#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 6.30 0.04 1.61 0.01 -1.26 -4.87 113.70 115.54 2cue s SER 2 Ca 0.00 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.47 2cue s SER 2 Cb 0.00 -2.63 -0.16 0.00 0.21 0.00 0.00 66.02 63.45 2cue s SER 2 CO 0.00 -0.84 0.76 -1.20 0.41 0.00 0.00 173.24 172.37 2cue n SER 3 N -0.02 -0.27 -2.55 2.44 7.64 -1.26 -4.89 113.62 114.71 2cue n SER 3 Ca 0.05 0.95 -0.17 0.00 1.01 0.00 0.00 58.87 60.70 2cue n SER 3 Cb 0.45 -0.76 0.02 0.00 -1.01 0.00 0.00 64.21 62.91 2cue n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 4 N 1.34 3.83 3.04 0.23 0.00 -1.26 -5.04 105.19 107.33 2cue n GLY 4 Ca 0.16 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 2cue n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cue s SER 5 N -3.38 2.45 0.13 1.61 1.04 -1.26 -5.13 113.70 109.17 2cue s SER 5 Ca 0.38 -0.43 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 2cue s SER 5 Cb 0.42 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 2cue s SER 5 CO -0.07 -0.00 0.18 -0.55 0.98 0.00 0.00 173.24 173.78 2cue s SER 6 N 1.09 0.17 0.00 7.02 0.15 -1.26 -5.17 113.70 115.70 2cue s SER 6 Ca -0.04 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2cue s SER 6 Cb -0.14 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2cue s SER 6 CO -0.03 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2cue n GLY 7 N -0.13 3.59 0.69 9.45 0.00 -1.26 -5.07 105.19 112.46 2cue n GLY 7 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2cue n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cue n GLN 8 N -1.23 0.00 -4.33 1.61 1.13 -1.26 -5.08 117.38 108.21 2cue n GLN 8 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 2cue n GLN 8 Cb 0.00 -0.58 -0.11 0.00 0.11 0.00 0.00 30.24 29.66 2cue n GLN 8 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2cue s ARG 9 N -1.84 1.97 -0.78 -1.09 1.70 -1.26 -5.08 118.95 112.56 2cue s ARG 9 Ca 0.00 -1.08 -0.01 0.00 -0.47 0.00 0.00 55.73 54.17 2cue s ARG 9 Cb 0.00 -2.21 0.19 0.00 -0.57 0.00 0.00 34.95 32.37 2cue s ARG 9 CO 0.00 0.50 0.63 -0.80 -1.08 0.00 0.00 175.30 174.55 2cue s ASN 10 N -2.04 5.55 -0.06 -2.89 0.01 -1.26 -5.03 114.94 109.22 2cue s ASN 10 Ca 0.19 -3.52 0.01 0.00 -0.71 0.00 0.00 52.86 48.83 2cue s ASN 10 Cb -0.11 -1.84 0.02 0.00 0.41 0.00 0.00 41.25 39.73 2cue s ASN 10 CO 0.11 -0.21 -0.06 -0.13 -1.51 0.00 0.00 177.10 175.29 2cue s ARG 11 N -1.03 1.10 0.28 -0.60 3.00 -1.26 -5.11 118.95 115.32 2cue s ARG 11 Ca 0.24 -0.16 -0.19 0.00 0.00 0.00 0.00 55.73 55.61 2cue s ARG 11 Cb -0.11 -1.10 -0.13 0.00 0.00 0.00 0.00 34.95 33.61 2cue s ARG 11 CO -0.11 -0.12 0.19 -2.37 0.00 0.00 0.00 175.30 172.89 2cue n THR 12 N 4.31 0.90 -4.08 0.02 5.66 -1.26 -4.98 114.28 114.85 2cue n THR 12 Ca -0.20 -0.41 -0.15 0.00 -3.05 0.00 0.00 64.05 60.24 2cue n THR 12 Cb 0.51 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.27 2cue n THR 12 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2cue n SER 13 N 1.83 2.36 -4.20 1.09 3.41 -1.26 -5.10 113.62 111.75 2cue n SER 13 Ca 0.11 -2.08 -0.35 0.00 -0.26 0.00 0.00 58.87 56.29 2cue n SER 13 Cb 0.29 