#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 3.45 -3.74 0.00 2.85 -1.26 -5.15 118.16 114.32 1bqz n LYS 2 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1bqz n LYS 2 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1bqz n LYS 2 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1bqz s GLN 3 N 4.39 0.47 -0.25 -1.58 0.74 -1.26 -5.13 119.66 117.04 1bqz s GLN 3 Ca 0.00 0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.93 1bqz s GLN 3 Cb 0.00 0.23 0.05 0.00 1.10 0.00 0.00 33.01 34.39 1bqz s GLN 3 CO 0.00 -0.06 -0.10 0.16 -0.55 0.00 0.00 175.29 174.74 1bqz s ASP 4 N 0.12 4.33 0.12 6.67 1.47 -1.26 -4.99 116.67 123.12 1bqz s ASP 4 Ca -0.01 -1.22 -0.20 0.00 1.18 0.00 0.00 52.55 52.31 1bqz s ASP 4 Cb -0.03 -1.58 -0.08 0.00 -0.34 0.00 0.00 42.92 40.89 1bqz s ASP 4 CO 0.01 -0.17 1.77 1.88 0.68 0.00 0.00 175.17 179.34 1bqz h TYR 5 N 7.86 0.22 -0.96 2.11 0.05 -1.97 1.60 116.97 125.87 1bqz h TYR 5 Ca -0.25 0.00 0.28 0.00 0.05 0.00 0.00 58.73 58.82 1bqz h TYR 5 Cb 1.06 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.69 1bqz h TYR 5 CO 0.61 0.14 0.80 1.88 -1.05 0.00 0.00 178.16 180.54 1bqz h TYR 6 N 0.23 0.00 0.02 4.88 0.05 -1.88 1.66 116.97 121.92 1bqz h TYR 6 Ca 0.06 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.54 1bqz h TYR 6 Cb -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 1bqz h TYR 6 CO -0.06 0.00 -1.78 -1.91 -1.05 0.00 0.00 178.16 173.36 1bqz n GLU 7 N -3.92 0.65 -0.27 4.88 0.00 0.81 0.80 120.64 123.58 1bqz n GLU 7 Ca 0.20 0.28 0.04 0.00 0.00 0.00 0.00 57.16 57.69 1bqz n GLU 7 Cb 1.13 -1.77 0.18 0.00 0.00 0.00 0.00 31.44 30.97 1bqz n GLU 7 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1bqz h ILE 8 N 0.01 0.80 0.00 6.31 2.04 1.38 0.22 117.51 128.27 1bqz h ILE 8 Ca -0.31 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1bqz h ILE 8 Cb 2.03 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1bqz h ILE 8 CO 0.08 0.12 -0.18 -0.07 0.00 0.00 0.00 178.15 178.09 1bqz h LEU 9 N 0.63 0.00 0.00 1.44 4.07 -1.49 -3.46 115.31 116.50 1bqz h LEU 9 Ca 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1bqz h LEU 9 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1bqz h LEU 9 CO -0.31 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.68 1bqz n GLY 10 N 1.28 1.19 3.92 0.83 0.00 0.78 -3.66 105.19 109.52 1bqz n GLY 10 Ca 0.05 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 1.93 0.32 1.61 1.01 0.24 -4.96 120.40 118.55 1bqz s VAL 11 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.47 1bqz s VAL 11 Cb 0.00 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 1bqz s VAL 11 CO 0.00 0.00 0.70 -0.55 0.00 0.00 0.00 175.10 175.25 1bqz s SER 12 N -4.32 6.69 0.66 3.32 0.15 -1.25 -3.62 113.70 115.33 1bqz s SER 12 Ca 0.42 1.16 0.29 0.00 0.70 0.00 0.00 55.95 58.52 1bqz s SER 12 Cb -0.03 -2.33 1.60 0.00 -1.71 0.00 0.00 66.02 63.55 1bqz s SER 12 CO 0.26 -0.21 1.90 0.07 1.20 0.00 0.00 173.24 176.45 1bqz h LYS 13 N 2.12 0.00 -0.42 5.44 -0.00 -1.98 2.22 116.57 123.95 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 0.66 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.36 1bqz n THR 14 N -2.87 1.94 0.00 0.07 -2.24 -1.26 -4.84 114.28 105.07 1bqz n THR 14 Ca -0.02 