#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq0 n LYS 2 N 0.00 3.34 -3.64 0.00 5.02 -1.26 -4.95 118.16 116.67 1bq0 n LYS 2 Ca 0.00 -4.00 -0.03 0.00 -2.02 0.00 0.00 58.31 52.26 1bq0 n LYS 2 Cb 0.00 -2.29 -0.05 0.00 -0.02 0.00 0.00 35.03 32.66 1bq0 n LYS 2 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1bq0 s GLN 3 N -3.96 0.10 0.00 1.97 -2.07 -1.26 -5.17 119.66 109.28 1bq0 s GLN 3 Ca 0.49 0.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.09 1bq0 s GLN 3 Cb 0.38 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1bq0 s GLN 3 CO -0.31 -0.02 0.00 -3.47 -1.32 0.00 0.00 175.29 170.17 1bq0 n ASP 4 N 1.02 0.00 0.00 12.60 2.03 -1.26 -5.05 116.55 125.89 1bq0 n ASP 4 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1bq0 n ASP 4 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1bq0 n ASP 4 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1bq0 n TYR 5 N 0.00 -0.60 0.07 -0.67 4.02 -1.26 -4.70 117.16 114.02 1bq0 n TYR 5 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1bq0 n TYR 5 Cb 0.00 0.14 0.16 0.00 -0.02 0.00 0.00 39.34 39.62 1bq0 n TYR 5 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1bq0 h TYR 6 N 0.00 0.39 0.00 -0.72 5.03 -1.96 -2.16 116.97 117.55 1bq0 h TYR 6 Ca 0.00 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1bq0 h TYR 6 Cb 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1bq0 h TYR 6 CO 0.00 0.73 -0.54 -1.91 -1.32 0.00 0.00 178.16 175.12 1bq0 n GLU 7 N -3.98 0.16 0.14 1.82 2.13 -1.26 -3.65 120.64 115.99 1bq0 n GLU 7 Ca -0.02 0.04 0.01 0.00 0.66 0.00 0.00 57.16 57.85 1bq0 n GLU 7 Cb 0.53 -1.60 0.14 0.00 0.27 0.00 0.00 31.44 30.78 1bq0 n GLU 7 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1bq0 h ILE 8 N 0.00 1.19 -0.10 6.31 6.09 -1.67 -2.96 117.51 126.37 1bq0 h ILE 8 Ca 0.00 -2.19 0.00 0.00 -1.37 0.00 0.00 64.86 61.30 1bq0 h ILE 8 Cb 0.63 2.26 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1bq0 h ILE 8 CO 0.00 0.57 0.00 0.18 -3.07 0.00 0.00 178.15 175.83 1bq0 n LEU 9 N -3.51 0.70 -1.17 2.19 4.77 -1.11 -4.82 117.00 114.05 1bq0 n LEU 9 Ca 0.00 -0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 55.51 1bq0 n LEU 9 Cb 0.67 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1bq0 n LEU 9 CO 0.41 0.16 -0.14 0.61 -1.33 0.00 0.00 177.39 177.10 1bq0 n GLY 10 N 0.57 0.43 4.01 -0.72 0.00 -1.12 -4.77 105.19 103.59 1bq0 n GLY 10 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1bq0 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bq0 s VAL 11 N -2.53 2.29 -2.00 1.61 1.01 -1.24 -4.96 120.40 114.58 1bq0 s VAL 11 Ca 0.00 -0.82 0.20 0.00 0.00 0.00 0.00 61.98 61.35 1bq0 s VAL 11 Cb 0.00 -2.47 0.56 0.00 0.00 0.00 0.00 36.38 34.48 1bq0 s VAL 11 CO 0.00 0.00 1.71 -1.20 0.00 0.00 0.00 175.10 175.61 1bq0 n SER 12 N -2.42 0.00 -1.35 3.32 7.64 -1.26 -4.68 113.62 114.87 1bq0 n SER 12 Ca 0.14 -1.22 -0.02 0.00 1.01 0.00 0.00 58.87 58.78 1bq0 n SER 12 Cb 0.61 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1bq0 n LYS 13 N -0.84 -1.41 -0.10 1.43 2.85 -1.25 -4.38 118.16 114.45 1bq0 n LYS 13 Ca 0.15 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1bq0 n LYS 13 Cb 0.07 -4.27 0.00 0.00 -0.65 0.00 0.00 35.03 30.18 1bq0 n LYS 13 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1bq0 n THR 14 N -1.45 0.00 -0.04 0.58 -2.24 -1.26 -4.94 114.28 104.93 1bq0 n THR 14 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1bq0 n THR 14 Cb 0.16 