#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq0 s LYS 2 N 0.00 2.59 -0.07 0.00 1.02 -1.26 -4.89 119.74 117.14 1bq0 s LYS 2 Ca 0.00 -1.47 -0.05 0.00 0.02 0.00 0.00 55.97 54.47 1bq0 s LYS 2 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1bq0 s LYS 2 CO 0.00 -0.37 0.10 1.04 -0.92 0.00 0.00 175.35 175.19 1bq0 n GLN 3 N -1.81 -3.13 0.00 1.68 6.02 -1.26 -4.95 117.38 113.93 1bq0 n GLN 3 Ca 0.07 2.40 0.00 0.00 -0.01 0.00 0.00 57.00 59.46 1bq0 n GLN 3 Cb 0.61 -3.14 0.00 0.00 1.02 0.00 0.00 30.24 28.73 1bq0 n GLN 3 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1bq0 n ASP 4 N 2.03 0.00 0.00 1.08 2.03 -1.26 -4.96 116.55 115.47 1bq0 n ASP 4 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1bq0 n ASP 4 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1bq0 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bq0 n TYR 5 N 0.00 0.00 -0.20 -0.67 0.18 -1.26 -4.82 117.16 110.40 1bq0 n TYR 5 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1bq0 n TYR 5 Cb 0.00 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 1bq0 n TYR 5 CO 0.00 0.00 0.00 0.10 -2.08 0.00 0.00 176.86 174.88 1bq0 h TYR 6 N 0.00 1.03 0.00 -3.48 -0.00 -1.94 -2.27 116.97 110.30 1bq0 h TYR 6 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 58.73 58.42 1bq0 h TYR 6 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 36.73 36.43 1bq0 h TYR 6 CO 0.00 0.91 -0.74 0.93 -0.00 0.00 0.00 178.16 179.27 1bq0 h GLU 7 N 0.85 0.00 -1.49 0.10 5.08 -1.92 -3.11 114.58 114.09 1bq0 h GLU 7 Ca 0.17 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 58.96 1bq0 h GLU 7 Cb 0.47 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1bq0 h GLU 7 CO 0.02 0.74 1.08 0.82 -1.00 0.00 0.00 179.01 180.67 1bq0 h ILE 8 N 0.00 0.24 -0.89 3.13 5.03 -1.72 1.89 117.51 125.19 1bq0 h ILE 8 Ca -0.01 0.00 -0.39 0.00 -0.12 0.00 0.00 64.86 64.35 1bq0 h ILE 8 Cb 1.35 0.25 -0.23 0.00 -3.03 0.00 0.00 36.82 35.16 1bq0 h ILE 8 CO 0.10 0.00 0.49 0.18 -0.68 0.00 0.00 178.15 178.24 1bq0 n LEU 9 N -4.06 6.47 -3.49 1.44 7.99 -1.18 -4.94 117.00 119.23 1bq0 n LEU 9 Ca 0.33 -3.42 -0.20 0.00 -0.01 0.00 0.00 56.01 52.70 1bq0 n LEU 9 Cb 1.55 -0.80 0.01 0.00 -0.11 0.00 0.00 43.42 44.07 1bq0 n LEU 9 CO 0.42 0.94 -0.09 0.61 -1.51 0.00 0.00 177.39 177.76 1bq0 n GLY 10 N -0.70 -1.03 0.00 -0.72 0.00 0.64 -4.61 105.19 98.78 1bq0 n GLY 10 Ca 0.52 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.27 1bq0 n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bq0 n VAL 11 N -1.79 0.00 -0.28 1.61 0.31 -1.25 -4.84 118.33 112.09 1bq0 n VAL 11 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1bq0 n VAL 11 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1bq0 n VAL 11 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bq0 n SER 12 N 0.00 0.47 0.00 4.52 3.41 -1.26 -4.76 113.62 116.00 1bq0 n SER 12 Ca 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1bq0 n SER 12 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.15 0.00 0.09 4.33 2.85 -1.26 -4.52 118.16 119.49 1bq0 n LYS 13 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 1bq0 n LYS 13 Cb 0.07 -0.19 0.12 0.00 -0.65 0.00 0.00 35.03 34.38 1bq0 n LYS 13 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1bq0 h THR 14 N 0.00 0.00 -1.02 0.58 1.35 -1.94 -3.46 112.91 108.42 1bq0 h THR 14 Ca 0.00 