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1bqz n THR 14 Cb 0.39 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.27 0.00 0.00 6.98 0.00 0.75 -5.06 120.51 123.45 1bqz n ALA 15 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1bqz n ALA 15 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 0.28 0.00 1.02 -1.26 -4.97 120.64 115.71 1bqz n GLU 16 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1bqz n GLU 16 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.97 0.80 114.58 121.01 1bqz h GLU 17 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1bqz h GLU 17 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1bqz h GLU 17 CO 0.00 0.00 -1.33 0.07 0.07 0.00 0.00 179.01 177.82 1bqz h ARG 18 N 0.00 0.00 0.00 1.06 0.11 -1.98 -2.08 114.38 111.49 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 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1bqz h ARG 18 CO 0.00 0.52 -1.63 -0.85 0.10 0.00 0.00 179.97 178.10 1bqz n GLU 19 N -3.07 0.46 -0.05 0.08 0.28 0.81 -3.51 120.64 115.64 1bqz n GLU 19 Ca -0.09 -0.12 -0.03 0.00 -0.16 0.00 0.00 57.16 56.76 1bqz n GLU 19 Cb 0.92 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 32.23 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 0.36 -1.13 3.84 1.08 0.32 0.98 117.51 122.96 1bqz h ILE 20 Ca 0.00 -1.26 0.33 0.00 -0.39 0.00 0.00 64.86 63.54 1bqz h ILE 20 Cb 0.85 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1bqz h ILE 20 CO 0.00 0.12 0.82 0.08 -0.69 0.00 0.00 178.15 178.48 1bqz h ARG 21 N -1.00 0.00 0.03 2.37 -0.00 -1.57 0.40 114.38 114.62 1bqz h ARG 21 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1bqz h ARG 21 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 1bqz h ARG 21 CO 0.00 0.00 -0.01 -0.22 -0.00 0.00 0.00 179.97 179.74 1bqz h LYS 22 N 0.00 -0.04 -0.84 0.08 3.11 -1.58 -1.22 116.57 116.08 1bqz h LYS 22 Ca 0.54 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 58.57 1bqz h LYS 22 Cb 2.18 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 33.31 1bqz h LYS 22 CO -0.01 0.66 0.35 0.00 -2.81 0.00 0.00 179.45 177.65 1bqz h ALA 23 N -0.07 1.28 -0.23 5.00 0.00 0.53 1.03 119.26 126.80 1bqz h ALA 23 Ca -0.00 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1bqz h ALA 23 Cb 0.72 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1bqz h ALA 23 CO 0.01 -0.28 -0.46 -0.92 0.00 0.00 0.00 179.25 177.59 1bqz h TYR 24 N 0.42 0.92 -0.37 0.00 3.20 -1.19 -3.12 116.97 116.83 1bqz h TYR 24 Ca 0.50 -0.33 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1bqz h TYR 24 Cb 0.88 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1bqz h TYR 24 CO -0.16 1.12 0.03 -0.22 -1.64 0.00 0.00 178.16 177.30 1bqz h LYS 25 N 0.45 0.14 -0.31 1.82 1.63 0.11 1.98 116.57 122.38 1bqz h LYS 25 Ca 0.01 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1bqz h LYS 25 Cb 1.07 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.59 1bqz h LYS 25 CO 0.10 0.09 -0.38 0.00 -3.45 0.00 0.00 179.45 175.81 1bqz h ARG 26 N 0.14 -0.33 0.10 1.90 2.47 0.89 2.50 114.38 122.05 1bqz h ARG 26 Ca 0.18 0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.66 1bqz h ARG 26 Cb 0.23 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1bqz h ARG 26 CO -0.27 -0.22 -1.19 1.37 0.56 0.00 0.00 179.97 180.22 1bqz h LEU 27 N -0.35 0.35 -0.43 3.04 8.10 -1.49 -3.00 115.31 121.54 1bqz h LEU 27 Ca 0.13 -0.37 -0.16 0.00 0.11 0.00 0.00 57.88 57.59 1bqz h LEU 27 Cb 0.58 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.68 1bqz h LEU 27 CO -0.50 1.29 -0.43 0.00 -4.11 0.00 0.00 178.44 174.69 1bqz h ALA 28 N 0.66 0.60 0.00 0.17 0.00 0.38 1.69 119.26 122.76 1bqz h ALA 28 Ca -0.11 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1bqz h ALA 28 Cb 1.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1bqz h ALA 28 CO 0.19 0.68 -0.31 0.00 0.00 0.00 0.00 179.25 179.81 1bqz h MET 29 N 0.68 0.00 0.00 0.00 -0.00 0.42 0.17 114.93 116.21 1bqz h MET 29 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 1bqz h MET 29 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 1bqz h MET 29 CO 0.10 0.31 -0.82 0.87 -0.00 0.00 0.00 176.91 177.36 1bqz h LYS 30 N 0.00 0.00 -0.42 -0.10 1.57 -1.25 -3.33 116.57 113.04 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1bqz h LYS 30 CO 0.04 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1bqz n TYR 31 N -2.31 0.56 0.00 -1.35 4.02 0.57 -4.75 117.16 113.90 1bqz n TYR 31 Ca 0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1bqz n TYR 31 Cb 0.48 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 0.98 0.00 -0.42 -0.72 1.44 0.51 -3.80 115.22 113.21 1bqz n HIS 32 Ca 0.16 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.79 1bqz n HIS 32 Cb 0.49 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.56 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 0.99 -0.06 -1.40 -0.04 -1.26 -3.26 135.00 129.96 1bqz n PRO 33 Ca 0.00 -0.65 -0.08 0.00 -0.04 0.00 0.00 63.50 62.73 1bqz n PRO 33 Cb 0.00 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.38 3.06 0.00 3.54 5.68 -1.26 -4.88 116.55 126.07 1bqz n ASP 34 Ca 0.21 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1bqz n ASP 34 Cb 0.26 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 -2.82 0.19 -0.24 0.11 -4.01 -1.20 -4.80 116.66 103.88 1bqz n ARG 35 Ca -0.21 0.00 0.32 0.00 -1.04 0.00 0.00 57.85 56.92 1bqz n ARG 35 Cb 0.73 -0.52 0.61 0.00 -3.04 0.00 0.00 32.46 30.24 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 0.21 2.89 2.35 -1.65 2.08 115.58 121.46 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 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 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 -3.58 0.06 -0.99 0.81 6.02 -1.26 -1.54 117.38 116.90 1bqz n GLN 37 Ca 0.24 0.47 0.05 0.00 -0.01 0.00 0.00 57.00 57.75 1bqz n GLN 37 Cb 1.38 -1.67 0.13 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.91 3.48 3.38 1.08 0.00 0.70 -5.06 105.19 107.86 1bqz n GLY 38 Ca 0.01 -1.14 -0.60 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.46 1.12 -0.00 1.61 5.75 -0.59 -4.80 116.55 119.18 1bqz n ASP 39 Ca 0.14 0.74 -0.08 0.00 -0.01 0.00 0.00 54.79 55.57 1bqz n ASP 39 Cb 0.88 -0.97 -0.14 0.00 -1.03 0.00 0.00 41.12 39.87 1bqz n ASP 39 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1bqz h LYS 40 N 8.82 0.00 0.00 0.11 3.64 -1.91 -3.47 116.57 123.76 1bqz h LYS 40 Ca -0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1bqz h LYS 40 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1bqz