#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 6.35 -0.14 1.61 0.01 -1.26 -4.96 113.70 115.31 2cue s SER 2 Ca 0.00 0.28 -0.22 0.00 1.31 0.00 0.00 55.95 57.32 2cue s SER 2 Cb 0.00 -2.26 -0.20 0.00 0.21 0.00 0.00 66.02 63.77 2cue s SER 2 CO 0.00 -0.32 0.56 0.28 0.41 0.00 0.00 173.24 174.17 2cue h SER 3 N 8.20 0.00 -4.37 2.44 0.02 -2.13 -3.51 113.55 114.20 2cue h SER 3 Ca -0.29 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.91 2cue h SER 3 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2cue h SER 3 CO 0.71 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.95 2cue n GLY 4 N 1.63 -0.75 2.85 -3.77 0.00 -1.26 -4.96 105.19 98.94 2cue n GLY 4 Ca -0.10 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.08 3.16 1.42 1.61 1.04 -1.26 -5.13 113.70 111.46 2cue s SER 5 Ca 0.00 -0.87 -0.22 0.00 0.48 0.00 0.00 55.95 55.34 2cue s SER 5 Cb 0.00 -0.88 0.37 0.00 0.10 0.00 0.00 66.02 65.60 2cue s SER 5 CO 0.00 -0.24 0.91 -0.24 0.98 0.00 0.00 173.24 174.65 2cue n SER 6 N 4.87 -3.65 0.00 7.02 2.88 -1.26 -5.04 113.62 118.44 2cue n SER 6 Ca -0.11 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 2cue n SER 6 Cb 0.46 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2cue n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cue n GLY 7 N 1.69 0.56 3.11 0.46 0.00 -1.26 -5.17 105.19 104.58 2cue n GLY 7 Ca 0.11 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 2cue n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cue s GLN 8 N 0.00 1.39 0.30 1.61 0.00 -1.26 -5.14 119.66 116.56 2cue s GLN 8 Ca 0.00 -0.52 -0.23 0.00 -0.00 0.00 0.00 55.36 54.61 2cue s GLN 8 Cb 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 33.01 31.64 2cue s GLN 8 CO 0.00 0.25 0.86 1.03 0.00 0.00 0.00 175.29 177.43 2cue s ARG 9 N -0.10 4.41 -0.11 9.60 0.52 -1.26 -5.00 118.95 127.02 2cue s ARG 9 Ca 0.01 1.12 -0.17 0.00 -0.52 0.00 0.00 55.73 56.17 2cue s ARG 9 Cb -0.09 -2.76 -0.27 0.00 0.52 0.00 0.00 34.95 32.36 2cue s ARG 9 CO 0.01 0.29 0.57 -2.95 0.02 0.00 0.00 175.30 173.23 2cue h ASN 10 N 3.11 0.36 -3.57 0.23 -1.07 -2.08 -3.44 115.58 109.11 2cue h ASN 10 Ca -0.47 -0.85 -0.62 0.00 0.07 0.00 0.00 56.30 54.43 2cue h ASN 10 Cb 1.19 -0.12 -0.13 0.00 -2.07 0.00 0.00 38.32 37.20 2cue h ASN 10 CO 0.65 1.58 0.01 -0.13 0.07 0.00 0.00 177.43 179.61 2cue s ARG 11 N -2.46 4.06 -0.14 4.14 1.81 -1.26 -5.06 118.95 120.04 2cue s ARG 11 Ca -0.20 0.34 -0.01 0.00 -1.72 0.00 0.00 55.73 54.14 2cue s ARG 11 Cb 0.04 -3.66 -0.02 0.00 -0.45 0.00 0.00 34.95 30.86 2cue s ARG 11 CO 0.76 -0.37 -0.09 0.99 -0.68 0.00 0.00 175.30 175.90 2cue s THR 12 N 2.35 3.40 0.05 0.02 2.01 -1.26 -5.03 115.64 117.19 2cue s THR 12 Ca 0.22 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 2cue s THR 12 Cb -0.16 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 2cue s THR 12 CO 0.09 0.52 0.96 -1.20 -0.69 0.00 0.00 174.62 174.30 2cue n SER 13 N 3.45 -0.36 -4.25 3.53 7.64 -1.26 -4.48 113.62 117.89 2cue n SER 13 Ca -0.18 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.41 2cue n SER 13 Cb 0.53 -0.30 0.13 0.00 -1.01 0.00 0.00 64.21 