#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 0.00 -1.98 0.00 4.01 -1.26 -4.93 118.16 114.00 1bqz n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1bqz n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 -0.96 1.26 -3.23 1.97 6.02 -1.26 -5.14 117.38 116.03 1bqz n GLN 3 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1bqz n GLN 3 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1bqz n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bqz s ASP 4 N -0.98 -0.59 0.05 1.08 1.11 -1.26 -5.02 116.67 111.06 1bqz s ASP 4 Ca 0.00 0.01 -0.09 0.00 0.18 0.00 0.00 52.55 52.65 1bqz s ASP 4 Cb 0.00 1.57 -0.02 0.00 1.07 0.00 0.00 42.92 45.54 1bqz s ASP 4 CO 0.00 -0.32 0.80 -1.22 1.18 0.00 0.00 175.17 175.61 1bqz n TYR 5 N 5.39 -0.13 -0.44 4.23 4.02 -1.26 0.43 117.16 129.39 1bqz n TYR 5 Ca 0.02 0.38 0.39 0.00 -0.01 0.00 0.00 57.90 58.68 1bqz n TYR 5 Cb 0.51 -0.43 0.74 0.00 -0.02 0.00 0.00 39.34 40.14 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1bqz h TYR 6 N 0.00 0.12 0.01 -0.72 0.05 -1.86 2.33 116.97 116.89 1bqz h TYR 6 Ca 0.05 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.54 1bqz h TYR 6 Cb 0.12 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 1bqz h TYR 6 CO -0.63 -0.02 -1.67 1.49 -1.05 0.00 0.00 178.16 176.28 1bqz h GLU 7 N 0.05 0.03 -0.52 4.88 4.81 0.86 1.60 114.58 126.29 1bqz h GLU 7 Ca 0.70 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.98 1bqz h GLU 7 Cb 2.65 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 31.97 1bqz h GLU 7 CO -0.08 0.60 0.03 0.82 -0.73 0.00 0.00 179.01 179.65 1bqz h ILE 8 N 0.01 0.62 0.00 2.32 1.08 2.17 0.37 117.51 124.08 1bqz h ILE 8 Ca -0.27 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1bqz h ILE 8 Cb 2.00 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1bqz h ILE 8 CO 0.09 0.03 0.00 -0.07 -0.69 0.00 0.00 178.15 177.50 1bqz h LEU 9 N 0.15 0.00 0.00 1.44 3.38 -1.28 -3.47 115.31 115.53 1bqz h LEU 9 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1bqz h LEU 9 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1bqz h LEU 9 CO -0.41 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1bqz n GLY 10 N 1.08 0.91 3.98 0.83 0.00 0.13 -4.40 105.19 107.72 1bqz n GLY 10 Ca 0.04 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1bqz n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqz s VAL 11 N -2.00 1.85 0.41 1.61 1.01 0.54 -4.93 120.40 118.90 1bqz s VAL 11 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1bqz s VAL 11 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1bqz s VAL 11 CO 0.00 0.00 0.85 -0.94 0.00 0.00 0.00 175.10 175.01 1bqz s SER 12 N -4.52 6.69 0.62 3.32 1.04 -1.25 -3.61 113.70 115.99 1bqz s SER 12 Ca 0.49 1.38 0.24 0.00 0.48 0.00 0.00 55.95 58.54 1bqz s SER 12 Cb -0.04 -2.42 1.29 0.00 0.10 0.00 0.00 66.02 64.95 1bqz s SER 12 CO 0.31 -0.39 1.71 0.07 0.98 0.00 0.00 173.24 175.93 1bqz h LYS 13 N 1.55 0.00 -0.18 4.02 -0.00 -1.93 1.19 116.57 121.22 1bqz h LYS 13 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1bqz h LYS 13 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1bqz h LYS 13 CO 0.63 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.33 1bqz n THR 14 N -2.72 1.27 0.00 0.07 -2.24 -1.26 -3.87 114.28 105.53 1bqz n THR 14 Ca -0.02 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1bqz n