#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb3 n ALA 7 N 0.00 0.00 0.00 -1.41 0.00 -1.26 -4.79 120.51 113.05 1qb3 n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qb3 n ALA 7 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1qb3 n ALA 7 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qb3 n PHE 8 N -1.95 0.00 -3.01 0.00 7.35 -1.26 -4.80 117.46 113.79 1qb3 n PHE 8 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1qb3 n PHE 8 Cb 0.42 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.19 1qb3 n PHE 8 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1qb3 s GLN 9 N 0.00 3.26 0.00 -4.13 1.11 -1.26 -4.82 119.66 113.82 1qb3 s GLN 9 Ca 0.00 -0.47 0.00 0.00 0.01 0.00 0.00 55.36 54.90 1qb3 s GLN 9 Cb 0.00 -4.03 0.00 0.00 -1.01 0.00 0.00 33.01 27.97 1qb3 s GLN 9 CO 0.00 -1.26 0.00 0.41 0.01 0.00 0.00 175.29 174.45 1qb3 n GLY 10 N 5.10 0.74 3.32 3.09 0.00 -1.26 -4.34 105.19 111.83 1qb3 n GLY 10 Ca -0.01 -2.06 -0.47 0.00 0.00 0.00 0.00 46.02 43.48 1qb3 n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qb3 s ARG 11 N -1.16 3.56 0.52 1.61 3.00 -1.26 -5.05 118.95 120.17 1qb3 s ARG 11 Ca 0.00 -2.47 -0.21 0.00 -1.00 0.00 0.00 55.73 52.05 1qb3 s ARG 11 Cb 0.00 -4.40 -0.07 0.00 0.00 0.00 0.00 34.95 30.48 1qb3 s ARG 11 CO 0.00 -1.29 0.97 1.17 0.00 0.00 0.00 175.30 176.15 1qb3 n LYS 12 N 3.95 1.10 -2.93 5.12 4.81 -1.26 -4.95 118.16 124.00 1qb3 n LYS 12 Ca 0.14 0.41 -0.34 0.00 -0.87 0.00 0.00 58.31 57.64 1qb3 n LYS 12 Cb 0.47 -2.10 -0.07 0.00 0.02 0.00 0.00 35.03 33.35 1qb3 n LYS 12 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1qb3 s LEU 13 N -1.24 4.12 0.67 3.14 1.43 -1.26 -5.04 118.68 120.49 1qb3 s LEU 13 Ca 0.70 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 1qb3 s LEU 13 Cb -0.47 -4.17 -0.00 0.00 0.03 0.00 0.00 46.19 41.58 1qb3 s LEU 13 CO 0.52 -0.20 1.06 0.42 0.23 0.00 0.00 176.35 178.38 1qb3 s THR 14 N -1.91 3.88 0.45 5.49 -4.23 -1.26 -4.67 115.64 113.40 1qb3 s THR 14 Ca 0.55 0.70 0.21 0.00 -1.18 0.00 0.00 61.69 61.97 1qb3 s THR 14 Cb -0.13 -3.34 0.41 0.00 1.34 0.00 0.00 72.50 70.78 1qb3 s THR 14 CO 0.18 -0.71 1.86 0.44 -0.54 0.00 0.00 174.62 175.84 1qb3 h ASP 15 N -0.39 0.30 -0.03 3.99 3.32 -1.98 0.37 116.42 122.00 1qb3 h ASP 15 Ca -0.45 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1qb3 h ASP 15 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1qb3 h ASP 15 CO 0.56 0.11 -0.13 1.56 -1.72 0.00 0.00 179.24 179.63 1qb3 h GLN 16 N 0.29 0.15 0.24 3.56 7.50 -1.99 -1.64 115.11 123.22 1qb3 h GLN 16 Ca 0.47 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.52 1qb3 h GLN 16 Cb 1.34 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.86 1qb3 h GLN 16 CO -0.14 0.75 -0.37 0.93 -1.50 0.00 0.00 178.83 178.50 1qb3 h GLU 17 N -0.43 -0.65 -0.54 1.46 5.08 -1.28 -0.88 114.58 117.34 1qb3 h GLU 17 Ca -0.01 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1qb3 