63.56 2cue n SER 13 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2cue n PHE 14 N -3.73 -1.64 -4.33 1.43 3.72 -1.26 -5.01 117.46 106.64 2cue n PHE 14 Ca 0.01 0.22 -0.27 0.00 -0.05 0.00 0.00 57.45 57.36 2cue n PHE 14 Cb 0.09 -1.57 -0.10 0.00 -0.94 0.00 0.00 39.48 36.96 2cue n PHE 14 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2cue s THR 15 N -2.22 2.97 0.34 4.37 -4.23 -1.26 -4.97 115.64 110.64 2cue s THR 15 Ca 0.52 -1.79 0.12 0.00 -1.18 0.00 0.00 61.69 59.37 2cue s THR 15 Cb -0.11 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.60 2cue s THR 15 CO 0.67 -0.13 1.75 -0.61 -0.54 0.00 0.00 174.62 175.76 2cue h GLN 16 N 2.92 0.52 -0.07 3.99 -0.00 -1.95 0.69 115.11 121.21 2cue h GLN 16 Ca -0.46 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.17 2cue h GLN 16 Cb 1.21 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 28.57 2cue h GLN 16 CO 0.53 0.35 0.05 0.93 0.00 0.00 0.00 178.83 180.69 2cue h GLU 17 N 0.54 0.05 0.08 1.69 4.39 -2.01 -1.42 114.58 117.90 2cue h GLU 17 Ca 0.62 -0.00 -0.32 0.00 0.34 0.00 0.00 59.36 60.00 2cue h GLU 17 Cb 1.28 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2cue h GLU 17 CO -0.40 0.03 -1.73 1.04 -1.16 0.00 0.00 179.01 176.79 2cue n GLN 18 N -4.52 0.69 -0.28 2.33 6.02 0.21 -3.97 117.38 117.85 2cue n GLN 18 Ca -0.02 0.38 0.11 0.00 -0.01 0.00 0.00 57.00 57.46 2cue n GLN 18 Cb 0.12 -1.72 0.35 0.00 1.02 0.00 0.00 30.24 30.01 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 -0.32 0.86 -0.77 5.09 2.04 -0.39 0.22 117.51 124.23 2cue h ILE 19 Ca -0.40 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 2cue h ILE 19 Cb 1.77 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2cue h ILE 19 CO -0.02 0.14 0.31 1.05 0.00 0.00 0.00 178.15 179.63 2cue h GLU 20 N 0.75 1.14 0.00 2.37 4.11 -1.43 0.30 114.58 121.82 2cue h GLU 20 Ca 0.45 -0.20 -0.15 0.00 0.07 0.00 0.00 59.36 59.53 2cue h GLU 20 Cb 0.66 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2cue h GLU 20 CO -0.21 0.93 -0.72 0.00 0.07 0.00 0.00 179.01 179.08 2cue h ALA 21 N 1.16 0.63 0.05 1.06 0.00 -1.25 -2.75 119.26 118.17 2cue h ALA 21 Ca 0.26 -0.65 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 2cue h ALA 21 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2cue h ALA 21 CO -0.02 0.90 -1.07 -0.07 0.00 0.00 0.00 179.25 178.98 2cue h LEU 22 N 0.00 0.21 -0.12 0.00 3.38 -0.26 -3.09 115.31 115.42 2cue h LEU 22 Ca -0.01 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 2cue h LEU 22 Cb 1.43 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.12 2cue h LEU 22 CO 0.09 1.14 -0.46 -0.33 0.09 0.00 0.00 178.44 178.97 2cue h GLU 23 N 0.05 0.53 -0.85 1.13 5.08 -0.44 -2.81 114.58 117.27 2cue h GLU 23 Ca -0.06 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2cue h GLU 23 Cb 1.80 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 2cue h GLU 23 CO 0.16 1.03 0.55 -0.22 -1.00 0.00 0.00 179.01 179.53 2cue h LYS 24 N 0.15 1.13 -0.03 2.33 3.64 -1.58 -1.14 116.57 121.06 2cue h LYS 24 Ca -0.02 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 2cue h LYS 24 Cb 1.10 