#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 0.90 -3.98 0.00 0.00 -1.26 -5.10 118.16 108.72 1bq0 n LYS 2 Ca 0.00 -2.75 -0.35 0.00 0.00 0.00 0.00 58.31 55.21 1bq0 n LYS 2 Cb 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 35.03 33.51 1bq0 n LYS 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1bq0 s GLN 3 N -1.04 3.66 1.09 1.64 -0.21 -1.26 -5.09 119.66 118.45 1bq0 s GLN 3 Ca 0.33 -0.49 -0.16 0.00 0.02 0.00 0.00 55.36 55.06 1bq0 s GLN 3 Cb 0.28 -3.16 0.13 0.00 1.00 0.00 0.00 33.01 31.26 1bq0 s GLN 3 CO -0.10 -0.02 0.31 -3.47 -2.12 0.00 0.00 175.29 169.89 1bq0 n ASP 4 N 4.38 -2.09 -0.55 5.90 2.03 -1.26 -4.91 116.55 120.05 1bq0 n ASP 4 Ca -0.17 -0.02 0.12 0.00 0.52 0.00 0.00 54.79 55.24 1bq0 n ASP 4 Cb 0.52 -1.08 0.12 0.00 -0.72 0.00 0.00 41.12 39.96 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 -4.36 0.00 0.20 -0.67 4.02 -1.26 -3.98 117.16 111.11 1bq0 n TYR 5 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.01 1bq0 n TYR 5 Cb 0.59 -0.02 0.14 0.00 -0.02 0.00 0.00 39.34 40.03 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 2.69 0.00 0.02 -0.72 5.03 -1.91 -3.18 116.97 118.91 1bq0 h TYR 6 Ca 0.00 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.02 1bq0 h TYR 6 Cb 0.75 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 1bq0 h TYR 6 CO 0.00 0.16 -1.60 0.93 -1.32 0.00 0.00 178.16 176.32 1bq0 h GLU 7 N 0.00 0.05 -0.97 1.82 5.08 -1.82 -3.29 114.58 115.44 1bq0 h GLU 7 Ca -0.00 -0.08 0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1bq0 h GLU 7 Cb 1.10 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1bq0 h GLU 7 CO 0.02 0.69 0.66 0.82 -1.00 0.00 0.00 179.01 180.21 1bq0 h ILE 8 N 0.01 0.56 -0.12 3.13 5.03 -1.68 0.64 117.51 125.08 1bq0 h ILE 8 Ca -0.25 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 1bq0 h ILE 8 Cb 1.98 0.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 1bq0 h ILE 8 CO 0.10 0.04 0.00 0.18 -0.68 0.00 0.00 178.15 177.78 1bq0 n LEU 9 N -4.41 1.94 -1.07 1.44 4.77 -1.25 -4.80 117.00 113.62 1bq0 n LEU 9 Ca 0.21 -0.98 -0.13 0.00 -0.03 0.00 0.00 56.01 55.08 1bq0 n LEU 9 Cb 0.91 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1bq0 n LEU 9 CO 0.34 0.32 -0.13 0.61 -1.33 0.00 0.00 177.39 177.20 1bq0 n GLY 10 N 0.16 1.26 3.94 -0.72 0.00 0.22 -4.76 105.19 105.29 1bq0 n GLY 10 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.09 2.11 -1.62 1.61 1.01 -1.24 -4.97 120.40 115.21 1bq0 s VAL 11 Ca 0.00 -0.21 0.17 0.00 0.00 0.00 0.00 61.98 61.94 1bq0 s VAL 11 Cb 0.00 -2.89 0.57 0.00 0.00 0.00 0.00 36.38 34.06 1bq0 s VAL 11 CO 0.00 0.00 1.47 -0.24 0.00 0.00 0.00 175.10 176.33 1bq0 n SER 12 N -3.28 3.66 -1.30 3.32 2.88 -1.26 -4.63 113.62 113.00 1bq0 n SER 12 Ca 0.12 -2.18 -0.02 0.00 -1.33 0.00 0.00 58.87 55.46 1bq0 n SER 12 Cb 0.60 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bq0 n LYS 13 N 1.11 -1.35 0.00 -1.46 2.85 -1.26 -4.39 118.16 113.65 1bq0 n LYS 13 Ca 0.21 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 1bq0 n LYS 13 Cb 0.64 -4.25 0.00 0.00 -0.65 0.00 0.00 35.03 30.76 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 -1.40 0.00 -0.34 0.58 -2.24 -1.26 -5.08 114.28 104.54 