#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 1.84 -4.26 0.00 4.76 -1.26 -5.02 118.16 114.22 1bqz n LYS 2 Ca 0.00 -3.13 -0.14 0.00 -2.87 0.00 0.00 58.31 52.16 1bqz n LYS 2 Cb 0.00 -1.74 -0.10 0.00 -1.84 0.00 0.00 35.03 31.34 1bqz n LYS 2 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1bqz s GLN 3 N -3.17 1.32 0.00 1.97 1.11 -1.26 -5.02 119.66 114.60 1bqz s GLN 3 Ca 0.42 -1.70 0.00 0.00 0.01 0.00 0.00 55.36 54.08 1bqz s GLN 3 Cb 0.38 -0.02 0.00 0.00 -1.01 0.00 0.00 33.01 32.36 1bqz s GLN 3 CO -0.01 -0.34 0.00 -3.47 0.01 0.00 0.00 175.29 171.48 1bqz n ASP 4 N -0.38 0.00 0.00 5.90 2.03 -1.26 -4.93 116.55 117.91 1bqz n ASP 4 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1bqz n ASP 4 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1bqz n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bqz n TYR 5 N 0.00 0.00 -0.43 -0.67 0.18 -1.26 0.32 117.16 115.30 1bqz n TYR 5 Ca 0.00 0.00 0.39 0.00 1.88 0.00 0.00 57.90 60.17 1bqz n TYR 5 Cb 0.00 0.00 0.75 0.00 -0.38 0.00 0.00 39.34 39.71 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1bqz h TYR 6 N 0.00 0.09 0.03 -3.48 0.05 -1.88 2.58 116.97 114.35 1bqz h TYR 6 Ca 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 1bqz h TYR 6 Cb 0.00 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 1bqz h TYR 6 CO 0.00 -0.01 -1.62 1.49 -1.05 0.00 0.00 178.16 176.97 1bqz h GLU 7 N 0.04 0.05 -0.45 4.88 4.22 0.51 0.68 114.58 124.51 1bqz h GLU 7 Ca 0.68 -0.09 0.08 0.00 0.08 0.00 0.00 59.36 60.11 1bqz h GLU 7 Cb 2.62 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 31.84 1bqz h GLU 7 CO -0.06 0.70 0.05 0.82 -2.18 0.00 0.00 179.01 178.35 1bqz h ILE 8 N 0.01 0.72 -0.00 2.32 1.08 0.43 0.33 117.51 122.40 1bqz h ILE 8 Ca -0.26 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1bqz h ILE 8 Cb 1.98 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1bqz h ILE 8 CO 0.10 0.03 0.00 0.18 -0.69 0.00 0.00 178.15 177.77 1bqz n LEU 9 N -5.15 0.28 -0.02 1.44 4.77 0.56 -4.86 117.00 114.03 1bqz n LEU 9 Ca 0.04 -0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1bqz n LEU 9 Cb 0.22 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1bqz n LEU 9 CO 0.20 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1bqz n GLY 10 N 1.03 0.47 4.02 -0.72 0.00 0.11 -4.44 105.19 105.66 1bqz n GLY 10 Ca 0.23 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.94 2.14 0.28 1.61 1.01 0.24 -4.94 120.40 118.80 1bqz s VAL 11 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1bqz s VAL 11 Cb 0.00 -2.33 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 1bqz s VAL 11 CO 0.00 0.00 0.66 -0.44 0.00 0.00 0.00 175.10 175.32 1bqz s SER 12 N -4.70 6.73 0.64 3.32 0.01 -1.25 -3.70 113.70 114.75 1bqz s SER 12 Ca 0.64 1.15 0.28 0.00 1.31 0.00 0.00 55.95 59.32 1bqz s SER 12 Cb -0.05 -2.32 1.51 0.00 0.21 0.00 0.00 66.02 65.37 1bqz s SER 12 CO 0.41 -0.14 1.84 0.07 0.41 0.00 0.00 173.24 175.84 1bqz h LYS 13 N 2.45 0.00 -0.65 12.44 2.10 -1.91 2.35 116.57 133.35 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 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1bqz h LYS 13 CO 0.67 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.37 1bqz n THR 14 N -2.81 1.22 0.00 0.07 -2.24 -1.26 -4.14 114.28 105.12 1bqz n THR 14 Ca -0.02 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1bqz