h LYS 40 CO 1.06 0.62 0.00 -0.85 -2.27 0.00 0.00 179.45 178.00 1bqz n GLU 41 N -3.12 0.00 0.16 1.90 0.28 -1.26 -4.92 120.64 113.67 1bqz n GLU 41 Ca -0.13 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 56.98 1bqz n GLU 41 Cb 1.03 0.00 0.56 0.00 1.43 0.00 0.00 31.44 34.46 1bqz n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqz n ALA 42 N 0.00 1.09 -0.30 -1.84 0.00 -1.26 -3.08 120.51 115.12 1bqz n ALA 42 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 1bqz n ALA 42 Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.15 1bqz n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bqz n GLU 43 N -2.23 -0.21 0.02 0.00 2.13 -1.26 -0.12 120.64 118.96 1bqz n GLU 43 Ca -0.01 1.17 -0.11 0.00 0.66 0.00 0.00 57.16 58.88 1bqz n GLU 43 Cb 0.05 -1.74 -0.04 0.00 0.27 0.00 0.00 31.44 29.98 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 0.93 -0.35 -0.69 4.31 0.00 -1.97 0.36 119.26 121.85 1bqz h ALA 44 Ca 0.24 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.37 1bqz h ALA 44 Cb 0.43 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1bqz h ALA 44 CO -0.75 -0.78 0.82 -0.22 0.00 0.00 0.00 179.25 178.32 1bqz h LYS 45 N -0.39 0.00 -0.00 0.00 3.64 -0.77 2.47 116.57 121.52 1bqz h LYS 45 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1bqz h LYS 45 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1bqz h LYS 45 CO -0.31 0.00 -0.01 0.74 -2.27 0.00 0.00 179.45 177.60 1bqz h PHE 46 N 0.00 0.01 0.00 1.91 0.04 -0.05 -3.11 116.94 115.75 1bqz h PHE 46 Ca 0.33 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1bqz h PHE 46 Cb 1.97 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.12 1bqz h PHE 46 CO 0.00 0.71 -0.46 0.36 -0.60 0.00 0.00 178.31 178.32 1bqz n LYS 47 N -4.74 0.15 -0.00 1.51 0.00 0.87 -3.36 118.16 112.58 1bqz n LYS 47 Ca -0.09 0.05 0.01 0.00 -0.00 0.00 0.00 58.31 58.28 1bqz n LYS 47 Cb 0.35 -1.60 0.33 0.00 -0.00 0.00 0.00 35.03 34.11 1bqz n LYS 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1bqz h GLU 48 N 0.00 0.53 -0.21 -1.58 4.39 0.40 -1.49 114.58 116.61 1bqz h GLU 48 Ca 0.00 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1bqz h GLU 48 Cb 0.62 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1bqz h GLU 48 CO 0.00 0.50 0.08 0.82 -1.16 0.00 0.00 179.01 179.25 1bqz h ILE 49 N 0.52 0.96 -1.43 3.13 2.04 -1.54 -0.44 117.51 120.75 1bqz h ILE 49 Ca 0.12 -0.07 0.43 0.00 1.00 0.00 0.00 64.86 66.34 1bqz h ILE 49 Cb 0.22 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 1bqz h ILE 49 CO -0.00 0.04 0.99 0.50 0.00 0.00 0.00 178.15 179.67 1bqz h LYS 50 N 0.19 0.07 -0.95 2.37 3.64 -1.42 1.00 116.57 121.48 1bqz h LYS 50 Ca 0.09 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.65 1bqz h LYS 50 Cb 0.05 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1bqz h LYS 50 CO -0.08 0.05 0.61 1.49 -2.27 0.00 0.00 179.45 179.24 1bqz h GLU 51 N 0.08 0.63 -1.18 1.90 4.81 -1.07 -1.05 114.58 118.70 1bqz h GLU 51 Ca 0.76 -0.04 0.41 0.00 -0.13 0.00 0.00 59.36 60.36 1bqz h GLU 51 Cb 2.70 -0.14 -0.12 0.00 0.63 0.00 0.00 28.75 31.81 1bqz h GLU 51 CO -0.18 0.42 0.75 0.00 -0.73 0.00 0.00 179.01 179.26 1bqz n ALA 52 N -2.41 1.17 0.23 2.92 0.00 0.35 0.29 120.51 123.05 1bqz n ALA 52 Ca 0.21 0.76 0.12 0.00 0.00 0.00 0.00 53.44 54.53 1bqz n ALA 52 Cb 0.58 -0.92 0.74 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 0.00 0.00 0.05 -1.37 0.47 116.97 116.12 1bqz h TYR 53 Ca 0.76 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.54 1bqz h TYR 53 Cb 2.