#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 1.94 -3.92 1.61 7.64 -1.26 -5.00 113.62 114.63 2cue n SER 2 Ca 0.00 0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 2cue n SER 2 Cb 0.00 -0.84 0.02 0.00 -1.01 0.00 0.00 64.21 62.37 2cue n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cue n SER 3 N -4.26 -3.84 -3.85 6.43 7.64 -1.26 -4.95 113.62 109.53 2cue n SER 3 Ca -0.49 -0.83 -0.30 0.00 1.01 0.00 0.00 58.87 58.26 2cue n SER 3 Cb 0.84 -3.73 -0.15 0.00 -1.01 0.00 0.00 64.21 60.17 2cue n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cue s GLY 4 N -3.52 1.57 -1.18 0.23 0.00 -1.26 -4.79 107.32 98.37 2cue s GLY 4 Ca 0.54 -2.23 -0.07 0.00 0.00 0.00 0.00 44.72 42.96 2cue s GLY 4 CO 0.84 1.31 1.02 1.44 0.00 0.00 0.00 173.10 177.72 2cue n SER 5 N 4.33 -5.34 0.33 1.64 7.64 -1.26 -4.93 113.62 116.02 2cue n SER 5 Ca 0.02 -0.48 -0.18 0.00 1.01 0.00 0.00 58.87 59.24 2cue n SER 5 Cb 0.40 -4.50 -0.09 0.00 -1.01 0.00 0.00 64.21 59.01 2cue n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2cue h SER 6 N -2.29 -1.20 0.00 6.43 0.87 -1.98 -3.48 113.55 111.90 2cue h SER 6 Ca -0.50 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2cue h SER 6 Cb 1.32 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 2cue h SER 6 CO 0.49 -0.65 0.00 0.61 -0.53 0.00 0.00 176.83 176.75 2cue n GLY 7 N -1.56 -0.64 2.87 5.77 0.00 -1.26 -5.16 105.19 105.21 2cue n GLY 7 Ca -0.12 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2cue n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cue s GLN 8 N -0.28 0.01 0.22 1.61 -0.21 -1.26 -5.16 119.66 114.58 2cue s GLN 8 Ca 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.40 2cue s GLN 8 Cb 0.00 -0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 2cue s GLN 8 CO 0.00 -0.03 0.43 1.03 -2.12 0.00 0.00 175.29 174.61 2cue s ARG 9 N 0.17 3.57 0.03 2.91 0.52 -1.26 -5.03 118.95 119.86 2cue s ARG 9 Ca -0.01 -0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2cue s ARG 9 Cb -0.02 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 2cue s ARG 9 CO -0.00 0.36 -0.05 0.09 0.02 0.00 0.00 175.30 175.71 2cue n ASN 10 N -0.62 0.99 -4.42 0.23 3.02 -1.26 -4.91 115.26 108.28 2cue n ASN 10 Ca -0.03 0.14 -0.45 0.00 -0.03 0.00 0.00 54.58 54.21 2cue n ASN 10 Cb 0.53 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 2cue n ASN 10 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2cue s ARG 11 N -2.12 3.62 -0.14 3.52 1.81 -1.26 -5.00 118.95 119.37 2cue s ARG 11 Ca -0.05 -1.96 -0.32 0.00 -1.72 0.00 0.00 55.73 51.68 2cue s ARG 11 Cb 0.01 -4.80 -0.10 0.00 -0.45 0.00 0.00 34.95 29.61 2cue s ARG 11 CO 0.07 -1.66 2.02 0.25 -0.68 0.00 0.00 175.30 175.31 2cue n THR 12 N 5.10 0.49 -0.08 0.02 -2.24 -1.26 -4.86 114.28 111.45 2cue n THR 12 Ca 0.22 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2cue n THR 12 Cb 0.48 -2.05 -0.02 0.00 -2.10 0.00 0.00 70.33 66.65 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 11.22 -0.96 -4.55 3.42 0.02 -2.03 -3.42 113.55 117.25 2cue h SER 13 Ca -0.44 0.17 -0.47 0.00 -0.84 0.00 0.00 61.79 60.21 2cue h SER 13 Cb 1.27 0.45 0.11 