#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 4.71 0.87 1.61 1.04 -1.26 -4.94 113.70 115.73 2cue s SER 2 Ca 0.00 -0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2cue s SER 2 Cb 0.00 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.69 2cue s SER 2 CO 0.00 -3.09 1.19 -0.94 0.98 0.00 0.00 173.24 171.38 2cue s SER 3 N 9.19 3.91 -0.45 7.02 1.04 -1.26 -5.06 113.70 128.09 2cue s SER 3 Ca 0.79 0.76 0.07 0.00 0.48 0.00 0.00 55.95 58.04 2cue s SER 3 Cb -0.10 -1.20 0.26 0.00 0.10 0.00 0.00 66.02 65.07 2cue s SER 3 CO 0.05 -2.28 0.81 0.61 0.98 0.00 0.00 173.24 173.41 2cue n GLY 4 N -2.98 1.05 3.49 7.32 0.00 -1.26 -5.08 105.19 107.72 2cue n GLY 4 Ca 0.09 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2cue n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cue s SER 5 N -1.55 6.31 -0.08 1.61 0.01 -1.26 -5.00 113.70 113.75 2cue s SER 5 Ca 0.32 -1.17 0.02 0.00 1.31 0.00 0.00 55.95 56.43 2cue s SER 5 Cb 0.23 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 2cue s SER 5 CO -0.18 -1.46 -0.12 -0.44 0.41 0.00 0.00 173.24 171.46 2cue s SER 6 N 3.88 4.21 0.00 2.44 0.01 -1.26 -4.96 113.70 118.03 2cue s SER 6 Ca 0.31 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2cue s SER 6 Cb -0.10 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 64.98 2cue s SER 6 CO 0.04 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2cue n GLY 7 N 2.64 0.93 3.08 3.44 0.00 -1.26 -5.08 105.19 108.94 2cue n GLY 7 Ca -0.18 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.28 1.90 0.01 1.61 0.74 -1.26 -5.06 119.66 117.32 2cue s GLN 8 Ca 0.00 -1.92 -0.28 0.00 0.05 0.00 0.00 55.36 53.22 2cue s GLN 8 Cb 0.00 -3.48 0.09 0.00 1.10 0.00 0.00 33.01 30.72 2cue s GLN 8 CO 0.00 -1.05 0.80 0.50 -0.55 0.00 0.00 175.29 174.99 2cue s ARG 9 N 0.94 0.94 -0.12 1.67 3.52 -1.26 -5.16 118.95 119.48 2cue s ARG 9 Ca 0.10 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 2cue s ARG 9 Cb -0.22 0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2cue s ARG 9 CO -0.05 -0.38 -0.15 1.21 -0.81 0.00 0.00 175.30 175.11 2cue s ASN 10 N -2.17 3.83 -0.35 -2.12 2.47 -1.26 -5.09 114.94 110.25 2cue s ASN 10 Ca 0.01 -0.37 0.01 0.00 0.42 0.00 0.00 52.86 52.92 2cue s ASN 10 Cb -0.01 -1.57 0.11 0.00 -1.45 0.00 0.00 41.25 38.33 2cue s ASN 10 CO -0.06 0.16 0.13 -0.60 -3.72 0.00 0.00 177.10 173.02 2cue s ARG 11 N 0.34 1.00 -0.11 0.43 6.06 -1.26 -5.00 118.95 120.41 2cue s ARG 11 Ca -0.13 -1.47 -0.03 0.00 -2.50 0.00 0.00 55.73 51.60 2cue s ARG 11 Cb -0.16 -2.27 -0.06 0.00 0.06 0.00 0.00 34.95 32.51 2cue s ARG 11 CO 0.06 -1.03 2.74 0.25 -2.50 0.00 0.00 175.30 174.82 2cue n THR 12 N 4.37 2.69 -0.10 4.11 -2.24 -1.26 -4.52 114.28 117.33 2cue n THR 12 Ca 0.02 -1.42 -0.07 0.00 -2.27 0.00 0.00 64.05 60.30 2cue n THR 12 Cb 0.40 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2cue n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2cue h SER 13 N 2.13 0.26 -3.65 3.42 0.02 -2.06 -3.43 113.55 110.24 2cue h SER 13 Ca 0.17 0.01 -0.46 0.00 -0.84 0.00 0.00 61.79 60.68 2cue h SER 13 Cb 1.14 -0.04 0.19 0.00 0.14 0.00 0.00 62.40 63.84 2cue h SER 13 