#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 1.08 -2.40 0.00 5.02 -1.26 -4.95 118.16 115.65 1bqz n LYS 2 Ca 0.00 -2.85 -0.27 0.00 -2.02 0.00 0.00 58.31 53.17 1bqz n LYS 2 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1bqz n LYS 2 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1bqz n GLN 3 N 0.02 3.44 -3.23 1.97 6.02 -1.26 -4.45 117.38 119.88 1bqz n GLN 3 Ca 0.12 -4.43 -0.46 0.00 -0.01 0.00 0.00 57.00 52.21 1bqz n GLN 3 Cb 0.76 -2.25 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 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 -3.48 6.48 0.00 1.08 -1.08 -1.26 -4.45 116.67 113.95 1bqz s ASP 4 Ca 0.49 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 50.40 1bqz s ASP 4 Cb 0.40 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 1bqz s ASP 4 CO -0.16 -0.82 0.00 -1.22 0.52 0.00 0.00 175.17 173.49 1bqz n TYR 5 N 5.10 0.00 -0.45 -5.34 4.02 -1.26 0.33 117.16 119.56 1bqz n TYR 5 Ca 0.03 0.00 0.39 0.00 -0.01 0.00 0.00 57.90 58.31 1bqz n TYR 5 Cb 0.44 0.00 0.73 0.00 -0.02 0.00 0.00 39.34 40.49 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 0.17 0.03 -0.72 0.05 -1.87 2.30 116.97 116.93 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 37.66 1bqz h TYR 6 CO 0.00 -0.03 -1.68 1.49 -1.05 0.00 0.00 178.16 176.90 1bqz h GLU 7 N 0.06 0.07 -0.29 4.88 4.57 0.53 0.58 114.58 124.99 1bqz h GLU 7 Ca 0.71 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.83 1bqz h GLU 7 Cb 2.64 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 31.21 1bqz h GLU 7 CO -0.11 0.73 -0.13 0.82 -1.18 0.00 0.00 179.01 179.14 1bqz h ILE 8 N 0.02 0.59 0.00 2.32 1.08 0.37 0.18 117.51 122.07 1bqz h ILE 8 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1bqz h ILE 8 Cb 2.00 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1bqz h ILE 8 CO 0.09 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.73 1bqz n LEU 9 N -5.30 0.00 0.00 1.44 4.77 0.57 -4.86 117.00 113.63 1bqz n LEU 9 Ca -0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1bqz n LEU 9 Cb 0.22 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1bqz n LEU 9 CO 0.18 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1bqz n GLY 10 N 0.98 0.62 4.01 -0.72 0.00 0.63 -4.31 105.19 106.40 1bqz n GLY 10 Ca 0.14 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.70 0.00 -3.26 1.61 0.31 0.20 -4.95 118.33 109.54 1bqz n VAL 11 Ca 0.00 -2.04 -0.32 0.00 -0.01 0.00 0.00 64.34 61.97 1bqz n VAL 11 Cb 0.00 -0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 1bqz n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1bqz s SER 12 N -4.64 6.70 0.65 4.52 0.15 -1.25 -3.65 113.70 116.17 1bqz s SER 12 Ca 0.57 1.11 0.27 0.00 0.70 0.00 0.00 55.95 58.60 1bqz s SER 12 Cb -0.05 -2.30 1.49 0.00 -1.71 0.00 0.00 66.02 63.45 1bqz s SER 12 CO 0.36 -0.15 1.83 0.07 1.20 0.00 0.00 173.24 176.56 1bqz h LYS 13 N 2.35 0.00 -0.57 5.44 2.10 -1.90 2.34 116.57 126.33 1bqz h LYS 13 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 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 -2.82 1.59 0.00 0.07 -2.24 -1.26 -3.68 114.28 105.93 1bqz n THR 14 Ca -0.02 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1bqz n THR 14 Cb 0.42 0.22 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 0.95 0.00 -3.67 6.98 0.00 0.79 -5.06 120.51 