#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqz n LYS 2 N 0.00 -0.68 -2.96 0.00 4.01 -1.26 -4.89 118.16 112.38 1bqz n LYS 2 Ca 0.00 0.27 -0.28 0.00 -0.51 0.00 0.00 58.31 57.79 1bqz n LYS 2 Cb 0.00 -3.11 -0.04 0.00 -0.51 0.00 0.00 35.03 31.37 1bqz n LYS 2 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1bqz n GLN 3 N -4.55 3.32 -3.75 1.97 6.02 -1.26 -4.45 117.38 114.68 1bqz n GLN 3 Ca -0.11 -4.84 -0.36 0.00 -0.01 0.00 0.00 57.00 51.67 1bqz n GLN 3 Cb 0.58 -2.26 -0.11 0.00 1.02 0.00 0.00 30.24 29.48 1bqz n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bqz s ASP 4 N -3.27 5.22 0.00 1.08 2.15 -1.26 -4.62 116.67 115.97 1bqz s ASP 4 Ca 0.48 -2.43 0.00 0.00 0.43 0.00 0.00 52.55 51.03 1bqz s ASP 4 Cb 0.26 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 1bqz s ASP 4 CO -0.13 -0.46 0.00 0.00 -0.17 0.00 0.00 175.17 174.41 1bqz n TYR 5 N 4.06 0.00 -0.45 -5.34 4.11 -1.26 0.33 117.16 118.61 1bqz n TYR 5 Ca 0.02 0.00 0.39 0.00 -0.00 0.00 0.00 57.90 58.31 1bqz n TYR 5 Cb 0.39 0.00 0.72 0.00 -0.00 0.00 0.00 39.34 40.45 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 1bqz h TYR 6 N 0.00 0.20 0.02 -3.48 0.05 -1.86 2.31 116.97 114.21 1bqz h TYR 6 Ca 0.00 0.01 -0.30 0.00 0.05 0.00 0.00 58.73 58.49 1bqz h TYR 6 Cb 0.00 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 1bqz h TYR 6 CO 0.00 -0.04 -1.70 1.49 -1.05 0.00 0.00 178.16 176.86 1bqz h GLU 7 N 0.07 0.05 -0.74 4.88 4.57 0.54 1.60 114.58 125.55 1bqz h GLU 7 Ca 0.73 -0.08 0.17 0.00 -1.18 0.00 0.00 59.36 58.99 1bqz h GLU 7 Cb 2.65 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 31.15 1bqz h GLU 7 CO -0.14 0.65 0.06 0.82 -1.18 0.00 0.00 179.01 179.22 1bqz h ILE 8 N 0.01 0.40 0.00 2.32 1.08 0.38 0.91 117.51 122.62 1bqz h ILE 8 Ca -0.29 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.08 1bqz h ILE 8 Cb 2.00 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1bqz h ILE 8 CO 0.09 0.03 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.23 1bqz h LEU 9 N 0.15 0.00 0.00 1.44 4.07 -1.18 -3.46 115.31 116.33 1bqz h LEU 9 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1bqz h LEU 9 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1bqz h LEU 9 CO -0.61 0.26 0.00 0.61 -1.08 0.00 0.00 178.44 177.62 1bqz n GLY 10 N 1.17 1.00 2.19 0.83 0.00 0.32 -4.50 105.19 106.19 1bqz n GLY 10 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1bqz n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bqz n VAL 11 N -2.00 0.00 -3.20 1.61 0.31 0.54 -4.91 118.33 110.68 1bqz n VAL 11 Ca 0.00 -1.09 -0.33 0.00 -0.01 0.00 0.00 64.34 62.91 1bqz n VAL 11 Cb 0.00 -0.71 -0.06 0.00 -0.91 0.00 0.00 33.84 32.16 1bqz n VAL 11 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1bqz s SER 12 N -3.01 6.80 0.62 4.52 0.01 -1.25 -3.69 113.70 117.70 1bqz s SER 12 Ca 0.34 1.22 0.23 0.00 1.31 0.00 0.00 55.95 59.05 1bqz s SER 12 Cb -0.03 -2.35 1.26 0.00 0.21 0.00 0.00 66.02 65.12 1bqz s SER 12 CO 0.21 -0.11 1.70 0.07 0.41 0.00 0.00 173.24 175.52 1bqz h LYS 13 N 2.63 0.00 -0.34 12.44 2.10 -1.92 2.13 116.57 133.61 1bqz h LYS 13 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1bqz h LYS 13 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1bqz h LYS 13 CO 0.66 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.36 1bqz n THR 14 N -2.72 1.57 0.00 0.07 -2.24 -1.26 -4.19 114.28 105.52 1bqz n THR 14 Ca -0.02 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 1bqz n