CO 0.33 0.19 0.11 -0.36 -1.14 0.00 0.00 176.83 175.96 2cue s PHE 14 N -6.16 1.62 0.18 3.45 0.40 -1.26 -5.05 117.98 111.16 2cue s PHE 14 Ca -0.13 1.29 0.08 0.00 -0.60 0.00 0.00 56.93 57.58 2cue s PHE 14 Cb 0.11 -3.17 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 2cue s PHE 14 CO 0.71 -3.35 -0.07 0.95 0.70 0.00 0.00 175.22 174.17 2cue s THR 15 N -2.62 3.37 0.52 0.64 -4.23 -1.26 -4.99 115.64 107.07 2cue s THR 15 Ca 0.67 -1.57 0.29 0.00 -1.18 0.00 0.00 61.69 59.90 2cue s THR 15 Cb -0.23 -2.67 0.45 0.00 1.34 0.00 0.00 72.50 71.39 2cue s THR 15 CO 0.61 -0.10 1.91 -0.61 -0.54 0.00 0.00 174.62 175.89 2cue h GLN 16 N 2.87 0.05 0.00 3.99 4.15 -1.96 0.62 115.11 124.83 2cue h GLN 16 Ca -0.47 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.90 2cue h GLN 16 Cb 1.20 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2cue h GLN 16 CO 0.55 0.03 -0.25 0.93 -1.93 0.00 0.00 178.83 178.17 2cue h GLU 17 N 0.05 0.00 0.03 1.69 3.07 -2.01 -2.43 114.58 114.98 2cue h GLU 17 Ca 0.39 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.90 2cue h GLU 17 Cb 1.49 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.35 2cue h GLU 17 CO -0.02 0.25 -2.09 1.04 -1.40 0.00 0.00 179.01 176.79 2cue n GLN 18 N -3.67 0.68 0.09 2.33 6.02 0.19 -4.18 117.38 118.84 2cue n GLN 18 Ca -0.01 0.19 0.02 0.00 -0.01 0.00 0.00 57.00 57.19 2cue n GLN 18 Cb 0.36 -1.66 0.38 0.00 1.02 0.00 0.00 30.24 30.35 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 0.02 1.17 -0.48 5.09 2.04 -0.77 0.76 117.51 125.34 2cue h ILE 19 Ca -0.44 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 2cue h ILE 19 Cb 2.06 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2cue h ILE 19 CO 0.04 0.23 0.16 1.05 0.00 0.00 0.00 178.15 179.63 2cue h GLU 20 N 0.30 0.73 0.02 2.37 4.11 -1.61 -0.45 114.58 120.06 2cue h GLU 20 Ca 0.07 -0.15 -0.21 0.00 0.07 0.00 0.00 59.36 59.14 2cue h GLU 20 Cb 0.31 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2cue h GLU 20 CO 0.01 0.68 -0.97 0.00 0.07 0.00 0.00 179.01 178.81 2cue h ALA 21 N 1.01 0.42 0.00 1.06 0.00 -1.65 -2.85 119.26 117.25 2cue h ALA 21 Ca 0.16 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2cue h ALA 21 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2cue h ALA 21 CO -0.01 1.07 -0.17 -0.07 0.00 0.00 0.00 179.25 180.07 2cue h LEU 22 N 0.04 0.00 0.07 0.00 3.38 -0.68 -2.97 115.31 115.14 2cue h LEU 22 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2cue h LEU 22 Cb 1.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 2cue h LEU 22 CO 0.14 0.17 -0.81 -0.33 0.09 0.00 0.00 178.44 177.70 2cue h GLU 23 N 0.00 0.15 -1.00 1.13 5.08 -1.06 -3.19 114.58 115.68 2cue h GLU 23 Ca -0.00 -0.25 0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2cue h GLU 23 Cb 0.74 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 2cue h GLU 23 CO 0.02 1.12 0.63 -0.22 -1.00 0.00 0.00 179.01 179.57 2cue h LYS 24 N -0.64 0.96 0.00 2.33 3.64 -1.51 0.13 116.57 121.48 2cue h LYS 24 Ca -0.18 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 2cue h LYS 24 Cb 1.43 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2cue