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2cue h LYS 24 CO 0.10 0.76 -0.42 1.49 -2.27 0.00 0.00 179.45 179.11 2cue h GLU 25 N 1.16 0.07 -0.08 1.90 4.57 -1.54 -3.11 114.58 117.55 2cue h GLU 25 Ca 0.31 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.36 2cue h GLU 25 Cb -0.11 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2cue h GLU 25 CO -0.06 0.48 -0.34 0.35 -1.18 0.00 0.00 179.01 178.25 2cue h PHE 26 N 0.06 0.50 -0.90 0.92 3.04 -1.03 -1.45 116.94 118.07 2cue h PHE 26 Ca 0.00 -0.21 0.21 0.00 3.98 0.00 0.00 57.97 61.95 2cue h PHE 26 Cb 0.76 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.13 2cue h PHE 26 CO 0.00 0.95 0.60 0.93 -2.02 0.00 0.00 178.31 178.77 2cue h GLU 27 N -0.10 0.35 0.13 1.11 4.39 -1.18 -1.56 114.58 117.73 2cue h GLU 27 Ca -0.02 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 59.41 2cue h GLU 27 Cb 0.98 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2cue h GLU 27 CO 0.07 0.23 -1.24 -0.09 -1.16 0.00 0.00 179.01 176.82 2cue h ARG 28 N 0.36 0.28 -2.77 2.33 2.43 -1.52 -3.47 114.38 112.03 2cue h ARG 28 Ca 0.47 -0.48 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 2cue h ARG 28 Cb 1.24 0.18 -0.29 0.00 -0.42 0.00 0.00 29.97 30.69 2cue h ARG 28 CO -0.16 1.23 -0.41 -0.08 -1.51 0.00 0.00 179.97 179.04 2cue s THR 29 N -2.47 -0.22 -0.64 0.20 -1.32 -0.55 -5.01 115.64 105.62 2cue s THR 29 Ca -0.17 0.16 0.25 0.00 -1.21 0.00 0.00 61.69 60.72 2cue s THR 29 Cb 0.03 -0.52 0.27 0.00 -1.51 0.00 0.00 72.50 70.77 2cue s THR 29 CO 0.80 0.07 1.75 1.41 -2.21 0.00 0.00 174.62 176.44 2cue n HIS 30 N 4.68 0.84 -3.63 9.09 8.25 -1.21 -3.83 115.22 129.42 2cue n HIS 30 Ca -0.18 0.28 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 2cue n HIS 30 Cb 0.52 -0.95 -0.11 0.00 1.12 0.00 0.00 29.99 30.57 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 -3.18 2.21 -0.54 4.41 2.02 -1.26 -4.94 117.35 116.07 2cue s TYR 31 Ca 0.08 -2.77 -0.27 0.00 -0.37 0.00 0.00 57.07 53.74 2cue s TYR 31 Cb 0.11 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 2cue s TYR 31 CO 0.51 -0.70 1.82 -1.25 -1.57 0.00 0.00 175.55 174.36 2cue s PRO 32 N -0.58 2.83 1.08 -1.71 0.04 -1.26 -4.98 135.00 130.42 2cue s PRO 32 Ca 0.29 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 2cue s PRO 32 Cb -0.01 -4.33 0.22 0.00 0.04 0.00 0.00 34.50 30.42 2cue s PRO 32 CO -0.17 -2.48 0.49 -0.25 0.04 0.00 0.00 177.00 174.63 2cue n ASP 33 N 11.99 -3.27 -0.19 6.66 8.00 -1.26 -3.87 116.55 134.61 2cue n ASP 33 Ca 0.21 -0.50 0.10 0.00 0.71 0.00 0.00 54.79 55.30 2cue n ASP 33 Cb 0.51 -0.80 0.40 0.00 -0.02 0.00 0.00 41.12 41.21 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 -2.95 0.92 0.00 2.53 3.04 -1.98 0.26 116.25 118.06 2cue h VAL 34 Ca -0.24 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2cue h VAL 34 Cb 0.79 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2cue h VAL 34 CO 0.14 0.12 0.00 -0.26 -1.01 0.00 0.00 177.57 176.56 2cue h PHE 35 N 0.65 0.00 0.00 3.17 0.04 -1.99 -0.77 116.94 118.04 2cue h PHE 35 Ca 0.36 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.88 2cue h PHE 35 