#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cue n SER 2 N 0.00 -2.13 -4.61 1.61 2.88 -1.26 -4.98 113.62 105.12 2cue n SER 2 Ca 0.00 0.93 -0.28 0.00 -1.33 0.00 0.00 58.87 58.18 2cue n SER 2 Cb 0.00 -0.93 -0.10 0.00 -0.75 0.00 0.00 64.21 62.43 2cue n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cue s SER 3 N -0.99 3.71 -0.13 -3.46 0.15 -1.26 -5.14 113.70 106.58 2cue s SER 3 Ca 0.61 -1.46 0.01 0.00 0.70 0.00 0.00 55.95 55.81 2cue s SER 3 Cb -0.73 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 2cue s SER 3 CO 0.60 -0.60 -0.16 -0.83 1.20 0.00 0.00 173.24 173.45 2cue s GLY 4 N -3.72 1.47 0.00 9.45 0.00 -1.26 -4.98 107.32 108.28 2cue s GLY 4 Ca 0.27 -0.96 0.19 0.00 0.00 0.00 0.00 44.72 44.21 2cue s GLY 4 CO 0.13 -0.14 1.57 -1.14 0.00 0.00 0.00 173.10 173.52 2cue n SER 5 N 3.71 0.00 -3.97 1.64 3.41 -1.26 -4.32 113.62 112.83 2cue n SER 5 Ca -0.19 -0.16 -0.31 0.00 -0.26 0.00 0.00 58.87 57.96 2cue n SER 5 Cb 0.52 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 2cue n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cue s SER 6 N -2.41 4.59 -0.39 4.04 0.01 -1.26 -5.01 113.70 113.26 2cue s SER 6 Ca 0.21 -2.31 0.06 0.00 1.31 0.00 0.00 55.95 55.22 2cue s SER 6 Cb 0.13 -1.55 0.18 0.00 0.21 0.00 0.00 66.02 64.99 2cue s SER 6 CO 0.27 -0.35 0.68 -0.83 0.41 0.00 0.00 173.24 173.42 2cue s GLY 7 N 0.69 -1.29 0.12 3.44 0.00 -1.26 -5.16 107.32 103.86 2cue s GLY 7 Ca 0.12 0.43 -0.08 0.00 0.00 0.00 0.00 44.72 45.19 2cue s GLY 7 CO -0.07 3.74 0.21 -0.86 0.00 0.00 0.00 173.10 176.11 2cue s GLN 8 N 1.96 0.95 -1.44 2.90 -2.07 -1.26 -4.90 119.66 115.80 2cue s GLN 8 Ca 0.15 -1.08 -0.10 0.00 -1.82 0.00 0.00 55.36 52.51 2cue s GLN 8 Cb -0.04 0.34 0.05 0.00 -1.09 0.00 0.00 33.01 32.28 2cue s GLN 8 CO -0.10 -0.32 0.99 -2.13 -1.32 0.00 0.00 175.29 172.42 2cue n ARG 9 N -0.11 -6.09 -2.74 9.60 0.63 -1.26 -4.90 116.66 111.79 2cue n ARG 9 Ca -0.12 0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 57.06 2cue n ARG 9 Cb 0.63 -5.56 -0.04 0.00 0.45 0.00 0.00 32.46 27.94 2cue n ARG 9 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2cue s ASN 10 N -3.53 6.24 -0.34 6.15 -0.87 -1.26 -4.98 114.94 116.36 2cue s ASN 10 Ca 0.51 -0.56 0.03 0.00 -1.57 0.00 0.00 52.86 51.28 2cue s ASN 10 Cb -0.25 -2.48 0.10 0.00 -0.02 0.00 0.00 41.25 38.61 2cue s ASN 10 CO 0.80 -1.50 0.06 0.00 -2.57 0.00 0.00 177.10 173.88 2cue s ARG 11 N 4.61 1.37 -0.19 -0.60 1.70 -1.26 -5.07 118.95 119.50 2cue s ARG 11 Ca 0.30 -1.76 -0.29 0.00 -0.47 0.00 0.00 55.73 53.52 2cue s ARG 11 Cb -0.12 -3.02 -0.06 0.00 -0.57 0.00 0.00 34.95 31.17 2cue s ARG 11 CO 0.15 -0.95 2.19 2.41 -1.08 0.00 0.00 175.30 178.03 2cue n THR 12 N 4.34 0.40 -0.05 4.99 -1.04 -1.26 -4.87 114.28 116.79 2cue n THR 12 Ca 0.03 -0.41 -0.02 0.00 -2.04 0.00 0.00 64.05 61.61 2cue n THR 12 Cb 0.42 -2.50 -0.01 0.00 -1.82 0.00 0.00 70.33 66.42 2cue n THR 12 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2cue h SER 13 N 14.38 0.00 -3.38 8.00 0.02 -2.03 -3.48 113.55 127.06 2cue h SER 13 Ca -0.42 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.09 2cue