h LYS 24 CO 0.02 0.64 -0.42 1.49 -2.27 0.00 0.00 179.45 178.91 2cue h GLU 25 N 0.99 0.00 0.07 1.90 4.57 -1.65 -3.05 114.58 117.40 2cue h GLU 25 Ca 0.50 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.40 2cue h GLU 25 Cb 0.50 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2cue h GLU 25 CO -0.26 0.42 -1.13 0.35 -1.18 0.00 0.00 179.01 177.21 2cue h PHE 26 N 0.00 1.00 -0.34 0.92 3.04 -0.85 -1.56 116.94 119.15 2cue h PHE 26 Ca -0.00 -0.59 0.10 0.00 3.98 0.00 0.00 57.97 61.45 2cue h PHE 26 Cb 0.79 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 2cue h PHE 26 CO 0.00 1.43 0.24 0.93 -2.02 0.00 0.00 178.31 178.90 2cue h GLU 27 N 0.29 0.00 0.05 1.11 5.08 -0.81 -2.65 114.58 117.65 2cue h GLU 27 Ca -0.16 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.92 2cue h GLU 27 Cb 1.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.02 2cue h GLU 27 CO 0.22 0.00 -1.52 -0.09 -1.00 0.00 0.00 179.01 176.61 2cue h ARG 28 N 0.00 0.11 -3.11 2.33 2.43 -1.55 -3.47 114.38 111.11 2cue h ARG 28 Ca 0.16 -0.19 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 2cue h ARG 28 Cb 0.65 0.07 -0.32 0.00 -0.42 0.00 0.00 29.97 29.95 2cue h ARG 28 CO -0.00 1.09 -0.57 -0.08 -1.51 0.00 0.00 179.97 178.90 2cue s THR 29 N -2.44 -0.13 -0.81 0.20 -1.32 -0.59 -5.01 115.64 105.55 2cue s THR 29 Ca -0.26 0.21 0.25 0.00 -1.21 0.00 0.00 61.69 60.68 2cue s THR 29 Cb 0.06 -0.31 0.24 0.00 -1.51 0.00 0.00 72.50 70.98 2cue s THR 29 CO 0.67 0.09 1.76 1.41 -2.21 0.00 0.00 174.62 176.34 2cue n HIS 30 N 4.54 0.48 -3.56 9.09 8.25 -1.23 -3.83 115.22 128.96 2cue n HIS 30 Ca -0.20 0.16 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 2cue n HIS 30 Cb 0.51 -0.75 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 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 -3.10 1.89 -0.39 4.41 2.02 -1.26 -4.94 117.35 115.98 2cue s TYR 31 Ca 0.10 -2.64 -0.28 0.00 -0.37 0.00 0.00 57.07 53.88 2cue s TYR 31 Cb 0.13 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2cue s TYR 31 CO 0.49 -0.74 1.72 -1.25 -1.57 0.00 0.00 175.55 174.20 2cue s PRO 32 N -0.39 3.27 0.63 -1.71 0.04 -1.26 -4.99 135.00 130.58 2cue s PRO 32 Ca 0.30 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 2cue s PRO 32 Cb -0.00 -4.19 0.14 0.00 0.04 0.00 0.00 34.50 30.49 2cue s PRO 32 CO -0.18 -1.94 0.33 -0.25 0.04 0.00 0.00 177.00 175.00 2cue n ASP 33 N 10.37 -2.57 -0.35 6.66 9.92 -1.26 -4.03 116.55 135.29 2cue n ASP 33 Ca 0.21 -0.33 -0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2cue n ASP 33 Cb 0.48 -0.44 0.13 0.00 -0.64 0.00 0.00 41.12 40.65 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 -2.50 1.15 0.00 2.53 3.04 -1.98 0.19 116.25 118.68 2cue h VAL 34 Ca -0.15 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 2cue h VAL 34 Cb 0.50 -0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2cue h VAL 34 CO 0.09 0.22 -0.03 -0.26 -1.01 0.00 0.00 177.57 176.57 2cue h PHE 35 N 1.18 0.00 0.00 3.17 0.04 -1.99 0.16 116.94 119.50 2cue h PHE 35 Ca 0.38 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.01 2cue h PHE 35 Cb 