n THR 14 Cb 0.39 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.33 0.00 -3.00 6.98 0.00 0.79 -5.07 120.51 121.54 1bqz n ALA 15 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1bqz n ALA 15 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 -4.99 120.64 115.51 1bqz n GLU 16 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1bqz n GLU 16 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 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 0.00 0.58 0.16 3.49 0.28 -1.26 -3.41 120.64 120.48 1bqz n GLU 17 Ca 0.00 0.12 0.11 0.00 -0.16 0.00 0.00 57.16 57.23 1bqz n GLU 17 Cb 0.00 -1.81 0.08 0.00 1.43 0.00 0.00 31.44 31.14 1bqz n GLU 17 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1bqz h ARG 18 N 0.00 0.00 0.00 3.44 0.11 -1.99 -2.49 114.38 113.45 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 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1bqz h ARG 18 CO 0.00 0.01 -1.56 -0.85 0.10 0.00 0.00 179.97 177.67 1bqz n GLU 19 N -2.90 0.56 -0.07 0.08 0.00 -1.26 -3.44 120.64 113.62 1bqz n GLU 19 Ca 0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 57.16 56.89 1bqz n GLU 19 Cb 0.55 -1.47 -0.13 0.00 0.00 0.00 0.00 31.44 30.39 1bqz n GLU 19 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1bqz h ILE 20 N 0.00 1.46 -0.61 3.84 6.09 -1.62 -1.75 117.51 124.91 1bqz h ILE 20 Ca 0.00 -2.31 0.04 0.00 -1.37 0.00 0.00 64.86 61.22 1bqz h ILE 20 Cb 0.76 2.98 -0.03 0.00 0.47 0.00 0.00 36.82 41.00 1bqz h ILE 20 CO 0.00 0.53 0.40 0.08 -3.07 0.00 0.00 178.15 176.10 1bqz h ARG 21 N -0.92 0.68 0.16 2.19 -0.00 -1.64 -1.78 114.38 113.07 1bqz h ARG 21 Ca -0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 59.80 1bqz h ARG 21 Cb 1.18 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 31.00 1bqz h ARG 21 CO -0.05 0.45 -0.08 -0.22 -0.00 0.00 0.00 179.97 180.07 1bqz h LYS 22 N 0.70 -0.20 -0.44 0.08 3.11 -1.59 -1.38 116.57 116.85 1bqz h LYS 22 Ca 0.25 0.01 0.08 0.00 -2.81 0.00 0.00 60.65 58.18 1bqz h LYS 22 Cb 0.11 0.05 -0.09 0.00 -1.00 0.00 0.00 32.23 31.30 1bqz h LYS 22 CO -0.07 -0.09 -0.41 0.00 -2.81 0.00 0.00 179.45 176.07 1bqz h ALA 23 N 0.56 -0.37 0.00 5.00 0.00 -0.41 2.59 119.26 126.64 1bqz h ALA 23 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bqz h ALA 23 Cb 0.21 0.88 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1bqz h ALA 23 CO 0.04 -0.83 0.00 -0.92 0.00 0.00 0.00 179.25 177.53 1bqz h TYR 24 N -0.30 0.00 0.00 0.00 3.20 -1.44 1.58 116.97 120.02 1bqz h TYR 24 Ca 0.15 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1bqz h TYR 24 Cb 0.57 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1bqz h TYR 24 CO -0.63 0.00 -0.68 0.87 -1.64 0.00 0.00 178.16 176.09 1bqz h LYS 25 N 0.00 0.00 0.05 1.82 6.56 0.42 -3.04 116.57 122.38 1bqz h LYS 25 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 1bqz h LYS 25 Cb 0.15 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 1bqz h LYS 25 CO 0.00 0.52 -1.29 0.00 -2.06 0.00 0.00 179.45 176.62 1bqz h ARG 26 N -1.00 0.11 0.08 3.15 3.08 0.38 -2.14 114.38 118.05 1bqz h ARG 26 Ca -0.14 -0.19 -0.25 0.00 0.07 0.00 0.00 59.98 59.47 1bqz h ARG 26 Cb 0.82 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1bqz h ARG 26 CO -0.08 0.98 -1.14 1.37 -1.07 0.00 0.00 179.97 180.03 1bqz h LEU 27 N 0.03 0.35 0.22 