0.00 0.14 0.00 0.00 62.40 64.36 2cue h SER 13 CO 0.96 -0.31 0.40 -0.36 -1.14 0.00 0.00 176.83 176.38 2cue s PHE 14 N -6.03 2.85 0.16 3.45 0.08 -1.26 -5.09 117.98 112.14 2cue s PHE 14 Ca -0.15 0.75 0.09 0.00 0.12 0.00 0.00 56.93 57.75 2cue s PHE 14 Cb 0.13 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 2cue s PHE 14 CO 0.68 -1.89 -0.15 0.95 -0.10 0.00 0.00 175.22 174.71 2cue s THR 15 N -3.55 2.89 0.38 0.64 -4.23 -1.26 -4.98 115.64 105.53 2cue s THR 15 Ca 0.63 -1.70 0.16 0.00 -1.18 0.00 0.00 61.69 59.59 2cue s THR 15 Cb -0.11 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.70 2cue s THR 15 CO 0.50 -0.05 1.77 -0.61 -0.54 0.00 0.00 174.62 175.69 2cue h GLN 16 N 3.22 0.45 0.00 3.99 -0.00 -1.98 0.70 115.11 121.50 2cue h GLN 16 Ca -0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.14 2cue h GLN 16 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.57 2cue h GLN 16 CO 0.50 0.30 -0.01 0.93 0.00 0.00 0.00 178.83 180.55 2cue h GLU 17 N 0.47 0.00 0.03 1.69 5.08 -2.00 -1.26 114.58 118.58 2cue h GLU 17 Ca 0.59 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.65 2cue h GLU 17 Cb 1.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 2cue h GLU 17 CO -0.33 0.01 -1.69 1.04 -1.00 0.00 0.00 179.01 177.05 2cue n GLN 18 N -4.32 0.62 -0.23 2.33 6.02 0.22 -4.04 117.38 117.98 2cue n GLN 18 Ca -0.03 0.44 0.16 0.00 -0.01 0.00 0.00 57.00 57.55 2cue n GLN 18 Cb 0.10 -1.69 0.46 0.00 1.02 0.00 0.00 30.24 30.13 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 -0.70 0.76 -0.52 5.09 2.04 -0.67 0.40 117.51 123.91 2cue h ILE 19 Ca -0.43 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2cue h ILE 19 Cb 1.55 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2cue h ILE 19 CO -0.17 0.09 0.22 1.05 0.00 0.00 0.00 178.15 179.35 2cue h GLU 20 N 0.51 0.76 0.00 2.37 4.11 -1.41 0.12 114.58 121.05 2cue h GLU 20 Ca 0.44 -0.13 -0.18 0.00 0.07 0.00 0.00 59.36 59.56 2cue h GLU 20 Cb 0.92 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2cue h GLU 20 CO -0.17 0.66 -0.86 0.00 0.07 0.00 0.00 179.01 178.70 2cue h ALA 21 N 1.07 0.51 0.00 1.06 0.00 -1.25 -2.80 119.26 117.85 2cue h ALA 21 Ca 0.17 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 2cue h ALA 21 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2cue h ALA 21 CO -0.02 1.07 -0.41 -0.07 0.00 0.00 0.00 179.25 179.82 2cue h LEU 22 N 0.00 0.00 0.22 0.00 3.38 -0.04 -3.05 115.31 115.82 2cue h LEU 22 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 2cue h LEU 22 Cb 1.59 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.37 2cue h LEU 22 CO 0.11 0.41 -1.48 -0.33 0.09 0.00 0.00 178.44 177.25 2cue h GLU 23 N 0.00 0.47 -0.81 1.13 5.08 -0.76 -3.17 114.58 116.51 2cue h GLU 23 Ca -0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2cue h GLU 23 Cb 1.10 0.30 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 2cue h GLU 23 CO 0.05 1.38 0.53 -0.22 -1.00 0.00 0.00 179.01 179.75 2cue h LYS 24 N 0.06 1.08 0.00 2.33 3.64 -1.53 -0.46 116.57 121.68 2cue h LYS 24 Ca -0.27 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 2cue h LYS 24 Cb 2.