0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2cue h PHE 35 CO -0.01 0.03 -0.93 0.00 -0.60 0.00 0.00 178.31 176.80 2cue h ALA 36 N 1.97 0.16 -0.94 2.45 0.00 -1.32 -3.22 119.26 118.37 2cue h ALA 36 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2cue h ALA 36 Cb 0.15 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2cue h ALA 36 CO 0.00 0.60 0.55 0.00 0.00 0.00 0.00 179.25 180.40 2cue h ARG 37 N -1.00 1.28 0.29 0.00 3.08 -0.94 0.64 114.38 117.73 2cue h ARG 37 Ca -0.21 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 2cue h ARG 37 Cb 0.98 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2cue h ARG 37 CO -0.13 0.91 -0.14 0.93 -1.07 0.00 0.00 179.97 180.47 2cue h GLU 38 N 1.30 -0.37 -0.66 0.04 5.08 -0.88 0.43 114.58 119.52 2cue h GLU 38 Ca 0.33 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 2cue h GLU 38 Cb -0.03 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2cue h GLU 38 CO -0.06 -0.16 0.37 0.00 -1.00 0.00 0.00 179.01 178.16 2cue h ARG 39 N -0.52 0.92 -0.43 2.33 2.47 -1.53 -2.65 114.38 114.98 2cue h ARG 39 Ca -0.04 -0.10 -0.11 0.00 -1.26 0.00 0.00 59.98 58.46 2cue h ARG 39 Cb 0.39 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2cue h ARG 39 CO 0.06 0.69 -0.19 1.25 0.56 0.00 0.00 179.97 182.34 2cue h LEU 40 N 0.90 0.85 -1.47 3.04 5.85 -0.79 -2.80 115.31 120.89 2cue h LEU 40 Ca 0.23 -0.30 0.32 0.00 0.84 0.00 0.00 57.88 58.98 2cue h LEU 40 Cb 0.03 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.73 2cue h LEU 40 CO -0.04 1.02 0.75 0.00 -0.34 0.00 0.00 178.44 179.83 2cue h ALA 41 N 1.04 2.49 0.00 1.25 0.00 0.25 0.92 119.26 125.21 2cue h ALA 41 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cue h ALA 41 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cue h ALA 41 CO 0.06 -0.95 -0.95 0.00 0.00 0.00 0.00 179.25 177.41 2cue n ALA 42 N -2.53 2.77 0.11 0.00 0.00 -1.10 0.21 120.51 119.97 2cue n ALA 42 Ca 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2cue n ALA 42 Cb 1.08 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 19.53 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 0.04 0.00 0.00 1.63 0.11 -3.29 116.57 115.05 2cue h LYS 43 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2cue h LYS 43 Cb 0.90 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2cue h LYS 43 CO 0.00 0.73 0.00 0.44 -3.45 0.00 0.00 179.45 177.17 2cue n ILE 44 N -3.72 0.27 -3.42 2.00 -5.35 -0.45 -5.01 119.36 103.68 2cue n ILE 44 Ca -0.01 -0.58 -0.18 0.00 -0.27 0.00 0.00 62.75 61.71 2cue n ILE 44 Cb 0.69 0.95 0.08 0.00 -1.74 0.00 0.00 39.64 39.62 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 -0.14 -3.09 -4.30 7.28 2.03 -0.31 -4.90 116.55 113.12 2cue n ASP 45 Ca 0.00 -0.58 -0.25 0.00 0.52 0.00 0.00 54.79 54.49 2cue n ASP 45 Cb 0.11 -4.92 -0.13 0.00 -0.72 0.00 0.00 41.12 35.47 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 -6.40 2.31 0.22 -2.67 1.43 0.13 -5.00 118.68 108.70 2cue s LEU 46 Ca 0.14 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 2cue s LEU 46 Cb -0.06 -0.93 -0.09 0.00 0.03 0.00 0.00 46.19 45.14 2cue s LEU 46 CO 0.70 0.07 1.28 -2.16 0.23 0.00 0.00 176.35 