#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 1.76 0.49 1.61 1.04 -1.26 -5.16 113.70 112.18 2cue s SER 2 Ca 0.00 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 55.69 2cue s SER 2 Cb 0.00 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.11 2cue s SER 2 CO 0.00 -0.20 0.50 -0.94 0.98 0.00 0.00 173.24 173.58 2cue s SER 3 N -2.48 4.99 0.00 7.02 1.04 -1.26 -5.12 113.70 117.89 2cue s SER 3 Ca 0.08 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2cue s SER 3 Cb -0.04 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2cue s SER 3 CO 0.02 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2cue n GLY 4 N -1.80 3.00 3.29 7.32 0.00 -1.26 -5.17 105.19 110.56 2cue n GLY 4 Ca 0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.23 -0.14 1.61 1.04 -1.26 -5.16 113.70 109.56 2cue s SER 5 Ca 0.00 0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 2cue s SER 5 Cb 0.00 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.56 2cue s SER 5 CO 0.00 -0.58 0.31 -0.94 0.98 0.00 0.00 173.24 173.01 2cue s SER 6 N -1.76 0.02 0.00 7.02 1.04 -1.26 -5.12 113.70 113.64 2cue s SER 6 Ca -0.08 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2cue s SER 6 Cb -0.02 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2cue s SER 6 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2cue n GLY 7 N 5.02 3.58 3.83 7.32 0.00 -1.26 -5.14 105.19 118.54 2cue n GLY 7 Ca -0.12 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.01 4.17 0.21 1.61 2.00 -1.26 -5.07 119.66 119.31 2cue s GLN 8 Ca 0.00 0.89 -0.22 0.00 -2.00 0.00 0.00 55.36 54.03 2cue s GLN 8 Cb 0.00 -2.52 0.05 0.00 0.80 0.00 0.00 33.01 31.34 2cue s GLN 8 CO 0.00 0.18 0.64 -0.98 -0.50 0.00 0.00 175.29 174.64 2cue s ARG 9 N -2.69 1.48 0.18 1.67 1.04 -1.26 -5.19 118.95 114.18 2cue s ARG 9 Ca 0.53 -0.67 -0.17 0.00 -1.04 0.00 0.00 55.73 54.38 2cue s ARG 9 Cb -0.12 0.60 0.03 0.00 -2.04 0.00 0.00 34.95 33.41 2cue s ARG 9 CO 0.18 -0.66 0.49 0.54 -0.04 0.00 0.00 175.30 175.81 2cue s ASN 10 N -2.82 -0.23 -0.10 -2.89 4.22 -1.26 -5.17 114.94 106.70 2cue s ASN 10 Ca 0.05 -0.50 -0.04 0.00 -2.14 0.00 0.00 52.86 50.23 2cue s ASN 10 Cb -0.03 0.55 0.05 0.00 1.28 0.00 0.00 41.25 43.11 2cue s ASN 10 CO -0.05 -1.01 0.22 -0.13 -2.04 0.00 0.00 177.10 174.08 2cue s ARG 11 N -3.87 0.13 -0.86 3.55 1.81 -1.26 -5.10 118.95 113.35 2cue s ARG 11 Ca 0.09 0.59 -0.19 0.00 -1.72 0.00 0.00 55.73 54.50 2cue s ARG 11 Cb -0.00 -0.14 0.13 0.00 -0.45 0.00 0.00 34.95 34.49 2cue s ARG 11 CO -0.04 -0.24 1.04 0.95 -0.68 0.00 0.00 175.30 176.34 2cue s THR 12 N 1.90 4.74 -0.22 0.02 -4.23 -1.26 -4.81 115.64 111.79 2cue s THR 12 Ca -0.03 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 58.88 2cue s THR 12 Cb -0.12 -4.72 -0.18 0.00 1.34 0.00 0.00 72.50 68.82 2cue s THR 12 CO -0.07 -1.44 0.10 -1.20 -0.54 0.00 0.00 174.62 171.47 2cue n SER 13 N 6.51 1.91 -4.91 3.99 7.64 -1.26 -4.97 113.62 122.53 2cue n SER 13 Ca 0.17 0.37 -0.24 0.00 1.01 0.00 0.00 58.87 60.18 2cue n SER 13 Cb 0.48 -0.91 0.06 0.00 -1.01 0.00 0.00 64.21 62.83 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 -2.42 2.76 0.12 1.43 0.40 -1.26 -5.11 117.98 113.91 2cue s PHE 14 Ca -0.31 0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.33 2cue s PHE 14 Cb 0.08 -3.04 -0.04 0.00 0.51 0.00 0.00 43.02 40.53 2cue s PHE 14 CO 0.59 -1.27 -0.16 0.95 0.70 0.00 0.00 175.22 176.03 2cue s THR 15 N -3.08 2.96 0.34 0.64 -4.23 -1.26 -5.00 115.64 106.03 2cue s THR 15 Ca 0.60 -1.49 0.12 0.00 -1.18 0.00 0.00 61.69 59.74 2cue s THR 15 Cb -0.10 -2.38 0.34 0.00 1.34 0.00 0.00 72.50 71.70 2cue s THR 15 CO 0.43 0.07 1.75 -0.61 -0.54 0.00 0.00 174.62 175.71 2cue h GLN 16 N 3.61 0.52 -0.10 3.99 -0.00 -1.99 0.68 115.11 121.81 2cue h GLN 16 Ca -0.49 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.14 2cue h GLN 16 Cb 1.17 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 28.53 2cue h GLN 16 CO 0.48 0.34 0.07 0.93 0.00 0.00 0.00 178.83 180.65 2cue h GLU 17 N 0.53 0.09 0.10 1.69 5.08 -2.00 -1.10 114.58 118.97 2cue h GLU 17 Ca 0.62 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.64 2cue h GLU 17 Cb 1.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2cue h GLU 17 CO -0.41 0.06 -1.87 1.96 -1.00 0.00 0.00 179.01 177.76 2cue h GLN 18 N 0.09 0.21 -0.58 2.33 4.20 -0.11 -3.35 115.11 117.91 2cue h GLN 18 Ca 0.04 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2cue h GLN 18 Cb 0.05 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2cue h GLN 18 CO -0.01 1.05 0.32 0.82 -0.67 0.00 0.00 178.83 180.34 2cue h ILE 19 N 0.06 1.17 -0.80 2.54 2.04 -0.32 0.23 117.51 122.42 2cue h ILE 19 Ca -0.37 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 2cue h ILE 19 Cb 2.03 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 2cue h ILE 19 CO 0.10 0.19 0.42 1.05 0.00 0.00 0.00 178.15 179.91 2cue h GLU 20 N 0.79 1.14 0.00 2.37 4.11 -1.36 0.18 114.58 121.81 2cue h GLU 20 Ca 0.21 -0.15 -0.15 0.00 0.07 0.00 0.00 59.36 59.34 2cue h GLU 20 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2cue h GLU 20 CO -0.04 0.85 -0.84 0.00 0.07 0.00 0.00 179.01 179.06 2cue h ALA 21 N 1.22 0.59 0.00 1.06 0.00 -1.55 -3.06 119.26 117.52 2cue h ALA 21 Ca 0.28 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2cue h ALA 21 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2cue h ALA 21 CO -0.04 0.89 -0.48 -0.07 0.00 0.00 0.00 179.25 179.55 2cue h LEU 22 N 0.00 0.00 0.18 0.00 3.38 -0.18 -3.11 115.31 115.58 2cue h LEU 22 Ca -0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 2cue h LEU 22 Cb 1.55 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.33 2cue h LEU 22 CO 0.08 0.48 -1.10 -0.33 0.09 0.00 0.00 178.44 177.65 2cue h GLU 23 N 0.00 0.43 -0.60 1.13 5.08 -0.70 -3.10 114.58 116.83 2cue h GLU 23 Ca -0.00 -0.70 0.02 0.00 -1.00 0.00 0.00 59.36 57.67 2cue h GLU 23 Cb 1.27 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 2cue h GLU 23 CO 0.06 1.33 0.37 -0.22 -1.00 0.00 0.00 179.01 179.55 2cue h LYS 24 N -0.10 0.72 -0.28 2.33 3.64 -1.60 -0.40 116.57 120.89 2cue h LYS 24 Ca -0.19 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 2cue h LYS 24 Cb 1.86 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 2cue h LYS 