0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 2cue n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2cue n PHE 14 N -0.89 -3.43 -4.27 7.33 3.72 -1.26 -5.01 117.46 113.64 2cue n PHE 14 Ca -0.07 0.09 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 2cue n PHE 14 Cb 0.33 -1.60 -0.10 0.00 -0.94 0.00 0.00 39.48 37.17 2cue n PHE 14 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2cue s THR 15 N -2.19 1.28 0.65 4.37 -4.23 -1.26 -4.98 115.64 109.28 2cue s THR 15 Ca 0.48 -2.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.12 2cue s THR 15 Cb -0.19 -1.88 0.24 0.00 1.34 0.00 0.00 72.50 72.00 2cue s THR 15 CO 0.76 -0.71 1.64 -0.61 -0.54 0.00 0.00 174.62 175.16 2cue h GLN 16 N 2.75 0.00 0.05 3.99 -0.00 -1.98 1.04 115.11 120.96 2cue h GLN 16 Ca -0.37 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.04 2cue h GLN 16 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.66 2cue h GLN 16 CO 0.63 0.00 -1.15 0.93 0.00 0.00 0.00 178.83 179.24 2cue h GLU 17 N 0.00 0.11 0.06 1.69 5.08 -2.00 -3.15 114.58 116.36 2cue h GLU 17 Ca 0.05 -0.18 -0.31 0.00 -1.00 0.00 0.00 59.36 57.92 2cue h GLU 17 Cb 1.20 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2cue h GLU 17 CO -0.00 1.06 -1.74 1.96 -1.00 0.00 0.00 179.01 179.29 2cue h GLN 18 N 0.03 0.12 -0.03 2.33 4.20 0.62 -3.34 115.11 119.04 2cue h GLN 18 Ca -0.08 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 2cue h GLN 18 Cb 1.86 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.71 2cue h GLN 18 CO 0.15 0.83 -0.17 0.82 -0.67 0.00 0.00 178.83 179.79 2cue h ILE 19 N 0.03 1.14 -0.30 2.54 2.04 -0.71 -0.00 117.51 122.26 2cue h ILE 19 Ca -0.31 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 2cue h ILE 19 Cb 2.01 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 2cue h ILE 19 CO 0.10 0.19 -0.17 1.05 0.00 0.00 0.00 178.15 179.32 2cue h GLU 20 N 0.05 0.64 -0.04 2.37 4.11 -1.67 -1.06 114.58 118.98 2cue h GLU 20 Ca 0.01 -0.29 -0.18 0.00 0.07 0.00 0.00 59.36 58.97 2cue h GLU 20 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2cue h GLU 20 CO 0.02 0.88 -0.77 0.00 0.07 0.00 0.00 179.01 179.22 2cue h ALA 21 N 0.74 0.63 -0.01 1.06 0.00 -1.60 -2.47 119.26 117.61 2cue h ALA 21 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2cue h ALA 21 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2cue h ALA 21 CO 0.05 0.82 -0.59 -0.07 0.00 0.00 0.00 179.25 179.46 2cue h LEU 22 N 0.17 0.02 0.04 0.00 3.38 -0.96 -2.38 115.31 115.58 2cue h LEU 22 Ca -0.03 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 2cue h LEU 22 Cb 1.35 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 42.11 2cue h LEU 22 CO 0.12 0.60 -1.15 -0.33 0.09 0.00 0.00 178.44 177.77 2cue h GLU 23 N 0.01 0.55 -0.22 1.13 4.39 -1.14 -2.98 114.58 116.32 2cue h GLU 23 Ca -0.01 -0.70 -0.03 0.00 0.34 0.00 0.00 59.36 58.96 2cue h GLU 23 Cb 1.04 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2cue h GLU 23 CO 0.08 1.30 0.01 -0.22 -1.16 0.00 0.00 179.01 179.02 2cue h LYS 24 N 0.26 0.38 -0.62 2.33 3.64 -1.40 -2.45 116.57 118.72 2cue h LYS 24 Ca -0.15 