176.48 2cue s PRO 47 N -1.95 4.41 0.66 1.29 0.04 -1.26 -4.33 135.00 133.86 2cue s PRO 47 Ca 0.08 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.35 2cue s PRO 47 Cb -0.10 -3.18 0.99 0.00 0.04 0.00 0.00 34.50 32.25 2cue s PRO 47 CO 0.05 -0.20 1.56 1.49 0.04 0.00 0.00 177.00 179.94 2cue h GLU 48 N 4.95 0.00 0.11 4.56 4.81 -1.93 0.60 114.58 127.68 2cue h GLU 48 Ca -0.45 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.50 2cue h GLU 48 Cb 1.22 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.62 2cue h GLU 48 CO 0.74 0.00 -1.16 0.00 -0.73 0.00 0.00 179.01 177.86 2cue h ALA 49 N 0.81 -0.01 0.30 2.92 0.00 -1.96 -3.27 119.26 118.05 2cue h ALA 49 Ca 0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 2cue h ALA 49 Cb 1.26 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cue h ALA 49 CO -0.00 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.74 2cue h ARG 50 N 0.21 -0.38 -0.69 0.00 2.47 -0.15 -2.95 114.38 112.88 2cue h ARG 50 Ca -0.18 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.71 2cue h ARG 50 Cb 1.85 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 30.12 2cue h ARG 50 CO 0.22 -0.25 -0.18 0.82 0.56 0.00 0.00 179.97 181.15 2cue h ILE 51 N -0.42 0.30 -0.83 2.04 2.04 -1.64 0.21 117.51 119.21 2cue h ILE 51 Ca -0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.01 2cue h ILE 51 Cb 0.32 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 36.58 2cue h ILE 51 CO 0.07 0.00 0.31 1.56 0.00 0.00 0.00 178.15 180.09 2cue h GLN 52 N -0.01 0.36 0.45 2.37 4.20 -1.57 -0.74 115.11 120.18 2cue h GLN 52 Ca 0.33 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 2cue h GLN 52 Cb 0.51 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2cue h GLN 52 CO -0.71 0.24 -0.22 0.28 -0.67 0.00 0.00 178.83 177.75 2cue h VAL 53 N 0.38 0.00 -0.99 -0.54 2.07 -0.56 -1.37 116.25 115.24 2cue h VAL 53 Ca 0.49 -0.27 0.33 0.00 0.82 0.00 0.00 66.70 68.07 2cue h VAL 53 Cb 0.87 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.47 2cue h VAL 53 CO -0.50 0.00 0.26 -0.25 0.02 0.00 0.00 177.57 177.09 2cue h TRP 54 N -0.87 0.35 -0.29 1.57 7.01 -0.88 0.75 115.95 123.59 2cue h TRP 54 Ca -0.06 0.06 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 2cue h TRP 54 Cb 0.46 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2cue h TRP 54 CO 0.04 -0.43 -0.24 0.74 -2.79 0.00 0.00 178.44 175.77 2cue h PHE 55 N 0.03 0.81 -0.15 2.65 -1.00 -1.15 -2.43 116.94 115.70 2cue h PHE 55 Ca 0.70 -0.23 0.05 0.00 2.81 0.00 0.00 57.97 61.29 2cue h PHE 55 Cb 1.63 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 40.96 2cue h PHE 55 CO -0.28 0.96 -0.17 1.03 -1.61 0.00 0.00 178.31 178.24 2cue h SER 56 N 0.43 -0.53 -0.84 2.17 0.87 0.17 -1.79 113.55 114.02 2cue h SER 56 Ca 0.05 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2cue h SER 56 Cb 0.80 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 2cue h SER 56 CO 0.06 -0.22 0.47 0.78 -0.53 0.00 0.00 176.83 177.39 2cue h ASN 57 N -0.20 1.04 -0.05 6.23 2.35 -1.23 -2.99 115.58 120.72 2cue h ASN 57 Ca 0.10 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2cue h