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1bq0 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bq0 n ALA 15 N 0.00 0.00 -2.42 6.98 0.00 -1.26 -5.14 120.51 118.67 1bq0 n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bq0 n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1bq0 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bq0 n GLU 16 N 0.00 0.00 -0.01 0.00 1.02 -1.26 -5.03 120.64 115.36 1bq0 n GLU 16 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1bq0 n GLU 16 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1bq0 n GLU 16 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1bq0 h GLU 17 N 0.00 0.01 -0.47 3.49 5.08 -1.94 -3.14 114.58 117.61 1bq0 h GLU 17 Ca 0.00 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1bq0 h GLU 17 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1bq0 h GLU 17 CO 0.00 0.56 0.37 0.07 -1.00 0.00 0.00 179.01 179.01 1bq0 h ARG 18 N 0.00 0.00 0.00 2.33 -0.00 -1.97 0.17 114.38 114.91 1bq0 h ARG 18 Ca -0.27 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 59.42 1bq0 h ARG 18 Cb 1.99 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.91 1bq0 h ARG 18 CO 0.08 0.00 -2.10 -1.91 -0.00 0.00 0.00 179.97 176.04 1bq0 n GLU 19 N -4.22 0.91 0.15 0.08 2.13 -1.26 -3.80 120.64 114.64 1bq0 n GLU 19 Ca 0.08 0.06 0.12 0.00 0.66 0.00 0.00 57.16 58.09 1bq0 n GLU 19 Cb 0.57 -1.40 0.54 0.00 0.27 0.00 0.00 31.44 31.43 1bq0 n GLU 19 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1bq0 n ILE 20 N -2.86 0.88 0.00 6.31 0.13 -1.06 0.31 119.36 123.07 1bq0 n ILE 20 Ca -0.31 0.42 -0.11 0.00 -1.10 0.00 0.00 62.75 61.65 1bq0 n ILE 20 Cb 0.93 -1.38 -0.14 0.00 -0.84 0.00 0.00 39.64 38.21 1bq0 n ILE 20 CO 0.00 0.00 0.00 0.08 2.80 0.00 0.00 176.55 179.43 1bq0 h ARG 21 N 0.00 0.06 0.00 9.51 0.11 -0.83 -1.63 114.38 121.61 1bq0 h ARG 21 Ca 0.00 -0.11 -0.20 0.00 0.10 0.00 0.00 59.98 59.77 1bq0 h ARG 21 Cb 0.24 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.32 1bq0 h ARG 21 CO 0.00 0.72 -1.76 1.17 0.10 0.00 0.00 179.97 180.20 1bq0 n LYS 22 N -3.19 0.64 0.01 0.08 4.81 -0.71 -3.38 118.16 116.43 1bq0 n LYS 22 Ca -0.17 0.11 -0.06 0.00 -0.87 0.00 0.00 58.31 57.32 1bq0 n LYS 22 Cb 1.04 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 34.34 1bq0 n LYS 22 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bq0 h ALA 23 N 1.37 -0.14 -0.66 3.14 0.00 0.48 0.77 119.26 124.21 1bq0 h ALA 23 Ca -0.24 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.64 1bq0 h ALA 23 Cb 1.70 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 1bq0 h ALA 23 CO 0.04 -0.15 0.11 -0.92 0.00 0.00 0.00 179.25 178.33 1bq0 h TYR 24 N -0.99 0.16 -0.07 0.00 3.20 -1.41 0.69 116.97 118.54 1bq0 h TYR 24 Ca -0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1bq0 h TYR 24 Cb 0.37 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1bq0 h TYR 24 CO 0.07 -0.09 -0.22 -0.22 -1.64 0.00 0.00 178.16 176.06 1bq0 h LYS 25 N 0.22 0.28 -0.54 1.82 3.64 -1.63 0.84 116.57 121.19 1bq0 h LYS 25 Ca 0.36 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1bq0 h LYS 25 Cb 0.58 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1bq0 h LYS 25 CO -0.49 0.82 0.36 -0.09 -2.27 0.00 0.00 179.45 177.78 1bq0 h ARG 26 N -0.22 0.66 0.00 1.90 2.43 0.16 -0.86 114.38 118.46 1bq0 h ARG 26 Ca -0.01 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.84 1bq0 h ARG 26 Cb 0.84 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 