#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 6.19 -0.11 1.61 1.04 -1.26 -4.91 113.70 116.27 2cue s SER 2 Ca 0.00 -2.08 -0.06 0.00 0.48 0.00 0.00 55.95 54.29 2cue s SER 2 Cb 0.00 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.94 2cue s SER 2 CO 0.00 -0.74 -0.11 0.28 0.98 0.00 0.00 173.24 173.65 2cue h SER 3 N 8.46 0.00 -3.73 7.02 0.02 -2.14 -3.51 113.55 119.67 2cue h SER 3 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2cue h SER 3 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2cue h SER 3 CO 0.92 0.56 -0.10 0.61 -1.14 0.00 0.00 176.83 177.68 2cue n GLY 4 N 1.68 -3.62 3.58 -3.77 0.00 -1.26 -4.98 105.19 96.82 2cue n GLY 4 Ca -0.05 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 2cue n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cue n SER 5 N -0.19 -0.48 -0.06 1.61 7.64 -1.26 -4.93 113.62 115.96 2cue n SER 5 Ca 0.00 0.29 -0.10 0.00 1.01 0.00 0.00 58.87 60.06 2cue n SER 5 Cb 0.00 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 61.78 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 -2.00 0.28 -3.68 6.43 0.87 -2.07 -3.48 113.55 109.89 2cue h SER 6 Ca -0.47 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2cue h SER 6 Cb 1.29 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2cue h SER 6 CO 0.41 0.34 -0.26 0.61 -0.53 0.00 0.00 176.83 177.41 2cue n GLY 7 N -0.78 -2.49 3.43 5.77 0.00 -1.26 -5.11 105.19 104.76 2cue n GLY 7 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.85 1.25 -0.27 1.61 1.03 -1.26 -5.15 119.66 116.02 2cue s GLN 8 Ca 0.03 -0.36 -0.01 0.00 0.04 0.00 0.00 55.36 55.05 2cue s GLN 8 Cb -0.01 0.58 0.04 0.00 0.03 0.00 0.00 33.01 33.65 2cue s GLN 8 CO 0.25 -0.53 -0.04 0.50 -2.54 0.00 0.00 175.29 172.93 2cue s ARG 9 N -3.38 2.63 -0.39 9.60 6.06 -1.26 -5.07 118.95 127.14 2cue s ARG 9 Ca -0.01 -1.12 0.00 0.00 -2.50 0.00 0.00 55.73 52.10 2cue s ARG 9 Cb -0.01 -3.07 0.11 0.00 0.06 0.00 0.00 34.95 32.04 2cue s ARG 9 CO -0.10 -0.51 0.15 1.21 -2.50 0.00 0.00 175.30 173.56 2cue s ASN 10 N 1.28 5.02 0.50 -2.12 3.84 -1.26 -5.10 114.94 117.11 2cue s ASN 10 Ca -0.03 -2.16 -0.21 0.00 0.21 0.00 0.00 52.86 50.67 2cue s ASN 10 Cb -0.18 -1.74 -0.07 0.00 -0.55 0.00 0.00 41.25 38.71 2cue s ASN 10 CO -0.03 -0.46 1.15 -0.13 -2.79 0.00 0.00 177.10 174.84 2cue s ARG 11 N 0.94 3.55 0.21 0.43 0.52 -1.26 -5.01 118.95 118.33 2cue s ARG 11 Ca 0.10 1.70 -0.24 0.00 -0.52 0.00 0.00 55.73 56.77 2cue s ARG 11 Cb -0.21 -2.20 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 2cue s ARG 11 CO -0.06 -0.71 0.79 -0.08 0.02 0.00 0.00 175.30 175.27 2cue s THR 12 N -1.66 4.39 -0.16 0.02 -1.32 -1.26 -4.99 115.64 110.67 2cue s THR 12 Ca 0.68 1.62 -0.08 0.00 -1.21 0.00 0.00 61.69 62.70 2cue s THR 12 Cb -0.26 -4.05 -0.07 0.00 -1.51 0.00 0.00 72.50 66.61 2cue s THR 12 CO 0.31 0.37 -0.20 -1.20 -2.21 0.00 0.00 174.62 171.69 2cue n SER 13 N 1.18 1.17 -4.37 8.08 7.64 -1.26 -5.04 113.62 121.02 2cue n SER 13 Ca -0.03 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.73 2cue n SER 13 Cb 0.49 -0.46 0.23 0.00 -1.01 0.00 0.00 64.21 63.46 