.00 0.00 59.98 59.47 2cue h ARG 64 Cb 0.47 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2cue h ARG 64 CO 0.02 1.30 -0.17 0.93 0.10 0.00 0.00 179.97 182.15 2cue h GLU 65 N 0.46 -0.47 -1.40 0.08 5.08 -1.25 -2.88 114.58 114.19 2cue h GLU 65 Ca -0.10 0.03 0.42 0.00 -1.00 0.00 0.00 59.36 58.72 2cue h GLU 65 Cb 1.58 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.86 2cue h GLU 65 CO 0.19 -0.19 0.98 -1.91 -1.00 0.00 0.00 179.01 177.08 2cue n GLU 66 N -5.11 -0.01 -0.07 2.33 2.13 0.51 0.13 120.64 120.55 2cue n GLU 66 Ca -0.08 0.88 -0.12 0.00 0.66 0.00 0.00 57.16 58.50 2cue n GLU 66 Cb 0.25 -1.93 -0.10 0.00 0.27 0.00 0.00 31.44 29.93 2cue n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2cue h LYS 67 N 0.00 0.00 -0.76 5.31 3.11 -1.64 -3.33 116.57 119.26 2cue h LYS 67 Ca 0.72 0.00 0.14 0.00 -2.81 0.00 0.00 60.65 58.70 2cue h LYS 67 Cb 2.72 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.90 2cue h LYS 67 CO -0.11 0.79 0.50 -0.07 -2.81 0.00 0.00 179.45 177.75 2cue h LEU 68 N -1.00 0.42 -2.56 5.20 3.38 0.13 0.21 115.31 121.09 2cue h LEU 68 Ca -0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2cue h LEU 68 Cb 0.83 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2cue h LEU 68 CO -0.02 0.22 0.08 -0.09 0.09 0.00 0.00 178.44 178.72 2cue h ARG 69 N 0.45 0.00 0.00 1.13 2.43 -0.98 0.17 114.38 117.59 2cue h ARG 69 Ca 0.37 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 2cue h ARG 69 Cb 0.80 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2cue h ARG 69 CO -0.12 0.00 -0.24 -0.97 -1.51 0.00 0.00 179.97 177.13 2cue h ASN 70 N 0.00 0.00 0.04 -3.80 -0.73 -0.71 -3.18 115.58 107.21 2cue h ASN 70 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2cue h ASN 70 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.77 2cue h ASN 70 CO -0.00 0.05 0.00 0.00 -0.37 0.00 0.00 177.43 177.11 2cue n GLN 71 N -3.03 0.74 0.00 6.67 1.13 0.60 -2.31 117.38 121.17 2cue n GLN 71 Ca 0.03 0.01 0.07 0.00 -1.94 0.00 0.00 57.00 55.17 2cue n GLN 71 Cb 0.55 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.46 2cue n GLN 71 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2cue n ARG 72 N -1.03 0.95 -1.58 -1.09 5.12 -1.20 -5.02 116.66 112.81 2cue n ARG 72 Ca 0.18 -1.32 -0.48 0.00 -1.93 0.00 0.00 57.85 54.29 2cue n ARG 72 Cb 0.10 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.09 2cue n ARG 72 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2cue n ARG 73 N 0.77 1.21 -1.24 5.56 0.63 -0.98 -4.84 116.66 117.78 2cue n ARG 73 Ca 0.08 0.43 -0.38 0.00 -0.92 0.00 0.00 57.85 57.07 2cue n ARG 73 Cb 0.35 -1.94 0.03 0.00 0.45 0.00 0.00 32.46 31.35 2cue n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cue n GLN 74 N 1.75 0.15 -3.84 -0.14 0.00 -1.26 -5.01 117.38 109.03 2cue n GLN 74 Ca 0.15 0.06 -0.12 0.00 0.00 0.00 0.00 57.00 57.09 2cue n GLN 74 Cb 0.25 -1.30 -0.10 0.00 0.00 0.00 0.00 30.24 29.09 2cue n GLN 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2cue s SER 75 N -1.14 -0.05 1.15 2.61 0.01 -1.26 -5.16 113.70 109.85 2cue s SER 75 Ca 0.58 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.63 2cue s SER 75 Cb -0.40 0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.28 2cue s SER 75 CO 0.65 -0.33 0.46 0.61 0.41 0.00 0.00 173.24 175.04 2cue n GLY 76 N 1.70 -2.30 0.00 3.44 0.00 -1.26 -4.85 105.19 101.92 2cue n GLY 76 Ca -0.21 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 44.91 2cue n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cue n PRO 77 N -3.38 0.02 -1.54 1.61 -0.04 -1.26 -4.67 135.00 125.74 2cue n PRO 77 Ca 0.02 0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 2cue n PRO 77 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 2cue n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cue n SER 78 N -1.48 1.04 -4.31 3.54 7.64 -1.26 -4.84 113.62 113.95 2cue n SER 78 Ca 0.04 -1.33 -0.17 0.00 1.01 0.00 0.00 58.87 58.41 2cue n SER 78 Cb 0.16 -1.41 -0.10 0.00 -1.01 0.00 0.00 64.21 61.85 2cue n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cue s SER 79 N 8.34 1.38 0.00 6.43 0.01 -1.26 -5.18 113.70 123.42 2cue s SER 79 Ca 1.00 -1.40 0.04 0.00 1.31 0.00 0.00 55.95 56.90 2cue s SER 79 Cb -0.28 0.15 0.24 0.00 0.21 0.00 0.00 66.02 66.34 2cue s SER 79 CO 0.19 -0.73 0.72 0.61 0.41 0.00 0.00 173.24 174.44