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 65.11 1bq0 h THR 14 Cb 0.00 1.29 0.04 0.00 -1.73 0.00 0.00 68.15 67.74 1bq0 h THR 14 CO 0.00 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.24 1bq0 n ALA 15 N -1.96 -0.87 -2.00 6.62 0.00 -1.26 -5.04 120.51 116.00 1bq0 n ALA 15 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1bq0 n ALA 15 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.49 0.00 -0.16 0.00 1.02 -1.22 -4.59 120.64 114.20 1bq0 n GLU 16 Ca 0.02 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 1bq0 n GLU 16 Cb 0.10 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 31.79 1bq0 n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bq0 n GLU 17 N 0.00 1.95 -0.04 3.49 1.02 -1.26 -3.61 120.64 122.19 1bq0 n GLU 17 Ca 0.00 -1.46 -0.21 0.00 -0.02 0.00 0.00 57.16 55.47 1bq0 n GLU 17 Cb 0.00 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 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 2.63 0.14 0.03 3.49 -0.00 -1.95 -3.26 114.38 115.47 1bq0 h ARG 18 Ca 0.00 -0.24 -0.37 0.00 -0.00 0.00 0.00 59.98 59.37 1bq0 h ARG 18 Cb 0.59 0.09 -0.05 0.00 -0.00 0.00 0.00 29.97 30.60 1bq0 h ARG 18 CO 0.00 1.12 -2.24 -1.91 -0.00 0.00 0.00 179.97 176.94 1bq0 n GLU 19 N -4.09 0.68 0.33 0.08 2.13 -1.26 -3.48 120.64 115.04 1bq0 n GLU 19 Ca -0.27 0.16 0.22 0.00 0.66 0.00 0.00 57.16 57.93 1bq0 n GLU 19 Cb 0.81 -1.60 1.14 0.00 0.27 0.00 0.00 31.44 32.06 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 0.02 0.03 0.00 6.31 5.03 -1.79 2.99 117.51 130.10 1bq0 h ILE 20 Ca -0.50 -0.07 -0.05 0.00 -0.12 0.00 0.00 64.86 64.13 1bq0 h ILE 20 Cb 2.03 1.07 -0.01 0.00 -3.03 0.00 0.00 36.82 36.87 1bq0 h ILE 20 CO 0.00 0.00 -1.08 0.08 -0.68 0.00 0.00 178.15 176.48 1bq0 h ARG 21 N 0.00 0.00 0.00 2.37 0.11 -1.67 -2.24 114.38 112.95 1bq0 h ARG 21 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1bq0 h ARG 21 Cb 0.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 1bq0 h ARG 21 CO 0.00 0.09 -1.63 1.17 0.10 0.00 0.00 179.97 179.70 1bq0 n LYS 22 N -2.76 0.66 0.01 0.08 4.81 -0.27 -4.04 118.16 116.65 1bq0 n LYS 22 Ca -0.03 -0.10 -0.22 0.00 -0.87 0.00 0.00 58.31 57.10 1bq0 n LYS 22 Cb 0.63 -1.31 -0.14 0.00 0.02 0.00 0.00 35.03 34.24 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 1.09 0.25 0.62 3.14 0.00 0.52 -1.72 119.26 123.14 1bq0 h ALA 23 Ca -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 54.91 53.64 1bq0 h ALA 23 Cb 0.78 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bq0 h ALA 23 CO 0.00 0.97 -0.32 -0.92 0.00 0.00 0.00 179.25 178.98 1bq0 h TYR 24 N -0.21 -0.84 -0.23 0.00 3.20 -1.46 -0.08 116.97 117.33 1bq0 h TYR 24 Ca -0.35 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 1bq0 h TYR 24 Cb 1.84 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 40.39 1bq0 h TYR 24 CO 0.11 -0.51 0.08 -0.22 -1.64 0.00 0.00 178.16 175.98 1bq0 h LYS 25 N -0.87 0.36 -0.38 1.82 3.64 -1.73 1.14 116.57 120.55 1bq0 h LYS 25 Ca -0.08 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1bq0 h LYS 25 Cb 0.68 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1bq0 h LYS 25 CO 0.12 0.42 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.41 1bq0 h ARG 26 N 0.22 -0.15 0.11 1.90 2.43 -1.16 2.07 114.38 119.80 1bq0 h ARG 26 Ca 0.08 0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.99 1bq0 h ARG 26 