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 0.15 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.45 6.98 0.00 -1.26 -5.13 120.51 118.65 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 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 1bq0 n GLU 16 Cb 0.00 0.00 0.45 0.00 -0.57 0.00 0.00 31.44 31.32 1bq0 n GLU 16 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bq0 n GLU 17 N 0.00 1.31 0.07 3.49 1.02 -1.26 -3.41 120.64 121.85 1bq0 n GLU 17 Ca 0.00 -0.77 -0.10 0.00 -0.02 0.00 0.00 57.16 56.28 1bq0 n GLU 17 Cb 0.00 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1bq0 h ARG 18 N 1.87 0.08 0.00 3.49 -0.00 -1.99 -3.14 114.38 114.69 1bq0 h ARG 18 Ca 0.00 -0.13 -0.35 0.00 -0.00 0.00 0.00 59.98 59.50 1bq0 h ARG 18 Cb 0.51 0.05 -0.06 0.00 -0.00 0.00 0.00 29.97 30.47 1bq0 h ARG 18 CO 0.00 1.04 -2.32 -1.91 -0.00 0.00 0.00 179.97 176.78 1bq0 n GLU 19 N -3.39 0.77 0.15 0.08 2.13 -1.26 -3.95 120.64 115.17 1bq0 n GLU 19 Ca -0.04 0.07 0.11 0.00 0.66 0.00 0.00 57.16 57.96 1bq0 n GLU 19 Cb 0.97 -1.48 0.54 0.00 0.27 0.00 0.00 31.44 31.75 1bq0 n GLU 19 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1bq0 n ILE 20 N -2.96 1.00 0.02 6.31 -0.00 -1.22 0.30 119.36 122.81 1bq0 n ILE 20 Ca -0.37 0.57 -0.03 0.00 -0.00 0.00 0.00 62.75 62.93 1bq0 n ILE 20 Cb 1.02 -1.55 -0.10 0.00 -0.00 0.00 0.00 39.64 39.01 1bq0 n ILE 20 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1bq0 h ARG 21 N 0.00 0.00 0.00 0.38 0.11 -1.69 -2.38 114.38 110.80 1bq0 h ARG 21 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1bq0 h ARG 21 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1bq0 h ARG 21 CO 0.00 0.36 -1.80 0.36 0.10 0.00 0.00 179.97 179.00 1bq0 n LYS 22 N -2.95 0.73 0.04 0.08 2.85 -0.54 -3.84 118.16 114.53 1bq0 n LYS 22 Ca -0.12 -0.11 -0.06 0.00 -1.05 0.00 0.00 58.31 56.97 1bq0 n LYS 22 Cb 0.91 -1.38 -0.11 0.00 -0.65 0.00 0.00 35.03 33.79 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 1.29 0.54 0.23 0.58 0.00 0.44 -0.61 119.26 121.73 1bq0 h ALA 23 Ca -0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 1bq0 h ALA 23 Cb 1.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bq0 h ALA 23 CO 0.00 1.30 -0.11 -0.92 0.00 0.00 0.00 179.25 179.52 1bq0 h TYR 24 N 0.00 -0.28 -0.18 0.00 3.20 -1.50 -1.63 116.97 116.57 1bq0 h TYR 24 Ca -0.11 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.58 1bq0 h TYR 24 Cb 1.81 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 40.17 1bq0 h TYR 24 CO 0.00 0.10 -0.58 -0.22 -1.64 0.00 0.00 178.16 175.83 1bq0 h LYS 25 N -0.83 0.56 -0.55 1.82 1.63 -1.69 0.60 116.57 118.11 1bq0 h LYS 25 Ca -0.03 -0.37 -0.07 0.00 -0.85 0.00 0.00 60.65 59.33 1bq0 h LYS 25 Cb 0.51 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1bq0 h LYS 25 CO 0.05 0.98 0.05 -0.09 -3.45 0.00 0.00 179.45 177.00 1bq0 h ARG 26 N 0.43 0.93 0.00 1.90 9.65 -1.17 -1.66 114.38 124.46 1bq0 h ARG 26 Ca 0.00 -0.27 -0.15 0.00 -1.10 0.00 0.00 59.98 58.46 1bq0 h ARG 26 Cb 1.13 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.59 1bq0 h ARG 26 CO 0.11 0.91 -1.27 1.25 2.80 0.00 0.00 179.97 183.77 1bq0 h LEU 27 N 0.81 0.00 -0.56 3.80 6.46 -1.28 -3.33 115.31 121.21 1bq0 h LEU 