24 CO 0.21 0.48 -0.02 1.49 -2.27 0.00 0.00 179.45 179.33 2cue h GLU 25 N 0.74 0.43 -0.16 1.90 4.57 -1.65 -2.84 114.58 117.57 2cue h GLU 25 Ca 0.23 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.23 2cue h GLU 25 Cb -0.01 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2cue h GLU 25 CO -0.09 0.48 -0.26 0.35 -1.18 0.00 0.00 179.01 178.31 2cue h PHE 26 N 0.41 0.56 -0.91 0.92 3.04 -1.26 -1.32 116.94 118.38 2cue h PHE 26 Ca 0.09 -0.20 0.19 0.00 3.98 0.00 0.00 57.97 62.03 2cue h PHE 26 Cb 0.31 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.64 2cue h PHE 26 CO 0.01 0.89 0.59 0.93 -2.02 0.00 0.00 178.31 178.71 2cue h GLU 27 N 0.08 0.51 0.09 1.11 5.08 -0.87 -2.02 114.58 118.55 2cue h GLU 27 Ca 0.01 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2cue h GLU 27 Cb 0.84 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.99 2cue h GLU 27 CO 0.06 0.34 -0.59 -0.09 -1.00 0.00 0.00 179.01 177.73 2cue h ARG 28 N 0.52 0.18 -3.04 2.33 9.65 -1.46 -3.46 114.38 119.10 2cue h ARG 28 Ca 0.48 -0.31 -0.23 0.00 -1.10 0.00 0.00 59.98 58.82 2cue h ARG 28 Cb 1.01 0.11 -0.32 0.00 -1.39 0.00 0.00 29.97 29.39 2cue h ARG 28 CO -0.21 1.15 -0.55 -0.08 2.80 0.00 0.00 179.97 183.08 2cue s THR 29 N -2.36 -0.19 -0.47 0.20 -1.32 -0.51 -5.01 115.64 105.99 2cue s THR 29 Ca -0.16 0.24 0.25 0.00 -1.21 0.00 0.00 61.69 60.80 2cue s THR 29 Cb -0.00 -0.35 0.27 0.00 -1.51 0.00 0.00 72.50 70.91 2cue s THR 29 CO 0.77 0.10 1.75 0.45 -2.21 0.00 0.00 174.62 175.48 2cue h HIS 30 N 7.75 0.00 -2.76 9.09 3.86 -1.80 -3.34 115.15 127.95 2cue h HIS 30 Ca -0.28 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.32 2cue h HIS 30 Cb 1.13 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.20 2cue h HIS 30 CO 0.39 0.00 -0.77 0.71 0.86 0.00 0.00 177.93 179.12 2cue s TYR 31 N -3.31 2.31 -0.63 2.45 2.02 -1.26 -4.94 117.35 113.99 2cue s TYR 31 Ca 0.05 -2.79 -0.26 0.00 -0.37 0.00 0.00 57.07 53.70 2cue s TYR 31 Cb 0.10 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 2cue s TYR 31 CO 0.46 -0.70 1.87 -1.25 -1.57 0.00 0.00 175.55 174.36 2cue s PRO 32 N -0.58 2.62 1.06 -1.71 0.04 -1.26 -4.97 135.00 130.20 2cue s PRO 32 Ca 0.27 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.70 2cue s PRO 32 Cb -0.03 -4.42 0.12 0.00 0.04 0.00 0.00 34.50 30.20 2cue s PRO 32 CO -0.16 -2.77 0.03 -0.25 0.04 0.00 0.00 177.00 173.89 2cue n ASP 33 N 12.82 -2.75 -0.34 6.66 9.92 -1.26 -3.77 116.55 137.83 2cue n ASP 33 Ca 0.21 -0.26 0.15 0.00 -0.53 0.00 0.00 54.79 54.36 2cue n ASP 33 Cb 0.52 -0.82 0.36 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.30 0.68 0.00 2.53 3.04 -1.98 0.62 116.25 118.83 2cue h VAL 34 Ca -0.38 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2cue h VAL 34 Cb 1.08 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2cue h VAL 34 CO 0.26 0.13 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.66 2cue h PHE 35 N 0.69 0.00 0.00 3.17 0.04 -2.00 0.48 116.94 119.33 2cue h PHE 35 Ca 0.58 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 61.03 2cue h PHE 35 Cb 0.99 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.10 