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 2cue h LYS 24 CO 0.23 0.72 -0.47 1.49 -2.27 0.00 0.00 179.45 179.15 2cue h GLU 25 N 1.11 0.00 0.02 1.90 4.57 -1.63 -3.08 114.58 117.47 2cue h GLU 25 Ca 0.30 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.20 2cue h GLU 25 Cb -0.11 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2cue h GLU 25 CO -0.06 0.47 -1.09 0.35 -1.18 0.00 0.00 179.01 177.50 2cue h PHE 26 N 0.00 1.05 -0.31 0.92 3.04 -1.26 -1.41 116.94 118.97 2cue h PHE 26 Ca -0.00 -0.59 0.09 0.00 3.98 0.00 0.00 57.97 61.45 2cue h PHE 26 Cb 0.86 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 2cue h PHE 26 CO 0.00 1.42 0.22 0.93 -2.02 0.00 0.00 178.31 178.87 2cue h GLU 27 N 0.38 0.00 0.04 1.11 5.08 -1.04 -2.72 114.58 117.44 2cue h GLU 27 Ca -0.14 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.94 2cue h GLU 27 Cb 1.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 2cue h GLU 27 CO 0.21 0.00 -1.50 -0.09 -1.00 0.00 0.00 179.01 176.63 2cue h ARG 28 N 0.00 0.09 -3.20 2.33 2.43 -1.54 -3.48 114.38 111.01 2cue h ARG 28 Ca 0.15 -0.16 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 2cue h ARG 28 Cb 0.59 0.06 -0.32 0.00 -0.42 0.00 0.00 29.97 29.88 2cue h ARG 28 CO -0.00 1.08 -0.60 -0.08 -1.51 0.00 0.00 179.97 178.86 2cue s THR 29 N -2.43 -0.10 -0.81 0.20 -1.32 -0.54 -5.01 115.64 105.64 2cue s THR 29 Ca -0.26 0.22 0.25 0.00 -1.21 0.00 0.00 61.69 60.68 2cue s THR 29 Cb 0.06 -0.26 0.25 0.00 -1.51 0.00 0.00 72.50 71.04 2cue s THR 29 CO 0.65 0.09 1.78 1.41 -2.21 0.00 0.00 174.62 176.35 2cue n HIS 30 N 4.45 0.51 -3.61 9.09 8.25 -1.24 -3.81 115.22 128.87 2cue n HIS 30 Ca -0.22 0.16 -0.28 0.00 -0.26 0.00 0.00 57.72 57.13 2cue n HIS 30 Cb 0.51 -0.76 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 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 2.10 -0.64 4.41 2.02 -1.26 -4.97 117.35 115.92 2cue s TYR 31 Ca 0.10 -2.71 -0.26 0.00 -0.37 0.00 0.00 57.07 53.83 2cue s TYR 31 Cb 0.14 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2cue s TYR 31 CO 0.51 -0.72 1.87 -1.25 -1.57 0.00 0.00 175.55 174.39 2cue s PRO 32 N -0.49 2.62 1.00 -1.71 0.04 -1.26 -4.97 135.00 130.23 2cue s PRO 32 Ca 0.29 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 2cue s PRO 32 Cb -0.02 -4.45 0.11 0.00 0.04 0.00 0.00 34.50 30.19 2cue s PRO 32 CO -0.17 -2.79 0.05 -0.25 0.04 0.00 0.00 177.00 173.88 2cue n ASP 33 N 12.84 -2.81 -0.31 6.66 8.00 -1.26 -3.78 116.55 135.90 2cue n ASP 33 Ca 0.22 -0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.56 2cue n ASP 33 Cb 0.52 -0.76 0.34 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 -2.35 0.82 0.00 2.53 3.04 -1.98 0.39 116.25 118.69 2cue h VAL 34 Ca -0.31 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 2cue h VAL 34 Cb 0.91 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2cue h VAL 34 CO 0.20 0.14 -0.04 -0.26 -1.01 0.00 0.00 177.57 176.60 2cue h PHE 35 N 0.76 0.00 0.01 3.17 0.04 -2.00 -0.09 116.94 118.84 2cue h PHE 35 Ca 0.49 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.95 2cue h PHE 35 Cb 0.73 