120.49 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 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 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 0.60 0.30 0.00 2.02 -1.26 -4.99 118.70 115.37 1bqz s GLU 16 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1bqz s GLU 16 Cb 0.00 0.20 0.48 0.00 0.10 0.00 0.00 34.13 34.91 1bqz s GLU 16 CO 0.00 -0.28 1.84 1.49 0.02 0.00 0.00 175.26 178.33 1bqz h GLU 17 N 2.00 0.69 0.00 1.61 4.81 -1.98 0.45 114.58 122.17 1bqz h GLU 17 Ca -0.29 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1bqz h GLU 17 Cb 1.21 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1bqz h GLU 17 CO 0.28 0.67 -0.22 2.89 -0.73 0.00 0.00 179.01 181.90 1bqz n ARG 18 N -4.27 0.03 -0.01 1.92 1.85 -1.26 -1.50 116.66 113.42 1bqz n ARG 18 Ca 0.03 0.02 0.09 0.00 -1.00 0.00 0.00 57.85 56.98 1bqz n ARG 18 Cb 0.25 -1.53 -0.15 0.00 -1.05 0.00 0.00 32.46 29.98 1bqz n ARG 18 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1bqz n GLU 19 N -1.57 0.58 -0.06 2.89 0.28 -1.05 -3.40 120.64 118.31 1bqz n GLU 19 Ca 0.06 -0.17 -0.05 0.00 -0.16 0.00 0.00 57.16 56.84 1bqz n GLU 19 Cb 0.35 -1.45 -0.03 0.00 1.43 0.00 0.00 31.44 31.74 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 0.23 -0.27 3.84 1.08 -0.91 0.38 117.51 121.86 1bqz h ILE 20 Ca -0.01 -1.21 0.08 0.00 -0.39 0.00 0.00 64.86 63.32 1bqz h ILE 20 Cb 0.89 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1bqz h ILE 20 CO 0.00 0.08 0.24 0.08 -0.69 0.00 0.00 178.15 177.86 1bqz h ARG 21 N -1.00 0.00 0.12 2.37 -0.00 -1.48 0.30 114.38 114.68 1bqz h ARG 21 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.75 1bqz h ARG 21 Cb 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.39 1bqz h ARG 21 CO -0.02 0.00 -0.87 -0.22 -0.00 0.00 0.00 179.97 178.86 1bqz h LYS 22 N 0.00 0.38 -0.50 0.08 1.63 -1.62 -2.46 116.57 114.08 1bqz h LYS 22 Ca 0.13 -0.57 0.10 0.00 -0.85 0.00 0.00 60.65 59.46 1bqz h LYS 22 Cb 0.61 0.20 -0.10 0.00 -0.60 0.00 0.00 32.23 32.33 1bqz h LYS 22 CO -0.00 1.25 -0.27 0.00 -3.45 0.00 0.00 179.45 176.97 1bqz h ALA 23 N 0.17 0.04 0.38 5.00 0.00 0.19 0.77 119.26 125.81 1bqz h ALA 23 Ca -0.14 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1bqz h ALA 23 Cb 1.65 0.64 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1bqz h ALA 23 CO 0.17 -0.62 -0.18 -0.92 0.00 0.00 0.00 179.25 177.69 1bqz h TYR 24 N -0.15 -0.48 -1.92 0.00 3.20 -1.58 -0.33 116.97 115.71 1bqz h TYR 24 Ca 0.22 -0.01 0.56 0.00 3.14 0.00 0.00 58.73 62.64 1bqz h TYR 24 Cb 0.51 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1bqz h TYR 24 CO -0.54 -0.22 1.38 0.87 -1.64 0.00 0.00 178.16 178.01 1bqz h LYS 25 N -0.65 0.00 0.05 1.82 1.57 -0.45 2.96 116.57 121.87 1bqz h LYS 25 Ca -0.05 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 1bqz h LYS 25 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1bqz h LYS 25 CO 0.09 0.00 -0.96 0.00 -0.57 0.00 0.00 179.45 178.00 1bqz h ARG 26 N 0.00 0.11 0.12 3.15 2.47 0.20 -2.76 114.38 117.66 1bqz h ARG 26 Ca 0.91 -0.18 -0.27 0.00 -1.26 0.00 0.00 59.98 59.18 1bqz h ARG 26 Cb 3.66 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 32.06 1bqz h ARG 26 CO -0.02 1.09 -1.21 1.37 0.56 0.00 0.00 179.97 181.76 1bqz h LEU 27 N -0.70 0.43 -0.23 3.04 8.10 0.13 -2.90 115.31 123.18 1bqz h LEU 