#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 5.49 0.03 1.61 0.15 -1.26 -5.12 113.70 114.60 2cue s SER 2 Ca 0.00 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 2cue s SER 2 Cb 0.00 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 2cue s SER 2 CO 0.00 -0.57 0.16 -0.44 1.20 0.00 0.00 173.24 173.59 2cue s SER 3 N -4.18 6.12 0.00 5.45 0.01 -1.26 -5.05 113.70 114.79 2cue s SER 3 Ca 0.48 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2cue s SER 3 Cb -0.07 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2cue s SER 3 CO 0.30 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2cue n GLY 4 N 0.64 2.97 3.71 3.44 0.00 -1.26 -5.17 105.19 109.52 2cue n GLY 4 Ca -0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2cue n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cue s SER 5 N 0.00 4.93 -0.19 1.61 0.15 -1.26 -5.06 113.70 113.88 2cue s SER 5 Ca 0.00 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.10 2cue s SER 5 Cb 0.00 -1.08 -0.08 0.00 -1.71 0.00 0.00 66.02 63.15 2cue s SER 5 CO 0.00 0.02 -0.27 -1.20 1.20 0.00 0.00 173.24 172.99 2cue n SER 6 N -0.70 1.54 -2.17 5.45 7.64 -1.26 -5.08 113.62 119.04 2cue n SER 6 Ca -0.08 0.26 -0.00 0.00 1.01 0.00 0.00 58.87 60.06 2cue n SER 6 Cb 0.57 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2cue n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 7 N 1.75 -0.72 3.09 0.23 0.00 -1.26 -5.05 105.19 103.22 2cue n GLY 7 Ca -0.34 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.91 2.71 0.15 1.61 2.00 -1.26 -5.13 119.66 116.84 2cue s GLN 8 Ca 0.01 -0.72 0.04 0.00 -2.00 0.00 0.00 55.36 52.68 2cue s GLN 8 Cb -0.00 -2.36 -0.04 0.00 0.80 0.00 0.00 33.01 31.41 2cue s GLN 8 CO 0.32 -0.19 0.17 -0.98 -0.50 0.00 0.00 175.29 174.12 2cue s ARG 9 N 1.29 3.06 -0.41 1.67 3.03 -1.26 -5.09 118.95 121.24 2cue s ARG 9 Ca 0.03 -0.78 0.01 0.00 2.03 0.00 0.00 55.73 57.03 2cue s ARG 9 Cb -0.13 -2.75 0.13 0.00 -1.03 0.00 0.00 34.95 31.18 2cue s ARG 9 CO -0.10 0.50 0.22 -0.80 -1.13 0.00 0.00 175.30 173.99 2cue s ASN 10 N -3.08 3.51 -0.15 -2.89 -0.87 -1.26 -5.07 114.94 105.14 2cue s ASN 10 Ca 0.32 -2.45 -0.04 0.00 -1.57 0.00 0.00 52.86 49.12 2cue s ASN 10 Cb -0.11 -0.87 0.06 0.00 -0.02 0.00 0.00 41.25 40.31 2cue s ASN 10 CO 0.25 -0.29 0.12 0.00 -2.57 0.00 0.00 177.10 174.60 2cue s ARG 11 N 0.62 0.06 -0.42 -0.60 1.70 -1.26 -5.11 118.95 113.93 2cue s ARG 11 Ca 0.17 0.11 -0.16 0.00 -0.47 0.00 0.00 55.73 55.38 2cue s ARG 11 Cb -0.24 -1.35 0.02 0.00 -0.57 0.00 0.00 34.95 32.81 2cue s ARG 11 CO -0.01 -0.58 0.38 0.95 -1.08 0.00 0.00 175.30 174.96 2cue s THR 12 N 2.19 5.17 -0.13 4.99 -4.23 -1.26 -4.93 115.64 117.43 2cue s THR 12 Ca 0.03 -0.51 -0.20 0.00 -1.18 0.00 0.00 61.69 59.84 2cue s THR 12 Cb -0.15 -4.00 -0.25 0.00 1.34 0.00 0.00 72.50 69.44 2cue s THR 12 CO -0.08 -0.38 0.53 0.28 -0.54 0.00 0.00 174.62 174.43 2cue h SER 13 N 8.69 0.22 -3.25 3.99 0.02 -2.06 -3.47 113.55 117.68 2cue h SER 13 Ca -0.27 -0.80 -0.47 0.00 -0.84 0.00 0.00 61.79 59.41 2cue h SER 13 Cb 1.11 -0.07 0.22 0.00 0.14 0.00 0.00 62.40 63.80 2cue h SER 13 CO 0.77 1.45 -0.27 