h GLU 17 Cb 0.77 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 1qb3 h GLU 17 CO 0.03 -0.43 -0.47 -0.09 -1.00 0.00 0.00 179.01 177.04 1qb3 h ARG 18 N -0.68 -0.26 -0.17 2.33 9.65 -0.41 0.31 114.38 125.16 1qb3 h ARG 18 Ca 0.00 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.94 1qb3 h ARG 18 Cb 0.65 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1qb3 h ARG 18 CO -0.14 -0.17 0.12 0.00 2.80 0.00 0.00 179.97 182.57 1qb3 h ALA 19 N 0.44 2.11 0.00 2.80 0.00 -0.90 -1.49 119.26 122.23 1qb3 h ALA 19 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1qb3 h ALA 19 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1qb3 h ALA 19 CO -0.67 -0.15 -1.01 -0.09 0.00 0.00 0.00 179.25 177.33 1qb3 h ARG 20 N 0.04 0.00 0.04 0.00 2.43 0.45 -3.35 114.38 113.99 1qb3 h ARG 20 Ca 0.08 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 1qb3 h ARG 20 Cb 0.26 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1qb3 h ARG 20 CO -0.00 0.53 -0.47 0.28 -1.51 0.00 0.00 179.97 178.79 1qb3 h VAL 21 N 0.00 1.55 0.00 0.20 2.07 -0.92 -3.25 116.25 115.90 1qb3 h VAL 21 Ca -0.08 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1qb3 h VAL 21 Cb 1.59 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 1qb3 h VAL 21 CO 0.07 0.62 0.26 0.18 0.02 0.00 0.00 177.57 178.72 1qb3 n LEU 22 N -4.33 0.22 -0.08 2.57 4.77 -0.59 -0.73 117.00 118.83 1qb3 n LEU 22 Ca -0.11 0.47 0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1qb3 n LEU 22 Cb 0.64 -0.44 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 1qb3 n LEU 22 CO 0.43 -0.54 1.10 -0.08 -1.33 0.00 0.00 177.39 176.96 1qb3 h GLU 23 N 0.00 0.70 0.00 3.23 4.81 -1.70 -2.73 114.58 118.90 1qb3 h GLU 23 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1qb3 h GLU 23 Cb 0.51 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1qb3 h GLU 23 CO 0.00 0.55 -0.46 1.19 -0.73 0.00 0.00 179.01 179.55 1qb3 n PHE 24 N -4.38 0.20 -0.32 0.92 3.72 0.09 -4.52 117.46 113.18 1qb3 n PHE 24 Ca 0.04 0.06 -0.04 0.00 -0.05 0.00 0.00 57.45 57.46 1qb3 n PHE 24 Cb 0.12 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.22 1qb3 n PHE 24 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1qb3 n GLN 25 N -1.72 -0.25 0.00 -1.08 7.27 -1.03 0.15 117.38 120.72 1qb3 n GLN 25 Ca 0.05 1.22 0.01 0.00 0.07 0.00 0.00 57.00 58.35 1qb3 n GLN 25 Cb 0.37 -1.81 0.05 0.00 2.41 0.00 0.00 30.24 31.26 1qb3 n GLN 25 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1qb3 n ASP 26 N -5.11 0.00 -0.16 1.69 8.00 -1.26 -1.78 116.55 117.92 1qb3 n ASP 26 Ca 0.06 0.16 0.02 0.00 0.71 0.00 0.00 54.79 55.73 1qb3 n ASP 26 Cb 0.28 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1qb3 n ASP 26 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qb3 n SER 27 N -1.20 1.83 -4.75 -2.24 7.64 0.12 -5.00 113.62 110.02 1qb3 n SER 27 Ca 0.01 -1.62 -0.40 0.00 1.01 0.00 0.00 