2cue h PHE 35 CO -0.00 0.02 -1.71 0.00 -0.60 0.00 0.00 178.31 176.02 2cue n ALA 36 N -2.20 0.93 -0.28 2.45 0.00 0.20 -3.62 120.51 117.97 2cue n ALA 36 Ca -0.03 -0.70 0.01 0.00 0.00 0.00 0.00 53.44 52.73 2cue n ALA 36 Cb 0.12 -0.33 0.21 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.98 1.09 0.54 0.00 3.08 -0.82 -0.67 114.38 116.63 2cue h ARG 37 Ca -0.47 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 2cue h ARG 37 Cb 1.42 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 31.23 2cue h ARG 37 CO -0.28 0.72 -0.26 0.93 -1.07 0.00 0.00 179.97 180.01 2cue h GLU 38 N 1.12 -0.70 -0.71 0.04 5.08 -1.10 0.25 114.58 118.57 2cue h GLU 38 Ca 0.33 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 2cue h GLU 38 Cb -0.06 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2cue h GLU 38 CO -0.09 -0.39 0.34 0.00 -1.00 0.00 0.00 179.01 177.87 2cue h ARG 39 N -0.98 0.56 -0.50 2.33 2.47 -1.59 -1.65 114.38 115.02 2cue h ARG 39 Ca -0.07 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.48 2cue h ARG 39 Cb 0.63 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2cue h ARG 39 CO 0.12 0.37 -0.19 1.25 0.56 0.00 0.00 179.97 182.08 2cue h LEU 40 N 0.57 1.04 -1.51 3.04 5.85 -1.09 -2.75 115.31 120.46 2cue h LEU 40 Ca 0.35 -0.39 0.37 0.00 0.84 0.00 0.00 57.88 59.05 2cue h LEU 40 Cb 0.39 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 2cue h LEU 40 CO -0.28 1.19 0.81 0.00 -0.34 0.00 0.00 178.44 179.82 2cue h ALA 41 N 0.88 2.67 0.00 1.25 0.00 0.51 1.30 119.26 125.87 2cue h ALA 41 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cue h ALA 41 Cb 0.77 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2cue h ALA 41 CO 0.06 -1.17 -1.04 0.00 0.00 0.00 0.00 179.25 177.10 2cue n ALA 42 N -2.56 2.90 0.09 0.00 0.00 -1.12 -0.63 120.51 119.19 2cue n ALA 42 Ca 0.31 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2cue n ALA 42 Cb 1.23 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 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 0.29 -0.01 0.00 3.64 0.18 -3.33 116.57 117.35 2cue h LYS 43 Ca 0.00 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2cue h LYS 43 Cb 0.87 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2cue h LYS 43 CO 0.00 1.13 -0.11 0.44 -2.27 0.00 0.00 179.45 178.64 2cue n ILE 44 N -3.61 0.00 -3.23 2.00 -5.35 0.24 -5.00 119.36 104.41 2cue n ILE 44 Ca -0.07 -0.45 -0.16 0.00 -0.27 0.00 0.00 62.75 61.81 2cue n ILE 44 Cb 0.92 1.11 0.06 0.00 -1.74 0.00 0.00 39.64 39.99 2cue n ILE 44 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2cue n ASP 45 N -0.09 -4.29 -4.34 7.28 2.03 -0.44 -4.84 116.55 111.86 2cue n ASP 45 Ca 0.03 -0.41 -0.26 0.00 0.52 0.00 0.00 54.79 54.66 2cue n ASP 45 Cb 0.16 -3.86 -0.13 0.00 -0.72 0.00 0.00 41.12 36.58 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cue s LEU 46 N -5.52 2.32 0.20 -2.67 1.43 0.20 -5.00 118.68 109.64 2cue s LEU 46 Ca 0.30 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 2cue s LEU 46 Cb -0.13 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 2cue s LEU 46 CO 0.54 0.12 1.30 -2.16 0.23 0.00 