1bq0 h ARG 26 CO 0.05 0.44 -1.76 -0.11 -1.51 0.00 0.00 179.97 177.07 1bq0 n LEU 27 N -4.46 0.77 0.22 3.80 -0.00 0.23 -3.91 117.00 113.65 1bq0 n LEU 27 Ca 0.06 0.36 0.09 0.00 -0.00 0.00 0.00 56.01 56.52 1bq0 n LEU 27 Cb 0.09 0.20 0.48 0.00 -0.00 0.00 0.00 43.42 44.19 1bq0 n LEU 27 CO 0.35 0.38 0.80 0.00 -0.00 0.00 0.00 177.39 178.92 1bq0 h ALA 28 N 1.04 1.11 -0.87 1.96 0.00 0.11 -2.92 119.26 119.69 1bq0 h ALA 28 Ca -0.30 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 54.59 1bq0 h ALA 28 Cb 2.00 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.59 1bq0 h ALA 28 CO 0.07 0.33 0.04 1.98 0.00 0.00 0.00 179.25 181.67 1bq0 h MET 29 N 0.00 0.08 0.00 0.00 1.85 -1.28 4.00 114.93 119.58 1bq0 h MET 29 Ca -0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1bq0 h MET 29 Cb 0.68 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1bq0 h MET 29 CO 0.03 0.05 0.51 0.87 -0.40 0.00 0.00 176.91 177.97 1bq0 h LYS 30 N 0.08 0.00 0.00 0.39 1.57 -1.75 -1.86 116.57 115.01 1bq0 h LYS 30 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1bq0 h LYS 30 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1bq0 h LYS 30 CO -0.77 0.00 -0.06 0.66 -0.57 0.00 0.00 179.45 178.71 1bq0 n TYR 31 N -2.74 0.00 -0.88 -1.35 4.01 1.11 -5.08 117.16 112.23 1bq0 n TYR 31 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 1bq0 n TYR 31 Cb 0.54 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.61 1bq0 n TYR 31 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bq0 n HIS 32 N -0.44 -1.34 0.00 -0.72 8.25 0.93 -4.45 115.22 117.44 1bq0 n HIS 32 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 1bq0 n HIS 32 Cb 0.00 -1.39 0.00 0.00 1.12 0.00 0.00 29.99 29.72 1bq0 n HIS 32 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bq0 n PRO 33 N 1.86 1.89 0.00 -0.41 -0.04 -1.26 -3.00 135.00 134.04 1bq0 n PRO 33 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1bq0 n PRO 33 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1bq0 n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bq0 n ASP 34 N 0.00 0.00 0.00 3.54 -0.08 -1.26 -2.73 116.55 116.02 1bq0 n ASP 34 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1bq0 n ASP 34 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1bq0 n ASP 34 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1bq0 h ARG 35 N 0.00 0.01 0.00 -0.67 0.11 -1.91 -3.33 114.38 108.59 1bq0 h ARG 35 Ca 0.00 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.97 1bq0 h ARG 35 Cb 0.00 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 1bq0 h ARG 35 CO 0.00 0.65 -1.21 -0.91 0.10 0.00 0.00 179.97 178.60 1bq0 h ASN 36 N 0.00 0.00 -4.18 0.08 4.21 -1.41 -3.48 115.58 110.80 1bq0 h ASN 36 Ca -0.22 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.22 1bq0 h ASN 36 Cb 1.95 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 39.21 1bq0 h ASN 36 CO 0.09 0.31 -0.25 0.00 -1.29 0.00 0.00 177.43 176.30 1bq0 n GLN 37 N -2.80 -0.92 0.00 0.81 1.13 -1.25 -3.32 117.38 111.02 1bq0 n GLN 37 Ca -0.05 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 1bq0 n GLN 37 Cb 0.71 -3.61 0.00 0.00 0.11 0.00 0.00 30.24 27.45 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bq0 n GLY 38 N -1.37 1.22 0.00 1.08 0.00 -1.26 -4.53 105.19 100.33 1bq0 n GLY 38 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bq0 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bq0 n ASP 39 N 2.56 0.00 0.00 1.61 9.92 -1.21 -4.56 116.55 124.87 1bq0 n ASP 39 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1bq0 n ASP 39 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bq0 n LYS 40 N 0.00 0.00 0.08 -1.24 5.02 -1.25 -2.47 118.16 118.30 1bq0 n LYS 40 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1bq0 n LYS 40 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.19 1bq0 n LYS 40 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1bq0 h GLU 41 N 0.00 0.00 0.00 1.97 5.08 -1.90 -3.23 114.58 116.50 1bq0 h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bq0 h GLU 41 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bq0 h GLU 41 CO 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 179.01 177.33 1bq0 h ALA 42 N 2.42 0.63 -0.58 3.43 0.00 -1.71 -3.23 119.26 120.22 1bq0 h ALA 42 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1bq0 h ALA 42 Cb 0.79 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1bq0 h ALA 42 CO 0.00 0.00 0.15 1.49 0.00 0.00 0.00 179.25 180.89 1bq0 h GLU 43 N 0.00 0.28 0.00 0.00 4.81 -1.79 2.27 114.58 120.15 1bq0 h GLU 43 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bq0 h GLU 43 Cb 0.91 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1bq0 h GLU 43 CO 0.00 0.19 -0.64 0.00 -0.73 0.00 0.00 179.01 177.82 1bq0 h ALA 44 N 1.44 0.62 0.00 2.92 0.00 -1.78 -3.28 119.26 119.19 1bq0 h ALA 44 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 1bq0 h ALA 44 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1bq0 h ALA 44 CO -0.36 0.00 -1.15 -0.22 0.00 0.00 0.00 179.25 177.52 1bq0 h LYS 45 N 0.00 0.00 -0.09 0.00 3.64 -1.13 -3.06 116.57 115.93 1bq0 h LYS 45 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1bq0 h LYS 45 Cb 0.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1bq0 h LYS 45 CO 0.00 0.29 -0.34 0.74 -2.27 0.00 0.00 179.45 177.87 1bq0 h PHE 46 N 0.00 0.21 0.00 1.91 -1.00 0.36 0.40 116.94 118.82 1bq0 h PHE 46 Ca -0.11 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.63 1bq0 h PHE 46 Cb 1.45 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.96 1bq0 h PHE 46 CO 0.00 0.50 0.00 0.36 -1.61 0.00 0.00 178.31 177.56 1bq0 n LYS 47 N -4.10 0.11 -0.02 1.51 2.85 -1.22 0.29 118.16 117.59 1bq0 n LYS 47 Ca -0.01 0.05 -0.21 0.00 -1.05 0.00 0.00 58.31 57.08 1bq0 n LYS 47 Cb 0.41 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.16 1bq0 n LYS 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1bq0 n GLU 48 N -1.44 0.73 -0.03 -1.58 -0.58 0.11 -3.95 120.64 113.90 1bq0 n GLU 48 Ca 0.08 0.28 -0.05 0.00 -0.42 0.00 0.00 57.16 57.05 1bq0 n GLU 48 Cb 0.28 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1bq0 n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1bq0 n ILE 49 N -3.56 0.39 0.26 -3.67 -0.00 0.49 -3.89 119.36 109.38 1bq0 n ILE 49 Ca -0.34 -0.15 0.15 0.00 -0.00 0.00 0.00 62.75 62.41 1bq0 n ILE 49 Cb 1.01 -0.74 0.56 0.00 -0.00 0.00 0.00 39.64 40.47 1bq0 n ILE 49 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1bq0 h LYS 50 N 0.00 0.00 0.00 0.38 3.64 0.42 3.20 116.57 124.21 1bq0 h LYS 50 Ca -0.15 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.99 1bq0 h LYS 50 Cb 1.24 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 1bq0 h LYS 50 CO -0.02 0.05 -1.55 1.49 -2.27 0.00 0.00 179.45 177.15 1bq0 h GLU 51 N 0.00 0.00 0.00 1.90 4.57 0.16 -2.86 114.58 118.35 1bq0 h GLU 51 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1bq0 h GLU 51 Cb 