3.04 8.10 0.22 -3.15 115.31 124.12 1bqz h LEU 27 Ca -0.13 -0.35 -0.33 0.00 0.11 0.00 0.00 57.88 57.17 1bqz h LEU 27 Cb 1.91 -0.11 0.03 0.00 -0.44 0.00 0.00 40.66 42.04 1bqz h LEU 27 CO 0.14 1.25 -1.56 0.00 -4.11 0.00 0.00 178.44 174.17 1bqz h ALA 28 N 0.70 -0.03 -0.45 0.17 0.00 -1.47 -1.39 119.26 116.81 1bqz h ALA 28 Ca -0.10 -0.97 0.13 0.00 0.00 0.00 0.00 54.91 53.97 1bqz h ALA 28 Cb 1.86 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 1bqz h ALA 28 CO 0.18 0.81 0.36 0.00 0.00 0.00 0.00 179.25 180.60 1bqz h MET 29 N 0.09 0.00 0.00 0.00 -0.00 -1.50 2.49 114.93 116.01 1bqz h MET 29 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1bqz h MET 29 Cb 2.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.70 1bqz h MET 29 CO 0.22 0.00 -0.82 0.87 -0.00 0.00 0.00 176.91 177.18 1bqz h LYS 30 N 0.00 0.00 -0.19 -0.10 6.56 -1.49 -3.31 116.57 118.03 1bqz h LYS 30 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1bqz h LYS 30 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1bqz h LYS 30 CO -0.00 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.05 1bqz n TYR 31 N -2.47 0.50 0.00 -1.35 4.01 0.30 -4.88 117.16 113.26 1bqz n TYR 31 Ca 0.01 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 57.00 1bqz n TYR 31 Cb 0.51 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1bqz n TYR 31 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1bqz n HIS 32 N -0.44 0.00 -0.41 -0.72 1.44 0.76 -3.77 115.22 112.08 1bqz n HIS 32 Ca 0.15 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.77 1bqz n HIS 32 Cb 0.63 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.71 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 -3.35 135.00 129.88 1bqz n PRO 33 Ca 0.00 -0.70 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 1bqz n PRO 33 Cb 0.00 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.58 2.45 0.00 3.54 5.75 -1.26 -4.88 116.55 125.73 1bqz n ASP 34 Ca 0.21 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1bqz n ASP 34 Cb 0.22 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1bqz n ARG 35 N -3.05 1.13 0.01 0.11 -4.01 -1.21 -4.79 116.66 104.84 1bqz n ARG 35 Ca -0.22 0.00 0.20 0.00 -1.04 0.00 0.00 57.85 56.79 1bqz n ARG 35 Cb 0.71 -0.57 0.48 0.00 -3.04 0.00 0.00 32.46 30.04 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 -1.48 2.89 2.35 -1.64 -0.75 115.58 116.95 1bqz h ASN 36 Ca 0.00 0.00 0.43 0.00 -0.55 0.00 0.00 56.30 56.18 1bqz h ASN 36 Cb 0.13 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1bqz h ASN 36 CO 0.00 0.00 1.29 0.00 -1.65 0.00 0.00 177.43 177.07 1bqz n GLN 37 N -3.20 0.01 -0.97 0.81 6.02 -1.26 -2.50 117.38 116.28 1bqz n GLN 37 Ca 0.13 1.02 -0.31 0.00 -0.01 0.00 0.00 57.00 57.83 1bqz n GLN 37 Cb 1.10 -2.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.79 3.12 0.18 1.08 0.00 -0.29 -4.59 105.19 102.89 1bqz n GLY 38 Ca 0.33 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.38 1bqz n GLY 38 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bqz h ASP 39 N 6.69 0.00 -0.33 1.61 3.04 -1.80 1.18 116.42 126.80 1bqz h ASP 39 Ca 0.50 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 54.16 1bqz h ASP 39 Cb 0.36 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.57 1bqz h ASP 39 CO 1.66 0.00 0.17 1.17 -2.04 0.00 0.00 179.24 180.20 1bqz n LYS 40 N -2.26 1.79 0.00 4.15 4.81 -1.26 -3.47 118.16 121.92 1bqz n LYS 40 Ca -0.01 -1.16 0.00 0.00 -0.87 0.00 0.00 58.31 56.27 1bqz n LYS 40 Cb 0.12 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1bqz n GLU 41 N -0.01 0.00 0.08 1.64 0.28 -0.42 -4.92 120.64 117.28 1bqz n GLU 41 Ca 0.19 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.31 1bqz n GLU 41 Cb 0.84 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.90 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 0.64 -0.13 -1.84 0.00 0.12 -3.35 119.26 114.69 1bqz h ALA 42 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1bqz h ALA 42 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1bqz h ALA 42 CO 0.00 0.00 -0.25 1.49 0.00 0.00 0.00 179.25 180.49 1bqz h GLU 43 N 0.00 -0.30 0.18 0.00 4.81 -1.58 -2.62 114.58 115.08 1bqz h GLU 43 Ca 0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1bqz h GLU 43 Cb 0.78 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1bqz h GLU 43 CO 0.00 -0.20 -0.50 0.00 -0.73 0.00 0.00 179.01 177.58 1bqz h ALA 44 N 0.63 -0.96 -1.60 2.92 0.00 -1.84 0.30 119.26 118.71 1bqz h ALA 44 Ca 0.10 -0.12 0.47 0.00 0.00 0.00 0.00 54.91 55.36 1bqz h ALA 44 Cb 0.46 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1bqz h ALA 44 CO -0.31 -1.11 1.13 -0.22 0.00 0.00 0.00 179.25 178.74 1bqz h LYS 45 N -0.78 0.02 -0.02 0.00 3.64 -1.70 3.22 116.57 120.96 1bqz h LYS 45 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1bqz h LYS 45 Cb 0.77 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1bqz h LYS 45 CO -0.24 0.01 -0.01 0.35 -2.27 0.00 0.00 179.45 177.29 1bqz h PHE 46 N 0.02 0.04 0.00 1.91 3.04 -0.07 -2.60 116.94 119.28 1bqz h PHE 46 Ca 0.78 -0.01 -0.19 0.00 3.98 0.00 0.00 57.97 62.54 1bqz h PHE 46 Cb 3.04 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 41.51 1bqz h PHE 46 CO -0.00 0.43 -1.34 1.57 -2.02 0.00 0.00 178.31 176.95 1bqz h LYS 47 N -0.37 0.00 -0.81 1.11 5.09 0.64 -2.50 116.57 119.72 1bqz h LYS 47 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 60.65 60.91 1bqz h LYS 47 Cb 0.42 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.69 1bqz h LYS 47 CO 0.00 0.40 0.54 0.93 -2.09 0.00 0.00 179.45 179.23 1bqz h GLU 48 N 0.00 0.42 0.03 0.07 4.39 0.55 3.19 114.58 123.23 1bqz h GLU 48 Ca -0.16 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 1bqz h GLU 48 Cb 1.66 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1bqz h GLU 48 CO 0.06 0.28 -0.38 0.82 -1.16 0.00 0.00 179.01 178.63 1bqz h ILE 49 N 0.43 1.59 -0.40 3.13 2.04 -1.49 -2.63 117.51 120.17 1bqz h ILE 49 Ca 0.41 -2.36 -0.10 0.00 1.00 0.00 0.00 64.86 63.81 1bqz h ILE 49 Cb 0.94 3.17 -0.02 0.00 -0.74 0.00 0.00 36.82 40.18 1bqz h ILE 49 CO -0.14 0.59 -0.14 0.50 0.00 0.00 0.00 178.15 178.96 1bqz h LYS 50 N -0.87 0.74 -0.51 2.37 3.64 -0.75 -2.82 116.57 118.38 1bqz h LYS 50 Ca -0.09 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 58.93 1bqz h LYS 50 Cb 1.18 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1bqz h LYS 50 CO -0.00 0.85 -0.12 1.49 -2.27 0.00 0.00 179.45 179.39 1bqz h GLU 51 N 0.66 0.98 -1.44 1.90 4.57 0.57 -2.58 114.58 119.23 1bqz h GLU 51 Ca 0.11 -0.36 0.42 0.00 -1.18 0.00 0.00 59.36 58.35 1bqz h GLU 51 Cb 0.62 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 1bqz h GLU 51 CO 0.04 1.03 1.23 0.00 -1.18 0.00 0.00 