27 Ca 0.16 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.77 1bq0 h LEU 27 Cb 0.46 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1bq0 h LEU 27 CO 0.02 0.54 -0.57 0.00 -0.62 0.00 0.00 178.44 177.80 1bq0 h ALA 28 N 1.46 0.74 -0.75 1.25 0.00 0.26 -2.70 119.26 119.52 1bq0 h ALA 28 Ca -0.13 -0.52 0.16 0.00 0.00 0.00 0.00 54.91 54.41 1bq0 h ALA 28 Cb 1.53 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.13 1bq0 h ALA 28 CO 0.05 0.70 0.24 1.98 0.00 0.00 0.00 179.25 182.22 1bq0 h MET 29 N 0.34 0.34 0.00 0.00 1.85 -1.41 3.90 114.93 119.95 1bq0 h MET 29 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1bq0 h MET 29 Cb 1.10 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.06 1bq0 h MET 29 CO 0.10 0.22 0.36 0.87 -0.40 0.00 0.00 176.91 178.06 1bq0 h LYS 30 N 0.35 0.00 0.00 0.39 6.56 -1.63 -2.83 116.57 119.41 1bq0 h LYS 30 Ca 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 1bq0 h LYS 30 Cb 0.70 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1bq0 h LYS 30 CO -0.47 0.00 -0.69 0.66 -2.06 0.00 0.00 179.45 176.90 1bq0 n TYR 31 N -2.57 0.00 -0.49 -1.35 4.01 0.76 -5.01 117.16 112.51 1bq0 n TYR 31 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 1bq0 n TYR 31 Cb 0.39 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.58 0.02 0.29 -0.72 8.25 1.12 -4.65 115.22 117.94 1bq0 n HIS 32 Ca 0.00 0.01 0.16 0.00 -0.26 0.00 0.00 57.72 57.63 1bq0 n HIS 32 Cb 0.34 -0.22 0.89 0.00 1.12 0.00 0.00 29.99 32.12 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 3.63 0.00 -0.99 -0.41 0.13 -1.87 -0.93 132.00 131.56 1bq0 h PRO 33 Ca 0.01 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.49 1bq0 h PRO 33 Cb 0.38 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.34 1bq0 h PRO 33 CO 0.53 0.05 0.50 0.22 -0.23 0.00 0.00 178.00 179.07 1bq0 h ASP 34 N 0.00 0.35 0.00 1.44 1.82 -2.00 0.61 116.42 118.64 1bq0 h ASP 34 Ca -0.00 0.22 -0.14 0.00 -0.39 0.00 0.00 57.03 56.73 1bq0 h ASP 34 Cb 0.17 0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 1bq0 h ASP 34 CO 0.01 -0.26 -1.78 -2.11 -1.61 0.00 0.00 179.24 173.48 1bq0 n ARG 35 N -5.17 1.27 -2.94 0.28 1.85 -1.04 -4.76 116.66 106.15 1bq0 n ARG 35 Ca 0.33 -0.06 -0.44 0.00 -1.00 0.00 0.00 57.85 56.68 1bq0 n ARG 35 Cb 1.06 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 31.15 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 5.54 -0.40 2.89 4.13 0.20 -4.66 115.26 120.69 1bq0 n ASN 36 Ca -0.13 -3.12 0.04 0.00 1.68 0.00 0.00 54.58 53.06 1bq0 n ASN 36 Cb 0.68 -1.43 0.06 0.00 -1.54 0.00 0.00 39.78 37.55 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 3.51 1.01 0.20 3.52 3.00 -1.19 -3.49 117.38 123.94 1bq0 n GLN 37 Ca 0.32 -1.30 0.14 0.00 -0.01 0.00 0.00 57.00 56.15 1bq0 n GLN 37 Cb 0.38 -1.18 0.72 0.00 0.00 0.00 0.00 30.24 30.16 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1bq0 h GLY 38 N 1.71 0.00 0.00 1.08 0.00 -1.91 -3.28 103.07 100.67 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 -0.30 1.34 0.00 0.00 0.00 176.54 177.58 1bq0 n ASP 39 N -2.48 1.14 0.00 0.19 -0.08 -1.26 -5.01 116.55 109.06 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 0.09 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.55 