0.64 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1bq0 h GLU 51 CO 0.01 0.44 -0.78 0.00 -1.18 0.00 0.00 179.01 177.49 1bq0 h ALA 52 N 1.16 0.12 0.00 2.92 0.00 -1.53 -3.35 119.26 118.58 1bq0 h ALA 52 Ca -0.22 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1bq0 h ALA 52 Cb 1.84 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1bq0 h ALA 52 CO 0.07 0.52 0.00 2.48 0.00 0.00 0.00 179.25 182.32 1bq0 n TYR 53 N -4.54 0.00 0.18 0.00 0.18 1.06 -3.05 117.16 110.99 1bq0 n TYR 53 Ca -0.19 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.64 1bq0 n TYR 53 Cb 0.46 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 39.69 1bq0 n TYR 53 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1bq0 h GLU 54 N 0.00 0.00 0.00 -3.48 4.81 -1.52 -3.08 114.58 111.32 1bq0 h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bq0 h GLU 54 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1bq0 h GLU 54 CO 0.00 0.42 -1.21 1.55 -0.73 0.00 0.00 179.01 179.03 1bq0 n VAL 55 N -3.50 0.00 0.17 0.32 3.14 -1.17 -4.11 118.33 113.18 1bq0 n VAL 55 Ca 0.00 -0.12 0.03 0.00 -2.96 0.00 0.00 64.34 61.29 1bq0 n VAL 55 Cb 0.55 0.77 0.14 0.00 -1.06 0.00 0.00 33.84 34.25 1bq0 n VAL 55 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bq0 n LEU 56 N -1.67 0.06 -0.10 6.55 4.32 -1.16 -1.77 117.00 123.24 1bq0 n LEU 56 Ca 0.02 0.52 -0.11 0.00 -0.02 0.00 0.00 56.01 56.43 1bq0 n LEU 56 Cb 0.38 -0.52 -0.14 0.00 -1.62 0.00 0.00 43.42 41.52 1bq0 n LEU 56 CO 0.43 -0.46 -1.13 1.07 -1.22 0.00 0.00 177.39 176.08 1bq0 n THR 57 N -1.57 1.26 -2.72 -5.08 5.66 -1.26 -4.48 114.28 106.09 1bq0 n THR 57 Ca 0.01 -0.71 -0.21 0.00 -3.05 0.00 0.00 64.05 60.09 1bq0 n THR 57 Cb 0.06 -0.70 0.03 0.00 -1.55 0.00 0.00 70.33 68.17 1bq0 n THR 57 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1bq0 s ASP 58 N -5.46 5.40 -0.07 1.09 -1.08 -0.73 -4.98 116.67 110.84 1bq0 s ASP 58 Ca -0.14 0.02 0.07 0.00 -0.52 0.00 0.00 52.55 51.98 1bq0 s ASP 58 Cb 0.06 -0.99 -0.10 0.00 -1.46 0.00 0.00 42.92 40.44 1bq0 s ASP 58 CO 0.70 -1.04 0.03 -1.54 0.52 0.00 0.00 175.17 173.84 1bq0 n SER 59 N -2.27 3.08 0.04 -0.34 3.41 -1.26 -4.14 113.62 112.13 1bq0 n SER 59 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1bq0 n SER 59 Cb 0.59 0.72 0.28 0.00 -0.26 0.00 0.00 64.21 65.55 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1bq0 h GLN 60 N 0.00 0.42 0.16 4.33 3.07 -1.96 -2.74 115.11 118.39 1bq0 h GLN 60 Ca -0.20 -0.12 -0.29 0.00 0.09 0.00 0.00 58.65 58.13 1bq0 h GLN 60 Cb 1.43 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 28.96 1bq0 h GLN 60 CO 0.01 0.56 -1.29 0.87 0.09 0.00 0.00 178.83 179.07 1bq0 h LYS 61 N 0.39 0.33 -0.58 0.06 1.57 -1.88 -3.13 116.57 113.34 1bq0 h LYS 61 Ca 0.07 -0.57 0.17 0.00 -1.87 0.00 0.00 60.65 58.46 1bq0 h LYS 61 Cb 0.48 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1bq0 h LYS 61 CO 0.03 1.27 0.75 0.00 -0.57 0.00 0.00 179.45 180.93 1bq0 h ARG 62 N 0.09 0.00 0.00 3.15 2.47 -1.64 2.48 114.38 120.93 1bq0 h ARG 62 Ca -0.16 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.31 1bq0 h ARG 62 Cb 2.01 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.29 1bq0 h ARG 62 CO 0.22 0.00 -1.49 0.00 0.56 0.00 0.00 179.97 179.26 1bq0 h ALA 63 N 1.04 0.67 0.00 0.04 0.00 -1.55 -3.08 119.26 116.39 1bq0 h ALA 63 Ca 0.28 -1.24 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 1bq0 h ALA 63 Cb 1.78 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 