58.87 57.87 1qb3 n SER 27 Cb 0.01 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1qb3 n SER 27 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1qb3 s ILE 28 N -0.68 3.69 -0.04 0.44 1.01 -0.74 -4.42 121.20 120.46 1qb3 s ILE 28 Ca 0.05 1.66 0.06 0.00 0.00 0.00 0.00 60.65 62.42 1qb3 s ILE 28 Cb 0.03 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1qb3 s ILE 28 CO 0.04 0.38 -0.22 -2.28 0.00 0.00 0.00 174.94 172.86 1qb3 s HIS 29 N -1.00 2.49 -0.17 3.97 5.65 -0.60 -4.99 115.29 120.64 1qb3 s HIS 29 Ca 0.44 -0.43 -0.03 0.00 0.25 0.00 0.00 55.06 55.29 1qb3 s HIS 29 Cb -0.30 -1.58 -0.02 0.00 -1.18 0.00 0.00 32.58 29.50 1qb3 s HIS 29 CO 0.38 -0.02 -0.04 0.71 -0.65 0.00 0.00 174.74 175.12 1qb3 s TYR 30 N -0.50 2.99 0.64 3.88 1.51 -1.26 -0.66 117.35 123.94 1qb3 s TYR 30 Ca 0.07 -0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 1qb3 s TYR 30 Cb -0.11 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1qb3 s TYR 30 CO 0.01 -0.16 1.02 -1.54 -1.11 0.00 0.00 175.55 173.77 1qb3 s SER 31 N 0.63 5.84 0.67 2.29 1.04 -0.62 -5.03 113.70 118.51 1qb3 s SER 31 Ca -0.03 1.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.44 1qb3 s SER 31 Cb -0.14 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1qb3 s SER 31 CO 0.02 -1.06 1.11 -2.84 0.98 0.00 0.00 173.24 171.45 1qb3 s PRO 32 N -5.20 2.78 0.62 4.02 0.02 -1.26 -4.63 135.00 131.35 1qb3 s PRO 32 Ca 0.56 1.36 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 1qb3 s PRO 32 Cb -0.11 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1qb3 s PRO 32 CO 0.51 -1.26 1.01 1.03 -0.33 0.00 0.00 177.00 177.97 1qb3 s ARG 33 N -4.17 3.42 0.18 5.54 0.52 -1.26 -4.66 118.95 118.52 1qb3 s ARG 33 Ca 0.66 0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 56.40 1qb3 s ARG 33 Cb -0.20 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 1qb3 s ARG 33 CO 0.43 -0.63 0.27 1.52 0.02 0.00 0.00 175.30 176.91 1qb3 s TYR 34 N -3.16 0.53 0.14 -0.53 -0.85 0.42 -4.95 117.35 108.96 1qb3 s TYR 34 Ca 0.55 -0.88 -0.09 0.00 -0.52 0.00 0.00 57.07 56.13 1qb3 s TYR 34 Cb -0.11 -0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.10 1qb3 s TYR 34 CO 0.52 -0.73 0.26 -1.54 -1.52 0.00 0.00 175.55 172.55 1qb3 s SER 35 N -3.01 0.05 0.00 -0.18 1.04 -1.26 0.14 113.70 110.48 1qb3 s SER 35 Ca 0.21 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1qb3 s SER 35 Cb 0.04 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1qb3 s SER 35 CO 0.03 -0.85 0.00 -0.90 0.98 0.00 0.00 173.24 172.50 1qb3 n ASP 36 N -0.17 0.77 0.23 7.02 5.75 0.47 -4.99 116.55 125.62 1qb3 n ASP 36 Ca -0.10 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.79 1qb3 n ASP 36 Cb 0.63 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 41.21 1qb3 n ASP 36 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1qb3 h ASP 37 N 0.00 0.00 0.00 -1.12 5.19 -2.04 -3.37 116.42 115.08 1qb3 