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 -1.84 -0.32 0.00 -0.67 5.02 -1.23 -4.75 118.16 114.37 1bq0 n LYS 40 Ca 0.00 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.45 1bq0 n LYS 40 Cb 0.15 -4.26 0.38 0.00 -0.02 0.00 0.00 35.03 31.28 1bq0 n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bq0 n GLU 41 N -1.55 0.08 0.22 1.97 -0.58 -1.26 -1.63 120.64 117.89 1bq0 n GLU 41 Ca 0.00 0.18 0.11 0.00 -0.42 0.00 0.00 57.16 57.04 1bq0 n GLU 41 Cb 0.08 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.80 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bq0 h ALA 42 N 2.65 0.95 -1.52 0.62 0.00 -1.85 -3.16 119.26 116.95 1bq0 h ALA 42 Ca 0.00 -0.12 0.48 0.00 0.00 0.00 0.00 54.91 55.27 1bq0 h ALA 42 Cb 0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 1bq0 h ALA 42 CO 0.00 0.17 1.03 1.49 0.00 0.00 0.00 179.25 181.93 1bq0 h GLU 43 N 0.00 0.04 0.02 0.00 4.22 -1.60 0.82 114.58 118.08 1bq0 h GLU 43 Ca -0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bq0 h GLU 43 Cb 0.88 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1bq0 h GLU 43 CO 0.02 0.02 -0.01 0.00 -2.18 0.00 0.00 179.01 176.86 1bq0 h ALA 44 N 1.42 -0.03 -1.35 2.92 0.00 -1.79 -3.24 119.26 117.20 1bq0 h ALA 44 Ca 0.86 -0.01 0.39 0.00 0.00 0.00 0.00 54.91 56.15 1bq0 h ALA 44 Cb 2.97 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.70 1bq0 h ALA 44 CO -0.29 -0.03 0.94 0.87 0.00 0.00 0.00 179.25 180.75 1bq0 h LYS 45 N -0.90 0.07 -0.44 0.00 6.56 -0.94 2.99 116.57 123.91 1bq0 h LYS 45 Ca -0.00 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1bq0 h LYS 45 Cb 0.02 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1bq0 h LYS 45 CO 0.00 0.05 0.30 0.35 -2.06 0.00 0.00 179.45 178.09 1bq0 h PHE 46 N 0.07 0.35 -0.11 -1.35 3.04 0.49 1.24 116.94 120.66 1bq0 h PHE 46 Ca 0.68 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 62.46 1bq0 h PHE 46 Cb 2.50 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 40.91 1bq0 h PHE 46 CO -0.00 0.19 -0.62 1.57 -2.02 0.00 0.00 178.31 177.43 1bq0 h LYS 47 N 0.34 0.61 0.00 1.11 2.10 0.53 2.14 116.57 123.40 1bq0 h LYS 47 Ca 0.20 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1bq0 h LYS 47 Cb 0.34 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1bq0 h LYS 47 CO -0.05 1.13 0.17 0.93 -2.00 0.00 0.00 179.45 179.63 1bq0 h GLU 48 N 0.24 0.00 0.00 0.07 5.08 0.15 3.67 114.58 123.79 1bq0 h GLU 48 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bq0 h GLU 48 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1bq0 h GLU 48 CO 0.13 0.00 -0.25 -0.89 -1.00 0.00 0.00 179.01 177.00 1bq0 n ILE 49 N -2.87 0.49 0.26 3.13 2.08 0.36 -3.62 119.36 119.19 1bq0 n ILE 49 Ca -0.02 0.39 0.12 0.00 0.56 0.00 0.00 62.75 63.80 1bq0 n ILE 49 Cb 0.22 -1.79 0.14 0.00 -0.75 0.00 0.00 39.64 37.45 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 -0.34 0.00 0.00 0.38 3.64 0.36 0.37 116.57 120.98 1bq0 h LYS 50 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1bq0 h LYS 50 Cb 0.25 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1bq0 h LYS 50 CO 0.00 0.00 -1.51 1.49 -2.27 0.00 0.00 179.45 177.16 1bq0 h GLU 51 N 0.00 0.00 0.00 1.90 