27 Ca -0.23 -0.45 -0.09 0.00 0.11 0.00 0.00 57.88 57.22 1bqz h LEU 27 Cb 1.41 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1bqz h LEU 27 CO -0.04 1.34 -0.23 0.00 -4.11 0.00 0.00 178.44 175.41 1bqz h ALA 28 N 0.60 0.34 0.00 0.17 0.00 0.49 1.07 119.26 121.92 1bqz h ALA 28 Ca -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1bqz h ALA 28 Cb 1.93 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1bqz h ALA 28 CO 0.20 0.30 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 1bqz h MET 29 N 0.26 0.00 0.00 0.00 -0.00 -1.55 1.04 114.93 114.68 1bqz h MET 29 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1bqz h MET 29 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 1bqz h MET 29 CO 0.06 0.05 -0.71 0.87 -0.00 0.00 0.00 176.91 177.18 1bqz h LYS 30 N 0.00 0.00 -0.05 -0.10 1.57 -1.15 -3.33 116.57 113.50 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1bqz h LYS 30 CO 0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1bqz n TYR 31 N -2.26 0.16 0.00 -1.35 4.01 0.36 -4.92 117.16 113.16 1bqz n TYR 31 Ca 0.02 -0.88 0.00 0.00 -0.16 0.00 0.00 57.90 56.88 1bqz n TYR 31 Cb 0.47 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.08 -0.20 -0.33 -0.72 1.44 0.33 -3.72 115.22 110.95 1bqz n HIS 32 Ca 0.14 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.79 1bqz n HIS 32 Cb 0.61 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.68 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 0.76 -0.06 -1.40 -0.04 -1.26 -3.29 135.00 129.71 1bqz n PRO 33 Ca 0.00 -0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 62.85 1bqz n PRO 33 Cb 0.00 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.34 2.66 0.00 3.54 5.75 -1.26 -4.87 116.55 125.71 1bqz n ASP 34 Ca 0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1bqz n ASP 34 Cb 0.22 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 -3.00 1.45 0.13 0.11 -4.01 -1.21 -4.79 116.66 105.34 1bqz n ARG 35 Ca -0.23 0.00 0.16 0.00 -1.04 0.00 0.00 57.85 56.74 1bqz n ARG 35 Cb 0.73 -0.57 0.49 0.00 -3.04 0.00 0.00 32.46 30.07 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 0.00 2.89 2.35 -1.63 0.65 115.58 119.84 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 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1bqz h ASN 36 CO 0.00 0.00 0.05 0.00 -1.65 0.00 0.00 177.43 175.83 1bqz n GLN 37 N -3.07 0.09 -0.33 0.81 6.02 -1.26 -2.77 117.38 116.87 1bqz n GLN 37 Ca 0.07 0.58 0.10 0.00 -0.01 0.00 0.00 57.00 57.74 1bqz n GLN 37 Cb 0.91 -1.86 0.22 0.00 1.02 0.00 0.00 30.24 30.53 1bqz n GLN 37 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bqz h GLY 38 N 0.00 1.00 0.00 1.08 0.00 -0.06 -3.43 103.07 101.66 1bqz h GLY 38 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1bqz h GLY 38 CO 0.00 -0.43 0.00 1.34 0.00 0.00 0.00 176.54 177.45 1bqz n ASP 39 N -5.50 0.00 -4.52 0.19 -0.08 -1.12 -4.83 116.55 100.69 1bqz n ASP 39 Ca 0.19 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.30 1bqz n ASP 39 Cb 0.62 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.94 1bqz n ASP 39 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1bqz n LYS 40 N 0.00 0.27 0.00 -0.67 4.81 -1.26 -3.59 118.16 117.72 1bqz n LYS 40 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 56.99 1bqz n LYS 40 Cb 