#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 3.82 -1.82 0.00 5.02 -1.26 -5.06 118.16 118.86 1bq0 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1bq0 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1bq0 n LYS 2 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1bq0 n GLN 3 N 0.00 -5.09 -0.89 1.97 3.00 -1.26 -4.86 117.38 110.25 1bq0 n GLN 3 Ca 0.00 3.67 -0.37 0.00 -0.01 0.00 0.00 57.00 60.29 1bq0 n GLN 3 Cb 0.00 -4.04 0.08 0.00 0.00 0.00 0.00 30.24 26.28 1bq0 n GLN 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1bq0 n ASP 4 N 0.56 -2.83 -0.95 1.08 -0.08 -1.26 -4.88 116.55 108.20 1bq0 n ASP 4 Ca 0.00 -0.04 0.11 0.00 -1.51 0.00 0.00 54.79 53.35 1bq0 n ASP 4 Cb 0.00 -0.65 0.14 0.00 2.34 0.00 0.00 41.12 42.95 1bq0 n ASP 4 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1bq0 n TYR 5 N -3.80 0.22 0.04 -0.67 4.01 -1.26 -3.91 117.16 111.79 1bq0 n TYR 5 Ca -0.01 -0.13 -0.06 0.00 -0.16 0.00 0.00 57.90 57.54 1bq0 n TYR 5 Cb 0.71 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.63 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 4.13 0.00 0.00 -0.72 5.03 -1.89 -3.29 116.97 120.23 1bq0 h TYR 6 Ca 0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 1bq0 h TYR 6 Cb 0.91 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.16 1bq0 h TYR 6 CO 0.11 0.94 -1.20 0.93 -1.32 0.00 0.00 178.16 177.62 1bq0 h GLU 7 N 0.00 0.00 -0.11 1.82 5.08 -1.83 -3.30 114.58 116.24 1bq0 h GLU 7 Ca -0.11 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1bq0 h GLU 7 Cb 1.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.06 1bq0 h GLU 7 CO 0.10 0.35 0.10 0.82 -1.00 0.00 0.00 179.01 179.39 1bq0 h ILE 8 N 0.00 0.65 -0.15 3.13 5.03 -1.68 0.12 117.51 124.62 1bq0 h ILE 8 Ca -0.12 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 1bq0 h ILE 8 Cb 1.54 0.92 0.00 0.00 -3.03 0.00 0.00 36.82 36.25 1bq0 h ILE 8 CO 0.05 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.70 1bq0 n LEU 9 N -4.06 1.42 -1.54 1.44 4.77 -1.24 -4.83 117.00 112.95 1bq0 n LEU 9 Ca -0.00 -0.71 -0.19 0.00 -0.03 0.00 0.00 56.01 55.08 1bq0 n LEU 9 Cb 0.21 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1bq0 n LEU 9 CO 0.30 0.27 -0.19 0.61 -1.33 0.00 0.00 177.39 177.05 1bq0 n GLY 10 N 0.47 1.45 4.00 -0.72 0.00 0.43 -4.54 105.19 106.29 1bq0 n GLY 10 Ca 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.73 2.22 -1.41 1.61 1.01 -1.24 -4.98 120.40 114.88 1bq0 s VAL 11 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 61.98 61.40 1bq0 s VAL 11 Cb 0.00 -2.52 0.46 0.00 0.00 0.00 0.00 36.38 34.33 1bq0 s VAL 11 CO 0.00 0.00 1.33 -1.54 0.00 0.00 0.00 175.10 174.89 1bq0 n SER 12 N -2.61 3.15 -2.06 3.32 3.41 -1.26 -4.65 113.62 112.91 1bq0 n SER 12 Ca 0.14 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1bq0 n SER 12 Cb 0.61 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.70 -2.47 0.00 4.33 2.85 -1.26 -4.32 118.16 117.99 1bq0 n LYS 13 Ca 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1bq0 n LYS 13 Cb 0.58 -4.01 0.00 0.00 -0.65 0.00 0.00 35.03 30.95 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 -2.02 0.00 0.00 0.58 -2.24 -1.26 -5.05 114.28 104.28 1bq0 n THR 14 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bq0 n THR 14 Cb 0.37 