ASN 57 Cb 0.36 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 2cue h ASN 57 CO -0.27 0.83 -0.31 0.03 -1.65 0.00 0.00 177.43 176.06 2cue h ARG 58 N 1.16 -0.41 -1.00 0.81 2.47 -0.85 -1.35 114.38 115.21 2cue h ARG 58 Ca 0.30 0.03 0.38 0.00 -1.26 0.00 0.00 59.98 59.43 2cue h ARG 58 Cb 0.02 0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 28.25 2cue h ARG 58 CO -0.05 -0.28 0.44 0.00 0.56 0.00 0.00 179.97 180.64 2cue h ARG 59 N -0.43 0.02 -0.64 0.04 3.08 -1.19 1.35 114.38 116.61 2cue h ARG 59 Ca 0.07 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2cue h ARG 59 Cb 0.54 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2cue h ARG 59 CO -0.29 0.01 0.16 0.00 -1.07 0.00 0.00 179.97 178.78 2cue h ALA 60 N 1.99 0.85 -0.06 0.04 0.00 -1.31 0.17 119.26 120.93 2cue h ALA 60 Ca 0.79 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 55.30 2cue h ALA 60 Cb 2.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2cue h ALA 60 CO -0.79 0.56 -0.69 -0.22 0.00 0.00 0.00 179.25 178.10 2cue h LYS 61 N 0.95 0.30 -0.11 0.00 3.64 0.18 -1.66 116.57 119.87 2cue h LYS 61 Ca 0.20 -0.24 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2cue h LYS 61 Cb 0.36 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2cue h LYS 61 CO 0.00 0.88 -0.56 2.35 -2.27 0.00 0.00 179.45 179.85 2cue h TRP 62 N 0.21 0.77 0.00 1.91 7.01 -0.20 0.19 115.95 125.84 2cue h TRP 62 Ca -0.02 -0.34 -0.09 0.00 2.11 0.00 0.00 58.89 60.54 2cue h TRP 62 Cb 1.25 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 2cue h TRP 62 CO 0.03 1.13 -0.44 0.00 -2.79 0.00 0.00 178.44 176.37 2cue h ARG 63 N 0.19 0.00 0.13 2.65 3.08 -0.69 -0.51 114.38 119.23 2cue h ARG 63 Ca -0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.69 2cue h ARG 63 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2cue h ARG 63 CO 0.12 0.44 -1.65 0.07 -1.07 0.00 0.00 179.97 177.88 2cue h ARG 64 N 0.00 0.27 -0.04 0.04 0.11 -1.29 -3.38 114.38 110.09 2cue h ARG 64 Ca -0.00 -0.46 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 2cue h ARG 64 Cb 0.87 0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2cue h ARG 64 CO 0.06 1.13 -0.10 0.93 0.10 0.00 0.00 179.97 182.09 2cue h GLU 65 N 0.07 0.14 -1.27 0.08 5.08 -0.56 -3.16 114.58 114.96 2cue h GLU 65 Ca -0.29 -0.09 0.42 0.00 -1.00 0.00 0.00 59.36 58.40 2cue h GLU 65 Cb 2.04 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 31.19 2cue h GLU 65 CO 0.15 0.69 0.84 -1.91 -1.00 0.00 0.00 179.01 177.78 2cue n GLU 66 N -4.68 -0.02 0.01 2.33 0.00 -0.20 0.16 120.64 118.24 2cue n GLU 66 Ca -0.08 1.04 -0.18 0.00 0.00 0.00 0.00 57.16 57.94 2cue n GLU 66 Cb 0.35 -2.11 -0.14 0.00 0.00 0.00 0.00 31.44 29.55 2cue n GLU 66 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2cue h LYS 67 N 0.00 0.22 -0.52 5.31 6.56 -1.73 -3.17 116.57 123.24 2cue h LYS 67 Ca 0.76 -0.35 0.02 0.00 -1.06 0.00 0.00 60.65 60.01 2cue h LYS 67 Cb 2.57 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 34.33 2cue h LYS 67 CO -0.32 1.15 0.34 -0.07 -2.06 0.00 0.00 179.45 178.49 2cue h LEU 68 N -0.52 0.55 -1.05 2.94 3.38 0.16 -1.21 115.31 119.55 2cue h LEU 68 Ca -0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2cue h LEU 68 Cb 1.