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2cue h LYS 24 Cb 1.82 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.57 2cue h LYS 24 CO 0.21 0.56 0.40 1.49 -2.27 0.00 0.00 179.45 179.84 2cue h GLU 25 N 0.16 0.82 0.06 1.90 4.81 -1.52 -2.74 114.58 118.06 2cue h GLU 25 Ca 0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2cue h GLU 25 Cb 0.38 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2cue h GLU 25 CO 0.01 0.55 -0.03 0.35 -0.73 0.00 0.00 179.01 179.16 2cue h PHE 26 N 0.84 -0.07 -0.98 0.92 3.04 -1.35 -0.83 116.94 118.51 2cue h PHE 26 Ca 0.23 -0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.43 2cue h PHE 26 Cb -0.08 0.02 -0.13 0.00 2.56 0.00 0.00 35.95 38.32 2cue h PHE 26 CO 0.00 0.14 0.55 0.93 -2.02 0.00 0.00 178.31 177.91 2cue h GLU 27 N -0.27 0.50 -0.03 1.11 4.39 -1.14 0.12 114.58 119.26 2cue h GLU 27 Ca -0.01 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 2cue h GLU 27 Cb 0.24 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2cue h GLU 27 CO 0.01 0.33 -0.99 -0.09 -1.16 0.00 0.00 179.01 177.11 2cue h ARG 28 N 0.51 0.69 -2.48 2.33 9.65 -1.39 -3.45 114.38 120.24 2cue h ARG 28 Ca 0.64 -0.70 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 2cue h ARG 28 Cb 1.26 0.19 -0.26 0.00 -1.39 0.00 0.00 29.97 29.77 2cue h ARG 28 CO -0.51 1.29 -0.32 -0.08 2.80 0.00 0.00 179.97 183.15 2cue s THR 29 N -3.39 -0.53 -0.48 0.20 -1.32 0.41 -5.01 115.64 105.52 2cue s THR 29 Ca -0.09 0.13 0.25 0.00 -1.21 0.00 0.00 61.69 60.77 2cue s THR 29 Cb 0.07 -0.69 0.26 0.00 -1.51 0.00 0.00 72.50 70.63 2cue s THR 29 CO 0.91 0.06 1.74 0.45 -2.21 0.00 0.00 174.62 175.57 2cue h HIS 30 N 7.90 0.00 -2.61 9.09 3.86 -1.78 -3.34 115.15 128.27 2cue h HIS 30 Ca -0.21 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.40 2cue h HIS 30 Cb 1.13 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.20 2cue h HIS 30 CO 0.26 0.00 -0.84 0.71 0.86 0.00 0.00 177.93 178.92 2cue s TYR 31 N -3.30 1.88 -0.53 2.45 2.02 -1.26 -4.97 117.35 113.64 2cue s TYR 31 Ca 0.05 -2.63 -0.27 0.00 -0.37 0.00 0.00 57.07 53.85 2cue s TYR 31 Cb 0.10 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2cue s TYR 31 CO 0.44 -0.74 1.82 -1.25 -1.57 0.00 0.00 175.55 174.25 2cue s PRO 32 N -0.38 2.86 1.23 -1.71 0.04 -1.26 -4.98 135.00 130.80 2cue s PRO 32 Ca 0.30 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 2cue s PRO 32 Cb -0.00 -4.32 0.29 0.00 0.04 0.00 0.00 34.50 30.51 2cue s PRO 32 CO -0.18 -2.45 0.65 -0.25 0.04 0.00 0.00 177.00 174.81 2cue n ASP 33 N 11.92 -3.66 -0.30 6.66 8.00 -1.26 -3.91 116.55 134.01 2cue n ASP 33 Ca 0.21 -0.66 0.08 0.00 0.71 0.00 0.00 54.79 55.13 2cue n ASP 33 Cb 0.51 -0.87 0.23 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.25 0.71 0.00 2.53 3.04 -1.98 0.51 116.25 117.82 2cue h VAL 34 Ca -0.30 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2cue h VAL 34 Cb 1.00 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2cue h VAL 34 CO 0.18 0.11 0.00 -0.26 -1.01 0.00 0.00 177.57 176.59 2cue h PHE 35 N 0.62 0.00 0.01 3.17 0.04 -1.99 0.23 116.94 119.02 2cue h PHE 35 Ca 0.47 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.89 