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.87 0.00 -2.00 6.98 0.00 -1.26 -5.07 120.51 118.29 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.02 -1.26 -4.97 120.64 115.43 1bq0 n GLU 16 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1bq0 n GLU 16 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 31.44 31.89 1bq0 n GLU 16 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bq0 n GLU 17 N 0.00 1.30 0.05 3.49 2.13 -1.26 -3.23 120.64 123.12 1bq0 n GLU 17 Ca 0.00 -0.75 -0.13 0.00 0.66 0.00 0.00 57.16 56.94 1bq0 n GLU 17 Cb 0.00 -1.48 -0.14 0.00 0.27 0.00 0.00 31.44 30.09 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 1.84 0.14 0.00 5.31 -0.00 -1.97 -3.22 114.38 116.47 1bq0 h ARG 18 Ca 0.00 -0.23 -0.36 0.00 -0.00 0.00 0.00 59.98 59.39 1bq0 h ARG 18 Cb 0.50 0.09 -0.07 0.00 -0.00 0.00 0.00 29.97 30.49 1bq0 h ARG 18 CO 0.00 0.97 -2.35 -1.91 -0.00 0.00 0.00 179.97 176.68 1bq0 n GLU 19 N -3.35 0.77 0.19 0.08 2.13 -1.26 -3.63 120.64 115.58 1bq0 n GLU 19 Ca -0.12 0.04 0.14 0.00 0.66 0.00 0.00 57.16 57.88 1bq0 n GLU 19 Cb 1.02 -1.50 0.67 0.00 0.27 0.00 0.00 31.44 31.90 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 0.00 0.00 0.14 6.31 5.03 -1.73 2.54 117.51 129.80 1bq0 h ILE 20 Ca -0.53 -0.14 -0.35 0.00 -0.12 0.00 0.00 64.86 63.72 1bq0 h ILE 20 Cb 2.08 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 36.71 1bq0 h ILE 20 CO -0.01 0.00 -1.87 0.08 -0.68 0.00 0.00 178.15 175.67 1bq0 h ARG 21 N 0.00 0.30 0.00 2.37 0.11 -1.69 -1.04 114.38 114.43 1bq0 h ARG 21 Ca 0.00 -0.51 -0.16 0.00 0.10 0.00 0.00 59.98 59.41 1bq0 h ARG 21 Cb 0.18 0.19 -0.03 0.00 1.11 0.00 0.00 29.97 31.42 1bq0 h ARG 21 CO 0.00 1.21 -1.09 -0.22 0.10 0.00 0.00 179.97 179.97 1bq0 h LYS 22 N 0.08 0.00 0.02 0.08 3.64 -1.45 -2.76 116.57 116.17 1bq0 h LYS 22 Ca -0.38 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1bq0 h LYS 22 Cb 2.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 1bq0 h LYS 22 CO 0.12 0.46 -0.01 0.00 -2.27 0.00 0.00 179.45 177.76 1bq0 h ALA 23 N 1.36 -0.02 -0.69 5.00 0.00 0.42 0.64 119.26 125.97 1bq0 h ALA 23 Ca -0.10 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1bq0 h ALA 23 Cb 1.58 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1bq0 h ALA 23 CO 0.07 -0.04 0.33 -0.92 0.00 0.00 0.00 179.25 178.69 1bq0 h TYR 24 N -0.96 0.59 0.17 0.00 3.20 -1.29 0.11 116.97 118.79 1bq0 h TYR 24 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1bq0 h TYR 24 Cb 0.70 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1bq0 h TYR 24 CO 0.19 0.21 -0.08 -0.22 -1.64 0.00 0.00 178.16 176.62 1bq0 h LYS 25 N 0.57 -0.22 -1.05 1.82 3.64 -1.57 0.24 116.57 120.00 1bq0 h LYS 25 Ca 0.34 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 60.01 1bq0 h LYS 25 Cb 0.37 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.15 1bq0 h LYS 25 CO -0.27 0.12 0.69 -0.09 -2.27 0.00 0.00 179.45 177.63 1bq0 h ARG 26 N -0.97 0.31 0.04 1.90 9.65 0.47 1.17 114.38 126.95 1bq0 h ARG 26 Ca -0.02 -0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.54 1bq0 h ARG 26 Cb 0.43 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 1bq0 h ARG 26 CO 0.04 0.21 -1.64 1.25 2.80 0.00 0.00 179.97 182.63 1bq0 h LEU 27 N 0.32 0.12 -0.45 3.80 7.12 -0.82 -3.34 115.31 