#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 0.31 -4.14 0.00 2.85 -1.26 -5.16 118.16 110.76 1bq0 n LYS 2 Ca 0.00 -1.07 -0.29 0.00 -1.05 0.00 0.00 58.31 55.90 1bq0 n LYS 2 Cb 0.00 -0.55 -0.08 0.00 -0.65 0.00 0.00 35.03 33.75 1bq0 n LYS 2 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1bq0 s GLN 3 N 0.49 2.52 -0.09 -1.58 -2.07 -1.26 -4.99 119.66 112.68 1bq0 s GLN 3 Ca 0.27 -0.90 0.05 0.00 -1.82 0.00 0.00 55.36 52.96 1bq0 s GLN 3 Cb 0.18 -2.50 0.29 0.00 -1.09 0.00 0.00 33.01 29.88 1bq0 s GLN 3 CO -0.12 0.52 0.97 -3.47 -1.32 0.00 0.00 175.29 171.86 1bq0 n ASP 4 N 0.38 2.72 -1.10 12.60 2.03 -1.26 -4.84 116.55 127.08 1bq0 n ASP 4 Ca -0.10 -2.35 -0.07 0.00 0.52 0.00 0.00 54.79 52.79 1bq0 n ASP 4 Cb 0.53 -0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.20 -0.55 0.04 -0.67 4.01 -1.26 -4.69 117.16 114.23 1bq0 n TYR 5 Ca 0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.82 1bq0 n TYR 5 Cb 0.61 -1.87 -0.09 0.00 -0.31 0.00 0.00 39.34 37.69 1bq0 n TYR 5 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1bq0 h TYR 6 N 0.00 0.00 0.00 -0.72 5.03 -1.90 -3.27 116.97 116.11 1bq0 h TYR 6 Ca -0.15 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.16 1bq0 h TYR 6 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.79 1bq0 h TYR 6 CO 0.23 0.71 -0.78 0.93 -1.32 0.00 0.00 178.16 177.93 1bq0 h GLU 7 N 0.00 0.00 -0.29 1.82 4.39 -1.84 -3.27 114.58 115.40 1bq0 h GLU 7 Ca -0.15 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.59 1bq0 h GLU 7 Cb 1.68 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.29 1bq0 h GLU 7 CO 0.07 0.00 0.01 0.82 -1.16 0.00 0.00 179.01 178.75 1bq0 h ILE 8 N 0.00 0.81 0.00 3.13 5.03 -1.90 0.12 117.51 124.70 1bq0 h ILE 8 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1bq0 h ILE 8 Cb 0.99 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 35.47 1bq0 h ILE 8 CO 0.00 0.02 0.00 0.18 -0.68 0.00 0.00 178.15 177.67 1bq0 n LEU 9 N -5.14 0.00 0.00 1.44 4.77 -1.26 -4.76 117.00 112.05 1bq0 n LEU 9 Ca -0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1bq0 n LEU 9 Cb 0.14 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1bq0 n LEU 9 CO 0.24 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1bq0 n GLY 10 N -0.32 0.56 3.95 -0.72 0.00 0.43 -4.49 105.19 104.60 1bq0 n GLY 10 Ca 0.07 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 2.16 -1.21 1.61 1.01 -1.23 -4.95 120.40 115.78 1bq0 s VAL 11 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1bq0 s VAL 11 Cb 0.00 -2.88 0.41 0.00 0.00 0.00 0.00 36.38 33.91 1bq0 s VAL 11 CO 0.00 0.00 1.24 -1.54 0.00 0.00 0.00 175.10 174.80 1bq0 n SER 12 N -3.14 2.98 -1.44 3.32 3.41 -1.26 -4.57 113.62 112.92 1bq0 n SER 12 Ca 0.12 -2.29 -0.01 0.00 -0.26 0.00 0.00 58.87 56.44 1bq0 n SER 12 Cb 0.60 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1bq0 n LYS 13 N 0.50 -1.57 -0.04 4.33 2.85 -1.26 -4.36 118.16 118.62 1bq0 n LYS 13 Ca 0.15 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1bq0 n LYS 13 Cb 0.58 -4.19 0.00 0.00 -0.65 0.00 0.00 35.03 30.78 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 -1.47 0.00 -0.39 0.58 -2.24 -1.26 -5.05 114.28 104.46 1bq0 n THR 14 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1bq0 n THR 14 Cb 0.16 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.26 6.98 0.00 -1.26 -5.13 120.51 118.84 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.00 -0.58 -1.26 -5.00 120.64 113.80 1bq0 n GLU 16 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1bq0 n GLU 16 Cb 0.00 0.00 0.30 0.00 -0.57 0.00 0.00 31.44 31.17 1bq0 n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1bq0 n GLU 17 N 0.00 0.41 0.08 3.49 2.13 -1.26 -3.41 120.64 122.08 1bq0 n GLU 17 Ca 0.00 -0.24 -0.10 0.00 0.66 0.00 0.00 57.16 57.48 1bq0 n GLU 17 Cb 0.00 -1.49 -0.08 0.00 0.27 0.00 0.00 31.44 30.13 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1bq0 h ARG 18 N 0.59 0.15 0.03 5.31 -0.00 -1.98 -3.11 114.38 115.38 1bq0 h ARG 18 Ca 0.00 -0.22 -0.38 0.00 -0.00 0.00 0.00 59.98 59.38 1bq0 h ARG 18 Cb 0.51 0.07 -0.05 0.00 -0.00 0.00 0.00 29.97 30.50 1bq0 h ARG 18 CO 0.00 1.05 -2.29 -1.91 -0.00 0.00 0.00 179.97 176.82 1bq0 n GLU 19 N -3.52 0.67 0.27 0.08 2.13 -1.26 -3.87 120.64 115.14 1bq0 n GLU 19 Ca -0.04 0.22 0.15 0.00 0.66 0.00 0.00 57.16 58.15 1bq0 n GLU 19 Cb 0.92 -1.58 0.80 0.00 0.27 0.00 0.00 31.44 31.84 1bq0 n GLU 19 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1bq0 h ILE 20 N -0.18 0.00 0.00 6.31 5.03 -1.71 2.82 117.51 129.78 1bq0 h ILE 20 Ca -0.54 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.14 1bq0 h ILE 20 Cb 1.86 0.65 -0.01 0.00 -3.03 0.00 0.00 36.82 36.29 1bq0 h ILE 20 CO -0.10 0.00 -1.00 0.08 -0.68 0.00 0.00 178.15 176.46 1bq0 h ARG 21 N 0.00 0.00 0.00 2.37 0.11 -1.67 -1.80 114.38 113.39 1bq0 h ARG 21 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 1bq0 h ARG 21 Cb 0.33 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1bq0 h ARG 21 CO 0.00 0.12 -1.75 0.36 0.10 0.00 0.00 179.97 178.80 1bq0 n LYS 22 N -2.82 1.04 0.08 0.08 2.85 0.87 -4.06 118.16 116.20 1bq0 n LYS 22 Ca -0.02 -0.08 -0.22 0.00 -1.05 0.00 0.00 58.31 56.94 1bq0 n LYS 22 Cb 0.65 -1.33 -0.15 0.00 -0.65 0.00 0.00 35.03 33.54 1bq0 n LYS 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bq0 h ALA 23 N 1.01 -0.05 -0.58 0.58 0.00 0.47 0.23 119.26 120.93 1bq0 h ALA 23 Ca -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 54.91 53.94 1bq0 h ALA 23 Cb 1.14 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1bq0 h ALA 23 CO 0.01 0.61 0.33 -0.92 0.00 0.00 0.00 179.25 179.28 1bq0 h TYR 24 N -0.15 0.61 0.07 0.00 3.20 -1.43 0.66 116.97 119.93 1bq0 h TYR 24 Ca -0.23 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.39 1bq0 h TYR 24 Cb 1.88 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.94 1bq0 h TYR 24 CO 0.16 0.33 -1.38 0.87 -1.64 0.00 0.00 178.16 176.49 1bq0 h LYS 25 N 0.64 0.15 0.01 1.82 1.79 -1.70 -1.76 116.57 117.51 1bq0 h LYS 25 Ca 0.24 -0.25 -0.20 0.00 -2.18 0.00 0.00 60.65 58.26 1bq0 h LYS 25 Cb 0.08 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1bq0 h LYS 25 CO -0.13 1.00 -0.92 -0.09 -1.08 0.00 0.00 179.45 178.23 1bq0 h ARG 26 N 0.04 0.05 0.00 3.15 9.65 -0.25 -3.04 114.38 123.98 1bq0 h ARG 26 Ca -0.17 -0.06 -0.26 0.00 -1.10 0.00 0.00 59.98 58.39 1bq0 h ARG 26 Cb 1.94 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 30.50 1bq0 h ARG 26 CO 0.15 0.93 -2.04 1.28 2.80 0.00 0.00 179.97 183.09 1bq0 n LEU 27 N -3.50 0.29 0.19 3.80 7.99 0.23 -4.12 117.00 121.88 1bq0 n LEU 27 Ca -0.01 0.13 0.06 0.00 -0.01 0.00 0.00 56.01 56.18 1bq0 n LEU 27 Cb 0.86 0.29 0.31 0.00 -0.11 0.00 