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.69 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 7.11 0.00 0.15 1.64 0.28 -1.26 -4.43 120.64 124.12 1bqz n GLU 41 Ca 0.56 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.66 1bqz n GLU 41 Cb 0.30 -1.52 0.53 0.00 1.43 0.00 0.00 31.44 32.18 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 0.17 1.09 -0.04 -1.84 0.00 -1.24 -1.79 120.51 116.87 1bqz n ALA 42 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1bqz n ALA 42 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 1bqz n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bqz h GLU 43 N 0.00 0.24 0.40 0.00 4.57 -1.77 -3.20 114.58 114.82 1bqz h GLU 43 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1bqz h GLU 43 Cb 0.03 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1bqz h GLU 43 CO 0.00 0.22 -0.26 0.00 -1.18 0.00 0.00 179.01 177.78 1bqz h ALA 44 N 1.01 -0.64 -0.92 2.92 0.00 -1.66 -1.23 119.26 118.74 1bqz h ALA 44 Ca 0.06 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.12 1bqz h ALA 44 Cb 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1bqz h ALA 44 CO -0.01 -0.87 0.99 -0.22 0.00 0.00 0.00 179.25 179.13 1bqz h LYS 45 N -0.64 0.00 0.03 0.00 3.64 -1.67 2.71 116.57 120.63 1bqz h LYS 45 Ca -0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1bqz h LYS 45 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1bqz h LYS 45 CO 0.03 0.00 -0.01 0.74 -2.27 0.00 0.00 179.45 177.94 1bqz h PHE 46 N 0.00 -0.04 0.00 1.91 0.04 -1.25 -3.01 116.94 114.60 1bqz h PHE 46 Ca 0.44 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.12 1bqz h PHE 46 Cb 2.41 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 40.55 1bqz h PHE 46 CO 0.00 0.54 -0.96 1.57 -0.60 0.00 0.00 178.31 178.86 1bqz h LYS 47 N -0.64 0.00 -0.98 1.51 -0.00 -0.29 -3.20 116.57 112.97 1bqz h LYS 47 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 60.65 60.88 1bqz h LYS 47 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 32.74 1bqz h LYS 47 CO 0.01 0.21 0.64 0.93 -0.00 0.00 0.00 179.45 181.24 1bqz h GLU 48 N 0.00 0.42 -0.05 0.07 4.39 0.45 0.83 114.58 120.68 1bqz h GLU 48 Ca -0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1bqz h GLU 48 Cb 1.31 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1bqz h GLU 48 CO 0.03 0.28 -0.08 0.82 -1.16 0.00 0.00 179.01 178.90 1bqz h ILE 49 N 0.43 1.41 -0.07 3.13 2.04 -1.52 -2.84 117.51 120.09 1bqz h ILE 49 Ca 0.54 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1bqz h ILE 49 Cb 1.32 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1bqz h ILE 49 CO -0.24 0.36 0.06 0.50 0.00 0.00 0.00 178.15 178.83 1bqz h LYS 50 N -0.35 0.00 0.00 2.37 3.64 -0.03 0.16 116.57 122.36 1bqz h LYS 50 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1bqz h LYS 50 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1bqz h LYS 50 CO 0.02 0.00 -0.26 1.49 -2.27 0.00 0.00 179.45 178.43 1bqz h GLU 51 N 0.00 0.00 0.00 1.90 4.57 0.61 -2.58 114.58 119.08 1bqz h GLU 51 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1bqz h GLU 51 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1bqz h GLU 51 CO -0.00 0.26 0.17 0.00 -1.18 0.00 0.00 179.01 178.26 1bqz h ALA 52 N 1.74 1.13 -0.40 2.92 0.00 -0.54 0.61 119.26 124.72 1bqz h ALA 52 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1bqz