179.01 180.14 1bqz h ALA 52 N 0.98 3.35 -0.39 2.92 0.00 -1.19 1.19 119.26 126.13 1bqz h ALA 52 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1bqz h ALA 52 Cb 0.68 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1bqz h ALA 52 CO 0.05 -1.98 0.24 1.88 0.00 0.00 0.00 179.25 179.44 1bqz h TYR 53 N 0.00 0.46 -0.64 0.00 0.05 -1.57 0.55 116.97 115.82 1bqz h TYR 53 Ca 0.69 0.01 0.18 0.00 0.05 0.00 0.00 58.73 59.66 1bqz h TYR 53 Cb 3.15 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 40.71 1bqz h TYR 53 CO 0.00 0.28 0.72 0.93 -1.05 0.00 0.00 178.16 179.04 1bqz h GLU 54 N 0.49 0.00 0.01 4.88 5.08 0.13 2.01 114.58 127.18 1bqz h GLU 54 Ca 0.15 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.13 1bqz h GLU 54 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1bqz h GLU 54 CO -0.05 0.00 -2.08 1.55 -1.00 0.00 0.00 179.01 177.43 1bqz n VAL 55 N -3.53 1.54 0.10 3.13 3.14 0.56 -4.56 118.33 118.71 1bqz n VAL 55 Ca 0.13 -0.30 0.08 0.00 -2.96 0.00 0.00 64.34 61.30 1bqz n VAL 55 Cb 0.95 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 1bqz n VAL 55 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1bqz h LEU 56 N -0.85 0.00 -3.22 6.55 7.12 0.14 0.16 115.31 125.21 1bqz h LEU 56 Ca -0.56 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.18 1bqz h LEU 56 Cb 1.56 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 41.56 1bqz h LEU 56 CO -0.29 0.16 0.35 0.35 -0.13 0.00 0.00 178.44 178.87 1bqz n THR 57 N -2.80 2.42 -3.58 1.05 -2.24 0.67 -4.49 114.28 105.32 1bqz n THR 57 Ca -0.02 -1.28 -0.10 0.00 -2.27 0.00 0.00 64.05 60.38 1bqz n THR 57 Cb 0.62 -1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 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 0.16 0.03 0.30 3.42 1.11 -1.26 -4.91 116.67 115.53 1bqz s ASP 58 Ca 0.27 0.69 -0.01 0.00 0.18 0.00 0.00 52.55 53.69 1bqz s ASP 58 Cb 0.22 1.14 0.67 0.00 1.07 0.00 0.00 42.92 46.03 1bqz s ASP 58 CO 0.02 -0.25 1.58 0.77 1.18 0.00 0.00 175.17 178.47 1bqz h SER 59 N 8.20 -0.50 0.27 0.27 4.64 -1.90 0.69 113.55 125.22 1bqz h SER 59 Ca -0.16 0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1bqz h SER 59 Cb 1.12 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1bqz h SER 59 CO 0.17 -0.32 -0.13 -0.61 -0.87 0.00 0.00 176.83 175.07 1bqz h GLN 60 N 0.03 -0.35 0.49 4.77 4.15 -1.95 0.21 115.11 122.45 1bqz h GLN 60 Ca 0.56 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.98 1bqz h GLN 60 Cb 1.10 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1bqz h GLN 60 CO -0.89 -0.13 -0.23 0.87 -1.93 0.00 0.00 178.83 176.51 1bqz h LYS 61 N -0.51 -0.63 0.00 1.69 1.79 -0.98 0.59 116.57 118.53 1bqz h LYS 61 Ca -0.04 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1bqz h LYS 61 Cb 0.38 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1bqz h LYS 61 CO 0.06 -0.37 -0.05 0.07 -1.08 0.00 0.00 179.45 178.08 1bqz h ARG 62 N -0.75 0.00 0.00 3.15 0.11 0.32 0.97 114.38 118.19 1bqz h ARG 62 Ca -0.07 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.91 1bqz h ARG 62 Cb 0.55 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1bqz h ARG 62 CO 0.11 0.05 -1.07 0.00 0.10 0.00 0.00 179.97 179.16 1bqz h ALA 63 N 1.95 0.63 0.00 0.08 0.00 -0.15 -3.12 119.26 118.65 1bqz h ALA 63 Ca -0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1bqz h ALA 63 