h SER 13 Cb 1.24 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.98 2cue h SER 13 CO 0.96 0.53 0.05 -0.36 -1.14 0.00 0.00 176.83 176.87 2cue s PHE 14 N -1.77 1.52 0.17 3.45 0.08 -1.26 -5.04 117.98 115.12 2cue s PHE 14 Ca -0.07 1.11 0.07 0.00 0.12 0.00 0.00 56.93 58.16 2cue s PHE 14 Cb 0.01 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.28 2cue s PHE 14 CO 0.10 -3.69 -0.00 0.95 -0.10 0.00 0.00 175.22 172.47 2cue s THR 15 N -2.58 3.74 0.51 0.64 -4.23 -1.26 -4.97 115.64 107.49 2cue s THR 15 Ca 0.68 -1.39 0.26 0.00 -1.18 0.00 0.00 61.69 60.06 2cue s THR 15 Cb -0.23 -2.87 0.43 0.00 1.34 0.00 0.00 72.50 71.17 2cue s THR 15 CO 0.63 -0.09 1.92 -0.61 -0.54 0.00 0.00 174.62 175.93 2cue h GLN 16 N 2.77 0.09 -0.01 3.99 -0.00 -1.98 0.47 115.11 120.45 2cue h GLN 16 Ca -0.47 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.09 2cue h GLN 16 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.65 2cue h GLN 16 CO 0.58 0.06 -0.39 0.93 0.00 0.00 0.00 178.83 180.01 2cue h GLU 17 N 0.09 0.01 0.10 1.69 5.08 -2.01 -2.35 114.58 117.21 2cue h GLU 17 Ca 0.38 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.38 2cue h GLU 17 Cb 1.35 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2cue h GLU 17 CO -0.04 0.40 -1.97 1.04 -1.00 0.00 0.00 179.01 177.44 2cue n GLN 18 N -4.08 0.74 0.11 2.33 6.02 0.13 -4.04 117.38 118.59 2cue n GLN 18 Ca -0.02 0.26 0.05 0.00 -0.01 0.00 0.00 57.00 57.29 2cue n GLN 18 Cb 0.42 -1.72 0.51 0.00 1.02 0.00 0.00 30.24 30.47 2cue n GLN 18 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2cue h ILE 19 N 0.06 1.07 -0.60 5.09 2.04 -0.57 0.18 117.51 124.78 2cue h ILE 19 Ca -0.41 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 2cue h ILE 19 Cb 2.03 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2cue h ILE 19 CO 0.08 0.07 0.07 1.05 0.00 0.00 0.00 178.15 179.43 2cue h GLU 20 N 0.32 1.01 0.00 2.37 4.11 -1.57 0.33 114.58 121.15 2cue h GLU 20 Ca 0.09 -0.28 -0.21 0.00 0.07 0.00 0.00 59.36 59.02 2cue h GLU 20 Cb -0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2cue h GLU 20 CO -0.02 0.96 -1.01 0.00 0.07 0.00 0.00 179.01 179.01 2cue h ALA 21 N 1.01 0.40 0.00 1.06 0.00 -1.51 -2.96 119.26 117.25 2cue h ALA 21 Ca 0.18 -0.91 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 2cue h ALA 21 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2cue h ALA 21 CO 0.02 1.23 -0.41 -0.07 0.00 0.00 0.00 179.25 180.02 2cue h LEU 22 N 0.00 0.00 0.08 0.00 3.38 -0.51 -2.97 115.31 115.28 2cue h LEU 22 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2cue h LEU 22 Cb 1.76 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.52 2cue h LEU 22 CO 0.12 0.41 -0.49 -0.33 0.09 0.00 0.00 178.44 178.24 2cue h GLU 23 N 0.00 0.19 -0.73 1.13 5.08 -0.96 -3.06 114.58 116.22 2cue h GLU 23 Ca -0.00 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2cue h GLU 23 Cb 1.11 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2cue h GLU 23 CO 0.05 1.14 0.44 -0.22 -1.00 0.00 0.00 179.01 179.42 2cue h LYS 24 N -0.60 0.80 -0.32 2.33 3.64 -1.58 0.13 116.57 120.97 2cue h LYS 24 Ca -0.08 