2cue h PHE 35 Cb 0.68 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.79 2cue h PHE 35 CO -0.09 0.00 -1.92 0.00 -0.60 0.00 0.00 178.31 175.70 2cue n ALA 36 N -2.08 1.00 0.10 2.45 0.00 0.16 -3.66 120.51 118.49 2cue n ALA 36 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.64 2cue n ALA 36 Cb 0.09 -0.27 0.35 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.83 0.26 0.20 0.00 3.08 -0.62 -0.54 114.38 115.94 2cue h ARG 37 Ca -0.51 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.46 2cue h ARG 37 Cb 1.54 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.56 2cue h ARG 37 CO -0.26 0.44 -0.09 0.93 -1.07 0.00 0.00 179.97 179.91 2cue h GLU 38 N 0.25 -0.25 -0.34 0.04 5.08 -0.74 0.14 114.58 118.76 2cue h GLU 38 Ca 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2cue h GLU 38 Cb 0.45 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2cue h GLU 38 CO 0.03 0.12 0.18 0.00 -1.00 0.00 0.00 179.01 178.34 2cue h ARG 39 N -0.71 0.48 -0.54 2.33 3.08 -1.61 -2.91 114.38 114.50 2cue h ARG 39 Ca -0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 2cue h ARG 39 Cb 0.49 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2cue h ARG 39 CO 0.04 0.41 0.09 1.25 -1.07 0.00 0.00 179.97 180.69 2cue h LEU 40 N 0.42 0.85 -1.61 3.04 5.85 -1.16 -2.64 115.31 120.06 2cue h LEU 40 Ca 0.12 -0.26 0.41 0.00 0.84 0.00 0.00 57.88 58.99 2cue h LEU 40 Cb 0.07 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.78 2cue h LEU 40 CO -0.02 0.89 0.92 0.00 -0.34 0.00 0.00 178.44 179.89 2cue h ALA 41 N 0.99 2.91 0.00 1.25 0.00 -0.50 1.53 119.26 125.45 2cue h ALA 41 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2cue h ALA 41 Cb 0.40 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2cue h ALA 41 CO 0.01 -1.44 -1.18 0.00 0.00 0.00 0.00 179.25 176.64 2cue n ALA 42 N -2.63 2.63 0.18 0.00 0.00 -1.05 0.62 120.51 120.26 2cue n ALA 42 Ca 0.34 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.54 2cue n ALA 42 Cb 1.40 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 20.05 2cue n ALA 42 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2cue h LYS 43 N 0.00 0.00 0.00 0.00 3.64 0.24 -3.29 116.57 117.17 2cue h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cue h LYS 43 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2cue h LYS 43 CO 0.00 0.38 0.00 0.44 -2.27 0.00 0.00 179.45 178.00 2cue n ILE 44 N -3.36 0.04 -3.23 2.00 -5.35 -0.25 -5.02 119.36 104.20 2cue n ILE 44 Ca 0.01 -0.38 -0.15 0.00 -0.27 0.00 0.00 62.75 61.95 2cue n ILE 44 Cb 0.58 1.24 0.07 0.00 -1.74 0.00 0.00 39.64 39.79 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 -0.02 -2.79 -4.23 7.28 8.00 -0.32 -4.82 116.55 119.66 2cue n ASP 45 Ca 0.00 -0.50 -0.23 0.00 0.71 0.00 0.00 54.79 54.77 2cue n ASP 45 Cb 0.08 -4.30 -0.13 0.00 -0.02 0.00 0.00 41.12 36.75 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 -5.72 2.22 0.20 0.64 1.43 0.20 -5.00 118.68 112.66 2cue s LEU 46 Ca 0.10 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2cue s LEU 46 Cb -0.04 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.25 