h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1qb3 h ASP 37 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1qb3 h ASP 37 CO 0.00 0.19 -0.80 0.59 -3.12 0.00 0.00 179.24 176.10 1qb3 n ASN 38 N -3.36 4.01 -4.37 6.45 4.13 -1.26 -5.10 115.26 115.76 1qb3 n ASN 38 Ca 0.00 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.07 1qb3 n ASN 38 Cb 0.41 0.50 -0.10 0.00 -1.54 0.00 0.00 39.78 39.05 1qb3 n ASN 38 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1qb3 s TYR 39 N -1.75 1.76 -0.05 3.10 2.02 -1.26 -5.12 117.35 116.04 1qb3 s TYR 39 Ca 0.00 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 1qb3 s TYR 39 Cb 0.00 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1qb3 s TYR 39 CO 0.00 0.28 -0.08 -2.00 -1.57 0.00 0.00 175.55 172.17 1qb3 s GLU 40 N -3.70 2.66 0.11 -0.62 2.12 -1.26 -0.39 118.70 117.62 1qb3 s GLU 40 Ca 0.25 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 55.01 1qb3 s GLU 40 Cb 0.02 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1qb3 s GLU 40 CO 0.08 0.65 -0.10 0.71 -0.54 0.00 0.00 175.26 176.06 1qb3 s TYR 41 N -0.83 1.10 -0.12 5.30 2.02 0.38 -4.96 117.35 120.25 1qb3 s TYR 41 Ca 0.13 -0.72 -0.33 0.00 -0.37 0.00 0.00 57.07 55.78 1qb3 s TYR 41 Cb -0.11 -0.59 0.13 0.00 -0.40 0.00 0.00 41.96 40.98 1qb3 s TYR 41 CO 0.02 0.01 1.15 -0.98 -1.57 0.00 0.00 175.55 174.17 1qb3 s ARG 42 N -3.23 0.45 0.05 -0.62 1.04 -1.26 -0.43 118.95 114.95 1qb3 s ARG 42 Ca 0.10 -0.18 0.03 0.00 -1.04 0.00 0.00 55.73 54.63 1qb3 s ARG 42 Cb -0.00 0.20 -0.02 0.00 -2.04 0.00 0.00 34.95 33.08 1qb3 s ARG 42 CO -0.00 -0.20 -0.10 -3.38 -0.04 0.00 0.00 175.30 171.58 1qb3 s HIS 43 N -2.59 0.84 -0.20 5.89 -3.43 -1.26 -5.01 115.29 109.52 1qb3 s HIS 43 Ca 0.09 -0.45 -0.07 0.00 -0.80 0.00 0.00 55.06 53.83 1qb3 s HIS 43 Cb -0.00 -0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 1qb3 s HIS 43 CO -0.05 -0.03 0.04 0.08 -2.00 0.00 0.00 174.74 172.78 1qb3 s VAL 44 N -1.23 4.40 -0.28 -5.38 1.01 -1.26 -1.59 120.40 116.06 1qb3 s VAL 44 Ca -0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1qb3 s VAL 44 Cb -0.09 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1qb3 s VAL 44 CO 0.01 0.42 0.13 -0.32 0.00 0.00 0.00 175.10 175.34 1qb3 s MET 45 N 0.87 3.57 0.14 2.72 1.75 0.16 -4.96 119.30 123.55 1qb3 s MET 45 Ca 0.03 -0.56 -0.11 0.00 -1.25 0.00 0.00 55.69 53.80 1qb3 s MET 45 Cb -0.14 -3.50 -0.06 0.00 2.84 0.00 0.00 34.83 33.97 1qb3 s MET 45 CO 0.02 -0.29 0.48 -0.51 -0.65 0.00 0.00 175.02 174.08 1qb3 s LEU 46 N 1.64 4.30 -0.04 4.11 1.43 -1.26 -1.56 118.68 127.30 1qb3 s LEU 46 Ca 0.06 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 1qb3 s LEU 46 Cb -0.16 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 1qb3 s LEU 46 CO 0.06 0.08 1.44 -2.16 0.23 0.00 0.00 176.35 176.00 1qb3 s PRO 47 N -2.19 4.25 0.22 1.29 0.04 -1.26 -4.87 135.00 132.48 1qb3 s PRO 47 Ca 0.38 1.96 