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.17 1bqz h TYR 53 CO -0.01 0.00 0.00 0.93 -1.05 0.00 0.00 178.16 178.03 1bqz h GLU 54 N 0.00 0.00 0.00 4.88 5.08 0.40 0.21 114.58 125.15 1bqz h GLU 54 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1bqz h GLU 54 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1bqz h GLU 54 CO -0.00 0.00 -0.42 1.33 -1.00 0.00 0.00 179.01 178.92 1bqz n VAL 55 N -2.57 1.03 -0.24 3.13 0.24 0.15 -2.46 118.33 117.62 1bqz n VAL 55 Ca -0.02 0.26 -0.07 0.00 -2.04 0.00 0.00 64.34 62.48 1bqz n VAL 55 Cb 0.05 -1.83 0.04 0.00 -1.47 0.00 0.00 33.84 30.63 1bqz n VAL 55 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1bqz h LEU 56 N -0.42 0.87 -1.89 1.34 -0.00 -1.19 -2.18 115.31 111.85 1bqz h LEU 56 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1bqz h LEU 56 Cb 0.42 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1bqz h LEU 56 CO 0.00 0.77 0.00 0.35 -0.00 0.00 0.00 178.44 179.56 1bqz n THR 57 N -4.46 0.60 -3.70 0.15 -2.24 0.60 -4.79 114.28 100.45 1bqz n THR 57 Ca 0.05 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.06 1bqz n THR 57 Cb 0.14 0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.17 -0.47 0.00 3.42 1.11 -0.45 -4.88 116.67 114.23 1bqz s ASP 58 Ca 0.36 0.83 0.05 0.00 0.18 0.00 0.00 52.55 53.97 1bqz s ASP 58 Cb 0.19 0.71 0.30 0.00 1.07 0.00 0.00 42.92 45.20 1bqz s ASP 58 CO 0.26 -0.19 0.72 -0.24 1.18 0.00 0.00 175.17 176.90 1bqz n SER 59 N 4.27 0.00 0.02 0.27 2.88 -1.26 -3.59 113.62 116.21 1bqz n SER 59 Ca -0.24 -0.67 -0.02 0.00 -1.33 0.00 0.00 58.87 56.61 1bqz n SER 59 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1bqz n SER 59 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1bqz h GLN 60 N 0.00 -0.09 -0.18 -1.46 4.15 -1.82 -3.08 115.11 112.63 1bqz h GLN 60 Ca 0.00 0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1bqz h GLN 60 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1bqz h GLN 60 CO 0.00 -0.06 -0.67 0.87 -1.93 0.00 0.00 178.83 177.04 1bqz h LYS 61 N -0.53 0.68 0.00 1.69 6.56 -1.57 -0.39 116.57 123.00 1bqz h LYS 61 Ca -0.01 -0.50 -0.03 0.00 -1.06 0.00 0.00 60.65 59.06 1bqz h LYS 61 Cb 0.08 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1bqz h LYS 61 CO 0.02 1.12 -0.13 0.07 -2.06 0.00 0.00 179.45 178.46 1bqz h ARG 62 N 0.49 0.00 0.00 3.15 0.11 -1.64 2.28 114.38 118.78 1bqz h ARG 62 Ca -0.02 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.95 1bqz h ARG 62 Cb 1.