0.00 43.42 44.77 1bq0 n LEU 27 CO 0.47 0.33 0.67 0.00 -1.51 0.00 0.00 177.39 177.35 1bq0 h ALA 28 N 1.25 0.95 -0.68 -1.18 0.00 -1.38 -2.97 119.26 115.24 1bq0 h ALA 28 Ca -0.34 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.39 1bq0 h ALA 28 Cb 1.88 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.49 1bq0 h ALA 28 CO 0.03 0.45 0.02 1.98 0.00 0.00 0.00 179.25 181.73 1bq0 h MET 29 N 0.00 0.12 -0.06 0.00 1.85 -1.68 3.13 114.93 118.28 1bq0 h MET 29 Ca -0.00 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.10 1bq0 h MET 29 Cb 0.94 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.95 1bq0 h MET 29 CO 0.05 0.08 0.47 0.87 -0.40 0.00 0.00 176.91 177.98 1bq0 h LYS 30 N 0.12 0.00 0.00 0.39 1.57 -1.74 -2.06 116.57 114.85 1bq0 h LYS 30 Ca 0.37 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1bq0 h LYS 30 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1bq0 h LYS 30 CO -0.58 0.00 -1.42 0.66 -0.57 0.00 0.00 179.45 177.53 1bq0 n TYR 31 N -2.91 0.00 -0.52 -1.35 4.01 0.85 -4.97 117.16 112.27 1bq0 n TYR 31 Ca -0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.66 1bq0 n TYR 31 Cb 0.53 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.54 0.00 0.25 -0.72 8.25 0.84 -4.61 115.22 116.69 1bq0 n HIS 32 Ca -0.12 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1bq0 n HIS 32 Cb 0.66 -0.18 0.67 0.00 1.12 0.00 0.00 29.99 32.27 1bq0 n HIS 32 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bq0 h PRO 33 N 3.82 0.00 -1.00 -0.41 0.13 -1.87 -0.49 132.00 132.18 1bq0 h PRO 33 Ca 0.01 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.53 1bq0 h PRO 33 Cb 0.39 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.35 1bq0 h PRO 33 CO 0.56 0.13 0.47 0.22 -0.23 0.00 0.00 178.00 179.15 1bq0 h ASP 34 N 0.00 0.23 0.00 1.44 3.58 -1.99 0.89 116.42 120.57 1bq0 h ASP 34 Ca -0.00 0.25 -0.22 0.00 0.42 0.00 0.00 57.03 57.48 1bq0 h ASP 34 Cb 0.29 0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 1bq0 h ASP 34 CO 0.02 -0.38 -1.90 -2.11 -2.88 0.00 0.00 179.24 171.98 1bq0 n ARG 35 N -5.26 1.68 -3.04 0.28 1.85 -1.09 -4.79 116.66 106.29 1bq0 n ARG 35 Ca 0.35 -0.02 -0.44 0.00 -1.00 0.00 0.00 57.85 56.74 1bq0 n ARG 35 Cb 1.17 -1.35 -0.00 0.00 -1.05 0.00 0.00 32.46 31.23 1bq0 n ARG 35 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1bq0 s ASN 36 N -4.57 7.09 0.00 2.89 -0.87 0.30 -4.68 114.94 115.11 1bq0 s ASN 36 Ca -0.07 -3.06 0.08 0.00 -1.57 0.00 0.00 52.86 48.25 1bq0 s ASN 36 Cb 0.04 -2.35 0.12 0.00 -0.02 0.00 0.00 41.25 39.05 1bq0 s ASN 36 CO 0.56 -0.66 0.92 0.00 -2.57 0.00 0.00 177.10 175.34 1bq0 n GLN 37 N 5.00 1.11 0.26 -0.60 6.02 -1.21 -3.49 117.38 124.47 1bq0 n GLN 37 Ca 0.32 -1.32 0.17 0.00 -0.01 0.00 0.00 57.00 56.17 1bq0 n GLN 37 Cb 0.42 -1.18 0.87 0.00 1.02 0.00 0.00 30.24 31.38 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bq0 h GLY 38 N 1.64 0.00 0.00 1.08 0.00 -1.92 -3.28 103.07 100.59 1bq0 h GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bq0 h GLY 38 CO 0.00 0.00 -0.54 1.34 0.00 0.00 0.00 176.54 177.34 1bq0 n ASP 39 N -2.76 1.63 0.00 0.19 -0.08 -1.26 -5.01 116.55 109.26 1bq0 n ASP 39 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1bq0 n ASP 39 Cb 0.12 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1bq0 n LYS 40 N -2.21 0.00 0.00 -0.67 5.02 -1.23 -4.76 