#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 0.94 -3.84 0.00 5.02 -1.26 -5.10 118.16 113.93 1bqz n LYS 2 Ca 0.00 -2.39 -0.27 0.00 -2.02 0.00 0.00 58.31 53.64 1bqz n LYS 2 Cb 0.00 -1.30 -0.17 0.00 -0.02 0.00 0.00 35.03 33.55 1bqz n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1bqz s GLN 3 N -0.49 1.11 -0.33 1.97 -0.21 -1.26 -4.81 119.66 115.65 1bqz s GLN 3 Ca 0.29 -0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.32 1bqz s GLN 3 Cb 0.28 -1.69 0.19 0.00 1.00 0.00 0.00 33.01 32.79 1bqz s GLN 3 CO -0.10 -0.41 0.93 0.34 -2.12 0.00 0.00 175.29 173.94 1bqz s ASP 4 N 1.77 -0.69 0.00 5.90 2.15 -1.26 -4.91 116.67 119.64 1bqz s ASP 4 Ca 0.02 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1bqz s ASP 4 Cb -0.14 1.04 0.00 0.00 -0.30 0.00 0.00 42.92 43.52 1bqz s ASP 4 CO -0.07 -0.09 0.00 0.00 -0.17 0.00 0.00 175.17 174.84 1bqz n TYR 5 N 4.29 0.00 -0.43 -5.34 4.11 -1.26 0.31 117.16 118.84 1bqz n TYR 5 Ca 0.07 0.00 0.40 0.00 -0.00 0.00 0.00 57.90 58.38 1bqz n TYR 5 Cb 0.60 0.00 0.77 0.00 -0.00 0.00 0.00 39.34 40.71 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 0.00 0.04 -3.48 0.05 -1.87 2.46 116.97 114.17 1bqz h TYR 6 Ca 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 1bqz h TYR 6 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1bqz h TYR 6 CO 0.00 0.00 -1.68 0.93 -1.05 0.00 0.00 178.16 176.36 1bqz h GLU 7 N 0.00 0.08 -0.71 4.88 4.39 0.48 0.88 114.58 124.59 1bqz h GLU 7 Ca 0.67 -0.13 0.16 0.00 0.34 0.00 0.00 59.36 60.39 1bqz h GLU 7 Cb 2.70 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 31.28 1bqz h GLU 7 CO -0.01 0.74 0.05 0.82 -1.16 0.00 0.00 179.01 179.45 1bqz h ILE 8 N 0.02 0.43 -0.24 3.13 2.04 0.41 1.57 117.51 124.88 1bqz h ILE 8 Ca -0.28 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1bqz h ILE 8 Cb 2.00 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1bqz h ILE 8 CO 0.10 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1bqz n LEU 9 N -5.28 2.04 -0.92 1.44 4.77 -0.37 -4.85 117.00 113.83 1bqz n LEU 9 Ca 0.12 -1.03 -0.12 0.00 -0.03 0.00 0.00 56.01 54.96 1bqz n LEU 9 Cb 0.44 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1bqz n LEU 9 CO 0.08 0.37 -0.11 0.61 -1.33 0.00 0.00 177.39 177.01 1bqz n GLY 10 N 0.60 1.25 3.98 -0.72 0.00 0.54 -4.25 105.19 106.58 1bqz n GLY 10 Ca 0.09 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.48 0.00 -3.18 1.61 0.31 0.31 -4.93 118.33 109.97 1bqz n VAL 11 Ca -0.12 -2.04 -0.32 0.00 -0.01 0.00 0.00 64.34 61.85 1bqz n VAL 11 Cb 0.48 -0.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.96 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 -4.60 6.69 0.65 4.52 0.01 -1.25 -3.45 113.70 116.28 1bqz s SER 12 Ca 0.55 1.14 0.25 0.00 1.31 0.00 0.00 55.95 59.21 1bqz s SER 12 Cb -0.04 -2.32 1.35 0.00 0.21 0.00 0.00 66.02 65.22 1bqz s SER 12 CO 0.35 -0.20 1.77 0.07 0.41 0.00 0.00 173.24 175.64 1bqz h LYS 13 N 2.17 0.00 -0.35 12.44 -0.00 -1.92 2.13 116.57 131.04 1bqz h LYS 13 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 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 -2.97 1.91 0.00 0.07 -2.24 -1.26 -4.22 114.28 105.57 1bqz n THR 14 Ca 0.01 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1bqz n THR 14 Cb 0.54 