122.07 1bq0 h LEU 27 Ca 0.58 -0.23 -0.17 0.00 0.13 0.00 0.00 57.88 58.20 1bq0 h LEU 27 Cb 1.62 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.69 1bq0 h LEU 27 CO -0.25 1.20 -0.78 0.00 -0.13 0.00 0.00 178.44 178.49 1bq0 h ALA 28 N 0.78 0.71 -0.80 1.25 0.00 0.17 -3.03 119.26 118.34 1bq0 h ALA 28 Ca -0.27 -0.69 0.18 0.00 0.00 0.00 0.00 54.91 54.13 1bq0 h ALA 28 Cb 1.99 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.55 1bq0 h ALA 28 CO 0.10 0.94 0.24 0.52 0.00 0.00 0.00 179.25 181.05 1bq0 h MET 29 N 0.02 0.29 0.00 0.00 2.86 0.12 3.08 114.93 121.30 1bq0 h MET 29 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1bq0 h MET 29 Cb 1.37 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1bq0 h MET 29 CO 0.10 0.19 0.24 0.87 1.06 0.00 0.00 176.91 179.37 1bq0 h LYS 30 N 0.30 0.00 0.00 1.72 1.57 -1.68 -2.82 116.57 115.65 1bq0 h LYS 30 Ca 0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.20 1bq0 h LYS 30 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1bq0 h LYS 30 CO -0.54 0.00 -1.17 0.66 -0.57 0.00 0.00 179.45 177.83 1bq0 n TYR 31 N -2.65 0.00 -0.49 -1.35 4.01 0.84 -5.01 117.16 112.51 1bq0 n TYR 31 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1bq0 n TYR 31 Cb 0.28 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.53 0.26 0.00 -0.72 8.25 0.82 -4.69 115.22 116.61 1bq0 n HIS 32 Ca -0.05 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1bq0 n HIS 32 Cb 0.56 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.86 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 2.82 2.68 0.00 -0.41 -0.04 -1.26 -3.01 135.00 135.78 1bq0 n PRO 33 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1bq0 n PRO 33 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.02 3.54 2.03 -1.26 -1.82 116.55 119.01 1bq0 n ASP 34 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1bq0 n ASP 34 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 1bq0 n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1bq0 n ARG 35 N 0.00 0.68 -2.63 -0.67 1.85 -1.26 -4.55 116.66 110.09 1bq0 n ARG 35 Ca 0.00 -0.14 -0.37 0.00 -1.00 0.00 0.00 57.85 56.33 1bq0 n ARG 35 Cb 0.00 -1.46 0.01 0.00 -1.05 0.00 0.00 32.46 29.95 1bq0 n ARG 35 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1bq0 n ASN 36 N -2.27 6.61 -0.11 2.89 4.13 -0.76 -4.73 115.26 121.02 1bq0 n ASN 36 Ca -0.09 -3.71 0.12 0.00 1.68 0.00 0.00 54.58 52.58 1bq0 n ASN 36 Cb 0.62 -0.99 0.63 0.00 -1.54 0.00 0.00 39.78 38.51 1bq0 n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bq0 n GLN 37 N -0.17 1.15 -0.24 3.52 6.02 -1.26 -2.87 117.38 123.52 1bq0 n GLN 37 Ca 0.44 -0.22 0.05 0.00 -0.01 0.00 0.00 57.00 57.26 1bq0 n GLN 37 Cb 0.30 -1.37 0.17 0.00 1.02 0.00 0.00 30.24 30.36 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bq0 n GLY 38 N 0.92 1.05 0.47 1.08 0.00 -1.26 -3.66 105.19 103.78 1bq0 n GLY 38 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1bq0 n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bq0 n ASP 39 N 0.51 0.00 -0.14 1.61 -0.08 -1.14 -4.91 116.55 112.41 1bq0 n ASP 39 Ca 0.13 -1.39 0.27 0.00 -1.51 0.00 0.00 54.79 52.28 1bq0 n ASP 39 Cb 0.40 -0.08 0.54 0.00 2.34 0.00 0.00 41.12 44.32 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1bq0 h LYS 40 N 0.00 