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 -3.69 -1.43 -4.28 1.43 3.72 -1.26 -5.03 117.46 106.92 2cue n PHE 14 Ca -0.31 -0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 56.75 2cue n PHE 14 Cb 0.72 -1.62 -0.10 0.00 -0.94 0.00 0.00 39.48 37.54 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 -2.32 3.10 0.59 4.37 -4.23 -1.26 -4.98 115.64 110.92 2cue s THR 15 Ca 0.63 -1.48 0.29 0.00 -1.18 0.00 0.00 61.69 59.94 2cue s THR 15 Cb -0.20 -2.47 0.38 0.00 1.34 0.00 0.00 72.50 71.55 2cue s THR 15 CO 0.66 0.04 1.86 -0.61 -0.54 0.00 0.00 174.62 176.03 2cue h GLN 16 N 3.44 0.00 0.00 3.99 -0.00 -1.99 0.67 115.11 121.23 2cue h GLN 16 Ca -0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.03 2cue h GLN 16 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.64 2cue h GLN 16 CO 0.50 0.00 -0.64 0.93 0.00 0.00 0.00 178.83 179.62 2cue h GLU 17 N 0.00 0.00 0.10 1.69 4.39 -2.00 -2.88 114.58 115.88 2cue h GLU 17 Ca 0.22 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.57 2cue h GLU 17 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 2cue h GLU 17 CO -0.00 0.64 -1.95 1.04 -1.16 0.00 0.00 179.01 177.58 2cue n GLN 18 N -3.66 0.74 -0.11 2.33 6.02 0.21 -4.17 117.38 118.75 2cue n GLN 18 Ca -0.01 0.27 -0.07 0.00 -0.01 0.00 0.00 57.00 57.18 2cue n GLN 18 Cb 0.66 -1.72 0.01 0.00 1.02 0.00 0.00 30.24 30.21 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 0.97 -0.74 5.09 2.04 -0.89 0.57 117.51 124.61 2cue h ILE 19 Ca -0.40 -0.12 0.16 0.00 1.00 0.00 0.00 64.86 65.50 2cue h ILE 19 Cb 2.03 0.59 -0.11 0.00 -0.74 0.00 0.00 36.82 38.59 2cue h ILE 19 CO 0.09 0.06 0.21 1.05 0.00 0.00 0.00 178.15 179.56 2cue h GLU 20 N 0.35 0.29 -0.02 2.37 4.11 -1.69 0.67 114.58 120.66 2cue h GLU 20 Ca 0.15 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.38 2cue h GLU 20 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2cue h GLU 20 CO -0.12 0.19 -0.80 0.00 0.07 0.00 0.00 179.01 178.36 2cue h ALA 21 N 1.60 0.60 0.00 1.06 0.00 -1.60 -2.22 119.26 118.70 2cue h ALA 21 Ca 0.42 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2cue h ALA 21 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2cue h ALA 21 CO -0.49 0.84 -0.41 -0.07 0.00 0.00 0.00 179.25 179.12 2cue h LEU 22 N 0.15 0.00 0.20 0.00 3.38 0.13 -2.59 115.31 116.58 2cue h LEU 22 Ca -0.04 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.60 2cue h LEU 22 Cb 1.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.15 2cue h LEU 22 CO 0.12 0.41 -1.56 -0.33 0.09 0.00 0.00 178.44 177.18 2cue h GLU 23 N 0.00 0.41 0.00 1.13 5.08 0.30 -3.10 114.58 118.41 2cue h GLU 23 Ca -0.00 -0.71 -0.06 0.00 -1.00 0.00 0.00 59.36 57.59 2cue h GLU 23 Cb 0.92 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2cue h GLU 23 CO 0.05 1.32 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.86 2cue h LYS 24 N 0.11 0.00 0.00 2.33 3.64 -1.36 -1.05 116.57 120.24 2cue h LYS 24 Ca -0.27 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 2cue h LYS 24 Cb 2.