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2cue h LEU 68 CO 0.10 0.39 -0.34 -0.09 0.09 0.00 0.00 178.44 178.59 2cue h ARG 69 N 0.64 0.24 0.00 1.13 1.12 -0.76 -2.09 114.38 114.66 2cue h ARG 69 Ca 0.20 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 2cue h ARG 69 Cb 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2cue h ARG 69 CO -0.05 0.56 0.00 -1.71 -3.11 0.00 0.00 179.97 175.66 2cue n ASN 70 N -4.09 0.00 0.02 -3.80 2.85 -0.47 -2.55 115.26 107.22 2cue n ASN 70 Ca -0.01 -0.01 0.13 0.00 -0.11 0.00 0.00 54.58 54.57 2cue n ASN 70 Cb 0.43 -0.30 0.37 0.00 1.24 0.00 0.00 39.78 41.52 2cue n ASN 70 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cue n GLN 71 N -1.30 0.08 -0.50 1.20 6.02 -0.78 -3.43 117.38 118.67 2cue n GLN 71 Ca 0.11 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 2cue n GLN 71 Cb 0.19 -1.57 0.29 0.00 1.02 0.00 0.00 30.24 30.18 2cue n GLN 71 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2cue n ARG 72 N -1.70 3.18 -3.53 -1.09 3.00 -1.06 -4.92 116.66 110.55 2cue n ARG 72 Ca 0.06 -2.31 -0.22 0.00 -0.01 0.00 0.00 57.85 55.37 2cue n ARG 72 Cb 0.37 -1.76 0.08 0.00 0.00 0.00 0.00 32.46 31.14 2cue n ARG 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2cue n ARG 73 N 0.89 -7.48 -0.11 5.56 3.00 -1.22 -4.93 116.66 112.36 2cue n ARG 73 Ca 0.21 0.82 -0.24 0.00 -0.01 0.00 0.00 57.85 58.63 2cue n ARG 73 Cb 0.74 -5.83 -0.11 0.00 0.00 0.00 0.00 32.46 27.25 2cue n ARG 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2cue n GLN 74 N -4.69 0.59 -4.26 5.56 7.27 -1.26 -4.97 117.38 115.61 2cue n GLN 74 Ca -0.08 0.48 -0.29 0.00 0.07 0.00 0.00 57.00 57.18 2cue n GLN 74 Cb 0.59 -1.68 -0.10 0.00 2.41 0.00 0.00 30.24 31.46 2cue n GLN 74 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2cue s SER 75 N -7.01 4.21 0.44 1.69 0.01 -1.26 -5.09 113.70 106.68 2cue s SER 75 Ca -0.31 -0.49 -0.22 0.00 1.31 0.00 0.00 55.95 56.25 2cue s SER 75 Cb 0.08 -0.72 -0.13 0.00 0.21 0.00 0.00 66.02 65.47 2cue s SER 75 CO 0.58 0.16 0.47 0.61 0.41 0.00 0.00 173.24 175.47 2cue n GLY 76 N 0.55 -1.69 3.66 3.44 0.00 -1.26 -4.94 105.19 104.94 2cue n GLY 76 Ca -0.13 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.55 0.06 -0.29 1.61 0.04 -1.26 -5.09 135.00 128.52 2cue s PRO 77 Ca 0.63 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 2cue s PRO 77 Cb -0.59 -1.70 0.17 0.00 0.04 0.00 0.00 34.50 32.42 2cue s PRO 77 CO 0.58 -2.95 1.30 0.45 0.04 0.00 0.00 177.00 176.42 2cue s SER 78 N -3.51 -0.19 -1.67 6.66 0.15 -1.26 -4.98 113.70 108.90 2cue s SER 78 Ca 0.66 0.37 -0.14 0.00 0.70 0.00 0.00 55.95 57.54 2cue s SER 78 Cb -0.17 0.39 0.13 0.00 -1.71 0.00 0.00 66.02 64.66 2cue s SER 78 CO 0.58 -0.06 0.60 -1.54 1.20 0.00 0.00 173.24 174.02 2cue n SER 79 N 1.85 -2.05 0.00 5.45 3.41 -1.26 -5.25 113.62 115.77 2cue n SER 79 Ca -0.11 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 2cue n SER 79 Cb 0.57 -2.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.03 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49