Cb 0.20 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1bq0 h ARG 26 CO -0.00 -0.10 -1.20 1.25 -1.51 0.00 0.00 179.97 178.40 1bq0 h LEU 27 N -0.16 0.35 -0.48 3.80 7.12 -0.87 -3.28 115.31 121.78 1bq0 h LEU 27 Ca 0.18 -0.37 -0.17 0.00 0.13 0.00 0.00 57.88 57.65 1bq0 h LEU 27 Cb 0.45 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1bq0 h LEU 27 CO -0.47 1.29 -0.73 0.00 -0.13 0.00 0.00 178.44 178.40 1bq0 h ALA 28 N 0.65 0.70 -0.79 1.25 0.00 0.19 -2.98 119.26 118.28 1bq0 h ALA 28 Ca -0.11 -0.63 0.17 0.00 0.00 0.00 0.00 54.91 54.34 1bq0 h ALA 28 Cb 1.94 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.53 1bq0 h ALA 28 CO 0.19 0.83 0.26 0.52 0.00 0.00 0.00 179.25 181.05 1bq0 h MET 29 N 0.13 0.33 0.00 0.00 2.86 0.33 3.52 114.93 122.10 1bq0 h MET 29 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1bq0 h MET 29 Cb 1.30 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1bq0 h MET 29 CO 0.11 0.22 0.15 0.87 1.06 0.00 0.00 176.91 179.32 1bq0 h LYS 30 N 0.34 0.00 0.00 1.72 1.57 -1.63 -2.49 116.57 116.08 1bq0 h LYS 30 Ca 0.46 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.15 1bq0 h LYS 30 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1bq0 h LYS 30 CO -0.50 0.00 -1.32 0.66 -0.57 0.00 0.00 179.45 177.71 1bq0 n TYR 31 N -2.60 0.00 -0.29 -1.35 4.01 0.90 -4.98 117.16 112.85 1bq0 n TYR 31 Ca -0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.69 1bq0 n TYR 31 Cb 0.20 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 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 -2.30 0.00 0.26 -0.72 8.25 0.97 -4.66 115.22 117.02 1bq0 n HIS 32 Ca -0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.51 1bq0 n HIS 32 Cb 0.64 -0.11 0.72 0.00 1.12 0.00 0.00 29.99 32.37 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 2.20 0.00 -0.99 -0.41 0.13 -1.87 -0.79 132.00 130.27 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 0.23 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.20 1bq0 h PRO 33 CO 0.31 0.11 0.49 0.22 -0.23 0.00 0.00 178.00 178.90 1bq0 h ASP 34 N 0.00 0.32 0.00 1.44 3.58 -2.00 0.21 116.42 119.97 1bq0 h ASP 34 Ca -0.00 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1bq0 h ASP 34 Cb 0.39 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1bq0 h ASP 34 CO 0.01 -0.29 -1.04 -2.11 -2.88 0.00 0.00 179.24 172.93 1bq0 n ARG 35 N -5.19 1.73 -3.31 0.28 1.85 -1.14 -4.77 116.66 106.11 1bq0 n ARG 35 Ca 0.33 -0.05 -0.34 0.00 -1.00 0.00 0.00 57.85 56.79 1bq0 n ARG 35 Cb 1.08 -1.12 -0.05 0.00 -1.05 0.00 0.00 32.46 31.33 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 -1.59 4.80 0.00 2.89 3.02 0.72 -4.84 115.26 120.26 1bq0 n ASN 36 Ca -0.00 -3.39 0.05 0.00 -0.03 0.00 0.00 54.58 51.21 1bq0 n ASN 36 Cb 0.21 -0.95 0.29 0.00 -0.61 0.00 0.00 39.78 38.73 1bq0 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bq0 n GLN 37 N 1.25 0.77 -0.30 3.52 6.02 -1.09 -2.44 117.38 125.10 1bq0 n GLN 37 Ca 0.27 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.31 1bq0 n GLN 37 Cb 0.37 -1.20 0.19 0.00 1.02 0.00 0.00 30.24 30.62 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 0.38 1.34 0.48 1.08 0.00 -1.26 -3.70 105.19 103.51 1bq0 n GLY 38 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.53 0.00 -0.06 1.61 8.00 -1.02 -4.92 116.55 120.70 1bq0 n ASP 39 Ca 0.14 -1.41 