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 2cue h PHE 35 CO -0.00 0.04 -1.71 0.00 -0.60 0.00 0.00 178.31 176.04 2cue n ALA 36 N -2.19 0.92 -0.21 2.45 0.00 0.11 -3.59 120.51 118.00 2cue n ALA 36 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2cue n ALA 36 Cb 0.16 -0.39 0.23 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.84 0.99 0.48 0.00 3.08 -0.82 -0.68 114.38 116.58 2cue h ARG 37 Ca -0.46 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 2cue h ARG 37 Cb 1.49 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2cue h ARG 37 CO -0.23 0.67 -0.23 0.93 -1.07 0.00 0.00 179.97 180.05 2cue h GLU 38 N 1.01 -0.62 -0.80 0.04 5.08 -1.20 0.32 114.58 118.41 2cue h GLU 38 Ca 0.27 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.76 2cue h GLU 38 Cb -0.08 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2cue h GLU 38 CO -0.05 -0.32 0.45 0.00 -1.00 0.00 0.00 179.01 178.09 2cue h ARG 39 N -0.93 0.74 -0.33 2.33 3.08 -1.58 -1.76 114.38 115.93 2cue h ARG 39 Ca -0.07 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2cue h ARG 39 Cb 0.59 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2cue h ARG 39 CO 0.11 0.49 -0.44 1.25 -1.07 0.00 0.00 179.97 180.31 2cue h LEU 40 N 0.77 0.91 -1.29 3.04 5.85 -1.10 -2.61 115.31 120.87 2cue h LEU 40 Ca 0.38 -0.44 0.30 0.00 0.84 0.00 0.00 57.88 58.97 2cue h LEU 40 Cb 0.34 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.00 2cue h LEU 40 CO -0.24 1.21 0.69 0.00 -0.34 0.00 0.00 178.44 179.76 2cue h ALA 41 N 0.82 2.25 0.00 1.25 0.00 0.57 0.81 119.26 124.96 2cue h ALA 41 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cue h ALA 41 Cb 1.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2cue h ALA 41 CO 0.10 -0.73 -0.95 0.00 0.00 0.00 0.00 179.25 177.67 2cue n ALA 42 N -2.44 2.98 0.05 0.00 0.00 -1.15 0.21 120.51 120.15 2cue n ALA 42 Ca 0.29 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2cue n ALA 42 Cb 0.98 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.30 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 0.58 -0.11 0.00 3.64 0.93 -3.31 116.57 118.31 2cue h LYS 43 Ca 0.00 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2cue h LYS 43 Cb 0.82 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2cue h LYS 43 CO 0.00 1.22 0.00 0.44 -2.27 0.00 0.00 179.45 178.84 2cue n ILE 44 N -3.82 0.36 -3.36 2.00 -5.35 -0.05 -5.00 119.36 104.14 2cue n ILE 44 Ca -0.09 -0.68 -0.16 0.00 -0.27 0.00 0.00 62.75 61.55 2cue n ILE 44 Cb 0.84 0.94 0.09 0.00 -1.74 0.00 0.00 39.64 39.77 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 0.44 -2.07 -4.22 7.28 2.03 -0.71 -4.86 116.55 114.43 2cue n ASP 45 Ca 0.07 -0.59 -0.21 0.00 0.52 0.00 0.00 54.79 54.58 2cue n ASP 45 Cb 0.28 -4.90 -0.12 0.00 -0.72 0.00 0.00 41.12 35.66 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 -6.14 2.29 0.21 -2.67 1.43 0.13 -5.00 118.68 108.93 2cue s LEU 46 Ca 0.00 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2cue s LEU 46 Cb -0.00 -0.67 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 2cue s LEU 46 CO 0.69 -0.02 1.30 -2.16 0.23 0.00 0.00 176.35 