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2cue h LYS 24 Cb 1.37 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2cue h LYS 24 CO 0.09 0.53 -0.04 1.49 -2.27 0.00 0.00 179.45 179.25 2cue h GLU 25 N 0.82 0.51 -0.07 1.90 4.57 -1.64 -2.95 114.58 117.72 2cue h GLU 25 Ca 0.32 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2cue h GLU 25 Cb 0.13 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2cue h GLU 25 CO -0.16 0.56 -0.37 0.35 -1.18 0.00 0.00 179.01 178.22 2cue h PHE 26 N 0.48 0.51 -0.89 0.92 3.04 -1.16 -1.55 116.94 118.28 2cue h PHE 26 Ca 0.10 -0.22 0.24 0.00 3.98 0.00 0.00 57.97 62.06 2cue h PHE 26 Cb 0.38 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 2cue h PHE 26 CO 0.01 0.98 0.62 0.93 -2.02 0.00 0.00 178.31 178.83 2cue h GLU 27 N -0.11 0.14 0.08 1.11 5.08 -0.63 -1.60 114.58 118.66 2cue h GLU 27 Ca -0.03 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 2cue h GLU 27 Cb 1.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2cue h GLU 27 CO 0.08 0.09 -1.29 -0.09 -1.00 0.00 0.00 179.01 176.80 2cue h ARG 28 N 0.15 0.17 -3.13 2.33 9.65 -1.49 -3.47 114.38 118.60 2cue h ARG 28 Ca 0.44 -0.30 -0.26 0.00 -1.10 0.00 0.00 59.98 58.77 2cue h ARG 28 Cb 1.50 0.11 -0.33 0.00 -1.39 0.00 0.00 29.97 29.86 2cue h ARG 28 CO -0.07 1.14 -0.60 -0.08 2.80 0.00 0.00 179.97 183.16 2cue s THR 29 N -2.44 -0.17 -0.83 0.20 -1.32 -0.59 -5.01 115.64 105.48 2cue s THR 29 Ca -0.22 0.26 0.24 0.00 -1.21 0.00 0.00 61.69 60.76 2cue s THR 29 Cb 0.04 -0.30 0.22 0.00 -1.51 0.00 0.00 72.50 70.96 2cue s THR 29 CO 0.72 0.11 1.74 1.41 -2.21 0.00 0.00 174.62 176.39 2cue n HIS 30 N 4.79 0.39 -3.73 9.09 8.25 -1.21 -3.89 115.22 128.91 2cue n HIS 30 Ca -0.15 0.13 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 2cue n HIS 30 Cb 0.51 -0.71 -0.12 0.00 1.12 0.00 0.00 29.99 30.79 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 -3.09 2.52 -0.72 4.41 2.02 -1.26 -4.91 117.35 116.31 2cue s TYR 31 Ca 0.10 -2.85 -0.26 0.00 -0.37 0.00 0.00 57.07 53.69 2cue s TYR 31 Cb 0.13 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2cue s TYR 31 CO 0.45 -0.69 1.90 -1.25 -1.57 0.00 0.00 175.55 174.40 2cue s PRO 32 N -0.55 2.59 1.09 -1.71 0.04 -1.26 -4.97 135.00 130.23 2cue s PRO 32 Ca 0.25 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 2cue s PRO 32 Cb -0.09 -4.65 0.20 0.00 0.04 0.00 0.00 34.50 30.00 2cue s PRO 32 CO -0.12 -2.99 0.37 -0.25 0.04 0.00 0.00 177.00 174.05 2cue n ASP 33 N 13.27 -3.09 -0.30 6.66 8.00 -1.26 -3.76 116.55 136.06 2cue n ASP 33 Ca 0.28 -0.43 0.12 0.00 0.71 0.00 0.00 54.79 55.47 2cue n ASP 33 Cb 0.50 -0.83 0.35 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.76 0.81 0.00 2.53 3.04 -1.98 0.44 116.25 118.33 2cue h VAL 34 Ca -0.30 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 2cue h VAL 34 Cb 0.92 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2cue h VAL 34 CO 0.20 0.14 -0.06 -0.26 -1.01 0.00 0.00 177.57 176.57 2cue h PHE 35 N 0.75 0.00 0.04 3.17 0.04 -2.00 -0.76 116.94 118.18 2cue h PHE 35 Ca 0.49 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.94 