2cue s LEU 46 CO 0.60 0.09 1.30 -2.16 0.23 0.00 0.00 176.35 176.41 2cue s PRO 47 N -1.44 4.40 0.64 1.29 0.04 -1.26 -4.27 135.00 134.40 2cue s PRO 47 Ca 0.05 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.33 2cue s PRO 47 Cb -0.09 -3.19 0.94 0.00 0.04 0.00 0.00 34.50 32.20 2cue s PRO 47 CO 0.02 -0.23 1.50 1.49 0.04 0.00 0.00 177.00 179.83 2cue h GLU 48 N 5.25 0.00 0.02 4.56 4.81 -1.93 0.91 114.58 128.21 2cue h GLU 48 Ca -0.45 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.52 2cue h GLU 48 Cb 1.21 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.61 2cue h GLU 48 CO 0.76 0.00 -1.04 0.00 -0.73 0.00 0.00 179.01 178.00 2cue h ALA 49 N 0.77 0.20 0.58 2.92 0.00 -1.95 -3.27 119.26 118.51 2cue h ALA 49 Ca 0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2cue h ALA 49 Cb 1.59 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2cue h ALA 49 CO -0.00 0.75 -0.28 0.00 0.00 0.00 0.00 179.25 179.72 2cue h ARG 50 N 0.31 -0.75 -0.94 0.00 2.47 0.50 -3.07 114.38 112.91 2cue h ARG 50 Ca -0.12 0.05 0.26 0.00 -1.26 0.00 0.00 59.98 58.91 2cue h ARG 50 Cb 1.69 0.17 -0.17 0.00 -1.65 0.00 0.00 29.97 30.02 2cue h ARG 50 CO 0.19 -0.44 0.11 0.82 0.56 0.00 0.00 179.97 181.21 2cue h ILE 51 N -0.95 0.12 -0.83 2.04 2.04 -1.65 0.65 117.51 118.94 2cue h ILE 51 Ca -0.08 -0.02 0.17 0.00 1.00 0.00 0.00 64.86 65.93 2cue h ILE 51 Cb 0.65 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.67 2cue h ILE 51 CO 0.13 0.01 0.36 1.56 0.00 0.00 0.00 178.15 180.21 2cue h GLN 52 N 0.06 0.46 0.19 2.37 4.20 -1.58 -1.06 115.11 119.74 2cue h GLN 52 Ca 0.59 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 2cue h GLN 52 Cb 1.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2cue h GLN 52 CO -0.82 0.30 -0.09 0.28 -0.67 0.00 0.00 178.83 177.83 2cue h VAL 53 N 0.47 0.00 -1.78 -0.54 2.07 0.26 -1.00 116.25 115.73 2cue h VAL 53 Ca 0.48 -0.25 0.53 0.00 0.82 0.00 0.00 66.70 68.28 2cue h VAL 53 Cb 0.78 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 2cue h VAL 53 CO -0.44 0.00 1.26 1.87 0.02 0.00 0.00 177.57 180.28 2cue n TRP 54 N -3.36 0.12 0.07 1.57 -0.00 -0.74 0.23 117.44 115.33 2cue n TRP 54 Ca -0.03 0.12 -0.20 0.00 -0.00 0.00 0.00 57.50 57.39 2cue n TRP 54 Cb 0.10 -0.58 -0.15 0.00 -0.00 0.00 0.00 31.31 30.68 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 0.60 -0.69 5.87 -1.00 -1.20 -3.18 116.94 117.34 2cue h PHE 55 Ca 0.88 -0.44 0.06 0.00 2.81 0.00 0.00 57.97 61.28 2cue h PHE 55 Cb 3.43 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 42.91 2cue h PHE 55 CO -0.00 1.56 0.39 1.03 -1.61 0.00 0.00 178.31 179.68 2cue h SER 56 N 0.09 0.59 -0.22 2.17 0.87 0.42 -1.61 113.55 115.86 2cue h SER 56 Ca -0.31 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.14 2cue h SER 56 Cb 2.07 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 2cue h SER 56 CO 0.17 0.38 -0.34 0.78 -0.53 0.00 0.00 176.83 177.29 2cue h ASN 57 N 0.73 0.78 0.34 6.23 2.35 -1.43 -3.24 115.58 121.34 2cue h ASN 57 Ca 0.31 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2cue h ASN 57 Cb 0.18 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2cue