176.39 2cue s PRO 47 N -1.83 4.40 0.61 1.29 0.04 -1.26 -4.33 135.00 133.92 2cue s PRO 47 Ca 0.02 2.05 0.18 0.00 0.04 0.00 0.00 61.00 63.29 2cue s PRO 47 Cb -0.10 -3.19 1.00 0.00 0.04 0.00 0.00 34.50 32.26 2cue s PRO 47 CO 0.03 -0.22 1.54 1.49 0.04 0.00 0.00 177.00 179.88 2cue h GLU 48 N 5.15 0.00 0.15 4.56 4.81 -1.92 0.55 114.58 127.88 2cue h GLU 48 Ca -0.45 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.47 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 0.76 0.00 -1.31 0.00 -0.73 0.00 0.00 179.01 177.73 2cue h ALA 49 N 0.89 -0.04 0.26 2.92 0.00 -1.96 -3.28 119.26 118.06 2cue h ALA 49 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2cue h ALA 49 Cb 1.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2cue h ALA 49 CO 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 2cue h ARG 50 N 0.24 -0.34 -0.73 0.00 2.47 -0.25 -2.99 114.38 112.78 2cue h ARG 50 Ca -0.20 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.69 2cue h ARG 50 Cb 1.98 0.08 -0.13 0.00 -1.65 0.00 0.00 29.97 30.25 2cue h ARG 50 CO 0.25 -0.17 -0.11 0.82 0.56 0.00 0.00 179.97 181.32 2cue h ILE 51 N -0.43 0.30 -0.98 2.04 2.04 -1.65 0.35 117.51 119.18 2cue h ILE 51 Ca -0.04 -0.01 0.20 0.00 1.00 0.00 0.00 64.86 66.01 2cue h ILE 51 Cb 0.33 0.26 -0.11 0.00 -0.74 0.00 0.00 36.82 36.56 2cue h ILE 51 CO 0.06 0.01 0.57 1.56 0.00 0.00 0.00 178.15 180.35 2cue h GLN 52 N 0.04 0.65 0.30 2.37 4.20 -1.58 -0.94 115.11 120.15 2cue h GLN 52 Ca 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 2cue h GLN 52 Cb 0.61 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2cue h GLN 52 CO -0.71 0.43 -0.14 0.28 -0.67 0.00 0.00 178.83 178.02 2cue h VAL 53 N 0.67 0.00 -1.21 -0.54 2.07 -0.32 -1.80 116.25 115.12 2cue h VAL 53 Ca 0.58 -0.47 0.43 0.00 0.82 0.00 0.00 66.70 68.07 2cue h VAL 53 Cb 0.96 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.58 2cue h VAL 53 CO -0.42 0.00 0.74 -0.25 0.02 0.00 0.00 177.57 177.66 2cue h TRP 54 N -0.87 0.65 0.03 1.57 7.01 -0.88 1.09 115.95 124.56 2cue h TRP 54 Ca -0.04 0.03 -0.27 0.00 2.11 0.00 0.00 58.89 60.72 2cue h TRP 54 Cb 0.31 -0.16 0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2cue h TRP 54 CO 0.02 -0.31 -1.09 0.74 -2.79 0.00 0.00 178.44 175.01 2cue h PHE 55 N 0.06 1.02 -0.15 2.65 -1.00 -1.22 -2.88 116.94 115.42 2cue h PHE 55 Ca 0.84 -0.58 0.03 0.00 2.81 0.00 0.00 57.97 61.08 2cue h PHE 55 Cb 2.47 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 41.89 2cue h PHE 55 CO -0.01 1.41 -0.06 1.03 -1.61 0.00 0.00 178.31 179.08 2cue h SER 56 N 0.36 -0.21 0.07 2.17 0.87 0.21 -1.25 113.55 115.78 2cue h SER 56 Ca -0.14 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 2cue h SER 56 Cb 1.75 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.82 2cue h SER 56 CO 0.21 -0.08 -0.18 0.78 -0.53 0.00 0.00 176.83 177.03 2cue h ASN 57 N -0.04 0.20 0.28 6.23 2.35 -1.33 -3.06 115.58 120.21 2cue h ASN 57 Ca 0.08 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2cue h ASN 57 Cb 0.16 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2cue h ASN 57 CO -0.18 0.40 -0.14 0.03 -1.65 