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.03 0.00 -3.64 6.98 0.00 0.72 -5.05 120.51 119.54 1bqz n ALA 15 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 1bqz n ALA 15 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.17 1bqz n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bqz s GLU 16 N 0.00 0.32 0.54 0.00 0.41 -1.26 -4.98 118.70 113.73 1bqz s GLU 16 Ca 0.00 0.52 0.26 0.00 -0.41 0.00 0.00 54.97 55.34 1bqz s GLU 16 Cb 0.00 0.09 0.89 0.00 -1.78 0.00 0.00 34.13 33.33 1bqz s GLU 16 CO 0.00 -0.06 1.19 -0.85 -0.49 0.00 0.00 175.26 175.05 1bqz n GLU 17 N 3.23 0.01 0.16 1.61 -0.00 -1.26 0.15 120.64 124.54 1bqz n GLU 17 Ca -0.17 0.93 0.04 0.00 -0.00 0.00 0.00 57.16 57.96 1bqz n GLU 17 Cb 0.57 -2.29 0.20 0.00 -0.00 0.00 0.00 31.44 29.92 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 0.00 0.00 0.00 3.44 0.11 -1.98 0.88 114.38 116.83 1bqz h ARG 18 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1bqz h ARG 18 Cb 2.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.81 1bqz h ARG 18 CO -0.01 0.47 -1.12 -0.85 0.10 0.00 0.00 179.97 178.56 1bqz n GLU 19 N -3.43 0.37 -0.07 0.08 0.28 0.40 -3.51 120.64 114.77 1bqz n GLU 19 Ca 0.00 -0.03 -0.07 0.00 -0.16 0.00 0.00 57.16 56.90 1bqz n GLU 19 Cb 0.61 -1.46 -0.04 0.00 1.43 0.00 0.00 31.44 31.98 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 0.44 -1.05 3.84 5.03 -1.09 -3.00 117.51 121.70 1bqz h ILE 20 Ca 0.00 -1.41 0.27 0.00 -0.12 0.00 0.00 64.86 63.60 1bqz h ILE 20 Cb 0.56 0.92 -0.09 0.00 -3.03 0.00 0.00 36.82 35.17 1bqz h ILE 20 CO 0.00 0.15 0.68 0.08 -0.68 0.00 0.00 178.15 178.38 1bqz h ARG 21 N -1.00 0.36 -0.19 2.37 -0.00 -1.02 0.29 114.38 115.19 1bqz h ARG 21 Ca -0.05 -0.02 0.05 0.00 -0.00 0.00 0.00 59.98 59.95 1bqz h ARG 21 Cb 0.53 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.97 30.37 1bqz h ARG 21 CO -0.03 0.24 -0.11 -0.22 -0.00 0.00 0.00 179.97 179.84 1bqz h LYS 22 N 0.37 -0.10 -0.48 0.08 1.63 -1.60 0.65 116.57 117.12 1bqz h LYS 22 Ca 0.59 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.46 1bqz h LYS 22 Cb 1.54 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.15 1bqz h LYS 22 CO -0.29 -0.07 0.19 0.00 -3.45 0.00 0.00 179.45 175.84 1bqz h ALA 23 N 1.05 0.59 0.00 5.00 0.00 -0.28 2.47 119.26 128.08 1bqz h ALA 23 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bqz h ALA 23 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bqz h ALA 23 CO -0.26 -0.19 0.00 0.98 0.00 0.00 0.00 179.25 179.78 1bqz n TYR 24 N -4.98 0.37 -0.02 0.00 9.36 -0.85 0.09 117.16 121.14 1bqz n TYR 24 Ca 0.04 0.14 -0.22 0.00 3.32 0.00 0.00 57.90 61.19 1bqz n TYR 24 Cb 0.17 -0.73 -0.13 0.00 -0.63 0.00 0.00 39.34 38.02 1bqz n TYR 24 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1bqz n LYS 25 N -1.83 0.72 0.09 2.98 4.01 0.30 -2.98 118.16 121.45 1bqz n LYS 25 Ca 0.03 0.33 -0.22 0.00 -0.51 0.00 0.00 58.31 57.94 1bqz n LYS 25 Cb 0.23 -1.72 -0.15 0.00 -0.51 0.00 0.00 35.03 32.88 1bqz n LYS 25 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bqz h ARG 26 N -0.15 0.40 0.04 1.97 3.08 0.41 -2.08 114.38 118.05 1bqz h ARG 26 Ca -0.41 -0.69 -0.22 0.00 0.07 0.00 0.00 59.98 58.73 1bqz h ARG 26 Cb 1.89 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 32.18 1bqz h ARG 26 CO 0.03 1.31 -1.01 