2cue h PHE 35 Cb 0.75 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 2cue h PHE 35 CO -0.00 0.06 -1.77 0.00 -0.60 0.00 0.00 178.31 176.00 2cue n ALA 36 N -2.16 0.92 -0.18 2.45 0.00 0.12 -3.51 120.51 118.16 2cue n ALA 36 Ca -0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.70 2cue n ALA 36 Cb 0.25 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.56 0.76 0.79 0.00 3.08 -0.60 -0.93 114.38 116.92 2cue h ARG 37 Ca -0.44 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.44 2cue h ARG 37 Cb 1.64 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.57 2cue h ARG 37 CO -0.13 0.66 -0.38 0.93 -1.07 0.00 0.00 179.97 179.99 2cue h GLU 38 N 0.69 -1.02 -0.69 0.04 5.08 -1.34 0.50 114.58 117.85 2cue h GLU 38 Ca 0.17 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 2cue h GLU 38 Cb 0.18 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 2cue h GLU 38 CO -0.02 -0.66 0.27 0.00 -1.00 0.00 0.00 179.01 177.60 2cue h ARG 39 N -1.17 0.42 -0.45 2.33 3.08 -1.59 -1.15 114.38 115.85 2cue h ARG 39 Ca -0.11 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 2cue h ARG 39 Cb 0.82 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2cue h ARG 39 CO 0.18 0.28 -0.26 1.25 -1.07 0.00 0.00 179.97 180.34 2cue h LEU 40 N 0.43 0.99 -1.21 3.04 5.85 -1.09 -2.41 115.31 120.91 2cue h LEU 40 Ca 0.37 -0.40 0.33 0.00 0.84 0.00 0.00 57.88 59.02 2cue h LEU 40 Cb 0.52 -0.28 -0.13 0.00 0.37 0.00 0.00 40.66 41.15 2cue h LEU 40 CO -0.37 1.19 0.67 0.00 -0.34 0.00 0.00 178.44 179.59 2cue h ALA 41 N 0.87 2.21 0.00 1.25 0.00 0.13 0.76 119.26 124.49 2cue h ALA 41 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2cue h ALA 41 Cb 0.84 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2cue h ALA 41 CO 0.07 -0.76 -1.13 0.00 0.00 0.00 0.00 179.25 177.44 2cue n ALA 42 N -2.40 2.52 0.11 0.00 0.00 -1.13 0.28 120.51 119.88 2cue n ALA 42 Ca 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2cue n ALA 42 Cb 1.04 -1.06 0.21 0.00 0.00 0.00 0.00 19.45 19.64 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 0.18 0.00 0.00 3.64 0.98 -3.26 116.57 118.10 2cue h LYS 43 Ca -0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2cue h LYS 43 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2cue h LYS 43 CO 0.00 0.62 0.00 0.44 -2.27 0.00 0.00 179.45 178.24 2cue n ILE 44 N -3.97 0.00 -2.98 2.00 -5.35 -0.28 -5.02 119.36 103.77 2cue n ILE 44 Ca -0.02 -0.48 -0.12 0.00 -0.27 0.00 0.00 62.75 61.86 2cue n ILE 44 Cb 0.52 1.02 0.05 0.00 -1.74 0.00 0.00 39.64 39.49 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 -0.37 -3.31 -4.34 7.28 2.03 -0.14 -4.87 116.55 112.82 2cue n ASP 45 Ca 0.00 -0.33 -0.27 0.00 0.52 0.00 0.00 54.79 54.71 2cue n ASP 45 Cb 0.01 -3.12 -0.13 0.00 -0.72 0.00 0.00 41.12 37.15 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 -4.56 2.29 0.22 -2.67 1.43 0.14 -4.99 118.68 110.55 2cue s LEU 46 Ca 0.17 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 2cue s LEU 46 Cb -0.08 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 2cue s LEU 46 CO 0.42 0.14 1.29 -2.16 0.23 0.00 0.00 