THR 14 Cb 0.47 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1bqz n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bqz n ALA 15 N 0.17 0.00 -3.09 6.98 0.00 0.72 -5.08 120.51 120.22 1bqz n ALA 15 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1bqz n ALA 15 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1bqz n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bqz n GLU 16 N 0.00 0.08 0.00 0.00 1.02 -1.26 -4.99 120.64 115.49 1bqz n GLU 16 Ca 0.00 -0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1bqz n GLU 16 Cb 0.00 0.22 0.41 0.00 -0.02 0.00 0.00 31.44 32.05 1bqz n GLU 16 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bqz n GLU 17 N -0.07 0.48 0.07 3.49 -0.00 -1.26 -2.93 120.64 120.42 1bqz n GLU 17 Ca -0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 57.16 56.86 1bqz n GLU 17 Cb 0.06 -1.49 -0.09 0.00 -0.00 0.00 0.00 31.44 29.91 1bqz n GLU 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1bqz h ARG 18 N 0.59 0.00 0.00 3.44 0.11 -1.96 -1.29 114.38 115.28 1bqz h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bqz h ARG 18 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1bqz h ARG 18 CO 0.00 0.82 -1.52 -0.85 0.10 0.00 0.00 179.97 178.52 1bqz n GLU 19 N -3.28 0.41 -0.05 0.08 0.28 -1.25 -3.39 120.64 113.44 1bqz n GLU 19 Ca -0.02 -0.11 -0.07 0.00 -0.16 0.00 0.00 57.16 56.81 1bqz n GLU 19 Cb 0.90 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.21 1bqz n GLU 19 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1bqz h ILE 20 N 0.00 0.87 -0.87 3.84 5.03 -1.57 0.73 117.51 125.53 1bqz h ILE 20 Ca 0.00 -1.63 0.23 0.00 -0.12 0.00 0.00 64.86 63.35 1bqz h ILE 20 Cb 0.75 1.63 -0.05 0.00 -3.03 0.00 0.00 36.82 36.13 1bqz h ILE 20 CO 0.00 0.29 0.61 0.08 -0.68 0.00 0.00 178.15 178.45 1bqz h ARG 21 N -1.00 0.13 0.20 2.37 -0.00 -1.42 -0.23 114.38 114.44 1bqz h ARG 21 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1bqz h ARG 21 Cb 0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.43 1bqz h ARG 21 CO 0.00 0.09 -0.10 -0.22 -0.00 0.00 0.00 179.97 179.74 1bqz h LYS 22 N 0.13 -0.26 -0.54 0.08 3.11 -1.55 -1.50 116.57 116.05 1bqz h LYS 22 Ca 0.43 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 58.39 1bqz h LYS 22 Cb 1.48 0.06 -0.11 0.00 -1.00 0.00 0.00 32.23 32.66 1bqz h LYS 22 CO -0.07 0.10 -0.28 0.00 -2.81 0.00 0.00 179.45 176.39 1bqz h ALA 23 N -0.54 0.04 0.00 5.00 0.00 0.22 3.04 119.26 127.02 1bqz h ALA 23 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bqz h ALA 23 Cb 0.47 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bqz h ALA 23 CO 0.04 -0.62 0.00 -0.92 0.00 0.00 0.00 179.25 177.75 1bqz h TYR 24 N -0.15 0.00 0.11 0.00 3.20 -1.31 1.13 116.97 119.95 1bqz h TYR 24 Ca 0.23 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.74 1bqz h TYR 24 Cb 0.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1bqz h TYR 24 CO -0.57 0.00 -2.01 1.17 -1.64 0.00 0.00 178.16 175.11 1bqz n LYS 25 N -2.39 0.74 0.03 1.82 0.00 0.47 -2.90 118.16 115.94 1bqz n LYS 25 Ca 0.02 0.25 -0.20 0.00 0.00 0.00 0.00 58.31 58.39 1bqz n LYS 25 Cb 0.23 -1.70 -0.14 0.00 0.00 0.00 0.00 35.03 33.42 1bqz n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bqz h ARG 26 N 0.06 0.27 0.09 1.64 3.08 0.51 -2.99 114.38 117.03 1bqz h ARG 26 Ca -0.43 -0.46 -0.25 0.00 0.07 0.00 0.00 59.98 58.91 1bqz h ARG 26 Cb 2.03 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 32.24 1bqz h ARG 26 CO 0.08 1.15 -1.14 1.37 -1.07 0.00 0.00 179.97 180.35 1bqz h LEU 27 N 0.07 0.34 0.09 3.04 8.10 0.12 -3.13 115.31 123.94 1bqz h LEU 27 Ca -0.35 -0.34 -0.29 0.00 0.11 0.00 0.00 57.88 57.00 1bqz h LEU 27 Cb 2.05 -0.11 0.03 0.00 -0.44 0.00 0.00 40.66 42.19 1bqz h LEU 27 CO 0.13 1.25 -1.21 0.00 -4.11 0.00 0.00 178.44 174.50 1bqz h ALA 28 N 0.71 0.03 -0.15 0.17 0.00 -1.56 0.89 119.26 119.35 1bqz h ALA 28 Ca -0.10 -0.76 0.04 0.00 0.00 0.00 0.00 54.91 54.09 1bqz h ALA 28 Cb 1.87 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1bqz h ALA 28 CO 0.18 0.71 0.14 0.00 0.00 0.00 0.00 179.25 180.28 1bqz h MET 29 N 0.29 0.00 0.00 0.00 -0.00 -1.62 2.10 114.93 115.70 1bqz h MET 29 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.52 1bqz h MET 29 Cb 1.88 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.48 1bqz h MET 29 CO 0.23 0.00 -0.86 0.87 -0.00 0.00 0.00 176.91 177.15 1bqz h LYS 30 N 0.00 0.00 -0.31 -0.10 1.57 -1.43 -3.31 116.57 112.98 1bqz h LYS 30 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1bqz h LYS 30 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1bqz h LYS 30 CO -0.00 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1bqz n TYR 31 N -2.75 0.65 0.00 -1.35 4.02 0.22 -4.83 117.16 113.12 1bqz n TYR 31 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 1bqz n TYR 31 Cb 0.56 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1bqz n TYR 31 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1bqz n HIS 32 N 0.10 0.00 -0.41 -0.72 1.44 0.65 -3.67 115.22 112.61 1bqz n HIS 32 Ca 0.15 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.80 1bqz n HIS 32 Cb 0.61 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.66 1bqz n HIS 32 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1bqz n PRO 33 N 0.00 0.87 -0.09 -1.40 -0.04 -1.26 -3.32 135.00 129.76 1bqz n PRO 33 Ca 0.00 -0.50 -0.14 0.00 -0.04 0.00 0.00 63.50 62.82 1bqz n PRO 33 Cb 0.00 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1bqz n PRO 33 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bqz n ASP 34 N 3.04 2.38 0.00 3.54 5.68 -1.26 -4.88 116.55 125.05 1bqz n ASP 34 Ca 0.19 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1bqz n ASP 34 Cb 0.32 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1bqz n ARG 35 N -3.18 0.06 -0.16 0.11 -4.01 -1.21 -4.83 116.66 103.45 1bqz n ARG 35 Ca -0.33 0.00 0.28 0.00 -1.04 0.00 0.00 57.85 56.76 1bqz n ARG 35 Cb 0.83 -0.40 0.59 0.00 -3.04 0.00 0.00 32.46 30.43 1bqz n ARG 35 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1bqz h ASN 36 N 0.00 0.00 0.13 2.89 2.35 -1.62 2.12 115.58 121.44 1bqz h ASN 36 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bqz h ASN 36 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1bqz h ASN 36 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1bqz n GLN 37 N -3.50 0.43 -1.21 0.81 6.02 -1.26 -2.60 117.38 116.06 1bqz n GLN 37 Ca 0.20 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.28 1bqz n GLN 37 Cb 1.26 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 31.12 1bqz n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bqz n GLY 38 N 0.14 2.92 3.00 1.08 0.00 0.72 -4.96 105.19 108.08 1bqz n GLY 38 Ca 0.11 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1bqz n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqz s ASP 39 N -2.64 4.77 -0.21 1.61 1.11 -1.07 -4.92 116.67 115.31 1bqz s ASP 39 Ca 0.36 -3.13 0.01 0.00 0.18 0.00 0.00 52.55 49.97 1bqz