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 1qb3 s PRO 47 Cb -0.14 -3.71 0.42 0.00 0.04 0.00 0.00 34.50 31.12 1qb3 s PRO 47 CO 0.20 -0.67 1.21 1.63 0.04 0.00 0.00 177.00 179.41 1qb3 n LYS 48 N 6.04 -0.07 -0.35 4.56 5.02 -1.26 0.36 118.16 132.47 1qb3 n LYS 48 Ca 0.14 1.19 0.05 0.00 -2.02 0.00 0.00 58.31 57.68 1qb3 n LYS 48 Cb 0.44 -1.81 0.13 0.00 -0.02 0.00 0.00 35.03 33.77 1qb3 n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qb3 h ALA 49 N 1.55 0.64 -0.45 7.82 0.00 -2.02 1.10 119.26 127.89 1qb3 h ALA 49 Ca 0.40 0.38 0.13 0.00 0.00 0.00 0.00 54.91 55.81 1qb3 h ALA 49 Cb 0.68 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1qb3 h ALA 49 CO -0.78 -0.39 0.33 1.98 0.00 0.00 0.00 179.25 180.39 1qb3 h MET 50 N 0.00 0.01 -0.59 0.00 1.85 -0.46 -0.62 114.93 115.13 1qb3 h MET 50 Ca 0.47 -0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.59 1qb3 h MET 50 Cb 0.71 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.70 1qb3 h MET 50 CO -0.99 0.01 0.35 -0.07 -0.40 0.00 0.00 176.91 175.80 1qb3 h LEU 51 N 0.01 0.56 -2.06 3.39 3.38 0.12 -1.12 115.31 119.58 1qb3 h LEU 51 Ca 0.22 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1qb3 h LEU 51 Cb 0.85 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1qb3 h LEU 51 CO -0.00 0.39 0.27 0.11 0.09 0.00 0.00 178.44 179.29 1qb3 h LYS 52 N 0.68 0.00 -0.41 1.13 1.57 -1.09 -1.24 116.57 117.21 1qb3 h LYS 52 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1qb3 h LYS 52 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1qb3 h LYS 52 CO -0.11 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.10 1qb3 n VAL 53 N -4.19 0.52 -3.03 0.50 0.24 -0.45 -4.91 118.33 107.02 1qb3 n VAL 53 Ca 0.05 -0.74 -0.40 0.00 -2.04 0.00 0.00 64.34 61.22 1qb3 n VAL 53 Cb 0.44 0.89 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 1qb3 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1qb3 s ILE 54 N -1.48 5.01 0.61 1.34 1.01 -0.47 -4.70 121.20 122.53 1qb3 s ILE 54 Ca 0.39 1.48 -0.18 0.00 0.00 0.00 0.00 60.65 62.35 1qb3 s ILE 54 Cb 0.23 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 1qb3 s ILE 54 CO 0.31 0.26 0.12 -2.65 0.00 0.00 0.00 174.94 172.99 1qb3 n PRO 55 N 3.69 0.20 0.14 2.79 -0.02 -1.26 -4.88 135.00 135.67 1qb3 n PRO 55 Ca -0.01 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.68 1qb3 n PRO 55 Cb 0.51 -1.36 0.33 0.00 -0.02 0.00 0.00 33.50 32.96 1qb3 n PRO 55 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qb3 h SER 56 N -0.11 0.00 0.28 2.55 4.64 -1.97 -2.96 113.55 115.99 1qb3 h SER 56 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1qb3 h SER 56 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1qb3 h SER 56 CO 0.42 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.48 1qb3 n ASP 57 N -2.55 0.00 -0.79 4.97 5.75 -1.26 -1.82 116.55 120.85 1qb3 n ASP 57 Ca 0.05 -0.44 0.09 0.00 -0.01 0.00 0.00 54.79 54.48 