h ASN 57 CO -0.18 1.05 -0.25 0.03 -1.65 0.00 0.00 177.43 176.43 2cue h ARG 58 N 0.62 -0.57 -0.95 0.81 2.47 -1.33 -2.55 114.38 112.88 2cue h ARG 58 Ca 0.06 0.04 0.29 0.00 -1.26 0.00 0.00 59.98 59.11 2cue h ARG 58 Cb 0.88 0.13 -0.18 0.00 -1.65 0.00 0.00 29.97 29.15 2cue h ARG 58 CO 0.08 -0.38 0.11 0.54 0.56 0.00 0.00 179.97 180.88 2cue n ARG 59 N -5.38 -0.07 -0.08 0.04 1.74 -0.68 0.21 116.66 112.44 2cue n ARG 59 Ca -0.10 1.41 -0.05 0.00 -0.77 0.00 0.00 57.85 58.34 2cue n ARG 59 Cb 0.29 -2.29 0.16 0.00 -1.02 0.00 0.00 32.46 29.60 2cue n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cue h ALA 60 N 1.90 1.08 0.00 7.54 0.00 -1.55 0.20 119.26 128.43 2cue h ALA 60 Ca 0.62 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2cue h ALA 60 Cb 1.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2cue h ALA 60 CO -0.87 0.57 -0.19 -0.22 0.00 0.00 0.00 179.25 178.55 2cue h LYS 61 N 0.67 0.00 0.05 0.00 3.64 0.29 -2.25 116.57 118.96 2cue h LYS 61 Ca 0.12 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.27 2cue h LYS 61 Cb 0.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2cue h LYS 61 CO 0.03 0.19 -1.25 2.35 -2.27 0.00 0.00 179.45 178.50 2cue h TRP 62 N 0.00 0.18 0.00 1.91 7.01 -0.01 -2.80 115.95 122.24 2cue h TRP 62 Ca -0.00 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 60.83 2cue h TRP 62 Cb 0.87 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 2cue h TRP 62 CO 0.00 1.49 -0.18 0.00 -2.79 0.00 0.00 178.44 176.96 2cue h ARG 63 N -0.68 0.00 0.16 2.65 3.08 -0.68 0.14 114.38 119.05 2cue h ARG 63 Ca -0.31 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.42 2cue h ARG 63 Cb 1.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2cue h ARG 63 CO -0.08 0.18 -1.59 0.07 -1.07 0.00 0.00 179.97 177.47 2cue h ARG 64 N 0.00 0.33 0.06 0.04 0.11 -1.55 -3.36 114.38 110.01 2cue h ARG 64 Ca -0.00 -0.57 -0.00 0.00 0.10 0.00 0.00 59.98 59.51 2cue h ARG 64 Cb 0.40 0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2cue h ARG 64 CO 0.02 1.22 -0.03 0.93 0.10 0.00 0.00 179.97 182.22 2cue h GLU 65 N 0.09 -0.07 -1.93 0.08 5.08 -1.20 -3.01 114.58 113.62 2cue h GLU 65 Ca -0.28 0.00 0.56 0.00 -1.00 0.00 0.00 59.36 58.65 2cue h GLU 65 Cb 2.06 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.25 2cue h GLU 65 CO 0.18 0.52 1.40 -1.91 -1.00 0.00 0.00 179.01 178.20 2cue n GLU 66 N -4.82 0.00 -0.07 2.33 0.00 0.47 0.21 120.64 118.77 2cue n GLU 66 Ca -0.08 1.06 -0.11 0.00 0.00 0.00 0.00 57.16 58.03 2cue n GLU 66 Cb 0.31 -2.46 -0.08 0.00 0.00 0.00 0.00 31.44 29.21 2cue n GLU 66 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2cue h LYS 67 N 0.00 0.00 -0.95 5.31 3.64 -1.70 -3.35 116.57 119.52 2cue h LYS 67 Ca 0.92 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 60.43 2cue h LYS 67 Cb 3.71 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 35.44 2cue h LYS 67 CO -0.01 0.62 0.58 -0.07 -2.27 0.00 0.00 179.45 178.30 2cue h LEU 68 N -1.00 0.82 -0.52 5.20 3.38 -0.09 -1.90 115.31 121.20 2cue h LEU 68 Ca -0.07 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2cue h LEU 68 Cb 0.74 