0.00 176.35 176.38 2cue s PRO 47 N -2.03 4.39 0.62 1.29 0.04 -1.26 -4.31 135.00 133.74 2cue s PRO 47 Ca 0.11 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.43 2cue s PRO 47 Cb -0.10 -3.19 1.05 0.00 0.04 0.00 0.00 34.50 32.30 2cue s PRO 47 CO 0.05 -0.24 1.54 1.49 0.04 0.00 0.00 177.00 179.88 2cue h GLU 48 N 5.29 0.00 -0.08 4.56 4.81 -1.93 0.79 114.58 128.02 2cue h GLU 48 Ca -0.45 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.55 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 0.77 0.00 -0.86 0.00 -0.73 0.00 0.00 179.01 178.19 2cue h ALA 49 N 0.86 0.21 0.39 2.92 0.00 -1.96 -3.24 119.26 118.43 2cue h ALA 49 Ca 0.22 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2cue h ALA 49 Cb 1.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2cue h ALA 49 CO -0.00 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 2cue h ARG 50 N 0.41 -0.50 -0.87 0.00 2.47 0.24 -3.01 114.38 113.12 2cue h ARG 50 Ca -0.08 0.03 0.22 0.00 -1.26 0.00 0.00 59.98 58.89 2cue h ARG 50 Cb 1.50 0.11 -0.16 0.00 -1.65 0.00 0.00 29.97 29.78 2cue h ARG 50 CO 0.17 -0.27 0.02 0.82 0.56 0.00 0.00 179.97 181.28 2cue h ILE 51 N -0.64 0.19 -0.32 2.04 2.04 -1.61 0.13 117.51 119.34 2cue h ILE 51 Ca -0.05 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.85 2cue h ILE 51 Cb 0.47 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 2cue h ILE 51 CO 0.09 0.01 -0.23 1.56 0.00 0.00 0.00 178.15 179.58 2cue h GLN 52 N 0.07 -0.20 0.95 2.37 4.20 -1.55 -0.78 115.11 120.18 2cue h GLN 52 Ca 0.50 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 59.18 2cue h GLN 52 Cb 0.96 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.79 2cue h GLN 52 CO -0.79 -0.13 -0.46 0.28 -0.67 0.00 0.00 178.83 177.07 2cue h VAL 53 N -0.20 0.00 -1.00 -0.54 2.07 -0.76 0.58 116.25 116.40 2cue h VAL 53 Ca 0.16 0.00 0.37 0.00 0.82 0.00 0.00 66.70 68.05 2cue h VAL 53 Cb 0.46 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.06 2cue h VAL 53 CO -0.44 0.00 0.55 -0.25 0.02 0.00 0.00 177.57 177.46 2cue h TRP 54 N -1.28 0.88 -0.08 1.57 7.01 -1.04 0.71 115.95 123.72 2cue h TRP 54 Ca -0.13 0.04 -0.23 0.00 2.11 0.00 0.00 58.89 60.67 2cue h TRP 54 Cb 0.98 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.84 2cue h TRP 54 CO 0.01 -0.32 -0.86 0.74 -2.79 0.00 0.00 178.44 175.22 2cue h PHE 55 N 0.17 1.03 0.26 2.65 -1.00 -0.85 -2.90 116.94 116.30 2cue h PHE 55 Ca 0.79 -0.50 0.01 0.00 2.81 0.00 0.00 57.97 61.08 2cue h PHE 55 Cb 1.95 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 41.34 2cue h PHE 55 CO -0.01 1.33 -0.37 0.77 -1.61 0.00 0.00 178.31 178.42 2cue h SER 56 N 0.43 -1.03 -0.74 2.17 0.02 0.27 -1.80 113.55 112.88 2cue h SER 56 Ca -0.08 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2cue h SER 56 Cb 1.50 0.37 -0.06 0.00 0.14 0.00 0.00 62.40 64.35 2cue h SER 56 CO 0.17 -0.48 0.43 0.78 -1.14 0.00 0.00 176.83 176.59 2cue h ASN 57 N -0.69 0.66 -0.16 3.07 2.35 -1.35 -2.68 115.58 116.79 2cue h ASN 57 Ca -0.00 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2cue h ASN 57 Cb 0.66 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.85 