s ASP 39 Cb 0.38 -1.72 0.29 0.00 1.07 0.00 0.00 42.92 42.94 1bqz s ASP 39 CO -0.12 -0.25 1.49 0.29 1.18 0.00 0.00 175.17 177.76 1bqz n LYS 40 N 3.01 1.59 0.00 8.23 4.76 -1.26 -3.01 118.16 131.48 1bqz n LYS 40 Ca 0.09 -1.37 0.00 0.00 -2.87 0.00 0.00 58.31 54.16 1bqz n LYS 40 Cb 0.34 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1bqz n GLU 41 N -0.17 0.00 0.14 1.97 0.28 -1.26 -4.86 120.64 116.74 1bqz n GLU 41 Ca 0.27 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.40 1bqz n GLU 41 Cb 0.98 0.00 0.47 0.00 1.43 0.00 0.00 31.44 34.32 1bqz n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqz h ALA 42 N 0.00 1.00 -0.71 -1.84 0.00 -1.95 -3.22 119.26 112.54 1bqz h ALA 42 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1bqz h ALA 42 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1bqz h ALA 42 CO 0.00 0.00 -0.31 1.49 0.00 0.00 0.00 179.25 180.43 1bqz h GLU 43 N 0.00 -0.09 -0.43 0.00 4.81 -1.87 -0.09 114.58 116.91 1bqz h GLU 43 Ca 0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1bqz h GLU 43 Cb 0.52 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 1bqz h GLU 43 CO 0.00 -0.06 -0.29 0.00 -0.73 0.00 0.00 179.01 177.92 1bqz h ALA 44 N 1.25 -0.08 -0.33 2.92 0.00 -1.87 1.28 119.26 122.42 1bqz h ALA 44 Ca 0.29 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.42 1bqz h ALA 44 Cb 0.56 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1bqz h ALA 44 CO -0.76 -0.67 0.41 -0.22 0.00 0.00 0.00 179.25 178.00 1bqz h LYS 45 N -0.21 0.00 0.03 0.00 3.64 -1.24 3.69 116.57 122.48 1bqz h LYS 45 Ca 0.19 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1bqz h LYS 45 Cb 0.52 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1bqz h LYS 45 CO -0.55 0.00 -0.74 0.74 -2.27 0.00 0.00 179.45 176.63 1bqz h PHE 46 N 0.00 0.68 0.00 1.91 0.04 0.20 -3.14 116.94 116.63 1bqz h PHE 46 Ca 0.16 -0.39 -0.17 0.00 2.80 0.00 0.00 57.97 60.36 1bqz h PHE 46 Cb 0.97 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1bqz h PHE 46 CO 0.00 1.23 -1.29 1.57 -0.60 0.00 0.00 178.31 179.22 1bqz h LYS 47 N -0.06 0.00 -1.03 1.51 5.09 0.38 -3.27 116.57 119.18 1bqz h LYS 47 Ca -0.10 0.00 0.26 0.00 0.09 0.00 0.00 60.65 60.90 1bqz h LYS 47 Cb 1.46 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 33.69 1bqz h LYS 47 CO 0.14 0.37 0.65 0.93 -2.09 0.00 0.00 179.45 179.46 1bqz h GLU 48 N 0.00 0.42 -0.89 0.07 4.39 0.68 2.16 114.58 121.41 1bqz h GLU 48 Ca -0.15 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1bqz h GLU 48 Cb 1.61 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.11 1bqz h GLU 48 CO 0.06 0.28 0.58 0.82 -1.16 0.00 0.00 179.01 179.59 1bqz h ILE 49 N 0.44 1.20 0.00 3.13 2.04 -1.59 0.57 117.51 123.29 1bqz h ILE 49 Ca 0.61 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1bqz h ILE 49 Cb 1.44 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1bqz h ILE 49 CO -0.33 0.21 0.00 1.17 0.00 0.00 0.00 178.15 179.20 1bqz n LYS 50 N -4.49 0.05 -0.03 2.37 0.00 0.72 -2.38 118.16 114.40 1bqz n LYS 50 Ca 0.10 0.23 -0.21 0.00 0.00 0.00 0.00 58.31 58.43 1bqz n LYS 50 Cb 0.04 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.44 1bqz n LYS 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1bqz n GLU 51 N -1.44 0.71 -0.55 1.64 4.07 0.18 -4.02 120.64 121.23 1bqz n GLU 51 Ca 0.04 0.29 0.43 0.00 -0.06 0.00 0.00 57.16 57.86 1bqz n GLU 51 Cb 0.15 -1.68 0.68 0.00 -0.06 0.00 0.00 31.44 30.53 1bqz n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bqz