1.37 -1.07 0.00 0.00 179.97 180.60 1bqz h LEU 27 N 0.11 0.20 0.24 3.04 8.10 -0.54 -2.96 115.31 123.50 1bqz h LEU 27 Ca -0.30 -0.19 -0.34 0.00 0.11 0.00 0.00 57.88 57.16 1bqz h LEU 27 Cb 2.10 -0.06 0.03 0.00 -0.44 0.00 0.00 40.66 42.29 1bqz h LEU 27 CO 0.20 1.08 -1.54 0.00 -4.11 0.00 0.00 178.44 174.08 1bqz h ALA 28 N 0.89 -0.09 -0.06 0.17 0.00 -1.64 -0.15 119.26 118.38 1bqz h ALA 28 Ca -0.05 -0.92 0.02 0.00 0.00 0.00 0.00 54.91 53.95 1bqz h ALA 28 Cb 1.71 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1bqz h ALA 28 CO 0.15 0.78 0.07 0.00 0.00 0.00 0.00 179.25 180.24 1bqz h MET 29 N 0.14 0.00 0.00 0.00 -0.00 -1.46 0.98 114.93 114.59 1bqz h MET 29 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.42 1bqz h MET 29 Cb 2.15 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.75 1bqz h MET 29 CO 0.25 0.00 -0.79 0.87 -0.00 0.00 0.00 176.91 177.25 1bqz h LYS 30 N 0.00 0.00 -0.59 -0.10 6.56 -1.38 -3.27 116.57 117.79 1bqz h LYS 30 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1bqz h LYS 30 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1bqz h LYS 30 CO -0.00 0.01 0.00 0.66 -2.06 0.00 0.00 179.45 178.06 1bqz n TYR 31 N -2.78 0.78 0.00 -1.35 4.02 0.22 -4.84 117.16 113.20 1bqz n TYR 31 Ca 0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 1bqz n TYR 31 Cb 0.55 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 1.41 -0.17 -0.33 -0.72 1.44 0.28 -3.62 115.22 113.52 1bqz n HIS 32 Ca 0.21 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.85 1bqz n HIS 32 Cb 0.58 0.00 -0.03 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 0.81 -0.06 -1.40 -0.04 -1.26 -3.18 135.00 129.87 1bqz n PRO 33 Ca 0.00 -0.60 -0.10 0.00 -0.04 0.00 0.00 63.50 62.76 1bqz n PRO 33 Cb 0.00 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.60 2.41 0.00 3.54 2.03 -1.26 -4.85 116.55 122.02 1bqz n ASP 34 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1bqz n ASP 34 Cb 0.18 -0.24 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 -3.06 1.56 -0.64 -0.67 -4.01 -1.19 -4.77 116.66 103.88 1bqz n ARG 35 Ca -0.22 0.00 0.50 0.00 -1.04 0.00 0.00 57.85 57.09 1bqz n ARG 35 Cb 0.70 -0.70 0.78 0.00 -3.04 0.00 0.00 32.46 30.20 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 -0.29 2.89 2.35 -1.61 1.83 115.58 120.75 1bqz h ASN 36 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1bqz h ASN 36 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1bqz h ASN 36 CO 0.00 0.00 0.32 1.56 -1.65 0.00 0.00 177.43 177.66 1bqz h GLN 37 N 0.00 0.00 -0.22 0.81 4.20 -1.86 0.80 115.11 118.84 1bqz h GLN 37 Ca 0.87 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 59.41 1bqz h GLN 37 Cb 3.62 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 31.21 1bqz h GLN 37 CO -0.01 0.00 -0.70 0.41 -0.67 0.00 0.00 178.83 177.87 1bqz n GLY 38 N -1.45 4.67 2.13 3.46 0.00 0.62 -4.88 105.19 109.74 1bqz n GLY 38 Ca 0.04 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 1bqz n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqz n ASP 39 N -0.76 4.23 -1.69 1.61 9.92 0.27 -4.51 116.55 125.63 1bqz n ASP 39 Ca 0.23 -2.27 -0.12 0.00 -0.53 0.00 0.00 54.79 52.09 1bqz n ASP 39 Cb 0.83 -1.12 0.05 0.00 -0.64 0.00 0.00 41.12 40.24 1bqz n ASP 39 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bqz