176.35 176.27 2cue s PRO 47 N -1.90 4.41 0.56 1.29 0.04 -1.26 -4.30 135.00 133.83 2cue s PRO 47 Ca 0.11 2.05 0.39 0.00 0.04 0.00 0.00 61.00 63.58 2cue s PRO 47 Cb -0.10 -3.18 1.54 0.00 0.04 0.00 0.00 34.50 32.81 2cue s PRO 47 CO 0.05 -0.20 1.72 1.49 0.04 0.00 0.00 177.00 180.10 2cue h GLU 48 N 4.96 0.00 -0.46 4.56 4.81 -1.93 0.76 114.58 127.28 2cue h GLU 48 Ca -0.45 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.63 2cue h GLU 48 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2cue h GLU 48 CO 0.75 0.00 -0.27 0.00 -0.73 0.00 0.00 179.01 178.76 2cue h ALA 49 N 1.25 0.65 0.49 2.92 0.00 -1.97 -3.19 119.26 119.41 2cue h ALA 49 Ca 0.62 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2cue h ALA 49 Cb 2.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.23 2cue h ALA 49 CO -0.01 0.68 -0.24 0.00 0.00 0.00 0.00 179.25 179.68 2cue h ARG 50 N 0.83 -0.64 -0.97 0.00 2.47 0.17 -3.04 114.38 113.21 2cue h ARG 50 Ca 0.10 0.04 0.27 0.00 -1.26 0.00 0.00 59.98 59.13 2cue h ARG 50 Cb 0.86 0.15 -0.18 0.00 -1.65 0.00 0.00 29.97 29.14 2cue h ARG 50 CO 0.08 -0.36 0.05 0.82 0.56 0.00 0.00 179.97 181.11 2cue h ILE 51 N -0.81 0.05 -0.16 2.04 2.04 -1.55 0.70 117.51 119.82 2cue h ILE 51 Ca -0.07 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2cue h ILE 51 Cb 0.57 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2cue h ILE 51 CO 0.11 0.00 -0.51 1.56 0.00 0.00 0.00 178.15 179.31 2cue h GLN 52 N 0.03 -0.52 0.30 2.37 4.20 -1.52 -1.02 115.11 118.95 2cue h GLN 52 Ca 0.59 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.33 2cue h GLN 52 Cb 1.22 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 2cue h GLN 52 CO -0.89 -0.35 -0.48 0.28 -0.67 0.00 0.00 178.83 176.72 2cue h VAL 53 N -0.54 0.00 -0.98 -0.54 2.07 -0.91 0.40 116.25 115.75 2cue h VAL 53 Ca 0.05 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.90 2cue h VAL 53 Cb 0.66 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.26 2cue h VAL 53 CO -0.45 0.00 0.27 -0.25 0.02 0.00 0.00 177.57 177.16 2cue h TRP 54 N -0.82 0.37 -0.03 1.57 7.01 -1.13 0.85 115.95 123.76 2cue h TRP 54 Ca -0.03 0.06 -0.24 0.00 2.11 0.00 0.00 58.89 60.78 2cue h TRP 54 Cb 0.76 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.83 2cue h TRP 54 CO -0.33 -0.41 -0.95 0.74 -2.79 0.00 0.00 178.44 174.69 2cue h PHE 55 N 0.04 0.87 0.10 2.65 -1.00 -0.44 -2.48 116.94 116.68 2cue h PHE 55 Ca 0.69 -0.45 0.01 0.00 2.81 0.00 0.00 57.97 61.03 2cue h PHE 55 Cb 1.62 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 41.05 2cue h PHE 55 CO -0.27 1.28 -0.14 1.03 -1.61 0.00 0.00 178.31 178.60 2cue h SER 56 N 0.36 -0.38 -0.24 2.17 0.87 0.50 -2.16 113.55 114.66 2cue h SER 56 Ca -0.09 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2cue h SER 56 Cb 1.58 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.67 2cue h SER 56 CO 0.18 -0.21 -0.11 0.78 -0.53 0.00 0.00 176.83 176.94 2cue h ASN 57 N -0.29 0.62 -0.40 6.23 2.35 -1.02 -3.03 115.58 120.05 2cue h ASN 57 Ca 0.02 -0.17 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2cue h ASN 57 Cb 0.29 