0.00 0.00 -0.67 1.57 -1.63 2.32 116.57 118.16 1bq0 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bq0 h LYS 40 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1bq0 h LYS 40 CO 0.00 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.97 1bq0 n GLU 41 N -3.39 0.05 0.14 3.15 2.13 -1.26 -0.11 120.64 121.35 1bq0 n GLU 41 Ca 0.19 0.48 0.13 0.00 0.66 0.00 0.00 57.16 58.62 1bq0 n GLU 41 Cb 1.28 -1.65 0.48 0.00 0.27 0.00 0.00 31.44 31.82 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bq0 h ALA 42 N 2.11 1.00 -1.21 4.31 0.00 0.36 -3.06 119.26 122.77 1bq0 h ALA 42 Ca 0.00 0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.29 1bq0 h ALA 42 Cb 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1bq0 h ALA 42 CO 0.00 0.00 0.77 1.49 0.00 0.00 0.00 179.25 181.51 1bq0 h GLU 43 N 0.00 0.17 -0.22 0.00 4.81 -0.68 2.32 114.58 120.98 1bq0 h GLU 43 Ca 0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1bq0 h GLU 43 Cb 0.48 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1bq0 h GLU 43 CO 0.00 0.11 -0.44 0.00 -0.73 0.00 0.00 179.01 177.95 1bq0 h ALA 44 N 1.65 0.83 -0.58 2.92 0.00 -1.77 -2.38 119.26 119.93 1bq0 h ALA 44 Ca 0.76 -0.46 0.17 0.00 0.00 0.00 0.00 54.91 55.38 1bq0 h ALA 44 Cb 2.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1bq0 h ALA 44 CO -0.43 0.65 0.68 -0.22 0.00 0.00 0.00 179.25 179.94 1bq0 h LYS 45 N 0.43 0.00 -0.55 0.00 1.63 0.37 2.43 116.57 120.88 1bq0 h LYS 45 Ca 0.03 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.91 1bq0 h LYS 45 Cb 0.95 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 1bq0 h LYS 45 CO 0.08 0.00 0.37 0.74 -3.45 0.00 0.00 179.45 177.19 1bq0 h PHE 46 N 0.00 0.44 0.00 1.91 -1.00 -1.31 2.12 116.94 119.09 1bq0 h PHE 46 Ca 0.28 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1bq0 h PHE 46 Cb 1.64 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 41.05 1bq0 h PHE 46 CO 0.00 0.23 0.00 0.36 -1.61 0.00 0.00 178.31 177.29 1bq0 n LYS 47 N -4.47 0.00 -0.02 1.51 -0.00 0.82 0.27 118.16 116.27 1bq0 n LYS 47 Ca 0.08 0.32 -0.12 0.00 -0.00 0.00 0.00 58.31 58.59 1bq0 n LYS 47 Cb 0.31 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.69 1bq0 n LYS 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1bq0 n GLU 48 N -1.51 0.67 -0.09 -1.58 -0.58 0.71 -3.48 120.64 114.78 1bq0 n GLU 48 Ca 0.03 0.28 -0.19 0.00 -0.42 0.00 0.00 57.16 56.86 1bq0 n GLU 48 Cb 0.13 -1.76 -0.06 0.00 -0.57 0.00 0.00 31.44 29.17 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 -3.16 1.03 0.21 -3.67 -0.00 -0.53 -3.47 119.36 109.77 1bq0 n ILE 49 Ca -0.22 -0.22 0.08 0.00 -0.00 0.00 0.00 62.75 62.39 1bq0 n ILE 49 Cb 1.05 -1.78 0.43 0.00 -0.00 0.00 0.00 39.64 39.35 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 -0.65 0.00 0.02 0.38 3.64 0.37 2.99 116.57 123.31 1bq0 h LYS 50 Ca -0.43 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.65 1bq0 h LYS 50 Cb 1.35 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 1bq0 h LYS 50 CO -0.26 0.29 -1.71 1.49 -2.27 0.00 0.00 179.45 177.00 1bq0 h GLU 51 N 0.00 0.04 0.00 1.90 4.57 -1.44 -3.00 114.58 116.65 1bq0 h GLU 51 Ca -0.00 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 57.94 1bq0 h GLU 51 Cb 0.75 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1bq0 