0.49 -1.14 0.00 0.00 176.83 178.13 2cue n PHE 14 N -4.20 -0.91 -4.25 3.45 3.01 -1.26 -5.03 117.46 108.28 2cue n PHE 14 Ca -0.23 0.06 -0.27 0.00 1.01 0.00 0.00 57.45 58.02 2cue n PHE 14 Cb 0.76 -1.74 -0.08 0.00 -0.01 0.00 0.00 39.48 38.41 2cue n PHE 14 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2cue s THR 15 N -2.41 3.46 0.46 4.37 -4.23 -1.26 -4.97 115.64 111.06 2cue s THR 15 Ca 0.64 -1.53 0.23 0.00 -1.18 0.00 0.00 61.69 59.85 2cue s THR 15 Cb -0.22 -2.73 0.42 0.00 1.34 0.00 0.00 72.50 71.32 2cue s THR 15 CO 0.64 -0.11 1.86 -0.61 -0.54 0.00 0.00 174.62 175.86 2cue h GLN 16 N 2.81 0.25 0.00 3.99 -0.00 -1.98 0.64 115.11 120.82 2cue h GLN 16 Ca -0.47 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.12 2cue h GLN 16 Cb 1.20 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.62 2cue h GLN 16 CO 0.56 0.16 -0.23 0.93 0.00 0.00 0.00 178.83 180.26 2cue h GLU 17 N 0.25 0.00 0.08 1.69 5.08 -2.00 -2.21 114.58 117.47 2cue h GLU 17 Ca 0.47 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.47 2cue h GLU 17 Cb 1.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 2cue h GLU 17 CO -0.13 0.23 -2.05 1.04 -1.00 0.00 0.00 179.01 177.11 2cue n GLN 18 N -3.94 0.71 -0.27 2.33 6.02 0.19 -4.15 117.38 118.26 2cue n GLN 18 Ca -0.02 0.27 0.06 0.00 -0.01 0.00 0.00 57.00 57.31 2cue n GLN 18 Cb 0.31 -1.66 0.30 0.00 1.02 0.00 0.00 30.24 30.20 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 -0.11 1.00 -0.45 5.09 2.04 -0.55 0.22 117.51 124.74 2cue h ILE 19 Ca -0.46 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.12 2cue h ILE 19 Cb 1.91 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2cue h ILE 19 CO -0.01 0.16 0.26 1.05 0.00 0.00 0.00 178.15 179.62 2cue h GLU 20 N 0.89 0.51 0.00 2.37 4.11 -1.58 0.18 114.58 121.07 2cue h GLU 20 Ca 0.39 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.59 2cue h GLU 20 Cb 0.34 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2cue h GLU 20 CO -0.16 0.34 -0.88 0.00 0.07 0.00 0.00 179.01 178.38 2cue h ALA 21 N 1.21 0.50 0.00 1.06 0.00 -1.50 -2.45 119.26 118.07 2cue h ALA 21 Ca 0.18 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2cue h ALA 21 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2cue h ALA 21 CO -0.09 0.89 -0.27 -0.07 0.00 0.00 0.00 179.25 179.71 2cue h LEU 22 N 0.13 0.00 0.02 0.00 3.38 -0.18 -2.62 115.31 116.04 2cue h LEU 22 Ca -0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2cue h LEU 22 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2cue h LEU 22 CO 0.14 0.27 -0.49 -0.33 0.09 0.00 0.00 178.44 178.12 2cue h GLU 23 N 0.00 0.03 -0.88 1.13 4.39 -0.61 -3.25 114.58 115.40 2cue h GLU 23 Ca -0.00 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.75 2cue h GLU 23 Cb 0.74 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.33 2cue h GLU 23 CO 0.04 1.03 0.52 -0.22 -1.16 0.00 0.00 179.01 179.21 2cue h LYS 24 N -0.92 0.81 -0.09 2.33 3.64 -1.46 0.53 116.57 121.42 2cue h LYS 24 Ca -0.13 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2cue h LYS 24 Cb 1.