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 2cue h ASN 57 CO -0.07 0.77 0.03 -0.09 -1.65 0.00 0.00 177.43 176.42 2cue h ARG 58 N 0.58 0.14 -0.89 0.81 9.65 -1.00 -1.49 114.38 122.18 2cue h ARG 58 Ca 0.10 -0.01 0.22 0.00 -1.10 0.00 0.00 59.98 59.20 2cue h ARG 58 Cb 0.54 -0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 28.96 2cue h ARG 58 CO 0.03 0.09 0.37 0.00 2.80 0.00 0.00 179.97 183.26 2cue h ARG 59 N 0.15 0.35 -0.20 0.20 3.08 -1.27 0.61 114.38 117.29 2cue h ARG 59 Ca 0.19 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 2cue h ARG 59 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2cue h ARG 59 CO -0.30 0.23 -0.18 0.00 -1.07 0.00 0.00 179.97 178.65 2cue h ALA 60 N 1.72 1.32 0.00 0.04 0.00 -1.37 0.18 119.26 121.16 2cue h ALA 60 Ca 0.56 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2cue h ALA 60 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2cue h ALA 60 CO -0.55 0.46 -0.32 -0.22 0.00 0.00 0.00 179.25 178.62 2cue h LYS 61 N 0.31 0.00 0.02 0.00 3.64 0.43 -2.54 116.57 118.43 2cue h LYS 61 Ca 0.06 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 2cue h LYS 61 Cb 0.51 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2cue h LYS 61 CO 0.03 0.32 -0.99 2.35 -2.27 0.00 0.00 179.45 178.89 2cue h TRP 62 N 0.00 0.09 -0.82 1.91 7.01 -0.21 -3.01 115.95 120.92 2cue h TRP 62 Ca -0.00 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2cue h TRP 62 Cb 1.14 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 2cue h TRP 62 CO 0.00 1.39 0.43 0.00 -2.79 0.00 0.00 178.44 177.46 2cue h ARG 63 N -0.86 1.16 -0.36 2.65 3.08 -0.76 0.17 114.38 119.47 2cue h ARG 63 Ca -0.26 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.49 2cue h ARG 63 Cb 1.32 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2cue h ARG 63 CO -0.11 0.87 -0.37 0.07 -1.07 0.00 0.00 179.97 179.36 2cue h ARG 64 N 1.16 0.89 0.42 0.04 0.11 -1.62 -3.22 114.38 112.17 2cue h ARG 64 Ca 0.29 -0.48 -0.02 0.00 0.10 0.00 0.00 59.98 59.87 2cue h ARG 64 Cb 0.07 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2cue h ARG 64 CO -0.04 1.12 -0.20 0.93 0.10 0.00 0.00 179.97 181.88 2cue h GLU 65 N 0.70 -0.55 -0.82 0.08 5.08 -1.33 -3.12 114.58 114.61 2cue h GLU 65 Ca 0.06 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 58.79 2cue h GLU 65 Cb 0.97 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.19 2cue h GLU 65 CO 0.09 -0.26 0.41 -1.91 -1.00 0.00 0.00 179.01 176.34 2cue n GLU 66 N -5.17 -0.05 0.17 2.33 0.00 0.58 0.90 120.64 119.39 2cue n GLU 66 Ca -0.09 1.14 -0.14 0.00 0.00 0.00 0.00 57.16 58.07 2cue n GLU 66 Cb 0.28 -2.03 -0.08 0.00 0.00 0.00 0.00 31.44 29.61 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 -0.41 -0.99 5.31 1.63 -1.55 -3.06 116.57 117.50 2cue h LYS 67 Ca 0.68 0.03 0.30 0.00 -0.85 0.00 0.00 60.65 60.81 2cue h LYS 67 Cb 1.78 0.09 -0.18 0.00 -0.60 0.00 0.00 32.23 33.32 2cue h LYS 67 CO -0.64 -0.12 0.15 -0.07 -3.45 0.00 0.00 179.45 175.31 2cue h LEU 68 N -0.67 -0.29 0.12 5.20 3.38 0.57 0.45 115.31 124.06 2cue h LEU 68 Ca -0.04 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2cue