h ALA 52 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1bqz h ALA 52 CO 0.03 -0.13 -0.35 1.88 0.00 0.00 0.00 179.25 180.69 1bqz h TYR 53 N 0.00 1.09 -0.22 0.00 0.05 -1.60 0.22 116.97 116.51 1bqz h TYR 53 Ca 0.00 -0.31 0.06 0.00 0.05 0.00 0.00 58.73 58.53 1bqz h TYR 53 Cb 0.34 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1bqz h TYR 53 CO 0.00 1.13 0.40 0.93 -1.05 0.00 0.00 178.16 179.57 1bqz h GLU 54 N 0.76 0.00 0.00 4.88 5.08 -1.08 1.68 114.58 125.91 1bqz h GLU 54 Ca 0.07 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.04 1bqz h GLU 54 Cb 0.93 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 1bqz h GLU 54 CO 0.09 0.00 -2.15 1.55 -1.00 0.00 0.00 179.01 177.50 1bqz n VAL 55 N -3.32 1.54 0.06 3.13 3.14 -0.62 -4.60 118.33 117.66 1bqz n VAL 55 Ca 0.03 -0.30 0.03 0.00 -2.96 0.00 0.00 64.34 61.14 1bqz n VAL 55 Cb 0.52 -1.90 -0.05 0.00 -1.06 0.00 0.00 33.84 31.35 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 -0.91 0.00 -3.24 6.55 7.12 0.21 0.35 115.31 125.38 1bqz h LEU 56 Ca -0.59 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.19 1bqz h LEU 56 Cb 1.55 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 41.58 1bqz h LEU 56 CO -0.33 0.41 0.30 0.35 -0.13 0.00 0.00 178.44 179.04 1bqz n THR 57 N -2.86 2.44 -3.58 1.05 -2.24 0.57 -4.31 114.28 105.34 1bqz n THR 57 Ca -0.06 -1.24 -0.10 0.00 -2.27 0.00 0.00 64.05 60.37 1bqz n THR 57 Cb 0.75 -1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.57 0.08 0.30 3.42 1.01 -1.26 -4.90 116.67 115.90 1bqz s ASP 58 Ca 0.22 0.67 0.02 0.00 0.71 0.00 0.00 52.55 54.17 1bqz s ASP 58 Cb 0.18 1.09 0.76 0.00 1.01 0.00 0.00 42.92 45.96 1bqz s ASP 58 CO 0.00 -0.25 1.59 0.28 0.21 0.00 0.00 175.17 177.00 1bqz h SER 59 N 8.21 -0.36 -0.12 0.27 0.02 -1.90 0.99 113.55 120.65 1bqz h SER 59 Ca -0.16 0.26 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 1bqz h SER 59 Cb 1.12 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 1bqz h SER 59 CO 0.16 -0.32 -0.48 -0.61 -1.14 0.00 0.00 176.83 174.44 1bqz h GLN 60 N 0.04 0.68 0.03 3.45 4.15 -1.95 -1.06 115.11 120.45 1bqz h GLN 60 Ca 0.59 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1bqz h GLN 60 Cb 1.24 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1bqz h GLN 60 CO -0.86 1.01 -0.01 0.87 -1.93 0.00 0.00 178.83 177.91 1bqz h LYS 61 N 0.54 -0.04 0.00 1.69 1.79 -0.03 -0.94 116.57 119.59 1bqz h LYS 61 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1bqz h LYS 61 Cb 1.03 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1bqz h LYS 61 CO 0.10 0.65 -0.11 0.07 -1.08 0.00 0.00 179.45 179.08 1bqz h ARG 62 N -0.83 0.00 0.00 3.15 0.11 0.49 0.28 114.38 117.58 1bqz h ARG 62 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1bqz h ARG 62 Cb 0.71 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.79 1bqz h ARG 62 CO 0.01 0.11 -0.84 0.00 0.10 0.00 0.00 179.97 179.34 1bqz h ALA 63 N 1.89 0.60 0.12 0.08 0.00 -1.22 -3.00 119.26 117.73 1bqz h ALA 63 Ca -0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1bqz h ALA 63 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1bqz h ALA 63 CO 0.01 0.07 -1.90 0.00 0.00 0.00 0.00 179.25 177.43 1bqz h ALA 64 N 1.95 0.44 0.00 0.00 0.00 -0.52 -3.37 119.26 117.76 1bqz h ALA 64 Ca -0.01 -1.36 -0.04 0.00 0.00 0.00 0.00 54.91 53.50 1bqz h ALA 64 Cb 1.05 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1bqz h ALA 64 CO 0.00 1.31 -0.21 1.88 0.00 0.00 0.00 179.25 182.23 1bqz h TYR 65 N 0.07 0.00 0.00 0.00 0.05 -1.10 -1.59 116.97 114.40 1bqz h TYR 65 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1bqz h TYR 65 Cb 2.