2cue h ASN 57 CO -0.13 0.43 -0.31 0.03 -1.65 0.00 0.00 177.43 175.80 2cue h ARG 58 N 0.80 -0.35 -0.99 0.81 2.47 -1.22 -1.27 114.38 114.62 2cue h ARG 58 Ca 0.33 0.02 0.32 0.00 -1.26 0.00 0.00 59.98 59.39 2cue h ARG 58 Cb 0.17 0.08 -0.18 0.00 -1.65 0.00 0.00 29.97 28.39 2cue h ARG 58 CO -0.17 -0.23 0.19 0.54 0.56 0.00 0.00 179.97 180.85 2cue n ARG 59 N -5.40 -0.07 -0.14 0.04 1.74 -0.72 0.19 116.66 112.29 2cue n ARG 59 Ca -0.03 1.45 -0.06 0.00 -0.77 0.00 0.00 57.85 58.44 2cue n ARG 59 Cb 0.32 -2.39 0.11 0.00 -1.02 0.00 0.00 32.46 29.49 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 1.98 1.00 -0.03 7.54 0.00 -1.28 0.21 119.26 128.68 2cue h ALA 60 Ca 0.68 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 2cue h ALA 60 Cb 1.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2cue h ALA 60 CO -0.88 0.61 -0.66 -0.22 0.00 0.00 0.00 179.25 178.10 2cue h LYS 61 N 0.82 0.11 0.04 0.00 3.64 0.24 -2.39 116.57 119.03 2cue h LYS 61 Ca 0.15 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2cue h LYS 61 Cb 0.50 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2cue h LYS 61 CO 0.03 0.73 -0.30 2.35 -2.27 0.00 0.00 179.45 179.98 2cue h TRP 62 N 0.08 0.23 -0.85 1.91 7.01 0.01 -2.34 115.95 122.00 2cue h TRP 62 Ca -0.01 -0.15 0.03 0.00 2.11 0.00 0.00 58.89 60.86 2cue h TRP 62 Cb 1.18 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 28.17 2cue h TRP 62 CO 0.01 1.06 0.56 0.00 -2.79 0.00 0.00 178.44 177.29 2cue h ARG 63 N -0.67 1.06 -0.19 2.65 3.08 -0.65 0.18 114.38 119.84 2cue h ARG 63 Ca -0.05 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.74 2cue h ARG 63 Cb 1.17 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.99 2cue h ARG 63 CO 0.06 0.70 -0.66 0.07 -1.07 0.00 0.00 179.97 179.07 2cue h ARG 64 N 1.10 0.79 0.32 0.04 0.11 -1.52 -3.30 114.38 111.91 2cue h ARG 64 Ca 0.33 -0.59 -0.02 0.00 0.10 0.00 0.00 59.98 59.80 2cue h ARG 64 Cb -0.03 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2cue h ARG 64 CO -0.09 1.21 -0.16 0.93 0.10 0.00 0.00 179.97 181.96 2cue h GLU 65 N 0.53 -0.42 -0.77 0.08 4.39 -0.91 -2.84 114.58 114.65 2cue h GLU 65 Ca -0.03 0.03 0.26 0.00 0.34 0.00 0.00 59.36 59.96 2cue h GLU 65 Cb 1.28 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.89 2cue h GLU 65 CO 0.14 -0.10 0.20 -1.91 -1.16 0.00 0.00 179.01 176.18 2cue n GLU 66 N -5.14 -0.05 0.17 2.33 0.00 0.59 0.13 120.64 118.66 2cue n GLU 66 Ca -0.10 1.10 -0.11 0.00 0.00 0.00 0.00 57.16 58.06 2cue n GLU 66 Cb 0.27 -1.86 -0.06 0.00 0.00 0.00 0.00 31.44 29.79 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 -0.48 -1.02 5.31 1.63 -1.62 -0.34 116.57 120.04 2cue h LYS 67 Ca 0.55 0.03 0.27 0.00 -0.85 0.00 0.00 60.65 60.66 2cue h LYS 67 Cb 1.32 0.11 -0.12 0.00 -0.60 0.00 0.00 32.23 32.94 2cue h LYS 67 CO -0.66 -0.20 0.61 -0.07 -3.45 0.00 0.00 179.45 175.68 2cue h LEU 68 N -1.02 0.59 -0.03 5.20 3.38 -0.07 -0.09 115.31 123.27 2cue h LEU 68 Ca -0.05 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2cue h LEU 68 Cb 0.51 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2cue h LEU 68 CO 0.08 0.04 -0.26 