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 2cue h LYS 24 CO 0.22 0.31 -0.30 1.49 -2.27 0.00 0.00 179.45 178.89 2cue h GLU 25 N 0.00 0.00 0.21 1.90 4.57 -1.55 -3.30 114.58 116.42 2cue h GLU 25 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 2cue h GLU 25 Cb 0.55 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2cue h GLU 25 CO 0.04 0.30 -1.65 0.35 -1.18 0.00 0.00 179.01 176.87 2cue h PHE 26 N 0.00 0.81 -0.03 0.92 3.04 -1.32 -2.52 116.94 117.83 2cue h PHE 26 Ca -0.00 -0.59 0.01 0.00 3.98 0.00 0.00 57.97 61.37 2cue h PHE 26 Cb 1.22 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.69 2cue h PHE 26 CO 0.00 1.63 0.09 1.05 -2.02 0.00 0.00 178.31 179.06 2cue h GLU 27 N 0.12 0.00 0.03 1.11 4.11 -1.29 -2.06 114.58 116.60 2cue h GLU 27 Ca -0.31 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.75 2cue h GLU 27 Cb 2.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.32 2cue h GLU 27 CO 0.21 0.00 -2.29 -2.13 0.07 0.00 0.00 179.01 174.87 2cue n ARG 28 N -3.34 0.68 -3.67 1.06 0.63 -1.24 -4.98 116.66 105.80 2cue n ARG 28 Ca -0.02 0.15 -0.09 0.00 -0.92 0.00 0.00 57.85 56.97 2cue n ARG 28 Cb 0.17 -1.58 -0.09 0.00 0.45 0.00 0.00 32.46 31.40 2cue n ARG 28 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2cue s THR 29 N -2.53 -0.01 -0.73 5.15 -1.32 -0.78 -5.02 115.64 110.40 2cue s THR 29 Ca -0.24 0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.55 2cue s THR 29 Cb 0.08 -0.78 0.25 0.00 -1.51 0.00 0.00 72.50 70.55 2cue s THR 29 CO 0.70 0.02 1.72 1.41 -2.21 0.00 0.00 174.62 176.26 2cue n HIS 30 N 4.22 0.86 -3.71 9.09 8.25 -1.24 -3.85 115.22 128.84 2cue n HIS 30 Ca -0.22 0.25 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 2cue n HIS 30 Cb 0.57 -0.89 -0.11 0.00 1.12 0.00 0.00 29.99 30.67 2cue n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2cue n TYR 31 N -2.23 1.75 -2.04 4.41 4.01 -1.26 -4.94 117.16 116.86 2cue n TYR 31 Ca 0.05 -3.95 -0.38 0.00 -0.16 0.00 0.00 57.90 53.47 2cue n TYR 31 Cb 0.43 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2cue n TYR 31 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2cue s PRO 32 N -0.95 2.62 1.03 -0.72 0.04 -1.26 -4.97 135.00 130.78 2cue s PRO 32 Ca 0.28 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 2cue s PRO 32 Cb -0.01 -4.44 0.10 0.00 0.04 0.00 0.00 34.50 30.19 2cue s PRO 32 CO -0.18 -2.79 -0.04 -0.25 0.04 0.00 0.00 177.00 173.79 2cue n ASP 33 N 12.86 -2.75 -0.21 6.66 8.00 -1.26 -3.80 116.55 136.05 2cue n ASP 33 Ca 0.22 -0.24 0.16 0.00 0.71 0.00 0.00 54.79 55.64 2cue n ASP 33 Cb 0.52 -0.78 0.49 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.25 0.76 0.00 2.53 3.04 -1.99 0.53 116.25 118.87 2cue h VAL 34 Ca -0.35 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2cue h VAL 34 Cb 1.02 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2cue h VAL 34 CO 0.23 0.08 0.00 -0.26 -1.01 0.00 0.00 177.57 176.61 2cue h PHE 35 N 0.45 0.00 0.00 3.17 0.04 -2.00 -0.98 116.94 117.62 2cue h PHE 35 Ca 0.41 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.88 2cue h PHE 35 Cb 0.94 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 2cue h PHE 35 CO -0.00 0.00 -1.75 0.00 -0.60 0.00 0.00 178.31 175.96 2cue n ALA 36 N -1.98 0.94 -0.32 2.45 0.00 0.17 -3.70 120.51 118.07 2cue n ALA 36 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 53.44 52.65 2cue n ALA 36 Cb 0.23 -0.19 0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 1.21 0.63 0.00 3.08 -1.09 -0.30 114.38 116.91 2cue h ARG 37 Ca -0.46 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.46 2cue h ARG 37 Cb 1.36 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2cue h ARG 37 CO -0.28 0.84 -0.30 0.93 -1.07 0.00 0.00 179.97 180.09 2cue h GLU 38 N 1.24 -0.82 -0.62 0.04 5.08 -1.39 0.40 114.58 118.50 2cue h GLU 38 Ca 0.32 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 2cue h GLU 38 Cb -0.06 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 2cue h GLU 38 CO -0.06 -0.50 0.31 0.00 -1.00 0.00 0.00 179.01 177.76 2cue h ARG 39 N -1.02 0.56 -0.54 2.33 2.47 -1.61 -2.10 114.38 114.47 2cue h ARG 39 Ca -0.09 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.51 2cue h ARG 39 Cb 0.70 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 2cue h ARG 39 CO 0.14 0.37 -0.03 1.25 0.56 0.00 0.00 179.97 182.27 2cue h LEU 40 N 0.58 0.96 -1.49 3.04 5.85 -1.01 -2.64 115.31 120.59 2cue h LEU 40 Ca 0.29 -0.32 0.34 0.00 0.84 0.00 0.00 57.88 59.03 2cue h LEU 40 Cb 0.23 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 2cue h LEU 40 CO -0.21 1.05 0.78 0.00 -0.34 0.00 0.00 178.44 179.71 2cue h ALA 41 N 0.94 2.57 0.00 1.25 0.00 0.52 1.19 119.26 125.74 2cue h ALA 41 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2cue h ALA 41 Cb 0.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2cue h ALA 41 CO 0.03 -1.05 -0.89 0.00 0.00 0.00 0.00 179.25 177.34 2cue n ALA 42 N -2.55 2.90 0.08 0.00 0.00 -1.08 0.36 120.51 120.23 2cue n ALA 42 Ca 0.30 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2cue n ALA 42 Cb 1.14 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 0.08 0.00 0.00 1.63 0.17 -3.31 116.57 115.14 2cue h LYS 43 Ca 0.00 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2cue h LYS 43 Cb 0.84 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2cue h LYS 43 CO 0.00 0.94 0.00 0.44 -3.45 0.00 0.00 179.45 177.38 2cue n ILE 44 N -3.53 0.62 -3.53 2.00 -5.35 -0.19 -5.01 119.36 104.36 2cue n ILE 44 Ca -0.02 -0.81 -0.19 0.00 -0.27 0.00 0.00 62.75 61.46 2cue n ILE 44 Cb 0.85 0.69 0.07 0.00 -1.74 0.00 0.00 39.64 39.52 2cue n ILE 44 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2cue n ASP 45 N -0.31 -2.10 -4.24 7.28 8.00 -0.50 -4.83 116.55 119.84 2cue n ASP 45 Ca 0.00 -0.68 -0.22 0.00 0.71 0.00 0.00 54.79 54.60 2cue n ASP 45 Cb 0.16 -4.78 -0.13 0.00 -0.02 0.00 0.00 41.12 36.35 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cue s LEU 46 N -6.53 2.27 0.30 0.64 1.43 0.16 -5.00 118.68 111.95 2cue s LEU 46 Ca 0.05 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 2cue s LEU 46 Cb -0.02 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.33 2cue s LEU 46 CO 0.76 0.03 1.23 -2.16 0.23 0.00 0.00 176.35 176.44 2cue s PRO 47 N -1.74 4.46 0.44 1.29 0.04 -1.26 -4.29 135.00 133.94 2cue s PRO 47 Ca 0.04 2.06 0.19 0.00 0.04 0.00 0.00 61.00 63.33 2cue s PRO 47 Cb -0.10 -3.12 1.04 0.00 0.04 0.00 0.00 34.50 32.36 2cue s PRO 47 CO 0.03 -0.05 1.53 1.49 0.04 0.00 0.00 177.00 180.04 2cue h GLU 48 N 3.67 0.00 0.19 4.56 4.81 -1.93 0.28 114.58 126.16 2cue h GLU 48 Ca -0.48 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.43 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 0.67 0.00 -1.47 0.00 -0.73 0.00 0.00 179.01 177.48 2cue h ALA 49 N 1.27 0.02 0.25 2.92 0.00 -1.96 -3.30 119.26 118.46 2cue h ALA 49 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 2cue h ALA 49 Cb 0.61 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cue h ALA 49 CO 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 179.25 180.02 2cue h ARG 50 N 0.11 -0.32 -0.77 0.00 2.47 -0.80 -3.04 114.38 112.02 2cue h ARG 50 Ca -0.24 0.02 0.18 0.00 -1.26 0.00 0.00 59.98 58.68 2cue h ARG 50 Cb 2.09 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 30.35 2cue h ARG 50 CO 0.23 -0.09 0.06 0.82 0.56 0.00 0.00 179.97 181.54 2cue h ILE 51 N -0.50 0.36 -0.69 2.04 2.04 -1.67 0.18 117.51 119.26 2cue h ILE 51 Ca -0.03 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.91 2cue h ILE 51 Cb 0.38 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 2cue h ILE 51 CO 0.06 0.03 0.21 1.56 0.00 0.00 0.00 178.15 180.00 2cue h GLN 52 N 0.14 0.33 0.28 2.37 4.20 -1.61 0.49 115.11 121.30 2cue h GLN 52 Ca 0.43 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 2cue h GLN 52 Cb 0.77 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2cue h GLN 52 CO -0.64 0.22 -0.13 0.28 -0.67 0.00 0.00 178.83 177.88 2cue h VAL 53 N 0.34 0.68 -1.05 -0.54 2.07 -0.69 -0.85 116.25 116.20 2cue h VAL 53 Ca 0.38 -0.76 0.29 0.00 0.82 0.00 0.00 66.70 67.42 2cue h VAL 53 Cb 0.59 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2cue h VAL 53 CO -0.43 0.14 0.72 -0.25 0.02 0.00 0.00 177.57 177.77 2cue h TRP 54 N -0.83 0.30 0.18 1.57 7.01 -0.67 0.23 115.95 123.74 2cue h TRP 54 Ca -0.04 0.01 -0.31 0.00 2.11 0.00 0.00 58.89 60.66 2cue h TRP 54 Cb 0.51 -0.09 0.02 0.00 -2.10 0.00 0.00 29.16 27.50 2cue h TRP 54 CO 0.04 0.03 -1.41 0.74 -2.79 0.00 0.00 178.44 175.05 2cue h PHE 55 N 0.18 0.69 0.12 2.65 -1.00 -0.84 -3.22 116.94 115.53 2cue h PHE 55 Ca 0.54 -0.51 0.01 0.00 2.81 0.00 0.00 57.97 60.82 2cue h PHE 55 Cb 1.77 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 41.29 2cue h PHE 55 CO -0.00 1.43 -0.14 1.03 -1.61 0.00 0.00 178.31 179.02 2cue h SER 56 N 0.10 -0.38 -0.30 2.17 0.87 0.91 -1.81 113.55 115.12 2cue h SER 56 Ca -0.21 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2cue h SER 56 Cb 2.07 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 64.15 2cue h SER 56 CO 0.22 -0.21 0.20 0.78 -0.53 0.00 0.00 176.83 177.29 2cue h ASN 57 N -0.30 0.21 0.22 6.23 2.35 -1.44 -2.57 115.58 120.28 2cue h ASN 57 Ca 0.01 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2cue h ASN 57 Cb 0.30 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2cue h ASN 57 CO -0.05 0.15 -0.11 0.03 -1.65 0.00 