Cb 0.50 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2cue h PHE 35 CO -0.00 0.00 -1.55 0.00 -0.60 0.00 0.00 178.31 176.16 2cue n ALA 36 N -2.02 0.89 -0.17 2.45 0.00 0.72 -3.69 120.51 118.69 2cue n ALA 36 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.73 2cue n ALA 36 Cb 0.21 -0.15 0.31 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.00 0.84 0.25 0.00 3.08 -1.05 -0.09 114.38 116.41 2cue h ARG 37 Ca -0.37 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 2cue h ARG 37 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2cue h ARG 37 CO -0.22 0.55 -0.12 0.93 -1.07 0.00 0.00 179.97 180.04 2cue h GLU 38 N 0.86 -0.33 -0.83 0.04 5.08 -1.34 0.34 114.58 118.40 2cue h GLU 38 Ca 0.27 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2cue h GLU 38 Cb 0.01 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2cue h GLU 38 CO -0.07 -0.03 0.55 0.00 -1.00 0.00 0.00 179.01 178.46 2cue h ARG 39 N -0.63 1.06 -0.31 2.33 3.08 -1.57 -2.63 114.38 115.71 2cue h ARG 39 Ca -0.03 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 2cue h ARG 39 Cb 0.45 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2cue h ARG 39 CO 0.06 0.70 -0.31 1.25 -1.07 0.00 0.00 179.97 180.60 2cue h LEU 40 N 1.10 0.82 -1.27 3.04 5.85 -0.98 -2.51 115.31 121.35 2cue h LEU 40 Ca 0.32 -0.47 0.35 0.00 0.84 0.00 0.00 57.88 58.91 2cue h LEU 40 Cb -0.08 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 40.60 2cue h LEU 40 CO -0.09 1.12 0.71 0.00 -0.34 0.00 0.00 178.44 179.84 2cue h ALA 41 N 0.72 2.33 0.00 1.25 0.00 0.06 1.23 119.26 124.86 2cue h ALA 41 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2cue h ALA 41 Cb 0.89 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2cue h ALA 41 CO 0.08 -0.89 -0.91 0.00 0.00 0.00 0.00 179.25 177.53 2cue n ALA 42 N -2.43 3.14 0.08 0.00 0.00 -1.17 0.56 120.51 120.69 2cue n ALA 42 Ca 0.32 -0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2cue n ALA 42 Cb 1.12 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 0.20 -0.00 0.00 3.64 0.19 -3.32 116.57 117.28 2cue h LYS 43 Ca 0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2cue h LYS 43 Cb 0.77 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2cue h LYS 43 CO 0.00 1.00 0.00 0.44 -2.27 0.00 0.00 179.45 178.62 2cue n ILE 44 N -3.62 0.03 -3.00 2.00 -5.35 -0.06 -5.02 119.36 104.34 2cue n ILE 44 Ca -0.04 -0.52 -0.12 0.00 -0.27 0.00 0.00 62.75 61.80 2cue n ILE 44 Cb 0.85 1.01 0.06 0.00 -1.74 0.00 0.00 39.64 39.82 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 0.05 -2.20 -4.21 7.28 2.03 -0.43 -4.89 116.55 114.19 2cue n ASP 45 Ca 0.01 -0.42 -0.22 0.00 0.52 0.00 0.00 54.79 54.67 2cue n ASP 45 Cb 0.04 -3.68 -0.13 0.00 -0.72 0.00 0.00 41.12 36.62 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 -5.02 2.23 0.21 -2.67 1.43 0.19 -5.00 118.68 110.06 2cue s LEU 46 Ca 0.02 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 2cue s LEU 46 Cb -0.01 -0.75 -0.09 0.00 0.03 0.00 0.00 46.19 45.38 2cue s LEU 46 CO 0.50 0.04 1.29 -2.16 0.23 0.00 0.00 176.35 176.26 2cue s PRO 47 N -1.51 4.40 0.60 1.29 0.04 -1.26 -4.23 135.00 134.34 2cue s PRO 47 Ca 0.03 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.40 2cue s PRO 47 Cb -0.09 -3.19 1.19 0.00 0.04 0.00 0.00 34.50 32.45 2cue s PRO 47 CO 0.02 -0.22 1.57 1.49 0.04 0.00 0.00 177.00 179.91 2cue h GLU 48 N 5.12 0.00 -0.16 4.56 4.81 -1.93 0.78 114.58 127.76 2cue h GLU 48 Ca -0.45 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.60 2cue h GLU 48 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.60 2cue h GLU 48 CO 0.76 0.00 -0.61 0.00 -0.73 0.00 0.00 179.01 178.42 2cue h ALA 49 N 0.95 0.29 0.48 2.92 0.00 -1.96 -3.22 119.26 118.72 2cue h ALA 49 Ca 0.37 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2cue h ALA 49 Cb 2.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2cue h ALA 49 CO -0.00 0.55 -0.23 0.00 0.00 0.00 0.00 179.25 179.57 2cue h ARG 50 N 0.40 -0.62 -0.86 0.00 2.47 0.23 -2.88 114.38 113.12 2cue h ARG 50 Ca -0.03 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 58.95 2cue h ARG 50 Cb 1.24 0.14 -0.15 0.00 -1.65 0.00 0.00 29.97 29.55 2cue h ARG 50 CO 0.13 -0.41 0.04 0.82 0.56 0.00 0.00 179.97 181.11 2cue h ILE 51 N -0.66 0.22 -0.93 2.04 2.04 -1.60 0.52 117.51 119.14 2cue h ILE 51 Ca -0.07 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 65.93 2cue h ILE 51 Cb 0.50 0.13 -0.10 0.00 -0.74 0.00 0.00 36.82 36.61 2cue h ILE 51 CO 0.11 0.02 0.53 1.56 0.00 0.00 0.00 178.15 180.36 2cue h GLN 52 N 0.09 0.68 0.45 2.37 4.20 -1.51 -0.91 115.11 120.49 2cue h GLN 52 Ca 0.50 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.14 2cue h GLN 52 Cb 0.95 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2cue h GLN 52 CO -0.76 0.45 -0.22 0.28 -0.67 0.00 0.00 178.83 177.91 2cue h VAL 53 N 0.70 0.04 -0.97 -0.54 2.07 0.04 -0.15 116.25 117.45 2cue h VAL 53 Ca 0.52 -0.56 0.28 0.00 0.82 0.00 0.00 66.70 67.76 2cue h VAL 53 Cb 0.77 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2cue h VAL 53 CO -0.37 0.01 0.90 -0.25 0.02 0.00 0.00 177.57 177.87 2cue h TRP 54 N -1.15 0.00 0.11 1.57 7.01 -0.96 0.56 115.95 123.09 2cue h TRP 54 Ca -0.06 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.60 2cue h TRP 54 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 2cue h TRP 54 CO 0.00 0.00 -1.84 0.74 -2.79 0.00 0.00 178.44 174.55 2cue h PHE 55 N 0.00 0.43 -0.70 2.65 -1.00 -1.13 -3.24 116.94 113.94 2cue h PHE 55 Ca 0.46 -0.31 0.01 0.00 2.81 0.00 0.00 57.97 60.93 2cue h PHE 55 Cb 2.25 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 41.75 2cue h PHE 55 CO 0.00 1.57 0.46 1.03 -1.61 0.00 0.00 178.31 179.76 2cue h SER 56 N 0.06 0.81 -0.19 2.17 0.87 0.20 -2.46 113.55 115.01 2cue h SER 56 Ca -0.36 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.04 2cue h SER 56 Cb 2.04 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2cue h SER 56 CO 0.11 0.59 -0.42 0.78 -0.53 0.00 0.00 176.83 177.36 2cue h ASN 57 N 0.96 0.70 -0.51 6.23 2.35 -1.37 -3.24 115.58 120.70 2cue h ASN 57 Ca 0.26 -0.56 0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2cue h ASN 57 Cb -0.11 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 37.99 2cue h