0.23 0.00 0.71 0.00 0.00 54.79 54.45 1bq0 n ASP 39 Cb 0.48 -0.08 0.53 0.00 -0.02 0.00 0.00 41.12 42.02 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1bq0 h LYS 40 N 0.00 0.00 0.00 -1.24 1.57 -1.65 2.11 116.57 117.36 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 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 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 -3.32 0.03 0.14 3.15 0.00 -1.26 -0.67 120.64 118.71 1bq0 n GLU 41 Ca 0.16 0.31 0.13 0.00 0.00 0.00 0.00 57.16 57.76 1bq0 n GLU 41 Cb 1.16 -1.50 0.43 0.00 0.00 0.00 0.00 31.44 31.53 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 2.34 1.00 -1.44 4.31 0.00 0.31 -3.16 119.26 122.62 1bq0 h ALA 42 Ca 0.00 0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.35 1bq0 h ALA 42 Cb 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1bq0 h ALA 42 CO 0.00 0.00 0.98 1.49 0.00 0.00 0.00 179.25 181.72 1bq0 h GLU 43 N 0.00 0.08 -0.28 0.00 4.22 -1.05 2.34 114.58 119.88 1bq0 h GLU 43 Ca 0.00 -0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 1bq0 h GLU 43 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1bq0 h GLU 43 CO 0.00 0.05 -0.32 0.00 -2.18 0.00 0.00 179.01 176.56 1bq0 h ALA 44 N 1.41 0.92 -0.69 2.92 0.00 -1.79 -2.13 119.26 119.91 1bq0 h ALA 44 Ca 0.78 -0.40 0.20 0.00 0.00 0.00 0.00 54.91 55.49 1bq0 h ALA 44 Cb 2.73 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 20.37 1bq0 h ALA 44 CO -0.22 0.62 0.70 -0.22 0.00 0.00 0.00 179.25 180.13 1bq0 h LYS 45 N 0.50 0.00 -0.16 0.00 1.63 0.37 2.48 116.57 121.40 1bq0 h LYS 45 Ca 0.06 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1bq0 h LYS 45 Cb 0.80 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 1bq0 h LYS 45 CO 0.07 0.00 0.11 0.74 -3.45 0.00 0.00 179.45 176.92 1bq0 h PHE 46 N 0.00 0.12 0.00 1.91 0.04 -1.37 1.48 116.94 119.12 1bq0 h PHE 46 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1bq0 h PHE 46 Cb 1.73 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.84 1bq0 h PHE 46 CO 0.00 0.07 0.00 0.36 -0.60 0.00 0.00 178.31 178.14 1bq0 n LYS 47 N -4.51 0.16 -0.03 1.51 2.85 0.83 0.30 118.16 119.27 1bq0 n LYS 47 Ca 0.00 0.21 -0.13 0.00 -1.05 0.00 0.00 58.31 57.34 1bq0 n LYS 47 Cb 0.15 -1.71 -0.14 0.00 -0.65 0.00 0.00 35.03 32.68 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 -1.99 0.68 -0.07 -1.58 -0.58 0.47 -3.68 120.64 113.89 1bq0 n GLU 48 Ca 0.05 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.91 1bq0 n GLU 48 Cb 0.34 -1.72 -0.05 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 -3.17 0.73 0.23 -3.67 -0.00 0.11 -3.49 119.36 110.10 1bq0 n ILE 49 Ca -0.25 -0.20 0.10 0.00 -0.00 0.00 0.00 62.75 62.40 1bq0 n ILE 49 Cb 1.06 -1.53 0.50 0.00 -0.00 0.00 0.00 39.64 39.67 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 -0.38 0.00 0.08 0.38 3.64 0.43 2.73 116.57 123.46 1bq0 h LYS 50 Ca -0.33 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.71 1bq0 h LYS 50 Cb 1.32 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1bq0 h LYS 50 CO -0.17 0.21 -1.89 -1.91 -2.27 0.00 0.00 179.45 173.42 1bq0 n GLU 51 N -3.42 0.72 -0.08 1.90 4.07 0.62 -2.87 120.64 121.57 1bq0 n GLU 51 Ca -0.00 0.28 -0.16 0.00 -0.06 0.00 0.00 57.16 57.21 1bq0 n GLU 51 Cb 0.40 -1.74 -0.11 0.00 -0.06 0.00 0.00 31.44 29.93 1bq0 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bq0 