1qb3 n ASP 57 Cb 0.46 -0.16 0.25 0.00 -1.03 0.00 0.00 41.12 40.64 1qb3 n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qb3 n TYR 58 N -1.16 0.48 -4.36 2.11 4.02 -1.12 -4.91 117.16 112.22 1qb3 n TYR 58 Ca 0.16 -0.24 -0.24 0.00 -0.01 0.00 0.00 57.90 57.57 1qb3 n TYR 58 Cb 0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.39 1qb3 n TYR 58 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1qb3 s PHE 59 N -1.52 2.53 -0.59 -0.72 0.08 -0.76 -2.00 117.98 114.99 1qb3 s PHE 59 Ca 0.32 -0.27 -0.16 0.00 0.12 0.00 0.00 56.93 56.94 1qb3 s PHE 59 Cb 0.17 -1.15 0.14 0.00 -0.57 0.00 0.00 43.02 41.61 1qb3 s PHE 59 CO 0.23 0.62 0.57 1.21 -0.10 0.00 0.00 175.22 177.75 1qb3 s ASN 60 N -3.35 6.28 0.55 1.36 3.84 0.44 -4.48 114.94 119.59 1qb3 s ASN 60 Ca 0.29 -1.90 0.30 0.00 0.21 0.00 0.00 52.86 51.75 1qb3 s ASN 60 Cb -0.07 -2.22 1.46 0.00 -0.55 0.00 0.00 41.25 39.88 1qb3 s ASN 60 CO 0.16 -0.84 1.91 0.77 -2.79 0.00 0.00 177.10 176.31 1qb3 h SER 61 N 8.75 0.00 1.70 -4.21 4.64 -1.91 0.29 113.55 122.81 1qb3 h SER 61 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1qb3 h SER 61 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qb3 h SER 61 CO 1.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.63 1qb3 h GLU 62 N 0.00 0.00 0.00 4.77 3.07 -1.96 -3.38 114.58 117.08 1qb3 h GLU 62 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1qb3 h GLU 62 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 1qb3 h GLU 62 CO -0.00 0.00 -0.80 0.28 -1.40 0.00 0.00 179.01 177.09 1qb3 n VAL 63 N -3.00 0.00 -0.34 3.13 0.31 -0.29 -5.03 118.33 113.11 1qb3 n VAL 63 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1qb3 n VAL 63 Cb 0.46 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1qb3 n VAL 63 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qb3 n GLY 64 N 2.60 0.76 4.01 2.92 0.00 0.88 -5.05 105.19 111.31 1qb3 n GLY 64 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1qb3 n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qb3 s THR 65 N -2.30 2.20 0.16 2.61 -4.23 -1.26 -4.88 115.64 107.95 1qb3 s THR 65 Ca 0.00 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.18 1qb3 s THR 65 Cb 0.00 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.48 1qb3 s THR 65 CO 0.00 0.00 0.77 -0.76 -0.54 0.00 0.00 174.62 174.09 1qb3 s LEU 66 N -4.56 4.59 1.24 4.79 1.43 -1.26 -0.42 118.68 124.50 1qb3 s LEU 66 Ca 0.57 1.63 -0.20 0.00 -1.03 0.00 0.00 54.13 55.10 1qb3 s LEU 66 Cb -0.06 -3.28 0.30 0.00 0.03 0.00 0.00 46.19 43.18 1qb3 s LEU 66 CO 0.35 0.21 1.08 0.00 0.23 0.00 0.00 176.35 178.23 1qb3 s ARG 67 N -1.16 -1.52 0.35 1.70 1.70 -0.85 -4.68 118.95 114.50 1qb3 s ARG 67 Ca 0.36 -0.05 -0.28 0.00 -0.47 0.00 0.00 55.73 55.29 1qb3 s ARG 67 Cb -0.23 -1.56 -0.10 0.00 -0.57 0.00 0.00 34.95 32.49 1qb3 s ARG 67 CO 0.26 -3.91 1.32 0.42 -1.08 0.00 0.00 175.30 172.31 1qb3 s ILE 68 N -2.90 2.64 -0.05 4.99 -1.09 -1.26 -4.96 121.20 118.58 1qb3 s ILE 68 Ca 0.71 0.63 0.04 0.00 -2.23 0.00 0.00 60.65 59.80 1qb3 s ILE 68 Cb -0.10 -3.40 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1qb3 s ILE 68 CO 0.56 0.14 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.49 1qb3 s LEU 69 N -1.94 2.62 0.86 2.97 1.43 -1.26 -5.11 118.68 118.25 1qb3 s LEU 69 Ca 0.51 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1qb3 s LEU 69 Cb -0.40 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.40 1qb3 s LEU 69 CO 0.53 0.32 1.11 0.42 0.23 0.00 0.00 176.35 178.96 1qb3 s THR 70 N -0.60 2.58 0.13 5.49 -4.23 -1.26 -4.61 115.64 113.14 1qb3 s THR 70 Ca 0.09 0.19 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 1qb3 s THR 70 Cb -0.11 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1qb3 s THR 70 CO 0.01 -0.25 1.69 -0.08 -0.54 0.00 0.00 174.62 175.45 1qb3 h GLU 71 N -1.34 0.52 -1.01 3.99 4.81 -1.93 -1.73 114.58 117.89 1qb3 h GLU 71 Ca -0.49 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 58.75 1qb3 h GLU 71 Cb 1.30 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 1qb3 h GLU 71 CO 0.59 0.49 0.64 -0.44 -0.73 0.00 0.00 179.01 179.57 1qb3 h ASP 72 N 0.43 0.98 0.77 1.04 3.32 -1.92 0.30 116.42 121.35 1qb3 h ASP 72 Ca 0.12 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1qb3 h ASP 72 Cb 0.15 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1qb3 h ASP 72 CO -0.01 0.57 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.38 1qb3 h GLU 73 N 1.08 -1.00 0.00 3.56 5.08 -1.65 0.15 114.58 121.80 1qb3 h GLU 73 Ca 0.47 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1qb3 h GLU 73 Cb 0.34 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1qb3 h GLU 73 CO -0.22 -0.65 -0.01 0.11 -1.00 0.00 0.00 179.01 177.24 1qb3 h TRP 74 N -1.17 0.00 0.02 4.33 5.08 -0.81 0.31 115.95 123.71 1qb3 h TRP 74 Ca -0.11 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.63 1qb3 h TRP 74 Cb 0.81 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.97 1qb3 h TRP 74 CO -0.00 0.01 -0.99 0.00 -1.28 0.00 0.00 178.44 176.17 1qb3 h ARG 75 N 0.00 0.36 -0.91 0.12 2.47 -0.84 -3.00 114.38 112.59 1qb3 h ARG 75 Ca -0.00 -0.42 0.08 0.00 -1.26 0.00 0.00 59.98 58.38 1qb3 h ARG 75 Cb 0.23 0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 1qb3 h ARG 75 CO 0.00 1.11 0.56 0.78 0.56 0.00 0.00 179.97 182.98 1qb3 h GLY 76 N 1.35 1.40 1.96 0.04 0.00 0.17 -0.03 103.07 107.97 1qb3 h GLY 76 Ca -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1qb3 h GLY 76 CO 0.17 0.23 0.00 1.04 0.00 0.00 0.00 176.54 177.98 1qb3 n LEU 77 N -4.62 0.00 0.00 3.11 4.77 -0.85 -4.81 117.00 114.59 1qb3 n LEU 77 Ca 0.14 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1qb3 n LEU 77 Cb 0.23 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1qb3 n LEU 77 CO 0.30 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1qb3 n GLY 78 N -0.82 