4.57 0.63 -2.96 114.58 118.71 1bq0 h GLU 51 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1bq0 h GLU 51 Cb 0.95 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1bq0 h GLU 51 CO 0.00 0.55 -0.83 0.00 -1.18 0.00 0.00 179.01 177.55 1bq0 h ALA 52 N 1.07 0.14 0.00 2.92 0.00 0.13 -3.36 119.26 120.16 1bq0 h ALA 52 Ca -0.21 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1bq0 h ALA 52 Cb 1.90 0.56 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1bq0 h ALA 52 CO 0.08 0.54 0.00 2.48 0.00 0.00 0.00 179.25 182.36 1bq0 n TYR 53 N -4.53 0.00 0.13 0.00 4.11 0.12 -3.25 117.16 113.74 1bq0 n TYR 53 Ca -0.20 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.71 1bq0 n TYR 53 Cb 0.48 0.00 0.05 0.00 -0.00 0.00 0.00 39.34 39.88 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 -0.52 -3.48 4.81 -1.65 -3.18 114.58 110.56 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 0.60 0.00 1.33 -0.73 0.00 0.00 179.01 180.21 1bq0 n VAL 55 N -3.33 1.04 1.77 0.32 0.24 -1.20 -4.30 118.33 112.88 1bq0 n VAL 55 Ca 0.01 -1.02 0.15 0.00 -2.04 0.00 0.00 64.34 61.44 1bq0 n VAL 55 Cb 0.74 0.48 0.84 0.00 -1.47 0.00 0.00 33.84 34.42 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 0.99 0.17 -0.01 1.34 4.32 -1.20 -3.19 117.00 119.42 1bq0 n LEU 56 Ca 0.18 0.03 0.03 0.00 -0.02 0.00 0.00 56.01 56.22 1bq0 n LEU 56 Cb 0.53 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 42.19 1bq0 n LEU 56 CO 0.12 0.03 -0.60 1.07 -1.22 0.00 0.00 177.39 176.79 1bq0 n THR 57 N -0.97 0.04 -4.11 -5.08 5.66 -1.26 -4.80 114.28 103.76 1bq0 n THR 57 Ca 0.20 -0.18 -0.34 0.00 -3.05 0.00 0.00 64.05 60.68 1bq0 n THR 57 Cb 0.18 0.23 -0.14 0.00 -1.55 0.00 0.00 70.33 69.05 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 -2.93 4.27 0.05 1.09 -1.08 -1.19 -5.00 116.67 111.88 1bq0 s ASP 58 Ca -0.03 -0.36 -0.20 0.00 -0.52 0.00 0.00 52.55 51.44 1bq0 s ASP 58 Cb 0.04 -1.72 -0.12 0.00 -1.46 0.00 0.00 42.92 39.66 1bq0 s ASP 58 CO 0.30 0.03 1.42 0.28 0.52 0.00 0.00 175.17 177.73 1bq0 h SER 59 N 7.72 0.35 -1.07 -0.34 0.02 -1.93 -2.40 113.55 115.91 1bq0 h SER 59 Ca -0.38 -0.40 0.29 0.00 -0.84 0.00 0.00 61.79 60.47 1bq0 h SER 59 Cb 1.17 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 1bq0 h SER 59 CO 0.60 0.67 0.67 0.06 -1.14 0.00 0.00 176.83 177.69 1bq0 h GLN 60 N 0.04 0.37 0.13 3.45 3.07 -1.94 0.31 115.11 120.53 1bq0 h GLN 60 Ca 0.04 -0.02 -0.28 0.00 0.09 0.00 0.00 58.65 58.48 1bq0 h GLN 60 Cb 0.53 -0.08 0.01 0.00 0.08 0.00 0.00 27.48 28.01 1bq0 h GLN 60 CO 0.02 0.25 -1.23 0.87 0.09 0.00 0.00 178.83 178.83 1bq0 h LYS 61 N 0.38 0.33 -0.02 0.06 1.57 -1.84 -1.43 116.57 115.63 1bq0 h LYS 61 Ca 0.65 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1bq0 h LYS 61 Cb 1.61 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 1bq0 h LYS 61 CO -0.39 1.24 0.25 0.00 -0.57 0.00 0.00 179.45 179.98 1bq0 h ARG 62 N 0.11 0.00 0.00 3.15 2.47 0.11 2.52 114.38 122.74 1bq0 h ARG 62 Ca -0.14 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.49 1bq0 h ARG 62 Cb 1.93 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.24 1bq0 h ARG 62 CO 0.21 0.00 -1.97 0.00 0.56 0.00 0.00 179.97 178.76 1bq0 n ALA 63 N -1.96 2.41 -0.09 