n ALA 52 N -3.14 1.51 -0.28 4.31 0.00 -0.18 0.28 120.51 123.00 1bqz n ALA 52 Ca -0.35 0.65 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1bqz n ALA 52 Cb 0.98 -0.98 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1bqz n ALA 52 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bqz h TYR 53 N 0.00 0.86 -0.72 0.00 -1.99 -1.70 0.38 116.97 113.80 1bqz h TYR 53 Ca 0.81 0.03 0.21 0.00 2.00 0.00 0.00 58.73 61.78 1bqz h TYR 53 Cb 3.04 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 41.47 1bqz h TYR 53 CO -0.00 0.40 0.91 0.93 -0.00 0.00 0.00 178.16 180.40 1bqz h GLU 54 N 0.83 0.00 0.00 4.88 5.08 0.38 -1.65 114.58 124.10 1bqz h GLU 54 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1bqz h GLU 54 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1bqz h GLU 54 CO -0.20 0.00 0.00 1.55 -1.00 0.00 0.00 179.01 179.36 1bqz n VAL 55 N -3.33 0.00 0.15 3.13 3.14 0.11 -4.66 118.33 116.87 1bqz n VAL 55 Ca 0.15 0.18 0.17 0.00 -2.96 0.00 0.00 64.34 61.88 1bqz n VAL 55 Cb 1.15 -1.16 0.57 0.00 -1.06 0.00 0.00 33.84 33.34 1bqz n VAL 55 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1bqz h LEU 56 N 0.00 0.00 -2.03 6.55 8.10 -1.07 0.72 115.31 127.58 1bqz h LEU 56 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1bqz h LEU 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1bqz h LEU 56 CO 0.00 0.00 0.00 0.35 -4.11 0.00 0.00 178.44 174.68 1bqz n THR 57 N -3.14 1.14 -3.68 0.15 -2.24 -0.62 -4.27 114.28 101.62 1bqz n THR 57 Ca 0.06 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 1bqz n THR 57 Cb 0.79 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 1bqz n THR 57 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bqz s ASP 58 N -0.47 -0.32 0.30 3.42 1.01 0.25 -5.03 116.67 115.82 1bqz s ASP 58 Ca 0.25 0.87 0.03 0.00 0.71 0.00 0.00 52.55 54.42 1bqz s ASP 58 Cb 0.18 0.94 0.63 0.00 1.01 0.00 0.00 42.92 45.68 1bqz s ASP 58 CO 0.09 -0.21 1.83 0.28 0.21 0.00 0.00 175.17 177.37 1bqz h SER 59 N 7.61 0.86 -0.98 0.27 0.02 -1.85 -1.30 113.55 118.18 1bqz h SER 59 Ca -0.27 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1bqz h SER 59 Cb 1.15 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.50 1bqz h SER 59 CO 0.22 0.43 0.62 -0.61 -1.14 0.00 0.00 176.83 176.35 1bqz h GLN 60 N 0.91 1.03 0.10 3.45 -0.00 -1.96 -1.70 115.11 116.94 1bqz h GLN 60 Ca 0.51 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 59.09 1bqz h GLN 60 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.85 1bqz h GLN 60 CO -0.28 0.68 -0.05 0.87 0.00 0.00 0.00 178.83 180.06 1bqz h LYS 61 N 1.06 -0.12 -0.59 1.69 1.79 -1.46 -1.45 116.57 117.48 1bqz h LYS 61 Ca 0.45 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 59.10 1bqz h LYS 61 Cb 0.30 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1bqz h LYS 61 CO -0.21 0.06 0.66 0.07 -1.08 0.00 0.00 179.45 178.94 1bqz h ARG 62 N -1.02 0.00 0.00 3.15 0.11 -1.36 2.65 114.38 117.92 1bqz h ARG 62 Ca -0.01 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.96 1bqz h ARG 62 Cb 0.