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.78 1bqz h TYR 65 CO 0.07 0.19 0.00 0.38 -1.05 0.00 0.00 178.16 177.75 1bqz h ASP 66 N 0.00 0.00 0.00 3.88 3.04 -1.60 -2.77 116.42 118.97 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 1.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1bqz h ASP 66 CO 0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 179.24 177.20 1bqz n GLN 67 N -2.99 1.92 -3.67 4.15 10.64 -1.19 -4.69 117.38 121.55 1bqz n GLN 67 Ca -0.00 -1.30 -0.27 0.00 -1.83 0.00 0.00 57.00 53.60 1bqz n GLN 67 Cb 0.22 -0.89 -0.02 0.00 -0.86 0.00 0.00 30.24 28.69 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1bqz n TYR 68 N -0.43 -1.67 0.00 2.61 4.01 -0.69 -4.05 117.16 116.94 1bqz n TYR 68 Ca 0.01 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1bqz n TYR 68 Cb 0.37 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 36.96 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 -1.10 0.40 0.00 2.72 0.00 -0.69 -4.37 105.19 102.16 1bqz n GLY 69 Ca 0.04 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.38 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 0.55 0.00 0.07 1.61 1.44 -1.26 -3.05 115.22 114.58 1bqz n HIS 70 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1bqz n HIS 70 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 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 3.45 0.48 -0.17 1.59 0.00 -1.80 -3.03 119.26 119.77 1bqz h ALA 71 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 54.26 1bqz h ALA 71 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bqz h ALA 71 CO 0.00 0.85 0.52 0.00 0.00 0.00 0.00 179.25 180.62 1bqz h ALA 72 N 0.89 1.74 0.00 0.00 0.00 -1.68 0.97 119.26 121.18 1bqz h ALA 72 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bqz h ALA 72 Cb 1.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1bqz h ALA 72 CO 0.14 -0.61 -1.37 1.19 0.00 0.00 0.00 179.25 178.60 1bqz n PHE 73 N -3.06 0.63 -3.42 0.00 3.01 -1.15 -4.82 117.46 108.66 1bqz n PHE 73 Ca 0.02 0.19 -0.13 0.00 1.01 0.00 0.00 57.45 58.54 1bqz n PHE 73 Cb 0.61 -0.81 -0.10 0.00 -0.01 0.00 0.00 39.48 39.17 1bqz n PHE 73 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bqz s GLU 74 N -3.39 0.27 0.21 -1.08 2.02 0.34 -5.16 118.70 111.91 1bqz s GLU 74 Ca -0.03 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.37 1bqz s GLU 74 Cb 0.11 -0.81 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1bqz s GLU 74 CO 0.83 -0.64 0.20 1.04 0.02 0.00 0.00 175.26 176.71 1bqz n GLN 75 N 5.34 1.08 -4.18 1.61 6.02 -1.22 -4.56 117.38 121.48 1bqz n GLN 75 Ca -0.05 -1.23 -0.17 0.00 -0.01 0.00 0.00 57.00 55.55 1bqz n GLN 75 Cb 0.50 0.06 -0.06 0.00 1.02 0.00 0.00 30.24 31.76 1bqz n GLN 75 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1bqz s GLY 76 N -2.66 1.90 0.00 1.08 0.00 -1.26 -5.16 107.32 101.22 1bqz s GLY 76 Ca 0.15 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1bqz s GLY 76 CO 0.10 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.59