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2cue h LYS 24 CO -0.05 0.54 -0.10 1.49 -2.27 0.00 0.00 179.45 179.06 2cue h GLU 25 N 0.83 0.13 -0.14 1.90 4.57 -1.61 -2.67 114.58 117.61 2cue h GLU 25 Ca 0.43 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.44 2cue h GLU 25 Cb 0.43 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2cue h GLU 25 CO -0.26 0.24 -0.50 0.35 -1.18 0.00 0.00 179.01 177.66 2cue h PHE 26 N 0.13 0.76 -0.54 0.92 3.04 -0.96 -1.11 116.94 119.18 2cue h PHE 26 Ca 0.03 -0.32 0.15 0.00 3.98 0.00 0.00 57.97 61.81 2cue h PHE 26 Cb 0.26 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2cue h PHE 26 CO 0.00 1.09 0.39 0.93 -2.02 0.00 0.00 178.31 178.71 2cue h GLU 27 N 0.21 0.04 0.08 1.11 4.39 -0.95 -2.21 114.58 117.25 2cue h GLU 27 Ca -0.02 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.39 2cue h GLU 27 Cb 1.13 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 2cue h GLU 27 CO 0.10 0.02 -1.50 -0.09 -1.16 0.00 0.00 179.01 176.39 2cue h ARG 28 N 0.04 0.18 -2.94 2.33 2.43 -1.46 -3.47 114.38 111.47 2cue h ARG 28 Ca 0.26 -0.30 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 2cue h ARG 28 Cb 0.99 0.11 -0.31 0.00 -0.42 0.00 0.00 29.97 30.34 2cue h ARG 28 CO -0.01 1.14 -0.51 -0.08 -1.51 0.00 0.00 179.97 179.01 2cue s THR 29 N -2.46 -0.22 -0.52 0.20 -1.32 -0.43 -5.01 115.64 105.88 2cue s THR 29 Ca -0.23 0.21 0.26 0.00 -1.21 0.00 0.00 61.69 60.72 2cue s THR 29 Cb 0.05 -0.41 0.29 0.00 -1.51 0.00 0.00 72.50 70.92 2cue s THR 29 CO 0.72 0.09 1.76 0.45 -2.21 0.00 0.00 174.62 175.42 2cue h HIS 30 N 7.73 0.00 -2.60 9.09 3.86 -1.80 -3.33 115.15 128.10 2cue h HIS 30 Ca -0.28 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.33 2cue h HIS 30 Cb 1.14 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.21 2cue h HIS 30 CO 0.36 0.00 -0.85 0.71 0.86 0.00 0.00 177.93 179.01 2cue s TYR 31 N -3.25 1.79 -0.45 2.45 2.02 -1.26 -4.96 117.35 113.69 2cue s TYR 31 Ca 0.07 -2.58 -0.28 0.00 -0.37 0.00 0.00 57.07 53.91 2cue s TYR 31 Cb 0.10 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 2cue s TYR 31 CO 0.53 -0.75 1.76 -1.25 -1.57 0.00 0.00 175.55 174.27 2cue s PRO 32 N -0.30 3.10 1.12 -1.71 0.04 -1.26 -4.99 135.00 131.00 2cue s PRO 32 Ca 0.29 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 2cue s PRO 32 Cb -0.01 -4.24 0.23 0.00 0.04 0.00 0.00 34.50 30.51 2cue s PRO 32 CO -0.17 -2.15 0.49 -0.25 0.04 0.00 0.00 177.00 174.96 2cue n ASP 33 N 11.00 -3.28 -0.33 6.66 8.00 -1.26 -3.88 116.55 133.46 2cue n ASP 33 Ca 0.21 -0.51 0.07 0.00 0.71 0.00 0.00 54.79 55.27 2cue n ASP 33 Cb 0.49 -0.83 0.26 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.94 0.96 0.00 2.53 3.04 -1.98 0.23 116.25 118.08 2cue h VAL 34 Ca -0.28 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.07 2cue h VAL 34 Cb 0.88 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.07 2cue h VAL 34 CO 0.17 0.18 -0.03 -0.26 -1.01 0.00 0.00 177.57 176.61 2cue h PHE 35 N 0.97 0.00 0.00 3.17 0.04 -2.00 -0.36 116.94 118.77 2cue h PHE 35 Ca 0.46 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.92 2cue h PHE 35 Cb 0.43 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 