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 1bqz h ARG 62 CO 0.13 0.13 -1.12 0.00 0.10 0.00 0.00 179.97 179.21 1bqz h ALA 63 N 1.87 0.63 0.12 0.08 0.00 -1.42 -2.39 119.26 118.15 1bqz h ALA 63 Ca -0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 1bqz h ALA 63 Cb 0.42 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bqz h ALA 63 CO 0.02 0.64 -1.16 0.00 0.00 0.00 0.00 179.25 178.75 1bqz h ALA 64 N 1.58 0.08 0.58 0.00 0.00 0.58 -3.31 119.26 118.77 1bqz h ALA 64 Ca -0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1bqz h ALA 64 Cb 1.40 0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.54 1bqz h ALA 64 CO 0.04 0.64 -0.28 -0.92 0.00 0.00 0.00 179.25 178.73 1bqz h TYR 65 N -0.38 -0.73 -1.45 0.00 5.03 0.36 0.17 116.97 119.98 1bqz h TYR 65 Ca -0.24 -0.02 0.42 0.00 2.58 0.00 0.00 58.73 61.47 1bqz h TYR 65 Cb 1.68 0.24 -0.06 0.00 1.55 0.00 0.00 36.73 40.14 1bqz h TYR 65 CO 0.15 -0.39 1.17 0.38 -1.32 0.00 0.00 178.16 178.15 1bqz h ASP 66 N -0.99 0.00 -0.30 -2.11 3.04 -1.60 1.88 116.42 116.35 1bqz h ASP 66 Ca -0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 1bqz h ASP 66 Cb 0.66 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.95 1bqz h ASP 66 CO 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.33 1bqz n GLN 67 N -3.80 2.56 -2.80 4.15 6.02 -1.02 -4.95 117.38 117.54 1bqz n GLN 67 Ca 0.32 -1.92 -0.14 0.00 -0.01 0.00 0.00 57.00 55.25 1bqz n GLN 67 Cb 1.62 -1.26 -0.01 0.00 1.02 0.00 0.00 30.24 31.62 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bqz n TYR 68 N 0.51 -1.65 0.00 1.08 4.02 0.64 -4.09 117.16 117.67 1bqz n TYR 68 Ca 0.11 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.16 1bqz n TYR 68 Cb 0.40 -2.37 0.00 0.00 -0.02 0.00 0.00 39.34 37.35 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 -0.85 0.96 0.22 2.72 0.00 0.22 -4.52 105.19 103.94 1bqz n GLY 69 Ca -0.06 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.92 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 1.12 0.16 0.07 1.61 1.44 -1.26 -3.56 115.22 114.80 1bqz n HIS 70 Ca 0.00 -0.08 -0.01 0.00 -2.01 0.00 0.00 57.72 55.62 1bqz n HIS 70 Cb 0.00 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 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 3.20 0.61 0.00 1.59 0.00 -1.82 1.55 119.26 124.39 1bqz h ALA 71 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1bqz h ALA 71 Cb 0.16 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bqz h ALA 71 CO 0.00 0.95 -0.26 0.00 0.00 0.00 0.00 179.25 179.93 1bqz n ALA 72 N -2.34 2.69 0.00 0.00 0.00 -1.23 -4.44 120.51 115.19 1bqz n ALA 72 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1bqz n ALA 72 Cb 0.84 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1bqz n ALA 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bqz n PHE 73 N -1.92 0.00 -1.14 0.00 3.72 -1.23 -5.12 117.46 111.78 1bqz n PHE 73 Ca 0.05 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.59 1bqz n PHE 73 Cb 0.40 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.80 -2.53 0.11 -1.08 1.02 0.53 -4.64 120.64 113.24 1bqz n GLU 74 Ca 0.00 1.97 -0.21 0.00 -0.02 0.00 0.00 57.16 58.90 1bqz n GLU 74 Cb 0.03 -3.00 -0.15 0.00 -0.02 0.00 0.00 31.44 28.31 1bqz n GLU 74 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1bqz h GLN 75 N -1.10 0.40 0.00 3.49 1.08 -2.00 -3.49 115.11 113.48 1bqz h GLN 75 Ca -0.11 -0.68 0.00 0.00 -1.45 0.00 0.00 58.65 56.41 1bqz h GLN 75 Cb 1.08 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1bqz h GLN 75 CO 0.05 1.31 0.00 0.41 -0.95 0.00 0.00 178.83 179.65 1bqz n GLY 76 N 1.68 -0.40 0.00 3.46 0.00 -1.26 -5.27 105.19 103.39 1bqz n GLY 76 Ca -0.16 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93