n LYS 40 N 2.68 1.61 0.00 -1.24 4.76 -1.26 -2.86 118.16 121.85 1bqz n LYS 40 Ca 0.35 -1.30 0.00 0.00 -2.87 0.00 0.00 58.31 54.49 1bqz n LYS 40 Cb 0.69 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 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 0.20 0.00 0.13 1.97 0.28 -1.26 -4.89 120.64 117.07 1bqz n GLU 41 Ca 0.25 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.38 1bqz n GLU 41 Cb 0.75 0.00 0.33 0.00 1.43 0.00 0.00 31.44 33.95 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 0.97 -0.91 -1.84 0.00 -1.87 -3.30 119.26 112.30 1bqz h ALA 42 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1bqz h ALA 42 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 1bqz h ALA 42 CO 0.00 0.00 0.15 1.49 0.00 0.00 0.00 179.25 180.89 1bqz h GLU 43 N 0.00 0.11 0.67 0.00 4.57 -1.87 -0.89 114.58 117.17 1bqz h GLU 43 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1bqz h GLU 43 Cb 0.81 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1bqz h GLU 43 CO 0.00 0.07 -0.48 0.00 -1.18 0.00 0.00 179.01 177.42 1bqz h ALA 44 N 1.86 -1.18 -1.27 2.92 0.00 -1.87 0.55 119.26 120.28 1bqz h ALA 44 Ca 0.57 -0.22 0.37 0.00 0.00 0.00 0.00 54.91 55.63 1bqz h ALA 44 Cb 1.19 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 1bqz h ALA 44 CO -0.76 -1.19 0.94 -0.22 0.00 0.00 0.00 179.25 178.03 1bqz h LYS 45 N -1.10 0.00 0.07 0.00 3.64 -1.42 2.32 116.57 120.07 1bqz h LYS 45 Ca -0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1bqz h LYS 45 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1bqz h LYS 45 CO 0.04 0.00 -0.03 0.35 -2.27 0.00 0.00 179.45 177.54 1bqz h PHE 46 N 0.00 -0.09 0.00 1.91 3.57 -0.31 -2.69 116.94 119.34 1bqz h PHE 46 Ca 0.60 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 62.01 1bqz h PHE 46 Cb 2.48 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 41.24 1bqz h PHE 46 CO 0.00 0.23 -0.95 1.57 -2.23 0.00 0.00 178.31 176.93 1bqz h LYS 47 N -0.40 0.00 -0.93 1.11 -0.00 0.26 -3.17 116.57 113.43 1bqz h LYS 47 Ca -0.01 0.00 0.21 0.00 -0.00 0.00 0.00 60.65 60.85 1bqz h LYS 47 Cb 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 32.51 1bqz h LYS 47 CO 0.02 0.22 0.61 0.93 -0.00 0.00 0.00 179.45 181.23 1bqz h GLU 48 N 0.00 0.40 0.01 0.07 4.39 0.37 0.54 114.58 120.36 1bqz h GLU 48 Ca -0.06 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1bqz h GLU 48 Cb 1.31 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1bqz h GLU 48 CO 0.03 0.26 -0.01 0.82 -1.16 0.00 0.00 179.01 178.96 1bqz h ILE 49 N 0.41 1.42 -0.59 3.13 2.04 -1.46 -3.16 117.51 119.30 1bqz h ILE 49 Ca 0.49 -1.33 0.10 0.00 1.00 0.00 0.00 64.86 65.13 1bqz h ILE 49 Cb 1.23 2.31 -0.08 0.00 -0.74 0.00 0.00 36.82 39.54 1bqz h ILE 49 CO -0.19 0.34 0.16 0.50 0.00 0.00 0.00 178.15 178.96 1bqz h LYS 50 N -0.59 0.30 -0.75 2.37 1.63 -0.30 -0.36 116.57 118.87 1bqz h LYS 50 Ca -0.00 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.95 1bqz h LYS 50 Cb 0.57 -0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 32.01 1bqz h LYS 50 CO 0.00 0.20 0.13 1.49 -3.45 0.00 0.00 179.45 177.82 1bqz h GLU 51 N 0.31 0.20 -1.66 1.90 4.57 -0.16 0.42 114.58 120.16 1bqz h GLU 51 Ca 0.31 -0.01 0.51 0.00 -1.18 0.00 0.00 59.36 58.98 1bqz h GLU 51 Cb 0.42 -0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.87 1bqz h GLU 51 CO -0.36 0.13 1.16 0.00 -1.18 0.00 0.00 179.01 178.76 1bqz n ALA 52 N -2.75 1.61 -0.33 2.92 0.00 -0.15 0.18 120.51 121.99 1bqz n ALA 52 Ca 0.15 0.70 -0.02 0.00 0.00 0.00 0.00 53.44 54.27 1bqz n ALA 52 Cb 0.48 -1.05 0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 1.11 0.00 0.00 -1.99 -0.26 0.39 116.97 116.22 1bqz h TYR 53 Ca 0.87 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.63 1bqz h TYR 53 Cb 3.25 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 41.60 1bqz h TYR 53 CO -0.00 0.67 0.12 0.93 -0.00 0.00 0.00 178.16 179.87 1bqz h GLU 54 N 1.17 0.00 0.00 4.88 5.08 0.17 0.71 114.58 126.59 1bqz h GLU 54 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1bqz h GLU 54 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1bqz h GLU 54 CO -0.10 0.00 -0.85 1.55 -1.00 0.00 0.00 179.01 178.61 1bqz n VAL 55 N -2.75 1.47 0.09 3.13 3.14 0.11 -4.43 118.33 119.09 1bqz n VAL 55 Ca -0.02 0.16 -0.02 0.00 -2.96 0.00 0.00 64.34 61.50 1bqz n VAL 55 Cb 0.17 -2.36 -0.05 0.00 -1.06 0.00 0.00 33.84 30.54 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 -1.00 0.00 -2.77 6.55 8.10 -0.67 0.53 115.31 126.05 1bqz h LEU 56 Ca -0.01 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 1bqz h LEU 56 Cb 0.85 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.95 1bqz h LEU 56 CO -0.01 0.72 0.24 0.35 -4.11 0.00 0.00 178.44 175.64 1bqz n THR 57 N -3.23 1.86 -3.51 0.15 -2.24 0.25 -4.52 114.28 103.04 1bqz n THR 57 Ca -0.01 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 60.84 1bqz n THR 57 Cb 0.84 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.11 0.23 0.33 3.42 1.11 -1.23 -4.89 116.67 115.52 1bqz s ASP 58 Ca 0.26 0.47 0.09 0.00 0.18 0.00 0.00 52.55 53.55 1bqz s ASP 58 Cb 0.21 1.04 0.96 0.00 1.07 0.00 0.00 42.92 46.21 1bqz s ASP 58 CO 0.05 -0.27 1.58 0.28 1.18 0.00 0.00 175.17 177.99 1bqz h SER 59 N 8.21 -0.17 -0.62 0.27 0.02 -1.84 -0.64 113.55 118.78 1bqz h SER 59 Ca -0.17 0.27 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1bqz h SER 59 Cb 1.13 0.40 -0.10 0.00 0.14 0.00 0.00 62.40 63.97 1bqz h SER 59 CO 0.20 -0.37 -0.52 -0.61 -1.14 0.00 0.00 176.83 174.39 1bqz h GLN 60 N 0.02 -0.23 0.11 3.45 4.15 -1.94 0.24 115.11 120.91 1bqz h GLN 60 Ca 0.69 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 60.12 1bqz h GLN 60 Cb 1.58 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.33 1bqz h GLN 60 CO -0.86 -0.15 -0.05 0.87 -1.93 0.00 0.00 178.83 176.71 1bqz h LYS 61 N -0.24 -0.14 -0.68 1.69 6.56 -1.22 -2.00 116.57 120.54 1bqz h LYS 61 Ca 0.14 0.01 0.20 0.00 -1.06 0.00 0.00 60.65 59.94 1bqz h LYS 61 Cb 0.55 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 1bqz h LYS 61 CO -0.72 0.04 0.65 0.07 -2.06 0.00 0.00 179.45 177.43 1bqz h ARG 62 N -1.02 0.00 0.00 3.15 0.11 0.77 2.05 114.38 119.44 1bqz h ARG 62 Ca -0.01 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 1bqz h ARG 62 Cb 0.