0.03 0.09 0.00 0.00 178.44 178.43 2cue h ARG 69 N 0.48 0.22 -1.00 1.13 3.08 -0.68 -3.25 114.38 114.36 2cue h ARG 69 Ca 0.66 -0.20 0.27 0.00 0.07 0.00 0.00 59.98 60.78 2cue h ARG 69 Cb 1.42 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.38 2cue h ARG 69 CO -0.47 0.89 0.57 -0.97 -1.07 0.00 0.00 179.97 178.92 2cue h ASN 70 N -0.37 0.59 -0.84 7.04 -1.24 0.78 0.36 115.58 121.90 2cue h ASN 70 Ca -0.02 0.16 0.03 0.00 0.71 0.00 0.00 56.30 57.17 2cue h ASN 70 Cb 0.95 0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 2cue h ASN 70 CO 0.05 0.00 0.55 1.56 -1.29 0.00 0.00 177.43 178.30 2cue h GLN 71 N 0.47 1.05 -0.55 6.67 4.20 -1.40 -1.67 115.11 123.88 2cue h GLN 71 Ca 0.68 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.39 2cue h GLN 71 Cb 1.40 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 2cue h GLN 71 CO -0.53 0.70 0.37 -0.09 -0.67 0.00 0.00 178.83 178.60 2cue h ARG 72 N 1.08 0.48 -5.48 1.46 2.43 -0.36 -3.44 114.38 110.55 2cue h ARG 72 Ca 0.33 -0.03 -0.55 0.00 -0.81 0.00 0.00 59.98 58.92 2cue h ARG 72 Cb -0.04 -0.11 0.16 0.00 -0.42 0.00 0.00 29.97 29.56 2cue h ARG 72 CO -0.10 0.32 -1.01 -2.13 -1.51 0.00 0.00 179.97 175.54 2cue n ARG 73 N -4.47 0.00 -1.56 0.20 0.63 -0.63 -4.54 116.66 106.29 2cue n ARG 73 Ca 0.08 0.00 -0.61 0.00 -0.92 0.00 0.00 57.85 56.40 2cue n ARG 73 Cb 0.25 -0.91 -0.09 0.00 0.45 0.00 0.00 32.46 32.16 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 1.34 0.00 -3.64 -0.14 10.64 -1.26 -4.91 117.38 119.40 2cue n GLN 74 Ca 0.08 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.18 2cue n GLN 74 Cb 0.42 -1.36 -0.07 0.00 -0.86 0.00 0.00 30.24 28.37 2cue n GLN 74 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2cue s SER 75 N 2.45 -0.59 -0.05 2.61 0.01 -1.26 -5.05 113.70 111.80 2cue s SER 75 Ca 0.94 1.03 -0.10 0.00 1.31 0.00 0.00 55.95 59.12 2cue s SER 75 Cb -1.34 1.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2cue s SER 75 CO 0.72 -0.17 0.42 1.23 0.41 0.00 0.00 173.24 175.85 2cue h GLY 76 N 5.50 -0.38 1.76 3.44 0.00 -1.97 -3.30 103.07 108.12 2cue h GLY 76 Ca -0.29 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2cue h GLY 76 CO 0.14 -0.14 0.00 -1.55 0.00 0.00 0.00 176.54 175.00 2cue n PRO 77 N -4.92 0.12 -0.22 4.80 -0.04 -1.26 -3.48 135.00 130.00 2cue n PRO 77 Ca -0.04 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2cue n PRO 77 Cb 0.14 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.23 2cue n PRO 77 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cue h SER 78 N 0.00 -0.09 -3.39 3.54 0.87 -1.92 -3.39 113.55 109.16 2cue h SER 78 Ca 0.00 0.14 -0.55 0.00 -1.23 0.00 0.00 61.79 60.15 2cue h SER 78 Cb 0.19 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2cue h SER 78 CO 0.00 -0.05 -0.01 -0.55 -0.53 0.00 0.00 176.83 175.69 2cue s SER 79 N -5.26 6.95 0.00 6.23 0.15 -1.23 -5.09 113.70 115.46 2cue s SER 79 Ca -0.13 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2cue s SER 79 Cb 0.19 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2cue s SER 79 CO 0.74 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.90