0.00 177.43 175.80 2cue h ARG 58 N 0.25 -0.28 -1.02 0.81 2.47 -1.36 -2.34 114.38 112.90 2cue h ARG 58 Ca 0.13 0.02 0.29 0.00 -1.26 0.00 0.00 59.98 59.15 2cue h ARG 58 Cb 0.20 0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 28.45 2cue h ARG 58 CO -0.02 -0.02 0.60 0.00 0.56 0.00 0.00 179.97 181.08 2cue h ARG 59 N -0.53 0.43 -0.11 0.04 3.08 -0.94 0.77 114.38 117.13 2cue h ARG 59 Ca -0.03 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 2cue h ARG 59 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2cue h ARG 59 CO 0.05 0.28 -0.57 0.00 -1.07 0.00 0.00 179.97 178.67 2cue h ALA 60 N 1.77 0.83 0.00 0.04 0.00 -1.44 0.24 119.26 120.70 2cue h ALA 60 Ca 0.69 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2cue h ALA 60 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2cue h ALA 60 CO -0.51 0.70 -0.43 -0.22 0.00 0.00 0.00 179.25 178.79 2cue h LYS 61 N 0.25 0.00 0.08 0.00 3.64 0.84 -2.81 116.57 118.57 2cue h LYS 61 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 2cue h LYS 61 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2cue h LYS 61 CO 0.09 0.43 -1.55 2.35 -2.27 0.00 0.00 179.45 178.50 2cue h TRP 62 N 0.00 0.29 0.00 1.91 7.01 -0.01 -3.04 115.95 122.11 2cue h TRP 62 Ca -0.00 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.77 2cue h TRP 62 Cb 1.25 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.30 2cue h TRP 62 CO 0.00 1.61 -0.06 0.00 -2.79 0.00 0.00 178.44 177.20 2cue h ARG 63 N -0.44 0.00 0.14 2.65 3.08 -0.63 0.18 114.38 119.36 2cue h ARG 63 Ca -0.36 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.35 2cue h ARG 63 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 2cue h ARG 63 CO -0.03 0.06 -1.75 0.07 -1.07 0.00 0.00 179.97 177.25 2cue h ARG 64 N 0.00 0.30 0.00 0.04 0.11 -1.63 -3.37 114.38 109.83 2cue h ARG 64 Ca -0.00 -0.52 -0.00 0.00 0.10 0.00 0.00 59.98 59.56 2cue h ARG 64 Cb 0.30 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2cue h ARG 64 CO 0.01 1.19 -0.01 0.93 0.10 0.00 0.00 179.97 182.18 2cue h GLU 65 N 0.08 0.01 -1.55 0.08 5.08 -1.35 -3.18 114.58 113.75 2cue h GLU 65 Ca -0.33 -0.01 0.50 0.00 -1.00 0.00 0.00 59.36 58.52 2cue h GLU 65 Cb 2.06 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.19 2cue h GLU 65 CO 0.15 0.80 1.04 0.39 -1.00 0.00 0.00 179.01 180.39 2cue n GLU 66 N -4.70 -0.02 -0.02 2.33 -0.58 0.58 0.10 120.64 118.33 2cue n GLU 66 Ca -0.09 1.18 -0.16 0.00 -0.42 0.00 0.00 57.16 57.67 2cue n GLU 66 Cb 0.39 -2.44 -0.12 0.00 -0.57 0.00 0.00 31.44 28.71 2cue n GLU 66 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2cue h LYS 67 N 0.00 0.16 -1.33 3.49 6.56 -1.72 -3.27 116.57 120.46 2cue h LYS 67 Ca 0.88 -0.20 0.43 0.00 -1.06 0.00 0.00 60.65 60.71 2cue h LYS 67 Cb 3.10 0.06 -0.13 0.00 -0.57 0.00 0.00 32.23 34.69 2cue h LYS 67 CO -0.31 0.98 0.86 -0.07 -2.06 0.00 0.00 179.45 178.85 2cue h LEU 68 N -0.57 0.24 -0.32 2.94 3.38 0.71 1.31 115.31 123.00 2cue h LEU 68 Ca -0.04 0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 2cue h LEU 68 Cb 1.10 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2cue