h LEU 68 Cb 0.47 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2cue h LEU 68 CO 0.07 -0.37 -0.11 -0.09 0.09 0.00 0.00 178.44 178.03 2cue h ARG 69 N 0.01 -0.24 -0.52 1.13 2.43 -1.40 -2.75 114.38 113.04 2cue h ARG 69 Ca 0.66 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.88 2cue h ARG 69 Cb 1.46 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.02 2cue h ARG 69 CO -0.89 -0.16 0.28 -0.97 -1.51 0.00 0.00 179.97 176.72 2cue h ASN 70 N -0.25 0.43 -0.90 -3.80 -0.73 -0.13 0.89 115.58 111.09 2cue h ASN 70 Ca 0.00 0.02 0.21 0.00 1.87 0.00 0.00 56.30 58.40 2cue h ASN 70 Cb 0.24 -0.06 -0.12 0.00 0.27 0.00 0.00 38.32 38.65 2cue h ASN 70 CO -0.03 0.30 0.41 1.56 -0.37 0.00 0.00 177.43 179.30 2cue h GLN 71 N 0.55 0.43 -0.25 6.67 1.08 -0.74 0.66 115.11 123.52 2cue h GLN 71 Ca 0.22 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.37 2cue h GLN 71 Cb 0.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2cue h GLN 71 CO -0.14 0.29 -0.01 0.54 -0.95 0.00 0.00 178.83 178.56 2cue n ARG 72 N -5.01 2.56 -1.29 1.46 1.74 -0.81 -5.05 116.66 110.27 2cue n ARG 72 Ca 0.22 -2.87 -0.50 0.00 -0.77 0.00 0.00 57.85 53.93 2cue n ARG 72 Cb 0.63 -1.81 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 2cue n ARG 72 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2cue n ARG 73 N -0.72 0.00 -0.28 5.56 3.00 0.30 -4.80 116.66 119.72 2cue n ARG 73 Ca 0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.98 2cue n ARG 73 Cb 0.89 -1.24 -0.09 0.00 0.00 0.00 0.00 32.46 32.02 2cue n ARG 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2cue h GLN 74 N 2.37 -0.11 -5.93 -0.14 4.20 -1.90 -3.40 115.11 110.20 2cue h GLN 74 Ca -0.42 0.01 -0.85 0.00 0.06 0.00 0.00 58.65 57.45 2cue h GLN 74 Cb 1.24 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2cue h GLN 74 CO 0.55 -0.07 0.78 0.43 -0.67 0.00 0.00 178.83 179.86 2cue n SER 75 N -4.94 1.12 0.00 1.46 7.64 -1.26 -4.73 113.62 112.91 2cue n SER 75 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2cue n SER 75 Cb 0.24 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 -0.69 3.56 0.23 0.00 -1.26 -5.03 105.19 106.51 2cue n GLY 76 Ca 0.35 0.46 -0.30 0.00 0.00 0.00 0.00 46.02 46.53 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 2.57 -1.13 1.61 0.04 -1.26 -3.22 135.00 133.60 2cue s PRO 77 Ca 0.00 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 60.95 2cue s PRO 77 Cb 0.00 -4.88 0.01 0.00 0.04 0.00 0.00 34.50 29.67 2cue s PRO 77 CO 0.00 -3.21 0.63 0.45 0.04 0.00 0.00 177.00 174.92 2cue n SER 78 N 13.66 -5.18 -3.82 6.66 2.88 -1.26 -5.01 113.62 121.54 2cue n SER 78 Ca 0.35 -0.29 -0.12 0.00 -1.33 0.00 0.00 58.87 57.48 2cue n SER 78 Cb 0.48 -3.93 -0.11 0.00 -0.75 0.00 0.00 64.21 59.90 2cue n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cue s SER 79 N -2.95 -0.11 0.00 -3.46 0.15 -1.20 -5.32 113.70 100.81 2cue s SER 79 Ca 0.31 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2cue s SER 79 Cb -0.14 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2cue s SER 79 CO 0.39 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.18