118.16 114.31 1bq0 n LYS 40 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1bq0 n LYS 40 Cb 0.27 -3.96 0.41 0.00 -0.02 0.00 0.00 35.03 31.72 1bq0 n LYS 40 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1bq0 n GLU 41 N -2.00 0.13 0.20 1.97 0.00 -1.26 -1.73 120.64 117.95 1bq0 n GLU 41 Ca 0.00 0.16 0.13 0.00 0.00 0.00 0.00 57.16 57.45 1bq0 n GLU 41 Cb 0.00 -1.50 0.32 0.00 0.00 0.00 0.00 31.44 30.26 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bq0 h ALA 42 N 2.72 1.00 -0.97 4.31 0.00 -1.86 -3.27 119.26 121.20 1bq0 h ALA 42 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.22 1bq0 h ALA 42 Cb 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.86 1bq0 h ALA 42 CO 0.00 0.00 0.33 1.49 0.00 0.00 0.00 179.25 181.07 1bq0 h GLU 43 N 0.00 0.11 0.07 0.00 4.81 -1.62 0.26 114.58 118.21 1bq0 h GLU 43 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1bq0 h GLU 43 Cb 0.83 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.20 1bq0 h GLU 43 CO 0.00 0.07 -0.45 0.00 -0.73 0.00 0.00 179.01 177.90 1bq0 h ALA 44 N 1.91 -0.05 -1.13 2.92 0.00 -1.81 -3.25 119.26 117.86 1bq0 h ALA 44 Ca 0.69 -0.60 0.41 0.00 0.00 0.00 0.00 54.91 55.40 1bq0 h ALA 44 Cb 1.58 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.27 1bq0 h ALA 44 CO -0.76 0.21 0.67 -0.22 0.00 0.00 0.00 179.25 179.15 1bq0 h LYS 45 N -0.63 0.09 -0.95 0.00 1.63 -0.71 3.21 116.57 119.22 1bq0 h LYS 45 Ca -0.08 -0.01 0.23 0.00 -0.85 0.00 0.00 60.65 59.95 1bq0 h LYS 45 Cb 1.34 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.89 1bq0 h LYS 45 CO 0.08 0.06 0.63 0.74 -3.45 0.00 0.00 179.45 177.52 1bq0 h PHE 46 N 0.10 0.45 -0.02 1.91 -1.00 -1.07 2.52 116.94 119.82 1bq0 h PHE 46 Ca 0.82 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.59 1bq0 h PHE 46 Cb 2.27 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 41.70 1bq0 h PHE 46 CO -0.01 0.09 -0.08 1.57 -1.61 0.00 0.00 178.31 178.28 1bq0 h LYS 47 N 0.32 0.09 -0.05 1.51 2.10 0.57 1.24 116.57 122.35 1bq0 h LYS 47 Ca 0.50 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 59.09 1bq0 h LYS 47 Cb 1.39 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1bq0 h LYS 47 CO -0.17 0.71 0.42 0.93 -2.00 0.00 0.00 179.45 179.34 1bq0 h GLU 48 N -0.51 0.00 0.00 0.07 5.08 0.26 2.93 114.58 122.42 1bq0 h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bq0 h GLU 48 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1bq0 h GLU 48 CO 0.02 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.14 1bq0 n ILE 49 N -2.93 0.00 0.39 3.13 2.08 0.74 -3.52 119.36 119.25 1bq0 n ILE 49 Ca -0.01 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 1bq0 n ILE 49 Cb 0.47 -0.57 0.51 0.00 -0.75 0.00 0.00 39.64 39.31 1bq0 n ILE 49 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1bq0 h LYS 50 N 0.00 0.00 0.08 0.38 3.64 0.16 1.93 116.57 122.75 1bq0 h LYS 50 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1bq0 h LYS 50 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1bq0 h LYS 50 CO 0.00 0.00 -1.74 1.49 -2.27 0.00 0.00 179.45 176.93 1bq0 h GLU 51 N 0.00 0.16 0.00 1.90 4.57 0.50 -2.94 114.58 118.77 1bq0 h GLU 51 Ca 0.00 -0.28 -0.12 0.00 -1.18 0.00 0.00 59.36 57.78 1bq0 h GLU 51 Cb 0.38 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1bq0 h GLU 51 CO 0.00 0.93 -0.86 0.00 -1.18 0.00 0.00 