THR 14 Cb 0.46 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.18 0.00 0.00 6.98 0.00 0.41 -5.00 120.51 122.72 1bqz n ALA 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1bqz n ALA 15 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.10 0.00 1.02 -1.26 -4.93 120.64 115.56 1bqz n GLU 16 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 1bqz n GLU 16 Cb 0.00 0.00 0.59 0.00 -0.02 0.00 0.00 31.44 32.01 1bqz n GLU 16 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1bqz h GLU 17 N 0.00 0.00 0.00 3.49 4.11 -1.95 0.32 114.58 120.55 1bqz h GLU 17 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1bqz h GLU 17 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bqz h GLU 17 CO 0.00 0.00 -0.96 0.07 0.07 0.00 0.00 179.01 178.19 1bqz h ARG 18 N 0.00 0.00 0.00 1.06 0.11 -1.97 -1.86 114.38 111.72 1bqz h ARG 18 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1bqz h ARG 18 Cb 1.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.65 1bqz h ARG 18 CO -0.00 0.16 -1.68 -0.85 0.10 0.00 0.00 179.97 177.70 1bqz n GLU 19 N -2.87 0.56 -0.08 0.08 0.28 0.81 -3.33 120.64 116.09 1bqz n GLU 19 Ca -0.03 -0.12 -0.09 0.00 -0.16 0.00 0.00 57.16 56.77 1bqz n GLU 19 Cb 0.67 -1.57 -0.05 0.00 1.43 0.00 0.00 31.44 31.92 1bqz n GLU 19 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1bqz h ILE 20 N 0.00 0.39 -0.46 3.84 6.09 -0.75 -0.05 117.51 126.56 1bqz h ILE 20 Ca 0.00 -1.42 0.13 0.00 -1.37 0.00 0.00 64.86 62.20 1bqz h ILE 20 Cb 0.93 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1bqz h ILE 20 CO 0.00 0.13 0.44 0.08 -3.07 0.00 0.00 178.15 175.73 1bqz h ARG 21 N -1.00 0.00 0.04 2.19 -0.00 -1.54 0.10 114.38 114.18 1bqz h ARG 21 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.81 1bqz h ARG 21 Cb 0.67 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.65 1bqz h ARG 21 CO -0.06 0.00 -0.35 -0.22 -0.00 0.00 0.00 179.97 179.35 1bqz h LYS 22 N 0.00 0.16 -0.80 0.08 1.63 -1.62 -2.05 116.57 113.98 1bqz h LYS 22 Ca 0.22 -0.23 0.13 0.00 -0.85 0.00 0.00 60.65 59.92 1bqz h LYS 22 Cb 1.09 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.71 1bqz h LYS 22 CO -0.00 1.04 0.40 0.00 -3.45 0.00 0.00 179.45 177.44 1bqz h ALA 23 N 0.13 1.17 -0.05 5.00 0.00 0.10 0.43 119.26 126.03 1bqz h ALA 23 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1bqz h ALA 23 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bqz h ALA 23 CO 0.07 -0.09 -0.09 -0.92 0.00 0.00 0.00 179.25 178.22 1bqz h TYR 24 N 0.60 0.19 -0.69 0.00 3.20 -1.53 -2.93 116.97 115.82 1bqz h TYR 24 Ca 0.42 -0.07 0.15 0.00 3.14 0.00 0.00 58.73 62.38 1bqz h TYR 24 Cb 0.56 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.68 1bqz h TYR 24 CO -0.11 0.66 -0.02 0.87 -1.64 0.00 0.00 178.16 177.93 1bqz h LYS 25 N -0.33 0.09 0.15 1.82 1.57 -0.42 2.89 116.57 122.34 1bqz h LYS 25 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bqz h LYS 25 Cb 0.65 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1bqz h LYS 25 CO 0.02 0.06 -0.11 0.00 -0.57 0.00 0.00 179.45 178.85 1bqz h ARG 26 N 0.10 -0.26 0.05 3.15 2.47 -0.14 2.05 114.38 121.79 1bqz h ARG 26 Ca 0.37 0.02 -0.23 0.00 -1.26 0.00 0.00 59.98 58.87 1bqz h ARG 26 Cb 0.62 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1bqz h ARG 26 CO -0.62 -0.17 -1.07 1.37 0.56 0.00 0.00 179.97 180.04 1bqz h LEU 27 N -0.27 0.22 -0.04 3.04 8.10 -1.14 -2.96 115.31 122.26 1bqz h LEU 27 Ca -0.00 -0.22 -0.12 0.00 0.11 0.00 0.00 57.88 57.64 1bqz h LEU 27 Cb 0.24 -0.07 0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1bqz h LEU 27 CO -0.01 1.14 -0.46 0.00 -4.11 0.00 0.00 178.44 175.00 1bqz h ALA 28 N 0.83 0.11 0.00 0.17 0.00 0.53 0.65 119.26 121.55 1bqz h ALA 28 Ca -0.07 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1bqz h ALA 28 Cb 1.79 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1bqz h ALA 28 CO 0.16 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.68 1bqz h MET 29 N -0.13 0.00 0.00 0.00 -0.00 0.32 1.13 114.93 116.25 1bqz h MET 29 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.63 1bqz h MET 29 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.74 1bqz h MET 29 CO 0.09 0.00 -0.88 0.87 -0.00 0.00 0.00 176.91 176.99 1bqz h LYS 30 N 0.00 0.00 -0.53 -0.10 1.57 -1.31 -3.29 116.57 112.91 1bqz h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bqz h LYS 30 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1bqz h LYS 30 CO 0.00 0.06 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 1bqz n TYR 31 N -2.80 0.70 0.00 -1.35 4.02 0.22 -4.75 117.16 113.21 1bqz n TYR 31 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 1bqz n TYR 31 Cb 0.60 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 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 1.35 0.00 -0.43 -0.72 1.44 0.34 -3.71 115.22 113.49 1bqz n HIS 32 Ca 0.20 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.83 1bqz n HIS 32 Cb 0.57 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.62 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 0.96 -0.09 -1.40 -0.04 -1.26 -3.30 135.00 129.88 1bqz n PRO 33 Ca 0.00 -0.58 -0.14 0.00 -0.04 0.00 0.00 63.50 62.73 1bqz n PRO 33 Cb 0.00 -1.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 1bqz n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bqz n ASP 34 N 3.18 2.18 0.00 3.54 2.03 -1.26 -4.87 116.55 121.35 1bqz n ASP 34 Ca 0.21 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1bqz n ASP 34 Cb 0.30 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1bqz n ARG 35 N -3.28 1.51 0.06 -0.67 -4.01 -1.21 -4.81 116.66 104.25 1bqz n ARG 35 Ca -0.32 0.00 0.18 0.00 -1.04 0.00 0.00 57.85 56.68 1bqz n ARG 35 Cb 0.79 -0.54 0.49 0.00 -3.04 0.00 0.00 32.46 30.16 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 0.24 2.89 2.35 -1.63 1.23 115.58 120.65 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 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 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 -3.16 0.15 -0.82 0.81 6.02 -1.26 -1.73 117.38 117.39 1bqz n GLN 37 Ca 0.11 0.57 0.03 0.00 -0.01 0.00 0.00 57.00 57.70 1bqz n GLN 37 Cb 1.01 -1.92 0.05 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.88 1.82 3.26 1.08 0.00 0.42 -5.07 105.19 105.81 1bqz n GLY 38 Ca -0.00 -0.62 -0.60 0.00 0.00 0.00 0.00 46.02 44.80 1bqz n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bqz n ASP 39 N -0.14 0.88 -4.45 1.61 5.68 -0.70 -4.82 116.55 114.61 1bqz n ASP 39 Ca 0.07 0.84 -0.43 0.00 -0.50 0.00 0.00 54.79 54.76 1bqz n ASP 39 Cb 0.86 -0.84 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1bqz n ASP 39 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1bqz s LYS 40 N 4.51 3.31 0.00 0.11 2.20 -1.26 -4.61 119.74 124.00 1bqz s LYS 40 Ca 1.07 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1bqz s LYS 40 Cb -1.41 -4.54 0.00 0.00 -1.51 0.00 0.00 37.83 30.37 1bqz s LYS 40 CO 0.68 -1.81 0.00 -0.85 -0.36 0.00 0.00 175.35 173.02 1bqz n GLU 41 N 7.27 0.00 0.24 4.03 0.28 -1.26 -4.21 120.64 126.99 1bqz n GLU 41 Ca 0.08 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.19 1bqz n GLU 41 Cb 0.47 -0.18 0.60 0.00 1.43 0.00 0.00 31.44 33.76 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 1.22 -0.64 -1.84 0.00 -1.98 -3.00 119.26 113.02 1bqz h ALA 42 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1bqz h ALA 42 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1bqz h ALA 42 CO 0.00 -0.22 -0.38 -1.91 0.00 0.00 0.00 179.25 176.74 1bqz n GLU 43 N -2.44 -0.28 -0.32 0.00 2.13 -1.26 0.13 120.64 118.60 1bqz n GLU 43 Ca -0.01 1.05 0.16 0.00 0.66 0.00 0.00 57.16 59.01 1bqz n GLU 43 Cb 0.30 -1.54 0.34 0.00 0.27 0.00 0.00 31.44 30.81 1bqz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bqz h ALA 44 N 0.24 1.56 0.00 4.31 0.00 -1.92 2.25 119.26 125.70 1bqz h ALA 44 Ca 0.10 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1bqz h ALA 44 Cb 0.26 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bqz h ALA 44 CO -0.60 -0.37 0.15 -0.22 0.00 0.00 0.00 179.25 178.21 1bqz h LYS 45 N 0.41 0.00 0.04 0.00 3.64 0.83 1.65 116.57 123.13 1bqz h LYS 45 Ca 0.60 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1bqz h LYS 45 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1bqz h LYS 45 CO -0.54 0.00 -0.02 0.74 -2.27 0.00 0.00 179.45 177.36 1bqz h PHE 46 N 0.00 -0.05 0.00 1.91 0.04 0.39 -3.19 116.94 116.04 1bqz h PHE 46 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bqz h PHE 46 Cb 0.29 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1bqz h PHE 46 CO 0.00 0.61 -0.72 1.57 -0.60 0.00 0.00 178.31 179.17 1bqz h LYS 47 N -0.80 0.00 -0.91 1.51 5.09 -1.32 -3.20 116.57 116.94 1bqz h LYS 47 Ca -0.01 0.00 0.21 0.00 0.09 0.00 0.00 60.65 60.94 1bqz h LYS 47 Cb 0.68 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.94 1bqz h LYS 47 CO 0.01 0.00 0.60 0.93 -2.09 0.00 0.00 179.45 178.90 1bqz h GLU 48 N 0.00 0.38 -0.43 0.07 4.39 0.23 0.98 114.58 120.20 1bqz h GLU 48 Ca 0.00 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1bqz h GLU 48 Cb 0.87 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1bqz h GLU 48 CO 0.00 0.25 -0.00 0.82 -1.16 0.00 0.00 179.01 178.92 1bqz h ILE 49 N 0.39 1.26 -0.21 3.13 2.04 -1.54 -1.99 117.51 120.59 1bqz h ILE 49 Ca 0.48 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1bqz h ILE 49 Cb 1.21 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1bqz h ILE 49 CO -0.18 0.36 0.23 0.50 0.00 0.00 0.00 178.15 179.06 1bqz h LYS 50 N 0.61 0.00 -0.48 2.37 3.64 0.85 0.67 116.57 124.23 1bqz h LYS 50 Ca 0.12 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1bqz h LYS 50 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1bqz h LYS 50 CO 0.02 0.00 -0.10 1.49 -2.27 0.00 0.00 179.45 178.59 1bqz h GLU 51 N 0.00 0.88 -1.51 1.90 4.81 -0.53 -2.65 114.58 117.49 1bqz h GLU 51 Ca 0.10 -0.31 0.44 0.00 -0.13 0.00 0.00 59.36 59.46 1bqz h GLU 51 Cb 0.56 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1bqz h GLU 51 CO -0.00 0.95 1.27 0.00 -0.73 0.00 0.00 179.01 180.49 1bqz h ALA 52 N 1.08 3.42 0.00 2.92 0.00 -0.87 2.09 119.26 127.90 1bqz h ALA 52 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1bqz h ALA 52 Cb 0.62 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1bqz h ALA 52 CO 0.04 -2.05 -0.04 1.88 0.00 0.00 0.00 179.25 179.08 1bqz h TYR 53 N 0.00 0.00 0.00 0.00 0.05 -1.62 0.78 116.97 116.18 1bqz h TYR 53 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.50 1bqz h TYR 53 Cb 3.