2cue h PHE 35 CO -0.00 0.03 -1.68 0.00 -0.60 0.00 0.00 178.31 176.06 2cue n ALA 36 N -2.16 0.92 -0.15 2.45 0.00 0.54 -3.59 120.51 118.51 2cue n ALA 36 Ca -0.02 -0.68 0.03 0.00 0.00 0.00 0.00 53.44 52.77 2cue n ALA 36 Cb 0.17 -0.35 0.31 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.96 0.82 0.27 0.00 3.08 -0.71 -0.77 114.38 116.10 2cue h ARG 37 Ca -0.46 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 2cue h ARG 37 Cb 1.43 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2cue h ARG 37 CO -0.27 0.54 -0.13 0.93 -1.07 0.00 0.00 179.97 179.98 2cue h GLU 38 N 0.84 -0.34 -0.75 0.04 5.08 -1.25 0.12 114.58 118.31 2cue h GLU 38 Ca 0.25 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2cue h GLU 38 Cb -0.02 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2cue h GLU 38 CO -0.06 -0.02 0.44 0.00 -1.00 0.00 0.00 179.01 178.37 2cue h ARG 39 N -0.71 0.76 -0.29 2.33 2.47 -1.56 -1.83 114.38 115.55 2cue h ARG 39 Ca -0.04 -0.05 -0.14 0.00 -1.26 0.00 0.00 59.98 58.50 2cue h ARG 39 Cb 0.49 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2cue h ARG 39 CO 0.06 0.51 -0.38 1.25 0.56 0.00 0.00 179.97 181.96 2cue h LEU 40 N 0.79 0.71 -1.30 3.04 5.85 -1.14 -2.76 115.31 120.49 2cue h LEU 40 Ca 0.34 -0.31 0.31 0.00 0.84 0.00 0.00 57.88 59.06 2cue h LEU 40 Cb 0.22 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 40.94 2cue h LEU 40 CO -0.19 1.01 0.70 0.00 -0.34 0.00 0.00 178.44 179.61 2cue h ALA 41 N 1.02 2.29 0.00 1.25 0.00 0.14 0.83 119.26 124.79 2cue h ALA 41 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2cue h ALA 41 Cb 0.91 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2cue h ALA 41 CO 0.08 -0.78 -1.00 0.00 0.00 0.00 0.00 179.25 177.54 2cue n ALA 42 N -2.45 2.98 0.14 0.00 0.00 -1.15 0.40 120.51 120.43 2cue n ALA 42 Ca 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2cue n ALA 42 Cb 1.02 -1.04 0.17 0.00 0.00 0.00 0.00 19.45 19.60 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 0.91 -3.29 116.57 117.83 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 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2cue h LYS 43 CO 0.00 0.58 0.00 0.44 -2.27 0.00 0.00 179.45 178.20 2cue n ILE 44 N -3.61 0.05 -3.12 2.00 -5.35 -0.43 -5.02 119.36 103.88 2cue n ILE 44 Ca -0.00 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 61.94 2cue n ILE 44 Cb 0.63 1.20 0.07 0.00 -1.74 0.00 0.00 39.64 39.80 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 -0.03 -2.11 -4.21 7.28 2.03 -0.42 -4.84 116.55 114.25 2cue n ASP 45 Ca 0.00 -0.49 -0.21 0.00 0.52 0.00 0.00 54.79 54.61 2cue n ASP 45 Cb 0.08 -4.15 -0.12 0.00 -0.72 0.00 0.00 41.12 36.20 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 -5.42 2.27 0.28 -2.67 1.43 0.16 -5.00 118.68 109.73 2cue s LEU 46 Ca 0.01 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 2cue s LEU 46 Cb -0.00 -0.68 -0.10 0.00 0.03 0.00 0.00 46.19 45.45 2cue s LEU 46 CO 0.58 -0.01 1.25 -2.16 0.23 0.00 0.00 176.35 176.24 2cue s PRO 47 N -1.71 4.45 0.57 1.29 0.04 -1.26 -4.33 135.00 134.05 2cue s PRO 47 Ca 0.02 2.05 0.20 0.00 0.04 0.00 