ASN 57 CO -0.06 1.13 0.09 0.03 -1.65 0.00 0.00 177.43 176.97 2cue h ARG 58 N 0.30 0.21 -1.01 0.81 2.47 -1.48 -0.53 114.38 115.15 2cue h ARG 58 Ca 0.00 -0.01 0.24 0.00 -1.26 0.00 0.00 59.98 58.95 2cue h ARG 58 Cb 1.02 -0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 29.18 2cue h ARG 58 CO 0.09 0.14 0.62 0.00 0.56 0.00 0.00 179.97 181.38 2cue h ARG 59 N 0.22 0.54 -0.07 0.04 3.08 -1.49 0.70 114.38 117.40 2cue h ARG 59 Ca 0.26 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 2cue h ARG 59 Cb 0.35 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2cue h ARG 59 CO -0.35 0.35 -0.53 0.00 -1.07 0.00 0.00 179.97 178.37 2cue h ALA 60 N 1.69 0.98 0.00 0.04 0.00 -1.19 0.13 119.26 120.91 2cue h ALA 60 Ca 0.62 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2cue h ALA 60 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2cue h ALA 60 CO -0.42 0.68 -0.73 -0.22 0.00 0.00 0.00 179.25 178.56 2cue h LYS 61 N 0.15 0.00 0.13 0.00 3.64 0.38 -2.92 116.57 117.94 2cue h LYS 61 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2cue h LYS 61 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2cue h LYS 61 CO 0.08 0.48 -1.40 2.35 -2.27 0.00 0.00 179.45 178.70 2cue h TRP 62 N 0.00 0.50 0.00 1.91 7.01 0.27 -2.76 115.95 122.88 2cue h TRP 62 Ca -0.04 -0.36 -0.06 0.00 2.11 0.00 0.00 58.89 60.54 2cue h TRP 62 Cb 1.45 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.48 2cue h TRP 62 CO 0.00 1.55 -0.29 0.00 -2.79 0.00 0.00 178.44 176.91 2cue h ARG 63 N -0.25 0.00 0.21 2.65 3.08 -0.87 0.73 114.38 119.92 2cue h ARG 63 Ca -0.29 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.43 2cue h ARG 63 Cb 1.80 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.87 2cue h ARG 63 CO 0.09 0.29 -1.52 0.07 -1.07 0.00 0.00 179.97 177.83 2cue h ARG 64 N 0.00 0.45 0.06 0.04 0.11 -1.63 -3.36 114.38 110.04 2cue h ARG 64 Ca -0.00 -0.76 -0.00 0.00 0.10 0.00 0.00 59.98 59.31 2cue h ARG 64 Cb 0.57 0.28 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2cue h ARG 64 CO 0.04 1.36 -0.03 0.93 0.10 0.00 0.00 179.97 182.37 2cue h GLU 65 N 0.12 -0.07 -1.68 0.08 5.08 -1.30 -2.96 114.58 113.84 2cue h GLU 65 Ca -0.26 0.01 0.51 0.00 -1.00 0.00 0.00 59.36 58.62 2cue h GLU 65 Cb 2.12 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 31.29 2cue h GLU 65 CO 0.23 0.48 1.18 -1.91 -1.00 0.00 0.00 179.01 177.99 2cue n GLU 66 N -4.84 -0.01 -0.07 2.33 0.00 0.23 0.33 120.64 118.61 2cue n GLU 66 Ca -0.09 1.08 -0.11 0.00 0.00 0.00 0.00 57.16 58.04 2cue n GLU 66 Cb 0.29 -2.35 -0.09 0.00 0.00 0.00 0.00 31.44 29.29 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 0.00 -1.00 5.31 3.11 -1.69 -3.06 116.57 119.24 2cue h LYS 67 Ca 0.87 0.00 0.20 0.00 -2.81 0.00 0.00 60.65 58.91 2cue h LYS 67 Cb 3.28 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 34.40 2cue h LYS 67 CO -0.16 0.69 0.61 -0.07 -2.81 0.00 0.00 179.45 177.72 2cue h LEU 68 N -1.00 0.76 -0.32 5.20 3.38 0.05 -0.21 115.31 123.17 2cue h LEU 68 Ca -0.05 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2cue h LEU 68 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2cue