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.99 1bqz h TYR 53 CO 0.00 0.04 0.00 0.39 -1.05 0.00 0.00 178.16 177.54 1bqz n GLU 54 N -4.48 0.14 -0.06 4.88 1.02 0.71 -0.78 120.64 122.07 1bqz n GLU 54 Ca -0.03 0.53 -0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1bqz n GLU 54 Cb 0.13 -1.87 -0.04 0.00 -0.02 0.00 0.00 31.44 29.64 1bqz n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1bqz n VAL 55 N -2.15 1.20 0.80 2.62 0.31 0.24 -4.72 118.33 116.64 1bqz n VAL 55 Ca 0.00 0.03 0.12 0.00 -0.01 0.00 0.00 64.34 64.48 1bqz n VAL 55 Cb 0.11 -1.91 0.24 0.00 -0.91 0.00 0.00 33.84 31.36 1bqz n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bqz n LEU 56 N -3.95 0.55 -2.25 7.52 -0.00 0.35 0.06 117.00 119.28 1bqz n LEU 56 Ca -0.20 0.14 -0.29 0.00 -0.00 0.00 0.00 56.01 55.66 1bqz n LEU 56 Cb 0.51 -0.24 0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1bqz n LEU 56 CO 0.08 0.04 1.36 0.35 -0.00 0.00 0.00 177.39 179.22 1bqz n THR 57 N -1.78 3.38 -3.62 1.47 -2.24 0.04 -4.45 114.28 107.07 1bqz n THR 57 Ca 0.05 -2.39 -0.16 0.00 -2.27 0.00 0.00 64.05 59.28 1bqz n THR 57 Cb 0.38 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.48 0.71 0.30 3.42 1.01 -1.25 -4.93 116.67 114.46 1bqz s ASP 58 Ca 0.59 0.32 0.03 0.00 0.71 0.00 0.00 52.55 54.20 1bqz s ASP 58 Cb 0.48 0.49 0.75 0.00 1.01 0.00 0.00 42.92 45.65 1bqz s ASP 58 CO 0.04 -0.26 1.62 0.77 0.21 0.00 0.00 175.17 177.55 1bqz h SER 59 N 8.32 -0.14 0.45 0.27 4.64 -1.89 0.64 113.55 125.84 1bqz h SER 59 Ca -0.14 0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 1bqz h SER 59 Cb 1.12 0.34 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 1bqz h SER 59 CO 0.17 -0.24 -0.60 0.06 -0.87 0.00 0.00 176.83 175.35 1bqz h GLN 60 N 0.12 0.15 0.06 4.77 3.07 -1.96 -1.81 115.11 119.51 1bqz h GLN 60 Ca 0.58 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 59.22 1bqz h GLN 60 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1bqz h GLN 60 CO -0.74 0.70 -0.03 0.87 0.09 0.00 0.00 178.83 179.72 1bqz h LYS 61 N 0.11 -0.07 0.00 0.06 1.79 -0.12 -2.20 116.57 116.13 1bqz h LYS 61 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1bqz h LYS 61 Cb 1.08 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1bqz h LYS 61 CO 0.09 0.33 0.00 0.07 -1.08 0.00 0.00 179.45 178.86 1bqz h ARG 62 N -0.98 0.00 0.00 3.15 0.11 0.36 0.33 114.38 117.36 1bqz h ARG 62 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1bqz h ARG 62 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1bqz h ARG 62 CO 0.01 0.00 -0.70 0.00 0.10 0.00 0.00 179.97 179.39 1bqz h ALA 63 N 2.01 0.65 0.07 0.08 0.00 -1.40 -2.69 119.26 117.98 1bqz h ALA 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1bqz h ALA 63 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bqz h ALA 63 CO 0.00 0.00 -1.56 0.00 0.00 0.00 0.00 179.25 177.69 1bqz h ALA 64 N 2.02 0.31 -0.16 0.00 0.00 -0.57 -3.39 119.26 117.47 1bqz h ALA 64 