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1bqz h ARG 62 CO 0.02 0.00 -0.96 0.00 0.10 0.00 0.00 179.97 179.14 1bqz h ALA 63 N 1.34 0.63 0.03 0.08 0.00 -0.57 -3.04 119.26 117.72 1bqz h ALA 63 Ca 0.32 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1bqz h ALA 63 Cb 1.62 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1bqz h ALA 63 CO -0.00 0.35 -1.44 0.00 0.00 0.00 0.00 179.25 178.16 1bqz n ALA 64 N -2.24 0.81 0.24 0.00 0.00 0.59 -4.17 120.51 115.73 1bqz n ALA 64 Ca -0.02 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.01 1bqz n ALA 64 Cb 0.66 -0.58 0.56 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.77 0.00 -0.99 0.00 0.05 0.15 -2.60 116.97 112.80 1bqz h TYR 65 Ca -0.37 0.00 0.25 0.00 0.05 0.00 0.00 58.73 58.66 1bqz h TYR 65 Cb 1.47 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.14 1bqz h TYR 65 CO 0.09 0.19 0.66 0.38 -1.05 0.00 0.00 178.16 178.43 1bqz h ASP 66 N 0.00 0.32 -0.09 3.88 2.03 -1.67 0.16 116.42 121.05 1bqz h ASP 66 Ca -0.00 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1bqz h ASP 66 Cb 0.60 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1bqz h ASP 66 CO 0.02 0.09 0.00 0.00 -1.03 0.00 0.00 179.24 178.33 1bqz n GLN 67 N -4.49 1.05 -2.20 4.15 6.02 -1.07 -4.85 117.38 115.98 1bqz n GLN 67 Ca 0.22 -1.36 -0.19 0.00 -0.01 0.00 0.00 57.00 55.67 1bqz n GLN 67 Cb 0.87 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 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 0.61 -0.85 0.00 1.08 4.02 0.55 -4.16 117.16 118.41 1bqz n TYR 68 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1bqz n TYR 68 Cb 0.31 -3.59 0.00 0.00 -0.02 0.00 0.00 39.34 36.04 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 -0.82 1.23 0.06 2.72 0.00 -1.16 -4.64 105.19 102.59 1bqz n GLY 69 Ca -0.22 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.23 0.04 -0.00 1.61 1.44 -1.26 -3.65 115.22 113.17 1bqz n HIS 70 Ca 0.00 -0.02 -0.14 0.00 -2.01 0.00 0.00 57.72 55.55 1bqz n HIS 70 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 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 3.32 0.46 0.00 1.59 0.00 -1.83 -1.91 119.26 120.88 1bqz h ALA 71 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1bqz h ALA 71 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bqz h ALA 71 CO 0.00 0.71 0.29 0.00 0.00 0.00 0.00 179.25 180.25 1bqz h ALA 72 N 0.73 1.28 0.00 0.00 0.00 -1.72 -0.13 119.26 119.42 1bqz h ALA 72 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1bqz h ALA 72 Cb 1.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1bqz h ALA 72 CO 0.14 -0.28 -0.45 1.19 0.00 0.00 0.00 179.25 179.85 1bqz n PHE 73 N -2.77 0.00 -1.33 0.00 3.72 -1.10 -5.12 117.46 110.86 1bqz n PHE 73 Ca -0.02 -0.69 0.14 0.00 -0.05 0.00 0.00 57.45 56.83 1bqz n PHE 73 Cb 0.34 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.56 -2.91 0.35 -1.08 -0.58 -0.06 -4.57 120.64 111.23 1bqz n GLU 74 Ca 0.10 2.38 -0.17 0.00 -0.42 0.00 0.00 57.16 59.05 1bqz n GLU 74 Cb 0.77 -3.43 -0.08 0.00 -0.57 0.00 0.00 31.44 28.12 1bqz n GLU 74 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1bqz h GLN 75 N -1.26 -0.97 0.00 3.49 4.20 -1.89 -3.44 115.11 115.25 1bqz h GLN 75 Ca -0.16 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1bqz h GLN 75 Cb 1.15 0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1bqz h GLN 75 CO 0.06 -0.65 -0.40 0.41 -0.67 0.00 0.00 178.83 177.58 1bqz n GLY 76 N -1.53 -0.05 0.83 3.46 0.00 -1.26 -5.09 105.19 101.55 1bqz n GLY 76 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93