h GLU 51 CO 0.04 0.63 -0.96 0.00 -1.18 0.00 0.00 179.01 177.53 1bq0 h ALA 52 N 0.86 0.19 0.00 2.92 0.00 -1.54 -3.35 119.26 118.35 1bq0 h ALA 52 Ca -0.29 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1bq0 h ALA 52 Cb 2.01 0.59 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1bq0 h ALA 52 CO 0.09 0.57 0.00 2.48 0.00 0.00 0.00 179.25 182.38 1bq0 n TYR 53 N -4.49 0.00 0.32 0.00 4.11 1.00 -2.99 117.16 115.11 1bq0 n TYR 53 Ca -0.25 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.78 1bq0 n TYR 53 Cb 0.59 0.00 0.35 0.00 -0.00 0.00 0.00 39.34 40.28 1bq0 n TYR 53 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1bq0 h GLU 54 N 0.00 0.00 -0.40 -3.48 4.81 -1.49 -3.07 114.58 110.96 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 0.00 0.00 1.33 -0.73 0.00 0.00 179.01 179.61 1bq0 n VAL 55 N -2.90 1.96 -0.98 0.32 0.24 -1.16 -4.43 118.33 111.39 1bq0 n VAL 55 Ca 0.03 -1.49 -0.06 0.00 -2.04 0.00 0.00 64.34 60.78 1bq0 n VAL 55 Cb 0.44 -0.01 0.30 0.00 -1.47 0.00 0.00 33.84 33.10 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 0.18 6.06 -0.43 1.34 4.32 -1.16 -2.70 117.00 124.62 1bq0 n LEU 56 Ca 0.21 -3.16 0.00 0.00 -0.02 0.00 0.00 56.01 53.04 1bq0 n LEU 56 Cb 0.82 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1bq0 n LEU 56 CO 0.17 0.80 0.22 1.07 -1.22 0.00 0.00 177.39 178.44 1bq0 n THR 57 N -0.14 0.00 -4.92 -5.08 5.66 -1.26 -4.61 114.28 103.93 1bq0 n THR 57 Ca 0.41 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 61.14 1bq0 n THR 57 Cb 1.38 0.12 -0.15 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.18 2.34 0.01 1.09 -1.08 -1.26 -5.05 116.67 112.53 1bq0 s ASP 58 Ca 0.00 -0.38 -0.02 0.00 -0.52 0.00 0.00 52.55 51.63 1bq0 s ASP 58 Cb 0.00 -0.25 -0.01 0.00 -1.46 0.00 0.00 42.92 41.20 1bq0 s ASP 58 CO 0.00 0.23 1.03 -1.28 0.52 0.00 0.00 175.17 175.68 1bq0 h SER 59 N 5.55 -0.13 0.00 -0.34 0.87 -2.00 -3.35 113.55 114.15 1bq0 h SER 59 Ca -0.39 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1bq0 h SER 59 Cb 1.14 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1bq0 h SER 59 CO 0.47 -0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.75 1bq0 n GLN 60 N -3.03 0.66 0.00 2.24 10.64 -1.26 -4.20 117.38 122.43 1bq0 n GLN 60 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1bq0 n GLN 60 Cb 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.40 1bq0 n GLN 60 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1bq0 n LYS 61 N 0.00 0.00 -0.54 2.61 5.02 -1.26 -3.21 118.16 120.78 1bq0 n LYS 61 Ca 0.00 0.00 0.44 0.00 -2.02 0.00 0.00 58.31 56.73 1bq0 n LYS 61 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 35.03 35.75 1bq0 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bq0 h ARG 62 N 0.00 0.03 0.00 1.97 2.47 -1.63 2.48 114.38 119.70 1bq0 h ARG 62 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bq0 h ARG 62 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1bq0 h ARG 62 CO 0.00 0.02 -1.87 0.00 0.56 0.00 0.00 179.97 178.68 1bq0 n ALA 63 N -2.72 2.72 0.04 0.04 0.00 -1.20 -3.32 120.51 116.08 1bq0 n ALA 63 Ca 0.39 -0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 1bq0 n ALA 63 Cb 1.66 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 20.31 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 