0.04 0.00 -0.91 -3.58 120.51 116.41 1bq0 n ALA 63 Ca -0.02 -0.65 -0.18 0.00 0.00 0.00 0.00 53.44 52.59 1bq0 n ALA 63 Cb 0.31 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 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 1.53 0.19 0.00 0.00 0.00 0.16 -3.35 119.26 117.79 1bq0 h ALA 64 Ca -0.13 -0.99 -0.15 0.00 0.00 0.00 0.00 54.91 53.64 1bq0 h ALA 64 Cb 1.21 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1bq0 h ALA 64 CO 0.01 0.55 -0.73 1.88 0.00 0.00 0.00 179.25 180.96 1bq0 h TYR 65 N -1.00 0.00 0.00 0.00 0.05 0.37 -1.90 116.97 114.49 1bq0 h TYR 65 Ca -0.24 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 1bq0 h TYR 65 Cb 1.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.87 1bq0 h TYR 65 CO 0.09 0.73 -0.05 0.38 -1.05 0.00 0.00 178.16 178.25 1bq0 h ASP 66 N 0.00 0.00 0.00 3.88 2.03 -1.60 -3.00 116.42 117.73 1bq0 h ASP 66 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1bq0 h ASP 66 Cb 1.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 1bq0 h ASP 66 CO 0.09 0.05 -1.17 0.00 -1.03 0.00 0.00 179.24 177.18 1bq0 n GLN 67 N -3.18 1.37 0.00 4.15 10.64 -1.18 -4.86 117.38 124.32 1bq0 n GLN 67 Ca 0.00 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1bq0 n GLN 67 Cb 0.32 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1bq0 n TYR 68 N -1.68 0.00 0.00 2.61 4.01 -0.72 -4.64 117.16 116.74 1bq0 n TYR 68 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bq0 n TYR 68 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 2.85 2.19 0.00 2.72 0.00 -1.16 -4.09 105.19 107.71 1bq0 n GLY 69 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1bq0 n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bq0 n HIS 70 N 0.00 0.00 -1.89 1.61 -0.00 -1.26 -4.92 115.22 108.76 1bq0 n HIS 70 Ca 0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 1bq0 n HIS 70 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1bq0 n HIS 70 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bq0 n ALA 71 N 0.00 -0.55 -1.00 1.57 0.00 -1.26 -4.82 120.51 114.45 1bq0 n ALA 71 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bq0 n ALA 71 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.56 0.00 -4.01 0.00 0.00 -1.26 -4.53 120.51 109.15 1bq0 n ALA 72 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1bq0 n ALA 72 Cb 0.37 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.09 2.91 -0.42 0.00 0.40 -1.26 -5.03 117.98 114.49 1bq0 s PHE 73 Ca 0.00 -1.68 0.07 0.00 -0.60 0.00 0.00 56.93 54.72 1bq0 s PHE 73 Cb 0.00 -1.95 0.23 0.00 0.51 0.00 0.00 43.02 41.81 1bq0 s PHE 73 CO 0.00 -0.79 0.56 -0.85 0.70 0.00 0.00 175.22 174.84 1bq0 n GLU 74 N 4.61 0.63 0.00 0.44 0.28 -1.26 -4.92 120.64 120.42 1bq0 n GLU 74 Ca -0.19 -2.91 0.13 0.00 -0.16 0.00 0.00 57.16 54.02 1bq0 n GLU 74 Cb 0.48 -1.33 0.23 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 1.73 2.08 0.00 3.44 6.02 -1.26 -4.68 117.38 124.71 1bq0 n GLN 75 Ca 0.20 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 1bq0 n GLN 75 Cb 0.54 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 1.30 1.09 0.00 1.08 0.00 -1.26 -5.36 105.19 102.04 1bq0 n GLY 76 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93