h ALA 52 N 0.40 0.11 0.00 4.31 0.00 -1.55 -3.31 119.26 119.22 1bq0 h ALA 52 Ca -0.37 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1bq0 h ALA 52 Cb 2.03 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.16 1bq0 h ALA 52 CO 0.09 0.32 0.00 2.48 0.00 0.00 0.00 179.25 182.14 1bq0 n TYR 53 N -4.55 0.00 0.32 0.00 4.11 0.91 -2.86 117.16 115.10 1bq0 n TYR 53 Ca -0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 57.86 1bq0 n TYR 53 Cb 0.53 0.00 0.46 0.00 -0.00 0.00 0.00 39.34 40.32 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 0.00 -3.48 4.81 -1.44 -3.24 114.58 111.23 1bq0 h GLU 54 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1bq0 h GLU 54 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1bq0 h GLU 54 CO 0.00 0.00 -1.74 1.55 -0.73 0.00 0.00 179.01 178.09 1bq0 n VAL 55 N -2.87 0.56 0.19 0.32 3.14 -1.13 -4.36 118.33 114.18 1bq0 n VAL 55 Ca 0.02 -0.44 0.12 0.00 -2.96 0.00 0.00 64.34 61.08 1bq0 n VAL 55 Cb 0.38 -0.41 0.61 0.00 -1.06 0.00 0.00 33.84 33.36 1bq0 n VAL 55 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1bq0 h LEU 56 N 0.00 0.00 -3.29 6.55 5.85 -1.64 0.39 115.31 123.17 1bq0 h LEU 56 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1bq0 h LEU 56 Cb 1.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1bq0 h LEU 56 CO 0.01 0.00 0.00 1.07 -0.34 0.00 0.00 178.44 179.18 1bq0 n THR 57 N -2.29 2.20 -3.93 1.05 5.66 -1.24 -3.43 114.28 112.30 1bq0 n THR 57 Ca -0.01 -1.45 -0.09 0.00 -3.05 0.00 0.00 64.05 59.44 1bq0 n THR 57 Cb 0.05 -0.08 -0.07 0.00 -1.55 0.00 0.00 70.33 68.68 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 -1.19 0.13 -0.01 1.09 -1.08 0.14 -4.67 116.67 111.07 1bq0 s ASP 58 Ca 0.47 -0.79 0.11 0.00 -0.52 0.00 0.00 52.55 51.82 1bq0 s ASP 58 Cb 0.34 0.36 -0.14 0.00 -1.46 0.00 0.00 42.92 42.02 1bq0 s ASP 58 CO 0.16 -0.78 0.37 -1.20 0.52 0.00 0.00 175.17 174.25 1bq0 n SER 59 N -0.11 1.31 0.10 -0.34 7.64 -1.26 -4.07 113.62 116.89 1bq0 n SER 59 Ca -0.12 -0.44 0.05 0.00 1.01 0.00 0.00 58.87 59.37 1bq0 n SER 59 Cb 0.63 1.21 -0.00 0.00 -1.01 0.00 0.00 64.21 65.04 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 0.00 0.10 1.43 3.07 -1.97 -3.26 115.11 114.49 1bq0 h GLN 60 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.42 1bq0 h GLN 60 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 1bq0 h GLN 60 CO 0.00 0.26 -1.68 0.87 0.09 0.00 0.00 178.83 178.36 1bq0 h LYS 61 N 0.00 0.21 -0.19 0.06 1.57 -1.85 -3.33 116.57 113.04 1bq0 h LYS 61 Ca -0.06 -0.36 0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1bq0 h LYS 61 Cb 1.33 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.71 1bq0 h LYS 61 CO 0.04 1.03 -0.46 0.00 -0.57 0.00 0.00 179.45 179.49 1bq0 h ARG 62 N 0.06 -0.47 -1.05 3.15 2.47 -1.71 3.00 114.38 119.83 1bq0 h ARG 62 Ca -0.30 0.03 0.30 0.00 -1.26 0.00 0.00 59.98 58.76 1bq0 h ARG 62 Cb 2.02 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 30.41 1bq0 h ARG 62 CO 0.13 -0.31 0.87 0.00 0.56 0.00 0.00 179.97 181.21 1bq0 h ALA 63 N 0.07 2.93 0.00 0.04 0.00 -1.68 3.05 119.26 123.67 1bq0 h ALA 63 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1bq0 h ALA 63 Cb 0.63 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1bq0 h ALA 63 CO -0.44 -1.41 -0.74 0.00 0.00 0.00 0.00 179.25 176.66 1bq0 h ALA 64 N 1.25 0.11 -0.02 