179.01 177.89 1bq0 h ALA 52 N 0.54 0.14 0.00 2.92 0.00 0.18 -3.36 119.26 119.69 1bq0 h ALA 52 Ca -0.31 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1bq0 h ALA 52 Cb 2.02 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1bq0 h ALA 52 CO 0.11 0.56 0.00 2.48 0.00 0.00 0.00 179.25 182.40 1bq0 n TYR 53 N -4.53 0.00 0.12 0.00 0.18 0.65 -2.66 117.16 110.93 1bq0 n TYR 53 Ca -0.20 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.62 1bq0 n TYR 53 Cb 0.49 -0.33 0.46 0.00 -0.38 0.00 0.00 39.34 39.57 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 0.25 -0.64 -3.48 4.81 -1.54 -1.18 114.58 112.80 1bq0 h GLU 54 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1bq0 h GLU 54 Cb 0.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1bq0 h GLU 54 CO 0.00 0.28 0.00 1.33 -0.73 0.00 0.00 179.01 179.89 1bq0 n VAL 55 N -4.38 1.39 1.32 0.32 0.24 -1.09 -3.93 118.33 112.20 1bq0 n VAL 55 Ca -0.00 -0.97 0.13 0.00 -2.04 0.00 0.00 64.34 61.46 1bq0 n VAL 55 Cb 0.18 0.16 0.43 0.00 -1.47 0.00 0.00 33.84 33.13 1bq0 n VAL 55 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bq0 n LEU 56 N 1.06 1.11 -0.01 1.34 4.32 -0.45 -3.55 117.00 120.83 1bq0 n LEU 56 Ca 0.22 -0.31 0.09 0.00 -0.02 0.00 0.00 56.01 56.00 1bq0 n LEU 56 Cb 0.72 -0.09 -0.14 0.00 -1.62 0.00 0.00 43.42 42.29 1bq0 n LEU 56 CO 0.19 0.20 -0.67 1.07 -1.22 0.00 0.00 177.39 176.96 1bq0 n THR 57 N -0.46 0.00 -0.47 -5.08 5.66 -1.25 -4.61 114.28 108.07 1bq0 n THR 57 Ca 0.14 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1bq0 n THR 57 Cb 0.35 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1bq0 n THR 57 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1bq0 n ASP 58 N -2.10 0.00 0.00 1.09 -0.08 -1.23 -4.89 116.55 109.34 1bq0 n ASP 58 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1bq0 n ASP 58 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1bq0 n ASP 58 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1bq0 n SER 59 N 0.00 0.00 0.09 1.67 7.64 -1.26 -4.90 113.62 116.85 1bq0 n SER 59 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1bq0 n SER 59 Cb 0.00 0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1bq0 h GLN 60 N 0.00 0.25 -0.85 1.43 3.07 -1.98 -3.26 115.11 113.77 1bq0 h GLN 60 Ca 0.00 -0.34 0.15 0.00 0.09 0.00 0.00 58.65 58.54 1bq0 h GLN 60 Cb 0.00 0.12 -0.09 0.00 0.08 0.00 0.00 27.48 27.58 1bq0 h GLN 60 CO 0.00 1.10 0.43 0.87 0.09 0.00 0.00 178.83 181.33 1bq0 h LYS 61 N 0.11 0.60 -0.72 0.06 1.57 -1.90 1.45 116.57 117.73 1bq0 h LYS 61 Ca -0.09 -0.04 0.21 0.00 -1.87 0.00 0.00 60.65 58.87 1bq0 h LYS 61 Cb 1.74 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.89 1bq0 h LYS 61 CO 0.17 0.40 0.78 0.00 -0.57 0.00 0.00 179.45 180.22 1bq0 h ARG 62 N 0.62 0.00 0.00 3.15 3.08 -1.72 3.06 114.38 122.56 1bq0 h ARG 62 Ca 0.46 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.22 1bq0 h ARG 62 Cb 0.66 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1bq0 h ARG 62 CO -0.36 0.00 -2.25 0.00 -1.07 0.00 0.00 179.97 176.28 1bq0 n ALA 63 N -2.34 1.74 -0.05 0.04 0.00 0.44 -3.09 120.51 117.26 1bq0 n ALA 63 Ca 0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 1bq0 n ALA 63 Cb 1.02 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 1bq0 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 h ALA 64 N 1.19 -0.00 0.00 0.00 0.00 0.75 -3.32 119.26 117.88 1bq0 h ALA 64 Ca -0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1bq0 h ALA 64 Cb 2.