Cb 0.27 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1bqz h ALA 63 CO 0.01 0.55 -1.33 0.00 0.00 0.00 0.00 179.25 178.47 1bqz n ALA 64 N -2.29 0.80 0.32 0.00 0.00 0.20 -4.14 120.51 115.41 1bqz n ALA 64 Ca -0.04 -0.52 0.14 0.00 0.00 0.00 0.00 53.44 53.02 1bqz n ALA 64 Cb 0.72 -0.53 0.62 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.98 0.00 0.00 0.00 -1.99 0.75 -2.46 116.97 112.29 1bqz h TYR 65 Ca -0.37 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.35 1bqz h TYR 65 Cb 1.33 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.06 1bqz h TYR 65 CO 0.09 0.00 -0.05 0.38 -0.00 0.00 0.00 178.16 178.58 1bqz h ASP 66 N 0.00 0.00 -0.10 3.88 3.04 -1.70 -1.79 116.42 119.75 1bqz h ASP 66 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1bqz h ASP 66 Cb 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.59 1bqz h ASP 66 CO 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 179.24 177.25 1bqz n GLN 67 N -3.48 2.56 -1.59 4.15 6.02 -0.94 -4.71 117.38 119.40 1bqz n GLN 67 Ca -0.02 -2.03 -0.16 0.00 -0.01 0.00 0.00 57.00 54.78 1bqz n GLN 67 Cb 0.17 -1.27 -0.06 0.00 1.02 0.00 0.00 30.24 30.10 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 -0.40 0.00 1.08 4.01 -0.67 -4.16 117.16 116.52 1bqz n TYR 68 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1bqz n TYR 68 Cb 0.46 -2.91 0.00 0.00 -0.31 0.00 0.00 39.34 36.58 1bqz n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqz n GLY 69 N -0.37 1.06 0.00 2.72 0.00 -1.12 -4.35 105.19 103.13 1bqz n GLY 69 Ca -0.16 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 1.19 0.00 0.06 1.61 1.44 -1.26 -2.50 115.22 115.75 1bqz n HIS 70 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 1bqz n HIS 70 Cb 0.00 -0.18 0.04 0.00 0.12 0.00 0.00 29.99 29.97 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 2.75 0.63 -0.18 1.59 0.00 -1.84 -2.88 119.26 119.32 1bqz h ALA 71 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1bqz h ALA 71 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bqz h ALA 71 CO 0.00 0.76 0.35 0.00 0.00 0.00 0.00 179.25 180.36 1bqz h ALA 72 N 0.97 1.68 0.00 0.00 0.00 -1.65 0.77 119.26 121.05 1bqz h ALA 72 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bqz h ALA 72 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bqz h ALA 72 CO 0.12 -0.44 -1.08 1.19 0.00 0.00 0.00 179.25 179.04 1bqz n PHE 73 N -3.32 0.45 -2.60 0.00 3.72 -1.09 -5.04 117.46 109.57 1bqz n PHE 73 Ca 0.02 0.13 -0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1bqz n PHE 73 Cb 0.46 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.35 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 -2.19 -4.54 -0.28 -1.08 -0.58 0.27 -4.76 120.64 107.47 1bqz n GLU 74 Ca 0.01 3.41 0.07 0.00 -0.42 0.00 0.00 57.16 60.23 1bqz n GLU 74 Cb 0.48 -4.85 0.18 0.00 -0.57 0.00 0.00 31.44 26.68 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 4.21 0.07 0.00 3.49 4.20 -1.84 -3.42 115.11 121.81 1bqz h GLN 75 Ca -0.50 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1bqz h GLN 75 Cb 1.13 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1bqz h GLN 75 CO 0.01 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 1bqz n GLY 76 N -1.46 -1.51 0.00 3.46 0.00 -1.26 -5.23 105.19 99.19 1bqz n GLY 76 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93