0.00 0.00 0.19 -3.38 119.26 117.41 1bq0 h ALA 64 Ca 0.50 -0.76 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1bq0 h ALA 64 Cb 2.23 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 20.53 1bq0 h ALA 64 CO -0.01 0.51 -0.61 1.88 0.00 0.00 0.00 179.25 181.03 1bq0 h TYR 65 N -1.00 0.11 -0.02 0.00 0.05 0.60 -2.03 116.97 114.67 1bq0 h TYR 65 Ca -0.14 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.60 1bq0 h TYR 65 Cb 0.83 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 1bq0 h TYR 65 CO -0.04 0.67 0.04 0.38 -1.05 0.00 0.00 178.16 178.16 1bq0 h ASP 66 N 0.06 0.00 0.00 3.88 2.03 0.53 0.57 116.42 123.49 1bq0 h ASP 66 Ca -0.01 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 1bq0 h ASP 66 Cb 1.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 1bq0 h ASP 66 CO 0.08 0.00 -2.00 0.00 -1.03 0.00 0.00 179.24 176.29 1bq0 n GLN 67 N -3.59 0.69 -0.41 4.15 6.02 -1.07 -4.26 117.38 118.90 1bq0 n GLN 67 Ca -0.02 -0.14 0.09 0.00 -0.01 0.00 0.00 57.00 56.91 1bq0 n GLN 67 Cb 0.12 -1.48 0.29 0.00 1.02 0.00 0.00 30.24 30.20 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bq0 n TYR 68 N -2.31 1.04 -0.57 1.08 4.02 -0.52 -4.68 117.16 115.21 1bq0 n TYR 68 Ca -0.10 -0.46 -0.17 0.00 -0.01 0.00 0.00 57.90 57.16 1bq0 n TYR 68 Cb 0.65 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.87 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bq0 n GLY 69 N 1.31 2.77 0.00 2.72 0.00 0.08 -3.48 105.19 108.58 1bq0 n GLY 69 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 4.32 0.00 -0.18 1.61 -0.00 -1.26 -4.84 115.22 114.87 1bq0 n HIS 70 Ca 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.97 1bq0 n HIS 70 Cb 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.15 1bq0 n HIS 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bq0 n ALA 71 N -3.00 4.06 -0.33 1.57 0.00 -1.26 -4.58 120.51 116.96 1bq0 n ALA 71 Ca 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 53.44 52.57 1bq0 n ALA 71 Cb 0.00 -1.19 0.29 0.00 0.00 0.00 0.00 19.45 18.55 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 1.52 1.19 0.00 0.00 0.00 -1.93 -2.84 119.26 117.20 1bq0 h ALA 72 Ca 0.20 0.33 -0.12 0.00 0.00 0.00 0.00 54.91 55.32 1bq0 h ALA 72 Cb 1.31 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1bq0 h ALA 72 CO 0.43 -0.57 -1.51 1.19 0.00 0.00 0.00 179.25 178.79 1bq0 n PHE 73 N -5.46 0.00 0.00 0.00 3.01 -1.26 -4.99 117.46 108.76 1bq0 n PHE 73 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.69 1bq0 n PHE 73 Cb 0.76 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1bq0 n PHE 73 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bq0 n GLU 74 N -2.21 0.00 -3.32 -1.08 2.13 -1.08 -4.64 120.64 110.45 1bq0 n GLU 74 Ca -0.11 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.60 1bq0 n GLU 74 Cb 0.67 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.39 1bq0 n GLU 74 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1bq0 n GLN 75 N 0.00 -1.47 0.00 5.31 7.27 -1.26 -4.73 117.38 122.50 1bq0 n GLN 75 Ca 0.00 1.12 0.00 0.00 0.07 0.00 0.00 57.00 58.19 1bq0 n GLN 75 Cb 0.00 -4.85 0.00 0.00 2.41 0.00 0.00 30.24 27.80 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bq0 n GLY 76 N -1.66 0.23 0.00 1.69 0.00 -1.26 -5.27 105.19 98.91 1bq0 n GLY 76 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93