1bq0 h ALA 63 CO -0.00 1.40 -0.75 0.00 0.00 0.00 0.00 179.25 179.90 1bq0 h ALA 64 N 1.07 0.13 -0.30 0.00 0.00 0.33 -3.37 119.26 117.13 1bq0 h ALA 64 Ca -0.20 -0.79 0.04 0.00 0.00 0.00 0.00 54.91 53.96 1bq0 h ALA 64 Cb 1.89 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 20.17 1bq0 h ALA 64 CO 0.08 0.49 0.20 0.10 0.00 0.00 0.00 179.25 180.12 1bq0 h TYR 65 N -1.00 0.20 0.00 0.00 -0.00 0.26 0.86 116.97 117.29 1bq0 h TYR 65 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.57 1bq0 h TYR 65 Cb 0.90 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 37.57 1bq0 h TYR 65 CO 0.02 0.12 0.00 0.38 -0.00 0.00 0.00 178.16 178.67 1bq0 h ASP 66 N 0.21 0.00 0.00 0.10 2.03 -1.64 -3.29 116.42 113.83 1bq0 h ASP 66 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1bq0 h ASP 66 Cb 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 1bq0 h ASP 66 CO -0.02 0.00 -0.98 0.00 -1.03 0.00 0.00 179.24 177.21 1bq0 n GLN 67 N -3.02 0.34 -3.50 4.15 6.02 -0.60 -5.03 117.38 115.73 1bq0 n GLN 67 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 1bq0 n GLN 67 Cb 0.32 -0.99 -0.05 0.00 1.02 0.00 0.00 30.24 30.54 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1bq0 s TYR 68 N -1.96 3.51 -0.10 1.08 2.02 0.29 -5.08 117.35 117.11 1bq0 s TYR 68 Ca 0.00 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 1bq0 s TYR 68 Cb 0.00 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1bq0 s TYR 68 CO 0.00 0.40 -0.11 0.20 -1.57 0.00 0.00 175.55 174.47 1bq0 s GLY 69 N -2.09 1.59 -1.09 0.71 0.00 -1.26 -4.67 107.32 100.51 1bq0 s GLY 69 Ca 0.40 -0.90 -0.10 0.00 0.00 0.00 0.00 44.72 44.12 1bq0 s GLY 69 CO 0.21 -0.40 0.88 1.42 0.00 0.00 0.00 173.10 175.21 1bq0 n HIS 70 N 3.00 -2.28 -2.03 1.90 8.25 -1.26 -0.95 115.22 121.84 1bq0 n HIS 70 Ca -0.18 0.74 -0.04 0.00 -0.26 0.00 0.00 57.72 57.99 1bq0 n HIS 70 Cb 0.53 -3.95 -0.01 0.00 1.12 0.00 0.00 29.99 27.68 1bq0 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bq0 n ALA 71 N -3.56 -0.65 -0.25 -1.41 0.00 -1.26 -4.69 120.51 108.69 1bq0 n ALA 71 Ca -0.09 0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1bq0 n ALA 71 Cb 0.61 -0.71 0.32 0.00 0.00 0.00 0.00 19.45 19.68 1bq0 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 n ALA 72 N -1.82 0.56 -2.82 0.00 0.00 -0.13 -4.15 120.51 112.16 1bq0 n ALA 72 Ca -0.04 0.79 -0.25 0.00 0.00 0.00 0.00 53.44 53.94 1bq0 n ALA 72 Cb 0.39 -0.67 -0.16 0.00 0.00 0.00 0.00 19.45 19.02 1bq0 n ALA 72 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bq0 s PHE 73 N -5.43 1.52 -0.30 0.00 0.40 -1.26 -5.00 117.98 107.90 1bq0 s PHE 73 Ca -0.08 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1bq0 s PHE 73 Cb 0.24 -1.02 0.18 0.00 0.51 0.00 0.00 43.02 42.93 1bq0 s PHE 73 CO 0.59 -0.12 1.11 -1.83 0.70 0.00 0.00 175.22 175.67 1bq0 s GLU 74 N -0.05 0.16 -0.20 0.44 -1.05 -1.26 -4.91 118.70 111.82 1bq0 s GLU 74 Ca -0.01 0.33 0.12 0.00 -0.15 0.00 0.00 54.97 55.26 1bq0 s GLU 74 Cb -0.10 0.19 0.43 0.00 -0.44 0.00 0.00 34.13 34.22 1bq0 s GLU 74 CO 0.01 -0.12 1.21 0.00 0.95 0.00 0.00 175.26 177.31 1bq0 n GLN 75 N 5.17 1.73 0.00 -4.83 0.00 -1.26 -4.74 117.38 113.45 1bq0 n GLN 75 Ca -0.08 -3.32 0.00 0.00 0.00 0.00 0.00 57.00 53.61 1bq0 n GLN 75 Cb 0.54 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bq0 n GLY 76 N -0.91 0.00 0.00 2.61 0.00 -1.26 -5.31 105.19 100.32 1bq0 n GLY 76 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93