0.00 61.00 63.31 2cue s PRO 47 Cb -0.10 -3.14 1.10 0.00 0.04 0.00 0.00 34.50 32.40 2cue s PRO 47 CO 0.03 -0.09 1.59 1.49 0.04 0.00 0.00 177.00 180.05 2cue h GLU 48 N 4.09 0.00 0.18 4.56 4.81 -1.93 0.53 114.58 126.81 2cue h GLU 48 Ca -0.47 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.46 2cue h GLU 48 Cb 1.22 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.62 2cue h GLU 48 CO 0.69 0.00 -1.34 0.00 -0.73 0.00 0.00 179.01 177.64 2cue h ALA 49 N 1.05 -0.01 0.09 2.92 0.00 -1.96 -3.29 119.26 118.05 2cue h ALA 49 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 2cue h ALA 49 Cb 0.89 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2cue h ALA 49 CO 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 179.25 180.06 2cue h ARG 50 N 0.11 -0.11 -0.67 0.00 2.47 -0.30 -3.16 114.38 112.71 2cue h ARG 50 Ca -0.18 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.68 2cue h ARG 50 Cb 2.05 0.03 -0.13 0.00 -1.65 0.00 0.00 29.97 30.26 2cue h ARG 50 CO 0.23 0.17 -0.20 0.82 0.56 0.00 0.00 179.97 181.55 2cue h ILE 51 N -0.39 0.28 -0.69 2.04 2.04 -1.64 0.13 117.51 119.28 2cue h ILE 51 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 2cue h ILE 51 Cb 0.33 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 36.59 2cue h ILE 51 CO 0.02 0.00 0.13 1.56 0.00 0.00 0.00 178.15 179.86 2cue h GLN 52 N -0.03 0.23 0.67 2.37 4.20 -1.61 -0.58 115.11 120.36 2cue h GLN 52 Ca 0.32 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 2cue h GLN 52 Cb 0.51 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.25 2cue h GLN 52 CO -0.71 0.15 -0.32 0.28 -0.67 0.00 0.00 178.83 177.56 2cue h VAL 53 N 0.23 0.00 -0.94 -0.54 2.07 -0.79 -0.58 116.25 115.70 2cue h VAL 53 Ca 0.38 -0.20 0.27 0.00 0.82 0.00 0.00 66.70 67.96 2cue h VAL 53 Cb 0.63 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.24 2cue h VAL 53 CO -0.50 0.00 0.14 -0.25 0.02 0.00 0.00 177.57 176.98 2cue h TRP 54 N -1.11 0.16 -0.42 1.57 7.01 -0.82 0.59 115.95 122.92 2cue h TRP 54 Ca -0.09 0.06 -0.12 0.00 2.11 0.00 0.00 58.89 60.84 2cue h TRP 54 Cb 0.69 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.82 2cue h TRP 54 CO 0.02 -0.35 -0.22 0.74 -2.79 0.00 0.00 178.44 175.84 2cue h PHE 55 N 0.08 1.04 -0.67 2.65 -1.00 -1.07 -2.88 116.94 115.08 2cue h PHE 55 Ca 0.59 -0.26 0.10 0.00 2.81 0.00 0.00 57.97 61.21 2cue h PHE 55 Cb 1.25 -0.24 -0.07 0.00 3.61 0.00 0.00 35.95 40.50 2cue h PHE 55 CO -0.37 1.05 0.29 1.03 -1.61 0.00 0.00 178.31 178.70 2cue h SER 56 N 0.72 0.33 -0.52 2.17 0.87 0.18 -0.76 113.55 116.54 2cue h SER 56 Ca 0.09 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2cue h SER 56 Cb 0.79 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2cue h SER 56 CO 0.07 0.18 0.08 0.78 -0.53 0.00 0.00 176.83 177.41 2cue h ASN 57 N 0.49 0.87 0.57 6.23 2.35 -1.19 -3.14 115.58 121.76 2cue h ASN 57 Ca 0.34 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2cue h ASN 57 Cb 0.41 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2cue h ASN 57 CO -0.30 0.89 -0.29 0.03 -1.65 0.00 0.00 177.43 176.10 2cue h ARG 58 N 0.87 -0.76 -0.95 0.81 2.47 -0.95 -2.71 114.38 113.15 2cue h ARG 58 Ca 0.18 0.05 0.30 0.00 -1.26 0.00 0.00 59.98 59.25 2cue h ARG 58 Cb 0.40 0.17 -0.18 0.00 -1.65 0.00 0.00 29.97 28.71 2cue h ARG 58 CO 0.01 -0.51 0.14 0.54 0.56 0.00 0.00 179.97 180.71 2cue n ARG 59 N -5.44 -0.07 -0.09 0.04 1.74 -0.68 0.22 116.66 112.39 2cue n ARG 59 Ca -0.12 1.39 -0.04 0.00 -0.77 0.00 0.00 57.85 58.31 2cue n ARG 59 Cb 0.33 -2.28 0.17 0.00 -1.02 0.00 0.00 32.46 29.66 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 1.10 0.00 7.54 0.00 -1.53 0.17 119.26 128.44 2cue h ALA 60 Ca 0.63 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2cue h ALA 60 Cb 1.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2cue h ALA 60 CO -0.85 0.57 -0.63 -0.22 0.00 0.00 0.00 179.25 178.11 2cue h LYS 61 N 0.69 0.00 0.00 0.00 3.64 0.30 -2.60 116.57 118.60 2cue h LYS 61 Ca 0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2cue h LYS 61 Cb 0.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2cue h LYS 61 CO 0.03 0.63 -0.04 2.35 -2.27 0.00 0.00 179.45 180.15 2cue h TRP 62 N 0.00 0.00 -0.65 1.91 7.01 0.29 -2.75 115.95 121.76 2cue h TRP 62 Ca -0.01 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.02 2cue h TRP 62 Cb 1.31 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.33 2cue h TRP 62 CO 0.00 0.95 0.40 0.00 -2.79 0.00 0.00 178.44 177.00 2cue h ARG 63 N -1.00 0.76 -0.51 2.65 3.08 -0.77 0.90 114.38 119.49 2cue h ARG 63 Ca -0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2cue h ARG 63 Cb 0.94 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2cue h ARG 63 CO -0.01 0.50 0.12 0.07 -1.07 0.00 0.00 179.97 179.59 2cue h ARG 64 N 0.78 0.83 0.46 0.04 0.11 -1.60 -2.47 114.38 112.53 2cue h ARG 64 Ca 0.26 -0.20 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 2cue h ARG 64 Cb 0.03 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.00 2cue h ARG 64 CO -0.11 0.79 -0.22 0.93 0.10 0.00 0.00 179.97 181.47 2cue h GLU 65 N 0.72 -0.59 -1.04 0.08 5.08 -1.13 -2.69 114.58 115.00 2cue h GLU 65 Ca 0.16 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.83 2cue h GLU 65 Cb 0.34 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 2cue h GLU 65 CO 0.00 -0.30 0.68 0.93 -1.00 0.00 0.00 179.01 179.32 2cue h GLU 66 N -0.83 0.35 0.22 2.33 3.07 -0.84 -0.58 114.58 118.29 2cue h GLU 66 Ca -0.06 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2cue h GLU 66 Cb 0.56 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2cue h GLU 66 CO 0.10 0.23 -0.10 -0.22 -1.40 0.00 0.00 179.01 177.62 2cue h LYS 67 N 0.36 -0.28 -1.85 2.33 1.63 -1.24 -2.42 116.57 115.09 2cue h LYS 67 Ca 0.58 0.02 0.54 0.00 -0.85 0.00 0.00 60.65 60.94 2cue h LYS 67 Cb 1.54 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 33.15 2cue h LYS 67 CO -0.26 -0.05 1.32 1.28 -3.45 0.00 0.00 179.45 178.30 2cue n LEU 68 N -5.13 0.02 0.04 5.20 4.77 -0.23 0.17 117.00 121.83 2cue n LEU 68 Ca -0.09 0.99 -0.22 0.00 -0.03 0.00 0.00 56.01 56.66 2cue n LEU 68 Cb 0.20 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.65 2cue n LEU 68 CO 0.33 -1.00 -0.59 -0.09 -1.33 0.00 0.00 177.39 174.71 2cue