1.76 0.35 0.05 0.00 0.00 0.19 -3.27 119.26 118.34 1bq0 h ALA 64 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 54.91 53.36 1bq0 h ALA 64 Cb 0.88 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1bq0 h ALA 64 CO 0.00 1.21 -1.92 0.66 0.00 0.00 0.00 179.25 179.21 1bq0 n TYR 65 N -3.43 0.96 0.30 0.00 4.02 0.71 -2.67 117.16 117.06 1bq0 n TYR 65 Ca -0.21 0.28 0.20 0.00 -0.01 0.00 0.00 57.90 58.15 1bq0 n TYR 65 Cb 1.05 -1.15 0.90 0.00 -0.02 0.00 0.00 39.34 40.11 1bq0 n TYR 65 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1bq0 h ASP 66 N 0.03 0.00 0.08 7.72 2.03 -1.56 -2.49 116.42 122.22 1bq0 h ASP 66 Ca -0.38 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.79 1bq0 h ASP 66 Cb 2.04 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.51 1bq0 h ASP 66 CO 0.07 0.00 -2.06 0.00 -1.03 0.00 0.00 179.24 176.22 1bq0 n GLN 67 N -3.08 0.67 0.00 4.15 -0.00 -1.23 -4.96 117.38 112.92 1bq0 n GLN 67 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 1bq0 n GLN 67 Cb 0.21 -1.55 0.00 0.00 -0.00 0.00 0.00 30.24 28.90 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1bq0 n TYR 68 N -2.48 0.00 0.00 2.61 4.01 -0.94 -4.82 117.16 115.54 1bq0 n TYR 68 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1bq0 n TYR 68 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bq0 n GLY 69 N 5.00 4.00 2.94 2.72 0.00 -1.26 -4.89 105.19 113.71 1bq0 n GLY 69 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.94 -0.79 1.61 2.46 -1.26 -4.90 115.29 111.46 1bq0 s HIS 70 Ca 0.00 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.13 1bq0 s HIS 70 Cb 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.38 1bq0 s HIS 70 CO 0.00 -1.07 0.00 0.00 -2.47 0.00 0.00 174.74 171.20 1bq0 n ALA 71 N 4.20 -0.68 -0.19 1.58 0.00 -1.26 -4.80 120.51 119.35 1bq0 n ALA 71 Ca 0.12 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 1bq0 n ALA 71 Cb 0.51 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 1bq0 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 h ALA 72 N 1.04 -0.27 -3.65 0.00 0.00 -1.90 -3.35 119.26 111.12 1bq0 h ALA 72 Ca -0.20 0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.11 1bq0 h ALA 72 Cb 1.03 1.16 -0.37 0.00 0.00 0.00 0.00 17.79 19.61 1bq0 h ALA 72 CO 0.25 -0.46 -0.80 -0.06 0.00 0.00 0.00 179.25 178.18 1bq0 s PHE 73 N -4.16 2.85 -0.40 0.00 0.40 -1.26 -5.01 117.98 110.40 1bq0 s PHE 73 Ca -0.06 -1.99 0.10 0.00 -0.60 0.00 0.00 56.93 54.39 1bq0 s PHE 73 Cb 0.05 -1.79 0.30 0.00 0.51 0.00 0.00 43.02 42.10 1bq0 s PHE 73 CO 0.29 -0.82 0.66 -0.85 0.70 0.00 0.00 175.22 175.19 1bq0 n GLU 74 N 4.55 1.04 -3.51 0.44 0.28 -1.26 -4.95 120.64 117.24 1bq0 n GLU 74 Ca -0.14 -3.44 -0.39 0.00 -0.16 0.00 0.00 57.16 53.02 1bq0 n GLU 74 Cb 0.44 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 31.72 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 0.73 3.01 0.00 3.44 6.02 -1.26 -4.56 117.38 124.77 1bq0 n GLN 75 Ca 0.24 -4.48 0.00 0.00 -0.01 0.00 0.00 57.00 52.75 1bq0 n GLN 75 Cb 0.58 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.38 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bq0 n GLY 76 N 2.37 1.46 0.00 1.08 0.00 -1.26 -5.34 105.19 103.51 1bq0 n GLY 76 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93