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 2cue h LEU 68 CO -0.04 0.41 -0.23 -0.09 0.09 0.00 0.00 178.44 178.58 2cue h ARG 69 N 0.89 -0.10 -0.59 1.13 2.43 -0.80 -0.38 114.38 116.94 2cue h ARG 69 Ca 0.49 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.61 2cue h ARG 69 Cb 0.54 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2cue h ARG 69 CO -0.29 -0.07 0.15 -0.97 -1.51 0.00 0.00 179.97 177.28 2cue h ASN 70 N -0.11 0.90 -0.83 -3.80 -1.24 -1.49 0.29 115.58 109.30 2cue h ASN 70 Ca 0.24 -0.23 0.19 0.00 0.71 0.00 0.00 56.30 57.20 2cue h ASN 70 Cb 0.48 -0.24 -0.11 0.00 0.73 0.00 0.00 38.32 39.18 2cue h ASN 70 CO -0.59 0.90 0.32 1.56 -1.29 0.00 0.00 177.43 178.33 2cue h GLN 71 N 0.86 0.37 0.03 6.67 4.20 -0.56 -1.17 115.11 125.50 2cue h GLN 71 Ca 0.19 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.59 2cue h GLN 71 Cb 0.35 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2cue h GLN 71 CO 0.00 0.25 -1.58 -0.09 -0.67 0.00 0.00 178.83 176.73 2cue h ARG 72 N 0.38 0.06 -6.12 1.46 9.65 -1.14 -3.48 114.38 115.19 2cue h ARG 72 Ca 0.49 -0.10 -0.65 0.00 -1.10 0.00 0.00 59.98 58.62 2cue h ARG 72 Cb 0.87 0.04 0.12 0.00 -1.39 0.00 0.00 29.97 29.60 2cue h ARG 72 CO -0.50 0.74 -0.41 -2.13 2.80 0.00 0.00 179.97 180.47 2cue n ARG 73 N -3.20 0.33 -0.33 0.20 0.63 0.99 -4.76 116.66 110.52 2cue n ARG 73 Ca -0.15 0.12 0.20 0.00 -0.92 0.00 0.00 57.85 57.09 2cue n ARG 73 Cb 1.03 -1.21 0.38 0.00 0.45 0.00 0.00 32.46 33.11 2cue n ARG 73 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2cue h GLN 74 N 1.15 0.03 -6.17 -0.14 5.75 -1.89 -3.39 115.11 110.45 2cue h GLN 74 Ca -0.32 -0.00 -0.69 0.00 -0.15 0.00 0.00 58.65 57.49 2cue h GLN 74 Cb 1.42 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.97 2cue h GLN 74 CO 0.57 0.02 1.02 0.43 -2.65 0.00 0.00 178.83 178.22 2cue n SER 75 N -5.39 2.71 0.00 -0.69 7.64 -1.26 -3.76 113.62 112.88 2cue n SER 75 Ca 0.28 0.98 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2cue n SER 75 Cb 0.91 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2cue n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 76 N 4.52 1.37 3.56 0.23 0.00 -1.26 -4.87 105.19 108.73 2cue n GLY 76 Ca 0.27 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 2.82 -0.86 1.61 0.04 -1.25 -4.94 135.00 132.43 2cue s PRO 77 Ca 0.00 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 61.62 2cue s PRO 77 Cb 0.00 -4.33 0.09 0.00 0.04 0.00 0.00 34.50 30.30 2cue s PRO 77 CO 0.00 -2.49 1.17 0.45 0.04 0.00 0.00 177.00 176.17 2cue s SER 78 N 7.46 6.44 -0.23 6.66 0.15 -1.26 -4.95 113.70 127.98 2cue s SER 78 Ca 0.69 -1.49 -0.19 0.00 0.70 0.00 0.00 55.95 55.66 2cue s SER 78 Cb -0.15 -2.46 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 2cue s SER 78 CO 0.24 -1.33 0.59 -0.44 1.20 0.00 0.00 173.24 173.50 2cue s SER 79 N 3.96 -0.66 0.00 5.45 0.01 -1.26 -5.27 113.70 115.93 2cue s SER 79 Ca 0.33 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2cue s SER 79 Cb -0.07 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.36 2cue s SER 79 CO -0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.03