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 54.91 53.47 1bqz h ALA 64 Cb 0.99 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1bqz h ALA 64 CO 0.00 0.95 -0.67 1.88 0.00 0.00 0.00 179.25 181.41 1bqz h TYR 65 N -0.45 0.82 -1.50 0.00 -1.99 -1.12 1.94 116.97 114.67 1bqz h TYR 65 Ca -0.36 -0.33 0.44 0.00 2.00 0.00 0.00 58.73 60.47 1bqz h TYR 65 Cb 1.68 -0.14 -0.07 0.00 2.00 0.00 0.00 36.73 40.19 1bqz h TYR 65 CO 0.10 1.12 1.06 0.38 -0.00 0.00 0.00 178.16 180.82 1bqz h ASP 66 N 0.45 0.06 0.00 3.88 2.03 -1.58 -1.03 116.42 120.22 1bqz h ASP 66 Ca -0.02 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bqz h ASP 66 Cb 1.26 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1bqz h ASP 66 CO 0.13 -0.02 -0.36 0.00 -1.03 0.00 0.00 179.24 177.97 1bqz n GLN 67 N -4.18 0.16 -2.90 4.15 1.13 -1.15 -4.81 117.38 109.79 1bqz n GLN 67 Ca 0.34 -1.03 -0.21 0.00 -1.94 0.00 0.00 57.00 54.16 1bqz n GLN 67 Cb 1.55 -0.59 0.01 0.00 0.11 0.00 0.00 30.24 31.32 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 -0.12 -1.69 0.00 1.08 4.02 0.35 -4.17 117.16 116.64 1bqz n TYR 68 Ca 0.01 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.25 1bqz n TYR 68 Cb 0.65 -3.87 0.00 0.00 -0.02 0.00 0.00 39.34 36.09 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 -1.27 -0.59 0.42 2.72 0.00 0.57 -4.37 105.19 102.67 1bqz n GLY 69 Ca -0.12 -1.35 0.19 0.00 0.00 0.00 0.00 46.02 44.73 1bqz n GLY 69 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1bqz h HIS 70 N 0.00 0.00 -0.90 1.61 2.07 -1.82 0.20 115.15 116.31 1bqz h HIS 70 Ca 0.00 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.76 1bqz h HIS 70 Cb 0.00 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 29.84 1bqz h HIS 70 CO 0.00 0.00 0.33 0.00 -3.07 0.00 0.00 177.93 175.19 1bqz h ALA 71 N 0.92 1.41 -0.00 6.11 0.00 -1.80 2.22 119.26 128.12 1bqz h ALA 71 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1bqz h ALA 71 Cb 1.76 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1bqz h ALA 71 CO -0.00 -0.44 0.05 0.00 0.00 0.00 0.00 179.25 178.86 1bqz h ALA 72 N 1.77 1.07 0.00 0.00 0.00 -1.11 -2.03 119.26 118.96 1bqz h ALA 72 Ca 0.58 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.39 1bqz h ALA 72 Cb 1.17 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1bqz h ALA 72 CO -0.61 -0.05 -0.76 1.19 0.00 0.00 0.00 179.25 179.02 1bqz n PHE 73 N -3.08 0.00 -4.53 0.00 3.72 0.65 -5.12 117.46 109.10 1bqz n PHE 73 Ca -0.03 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 1bqz n PHE 73 Cb 0.12 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 1bqz n PHE 73 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bqz n GLU 74 N -0.10 0.00 0.00 -1.08 -0.58 0.39 -4.28 120.64 114.99 1bqz n GLU 74 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1bqz n GLU 74 Cb 0.94 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.81 1bqz n GLU 74 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bqz n GLN 75 N 0.00 0.00 0.00 3.49 1.13 -1.26 -4.02 117.38 116.71 1bqz n GLN 75 Ca 0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1bqz n GLN 75 Cb 0.00 -0.73 0.00 0.00 0.11 0.00 0.00 30.24 29.62 1bqz n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bqz n GLY 76 N -0.24 0.59 0.00 1.08 0.00 -1.26 -4.89 105.19 100.47 1bqz n GLY 76 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93