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1bq0 h ALA 64 CO 0.03 -0.00 -0.15 -0.92 0.00 0.00 0.00 179.25 178.20 1bq0 h TYR 65 N -1.00 0.00 -0.82 0.00 3.20 0.44 -1.60 116.97 117.19 1bq0 h TYR 65 Ca -0.00 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 1bq0 h TYR 65 Cb 0.29 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.43 1bq0 h TYR 65 CO 0.08 0.15 0.22 0.22 -1.64 0.00 0.00 178.16 177.20 1bq0 h ASP 66 N 0.00 0.04 0.00 -2.11 3.58 -1.43 -3.42 116.42 113.08 1bq0 h ASP 66 Ca -0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1bq0 h ASP 66 Cb 0.61 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1bq0 h ASP 66 CO 0.02 -0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.30 1bq0 n GLN 67 N -5.17 0.00 0.00 0.28 6.02 -1.07 -5.00 117.38 112.44 1bq0 n GLN 67 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1bq0 n GLN 67 Cb 0.57 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.83 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1bq0 n TYR 68 N 0.00 0.00 -1.28 1.08 9.36 -0.63 -4.97 117.16 120.72 1bq0 n TYR 68 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1bq0 n TYR 68 Cb 0.00 -0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 38.68 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bq0 n GLY 69 N 2.46 0.62 2.61 2.98 0.00 -1.26 -5.00 105.19 107.61 1bq0 n GLY 69 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1bq0 n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bq0 s HIS 70 N -2.16 0.08 -0.49 1.61 5.04 -1.26 -4.88 115.29 113.24 1bq0 s HIS 70 Ca 0.00 -0.77 0.00 0.00 -1.54 0.00 0.00 55.06 52.75 1bq0 s HIS 70 Cb 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 32.58 31.90 1bq0 s HIS 70 CO 0.00 -0.87 0.00 0.00 -2.34 0.00 0.00 174.74 171.53 1bq0 n ALA 71 N 5.00 -0.59 -0.80 1.58 0.00 -1.26 -4.82 120.51 119.62 1bq0 n ALA 71 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bq0 n ALA 71 Cb 0.43 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.64 -0.02 -0.77 0.00 0.00 -1.26 -3.36 120.51 113.46 1bq0 n ALA 72 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1bq0 n ALA 72 Cb 0.41 0.24 0.18 0.00 0.00 0.00 0.00 19.45 20.27 1bq0 n ALA 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bq0 n PHE 73 N -1.29 0.48 0.18 0.00 3.01 -1.26 -4.51 117.46 114.07 1bq0 n PHE 73 Ca 0.00 -0.81 0.05 0.00 1.01 0.00 0.00 57.45 57.70 1bq0 n PHE 73 Cb 0.00 -0.19 0.08 0.00 -0.01 0.00 0.00 39.48 39.36 1bq0 n PHE 73 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1bq0 n GLU 74 N -0.62 1.44 -4.31 -1.08 0.28 -1.24 -4.98 120.64 110.12 1bq0 n GLU 74 Ca 0.16 -1.48 -0.34 0.00 -0.16 0.00 0.00 57.16 55.34 1bq0 n GLU 74 Cb 0.67 -1.21 -0.07 0.00 1.43 0.00 0.00 31.44 32.25 1bq0 n GLU 74 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bq0 n GLN 75 N 0.51 -1.56 -1.79 3.44 1.13 -1.21 -3.75 117.38 114.14 1bq0 n GLN 75 Ca 0.08 0.19 -0.02 0.00 -1.94 0.00 0.00 57.00 55.31 1bq0 n GLN 75 Cb 0.32 -4.23 -0.01 0.00 0.11 0.00 0.00 30.24 26.42 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bq0 n GLY 76 N -1.94 -3.83 0.00 1.08 0.00 -1.26 -5.05 105.19 94.20 1bq0 n GLY 76 Ca -0.16 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93