h ARG 69 N 0.00 0.32 0.00 3.23 2.43 -1.49 -3.27 114.38 115.59 2cue h ARG 69 Ca 0.90 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2cue h ARG 69 Cb 3.56 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 33.31 2cue h ARG 69 CO -0.05 1.26 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.69 2cue h ASN 70 N -0.02 0.00 0.28 -3.80 2.35 0.22 -2.28 115.58 112.32 2cue h ASN 70 Ca -0.36 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.12 2cue h ASN 70 Cb 1.99 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.37 2cue h ASN 70 CO 0.12 0.07 -1.16 1.56 -1.65 0.00 0.00 177.43 176.36 2cue h GLN 71 N 0.00 0.51 -0.26 0.81 1.08 -0.86 -3.22 115.11 113.17 2cue h GLN 71 Ca -0.00 -0.66 0.07 0.00 -1.45 0.00 0.00 58.65 56.61 2cue h GLN 71 Cb 0.23 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2cue h GLN 71 CO 0.01 1.28 0.19 -0.09 -0.95 0.00 0.00 178.83 179.27 2cue h ARG 72 N 0.23 0.00 -7.01 1.46 2.43 -1.46 -3.42 114.38 106.61 2cue h ARG 72 Ca -0.15 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.52 2cue h ARG 72 Cb 1.84 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 31.44 2cue h ARG 72 CO 0.21 0.00 0.47 0.50 -1.51 0.00 0.00 179.97 179.64 2cue s ARG 73 N -4.99 3.74 -0.17 0.20 6.06 -1.21 -4.91 118.95 117.67 2cue s ARG 73 Ca -0.05 1.71 -0.01 0.00 -2.50 0.00 0.00 55.73 54.88 2cue s ARG 73 Cb 0.18 -2.35 0.07 0.00 0.06 0.00 0.00 34.95 32.91 2cue s ARG 73 CO 0.68 -0.55 2.21 1.04 -2.50 0.00 0.00 175.30 176.18 2cue n GLN 74 N -0.59 1.54 -0.29 5.12 1.13 -1.26 -4.62 117.38 118.41 2cue n GLN 74 Ca 0.08 -0.94 0.04 0.00 -1.94 0.00 0.00 57.00 54.24 2cue n GLN 74 Cb 0.49 -1.44 0.12 0.00 0.11 0.00 0.00 30.24 29.52 2cue n GLN 74 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2cue h SER 75 N 1.54 -0.72 0.00 1.08 0.02 -1.89 -3.46 113.55 110.12 2cue h SER 75 Ca 0.17 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2cue h SER 75 Cb 0.99 0.50 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2cue h SER 75 CO 0.41 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 2cue n GLY 76 N -1.53 -2.02 3.56 -3.77 0.00 -1.26 -5.09 105.19 95.07 2cue n GLY 76 Ca 0.13 0.78 -0.39 0.00 0.00 0.00 0.00 46.02 46.54 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 0.27 2.75 -0.12 1.61 0.04 -1.26 -4.96 135.00 133.33 2cue s PRO 77 Ca 0.00 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.76 2cue s PRO 77 Cb 0.00 -4.35 0.02 0.00 0.04 0.00 0.00 34.50 30.21 2cue s PRO 77 CO 0.00 -2.58 -0.12 -1.12 0.04 0.00 0.00 177.00 173.22 2cue s SER 78 N 7.67 2.34 0.19 6.66 0.01 -1.26 -5.03 113.70 124.28 2cue s SER 78 Ca 0.68 -0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.34 2cue s SER 78 Cb -0.14 -1.00 0.12 0.00 0.21 0.00 0.00 66.02 65.21 2cue s SER 78 CO 0.23 -0.05 1.58 -1.28 0.41 0.00 0.00 173.24 174.13 2cue h SER 79 N 7.80 -1.24 0.00 2.44 0.87 -1.97 -3.54 113.55 117.91 2cue h SER 79 Ca -0.33 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2cue h SER 79 Cb 1.15 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2cue h SER 79 CO 0.47 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.07