h LEU 68 CO 0.06 -0.17 -0.63 -0.09 0.09 0.00 0.00 178.44 177.69 2cue h ARG 69 N 0.09 0.73 0.00 1.13 2.43 -1.55 -3.00 114.38 114.21 2cue h ARG 69 Ca 0.82 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2cue h ARG 69 Cb 2.58 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 32.21 2cue h ARG 69 CO -0.40 1.13 -0.12 -2.95 -1.51 0.00 0.00 179.97 176.12 2cue h ASN 70 N 0.54 0.00 0.33 -3.80 -1.07 0.16 -2.15 115.58 109.59 2cue h ASN 70 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2cue h ASN 70 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 2cue h ASN 70 CO 0.13 0.12 0.00 0.00 0.07 0.00 0.00 177.43 177.75 2cue n GLN 71 N -3.37 0.23 -0.43 4.14 1.13 -0.40 -2.07 117.38 116.62 2cue n GLN 71 Ca -0.01 0.13 0.08 0.00 -1.94 0.00 0.00 57.00 55.27 2cue n GLN 71 Cb 0.32 -1.50 0.25 0.00 0.11 0.00 0.00 30.24 29.42 2cue n GLN 71 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2cue n ARG 72 N -1.29 2.79 -3.50 -1.09 0.63 -0.81 -4.95 116.66 108.44 2cue n ARG 72 Ca 0.08 -2.84 -0.24 0.00 -0.92 0.00 0.00 57.85 53.94 2cue n ARG 72 Cb 0.14 -1.83 0.07 0.00 0.45 0.00 0.00 32.46 31.29 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 -0.59 -7.45 -3.93 -0.14 3.00 -0.88 -4.97 116.66 101.69 2cue n ARG 73 Ca 0.21 0.83 -0.33 0.00 -0.01 0.00 0.00 57.85 58.56 2cue n ARG 73 Cb 0.88 -5.84 -0.14 0.00 0.00 0.00 0.00 32.46 27.37 2cue n ARG 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2cue s GLN 74 N -6.21 1.73 -1.48 5.56 -0.44 -1.22 -4.70 119.66 112.89 2cue s GLN 74 Ca 0.54 -1.81 -0.07 0.00 -2.50 0.00 0.00 55.36 51.52 2cue s GLN 74 Cb -0.24 -3.32 0.02 0.00 -1.64 0.00 0.00 33.01 27.83 2cue s GLN 74 CO 0.67 -0.96 0.78 0.45 0.50 0.00 0.00 175.29 176.73 2cue n SER 75 N 4.39 -5.89 -2.77 6.67 2.88 -1.26 -4.20 113.62 113.44 2cue n SER 75 Ca 0.00 -0.40 -0.02 0.00 -1.33 0.00 0.00 58.87 57.13 2cue n SER 75 Cb 0.42 -4.73 0.02 0.00 -0.75 0.00 0.00 64.21 59.17 2cue n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cue s GLY 76 N -2.91 -1.62 0.30 0.46 0.00 -1.26 -4.92 107.32 97.38 2cue s GLY 76 Ca 0.42 0.49 -0.29 0.00 0.00 0.00 0.00 44.72 45.34 2cue s GLY 76 CO 0.51 4.10 1.23 2.56 0.00 0.00 0.00 173.10 181.50 2cue s PRO 77 N 1.28 4.46 0.37 2.90 0.04 -1.26 -4.55 135.00 138.25 2cue s PRO 77 Ca 0.22 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.39 2cue s PRO 77 Cb 0.06 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 2cue s PRO 77 CO -0.10 -0.05 -0.01 -1.12 0.04 0.00 0.00 177.00 175.77 2cue s SER 78 N -0.58 3.47 0.29 6.66 0.01 -1.26 -5.14 113.70 117.15 2cue s SER 78 Ca 0.48 -1.32 0.08 0.00 1.31 0.00 0.00 55.95 56.49 2cue s SER 78 Cb -0.37 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 2cue s SER 78 CO 0.48 -0.42 0.17 -0.94 0.41 0.00 0.00 173.24 172.93 2cue s SER 79 N -3.63 5.11 0.00 2.44 1.04 -1.26 -5.20 113.70 112.20 2cue s SER 79 Ca 0.34 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2cue s SER 79 Cb 0.08 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2cue s SER 79 CO 0.17 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.84