h LEU 68 CO -0.03 0.25 -0.10 -0.09 0.09 0.00 0.00 178.44 178.56 2cue h ARG 69 N 0.73 0.64 -0.64 1.13 2.43 -1.02 -2.68 114.38 114.96 2cue h ARG 69 Ca 0.59 -0.25 0.14 0.00 -0.81 0.00 0.00 59.98 59.65 2cue h ARG 69 Cb 0.96 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 2cue h ARG 69 CO -0.39 0.82 0.44 -0.97 -1.51 0.00 0.00 179.97 178.36 2cue h ASN 70 N 0.41 0.23 0.68 -3.80 -0.73 -0.94 0.12 115.58 111.56 2cue h ASN 70 Ca 0.08 0.01 -0.20 0.00 1.87 0.00 0.00 56.30 58.06 2cue h ASN 70 Cb 0.60 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 2cue h ASN 70 CO 0.04 0.13 -0.91 1.56 -0.37 0.00 0.00 177.43 177.87 2cue h GLN 71 N 0.25 0.14 -0.64 6.67 4.20 -1.20 -3.14 115.11 121.40 2cue h GLN 71 Ca 0.31 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2cue h GLN 71 Cb 0.87 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2cue h GLN 71 CO -0.07 0.95 0.00 -2.13 -0.67 0.00 0.00 178.83 176.92 2cue n ARG 72 N -3.59 4.21 -1.05 1.46 0.63 0.19 -4.97 116.66 113.54 2cue n ARG 72 Ca -0.03 -2.73 -0.34 0.00 -0.92 0.00 0.00 57.85 53.83 2cue n ARG 72 Cb 0.84 -2.10 -0.10 0.00 0.45 0.00 0.00 32.46 31.55 2cue n ARG 72 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2cue n ARG 73 N 0.66 0.00 -2.23 -0.14 5.12 0.10 -4.82 116.66 115.35 2cue n ARG 73 Ca 0.24 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.82 2cue n ARG 73 Cb 1.02 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 2cue n ARG 73 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2cue s GLN 74 N 5.94 3.35 0.97 5.56 0.74 -1.26 -5.04 119.66 129.91 2cue s GLN 74 Ca 0.96 1.55 -0.16 0.00 0.05 0.00 0.00 55.36 57.76 2cue s GLN 74 Cb -0.98 -2.01 0.20 0.00 1.10 0.00 0.00 33.01 31.31 2cue s GLN 74 CO 0.40 -0.84 1.29 -1.12 -0.55 0.00 0.00 175.29 174.47 2cue s SER 75 N -1.91 3.05 0.53 6.67 0.01 -1.26 -4.99 113.70 115.80 2cue s SER 75 Ca 0.71 0.35 -0.20 0.00 1.31 0.00 0.00 55.95 58.13 2cue s SER 75 Cb -0.22 -0.46 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2cue s SER 75 CO 0.28 -2.78 0.70 0.61 0.41 0.00 0.00 173.24 172.46 2cue n GLY 76 N -3.47 -1.05 3.77 3.44 0.00 -1.26 -4.94 105.19 101.69 2cue n GLY 76 Ca 0.14 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.13 2.77 0.31 1.61 0.04 -1.26 -5.07 135.00 131.28 2cue s PRO 77 Ca 0.68 1.38 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2cue s PRO 77 Cb -0.48 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 2cue s PRO 77 CO 0.54 -1.27 -0.05 0.45 0.04 0.00 0.00 177.00 176.71 2cue s SER 78 N -2.62 3.03 -0.10 6.66 0.15 -1.26 -5.16 113.70 114.40 2cue s SER 78 Ca 0.67 -1.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.04 2cue s SER 78 Cb -0.20 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 63.93 2cue s SER 78 CO 0.42 -0.35 0.23 -0.55 1.20 0.00 0.00 173.24 174.20 2cue s SER 79 N -3.51 -0.25 0.00 5.45 0.15 -1.26 -5.31 113.70 108.98 2cue s SER 79 Ca 0.31 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2cue s SER 79 Cb 0.04 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2cue s SER 79 CO 0.14 -0.15 0.28 0.61 1.20 0.00 0.00 173.24 175.32