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.30 1bqz h ARG 62 CO 0.02 0.00 -1.15 0.00 0.10 0.00 0.00 179.97 178.94 1bqz h ALA 63 N 1.24 0.63 0.00 0.08 0.00 -1.35 -2.97 119.26 116.89 1bqz h ALA 63 Ca 0.28 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1bqz h ALA 63 Cb 1.59 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1bqz h ALA 63 CO -0.00 0.61 -0.87 0.00 0.00 0.00 0.00 179.25 178.98 1bqz n ALA 64 N -2.31 0.61 0.24 0.00 0.00 0.75 -4.25 120.51 115.55 1bqz n ALA 64 Ca -0.05 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.00 1bqz n ALA 64 Cb 0.74 -0.23 0.59 0.00 0.00 0.00 0.00 19.45 20.55 1bqz n ALA 64 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bqz h TYR 65 N -1.00 0.00 -1.09 0.00 -1.99 0.26 0.55 116.97 113.70 1bqz h TYR 65 Ca -0.16 0.00 0.33 0.00 2.00 0.00 0.00 58.73 60.90 1bqz h TYR 65 Cb 0.87 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.47 1bqz h TYR 65 CO -0.08 0.15 0.66 0.38 -0.00 0.00 0.00 178.16 179.27 1bqz h ASP 66 N 0.00 0.44 0.00 3.88 2.03 -1.61 -2.41 116.42 118.75 1bqz h ASP 66 Ca -0.00 0.15 -0.12 0.00 -0.73 0.00 0.00 57.03 56.33 1bqz h ASP 66 Cb 0.28 0.10 -0.25 0.00 -0.83 0.00 0.00 39.33 38.63 1bqz h ASP 66 CO 0.02 -0.09 -0.84 0.00 -1.03 0.00 0.00 179.24 177.30 1bqz n GLN 67 N -4.86 0.09 -3.08 4.15 1.13 -0.94 -4.93 117.38 108.93 1bqz n GLN 67 Ca 0.31 -1.77 -0.21 0.00 -1.94 0.00 0.00 57.00 53.39 1bqz n GLN 67 Cb 1.06 -0.24 0.01 0.00 0.11 0.00 0.00 30.24 31.18 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bqz n TYR 68 N 0.25 -1.76 0.00 1.08 4.02 0.12 -4.26 117.16 116.61 1bqz n TYR 68 Ca 0.05 0.39 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1bqz n TYR 68 Cb 0.99 -3.40 0.00 0.00 -0.02 0.00 0.00 39.34 36.91 1bqz n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bqz n GLY 69 N -1.21 0.66 0.00 2.72 0.00 0.15 -4.50 105.19 103.00 1bqz n GLY 69 Ca -0.07 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.27 1bqz n GLY 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bqz n HIS 70 N 0.72 0.00 -0.27 1.61 1.44 -1.26 -3.13 115.22 114.33 1bqz n HIS 70 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 1bqz n HIS 70 Cb 0.00 -0.13 0.06 0.00 0.12 0.00 0.00 29.99 30.04 1bqz n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bqz h ALA 71 N 2.96 0.94 0.00 1.59 0.00 -1.84 -1.09 119.26 121.83 1bqz h ALA 71 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bqz h ALA 71 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1bqz h ALA 71 CO 0.00 0.47 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1bqz h ALA 72 N 1.20 1.23 -0.01 0.00 0.00 -1.72 0.38 119.26 120.34 1bqz h ALA 72 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bqz h ALA 72 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bqz h ALA 72 CO -0.04 -0.23 -0.22 1.19 0.00 0.00 0.00 179.25 179.95 1bqz n PHE 73 N -2.69 0.00 -4.04 0.00 3.01 -0.47 -4.97 117.46 108.29 1bqz n PHE 73 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 1bqz n PHE 73 Cb 0.29 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.73 1bqz n PHE 73 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bqz n GLU 74 N -0.02 -2.52 -2.15 -1.08 1.02 0.13 -4.81 120.64 111.21 1bqz n GLU 74 Ca 0.06 0.30 -0.43 0.00 -0.02 0.00 0.00 57.16 57.07 1bqz n GLU 74 Cb 0.28 -4.97 -0.02 0.00 -0.02 0.00 0.00 31.44 26.70 1bqz n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bqz s GLN 75 N -6.72 3.48 0.00 3.49 -0.21 -1.24 -4.64 119.66 113.82 1bqz s GLN 75 Ca 0.66 1.26 0.00 0.00 0.02 0.00 0.00 55.36 57.30 1bqz s GLN 75 Cb -0.37 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 29.53 1bqz s GLN 75 CO 0.81 -1.67 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 1bqz n GLY 76 N 5.20 0.03 0.31 3.09 0.00 -1.26 -5.03 105.19 107.54 1bqz n GLY 76 Ca 0.20 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93