0.00 0.00 177.43 175.89 2cue h ARG 58 N 0.20 -0.37 -0.94 0.81 2.47 -1.08 -2.78 114.38 112.68 2cue h ARG 58 Ca 0.04 0.03 0.28 0.00 -1.26 0.00 0.00 59.98 59.06 2cue h ARG 58 Cb 0.43 0.08 -0.15 0.00 -1.65 0.00 0.00 29.97 28.69 2cue h ARG 58 CO 0.03 -0.15 0.39 0.00 0.56 0.00 0.00 179.97 180.80 2cue h ARG 59 N -0.53 0.25 -0.03 0.04 3.08 -1.15 1.20 114.38 117.23 2cue h ARG 59 Ca -0.04 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2cue h ARG 59 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2cue h ARG 59 CO 0.06 0.16 -0.30 0.00 -1.07 0.00 0.00 179.97 178.83 2cue h ALA 60 N 1.82 1.46 0.00 0.04 0.00 -1.53 0.17 119.26 121.22 2cue h ALA 60 Ca 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2cue h ALA 60 Cb 1.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2cue h ALA 60 CO -0.64 0.40 -0.28 -0.22 0.00 0.00 0.00 179.25 178.50 2cue h LYS 61 N 0.04 0.00 0.10 0.00 3.64 0.16 -2.89 116.57 117.62 2cue h LYS 61 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.04 2cue h LYS 61 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2cue h LYS 61 CO 0.04 0.00 -1.92 1.87 -2.27 0.00 0.00 179.45 177.17 2cue n TRP 62 N -2.84 1.16 0.24 1.91 -0.00 0.47 -2.84 117.44 115.53 2cue n TRP 62 Ca 0.03 0.28 0.12 0.00 -0.00 0.00 0.00 57.50 57.93 2cue n TRP 62 Cb 0.52 -1.15 0.49 0.00 -0.00 0.00 0.00 31.31 31.18 2cue n TRP 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2cue h ARG 63 N -0.10 0.00 0.13 5.87 3.08 -0.80 -0.82 114.38 121.74 2cue h ARG 63 Ca -0.42 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.29 2cue h ARG 63 Cb 1.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.96 2cue h ARG 63 CO 0.03 0.16 -1.77 0.07 -1.07 0.00 0.00 179.97 177.39 2cue h ARG 64 N 0.00 0.28 -0.03 0.04 0.11 -1.66 -3.39 114.38 109.73 2cue h ARG 64 Ca -0.00 -0.48 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 2cue h ARG 64 Cb 0.71 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.97 2cue h ARG 64 CO 0.02 1.15 -0.18 0.93 0.10 0.00 0.00 179.97 181.99 2cue h GLU 65 N 0.08 0.18 -1.40 0.08 5.08 -1.46 -3.15 114.58 113.99 2cue h GLU 65 Ca -0.34 -0.15 0.46 0.00 -1.00 0.00 0.00 59.36 58.33 2cue h GLU 65 Cb 2.05 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 31.22 2cue h GLU 65 CO 0.14 0.82 0.93 -1.91 -1.00 0.00 0.00 179.01 177.98 2cue n GLU 66 N -4.58 -0.02 0.08 2.33 0.00 -0.32 0.18 120.64 118.31 2cue n GLU 66 Ca -0.09 1.11 -0.22 0.00 0.00 0.00 0.00 57.16 57.96 2cue n GLU 66 Cb 0.43 -2.26 -0.15 0.00 0.00 0.00 0.00 31.44 29.46 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 0.39 -0.65 5.31 1.57 -1.73 -2.74 116.57 118.71 2cue h LYS 67 Ca 0.82 -0.67 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2cue h LYS 67 Cb 2.81 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 35.33 2cue h LYS 67 CO -0.32 1.32 0.43 -0.07 -0.57 0.00 0.00 179.45 180.24 2cue h LEU 68 N -0.15 0.69 -0.02 2.94 3.38 0.19 0.20 115.31 122.54 2cue h LEU 68 Ca -0.22 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 2cue h LEU 68 Cb 1.88 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.48 2cue h LEU 68 CO 0.19 0.48 -0.55 0.03 0.09 0.00 0.00 178.44 178.68 2cue h ARG 69 N 0.80 0.41 0.04 1.13 3.08 -1.00 -3.09 114.38 115.75 2cue h ARG 69 Ca 0.26 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2cue h ARG 69 Cb 0.03 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2cue h ARG 69 CO -0.07 1.07 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.98 2cue h ASN 70 N -0.10 -0.05 -0.45 7.04 4.21 -1.14 -2.50 115.58 122.59 2cue h ASN 70 Ca -0.06 -0.16 0.13 0.00 1.21 0.00 0.00 56.30 57.42 2cue h ASN 70 Cb 1.25 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.45 2cue h ASN 70 CO 0.11 0.13 0.38 0.06 -1.29 0.00 0.00 177.43 176.82 2cue h GLN 71 N -0.22 0.00 -0.05 0.81 3.07 -0.73 0.22 115.11 118.21 2cue h GLN 71 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.66 2cue h GLN 71 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 2cue h GLN 71 CO 0.01 0.00 -0.32 -0.09 0.09 0.00 0.00 178.83 178.52 2cue h ARG 72 N 0.00 0.08 -5.15 0.06 2.43 -1.36 -3.45 114.38 107.00 2cue h ARG 72 Ca 0.21 -0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.77 2cue h ARG 72 Cb 0.98 -0.01 0.09 0.00 -0.42 0.00 0.00 29.97 30.61 2cue h ARG 72 CO -0.00 0.40 -0.40 2.89 -1.51 0.00 0.00 179.97 181.35 2cue n ARG 73 N -4.14 0.00 -4.37 0.20 1.85 0.76 -4.97 116.66 105.99 2cue n ARG 73 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.64 2cue n ARG 73 Cb 0.38 -0.91 -0.10 0.00 -1.05 0.00 0.00 32.46 30.78 2cue n ARG 73 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2cue s GLN 74 N -0.76 1.41 0.04 2.89 -2.07 -1.26 -5.06 119.66 114.84 2cue s GLN 74 Ca 0.58 -1.69 -0.24 0.00 -1.82 0.00 0.00 55.36 52.19 2cue s GLN 74 Cb -0.83 -1.00 -0.17 0.00 -1.09 0.00 0.00 33.01 29.92 2cue s GLN 74 CO 0.48 0.05 1.52 0.66 -1.32 0.00 0.00 175.29 176.68 2cue h SER 75 N 2.43 0.01 0.00 12.60 4.64 -2.02 -3.48 113.55 127.73 2cue h SER 75 Ca -0.39 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2cue h SER 75 Cb 1.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2cue h SER 75 CO 0.65 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 2cue n GLY 76 N -0.47 -2.19 3.65 -0.77 0.00 -1.26 -5.12 105.19 99.04 2cue n GLY 76 Ca -0.08 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 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 4.09 0.58 1.61 0.04 -1.26 -4.99 135.00 135.07 2cue s PRO 77 Ca 0.00 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2cue s PRO 77 Cb 0.00 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2cue s PRO 77 CO 0.00 -0.93 1.19 -1.12 0.04 0.00 0.00 177.00 176.18 2cue s SER 78 N 3.23 5.31 -0.11 6.66 0.01 -1.26 -4.99 113.70 122.56 2cue s SER 78 Ca 0.68 2.34 -0.02 0.00 1.31 0.00 0.00 55.95 60.27 2cue s SER 78 Cb -0.28 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.35 2cue s SER 78 CO 0.26 -1.51 -0.02 -1.28 0.41 0.00 0.00 173.24 171.10 2cue h SER 79 N 0.97 0.00 0.00 2.44 0.87 -2.05 -3.54 113.55 112.24 2cue h SER 79 Ca -0.50 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2cue h SER 79 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2cue h SER 79 CO 0.56 0.54 0.00 0.61 -0.53 0.00 0.00 176.83 178.01