0.73 3.69 -0.72 0.00 -0.02 -4.60 105.19 103.45 1qb3 n GLY 78 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1qb3 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qb3 s ILE 79 N -2.22 4.33 -0.08 -0.61 1.01 -1.14 -4.88 121.20 117.61 1qb3 s ILE 79 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1qb3 s ILE 79 Cb 0.00 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1qb3 s ILE 79 CO 0.00 0.03 -0.06 0.42 0.00 0.00 0.00 174.94 175.33 1qb3 s THR 80 N 1.92 0.77 0.17 2.92 -4.23 -1.26 -4.24 115.64 111.68 1qb3 s THR 80 Ca 0.55 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.76 1qb3 s THR 80 Cb -0.24 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 72.79 1qb3 s THR 80 CO 0.23 0.31 0.36 0.00 -0.54 0.00 0.00 174.62 174.98 1qb3 s GLN 81 N 1.45 1.20 0.66 3.99 -2.07 -1.26 -5.11 119.66 118.51 1qb3 s GLN 81 Ca -0.01 -1.03 -0.11 0.00 -1.82 0.00 0.00 55.36 52.39 1qb3 s GLN 81 Cb -0.13 0.42 0.16 0.00 -1.09 0.00 0.00 33.01 32.38 1qb3 s GLN 81 CO -0.04 -0.46 0.37 -1.13 -1.32 0.00 0.00 175.29 172.71 1qb3 n SER 82 N -0.24 -2.83 -4.82 12.60 3.41 -1.26 -4.97 113.62 115.51 1qb3 n SER 82 Ca -0.09 -0.38 -0.32 0.00 -0.26 0.00 0.00 58.87 57.82 1qb3 n SER 82 Cb 0.63 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1qb3 n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qb3 s LEU 83 N 0.00 3.50 -0.03 1.04 1.43 -1.26 -4.20 118.68 119.16 1qb3 s LEU 83 Ca 0.29 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1qb3 s LEU 83 Cb -0.05 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1qb3 s LEU 83 CO 0.24 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1qb3 n GLY 84 N -1.32 0.37 3.75 -3.19 0.00 -1.26 -5.02 105.19 98.53 1qb3 n GLY 84 Ca 0.08 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1qb3 n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qb3 s TRP 85 N -1.73 3.92 -0.10 1.61 0.52 -1.26 -5.05 118.94 116.85 1qb3 s TRP 85 Ca 0.00 1.78 0.02 0.00 0.02 0.00 0.00 56.10 57.92 1qb3 s TRP 85 Cb 0.00 -2.92 -0.01 0.00 -1.15 0.00 0.00 33.47 29.39 1qb3 s TRP 85 CO 0.00 0.42 -0.17 -1.21 0.02 0.00 0.00 176.95 176.01 1qb3 s GLU 86 N -0.91 3.10 -0.10 4.98 2.02 -1.26 -4.96 118.70 121.57 1qb3 s GLU 86 Ca 0.40 -0.76 -0.25 0.00 0.02 0.00 0.00 54.97 54.38 1qb3 s GLU 86 Cb -0.24 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 1qb3 s GLU 86 CO 0.29 0.27 0.79 -1.58 0.02 0.00 0.00 175.26 175.06 1qb3 s HIS 87 N 0.16 3.52 0.14 1.61 5.65 -1.26 -5.06 115.29 120.05 1qb3 s HIS 87 Ca -0.10 1.30 0.06 0.00 0.25 0.00 0.00 55.06 56.57 1qb3 s HIS 87 Cb -0.16 -2.93 -0.04 0.00 -1.18 0.00 0.00 32.58 28.27 1qb3 s HIS 87 CO 0.06 -0.07 -0.13 1.52 -0.65 0.00 0.00 174.74 175.47 1qb3 s TYR 88 N 1.42 1.37 0.08 3.88 1.13 -1.26 -4.76 117.35 119.21 1qb3 s TYR 88 Ca 0.40 -0.62 -0.15 0.00 -1.41 0.00 0.00 57.07 55.29 1qb3 s TYR 88 Cb -0.18 -0.70 -0.16 0.00 -1.10 0.00 0.00 41.96 39.82 1qb3 s TYR 88 CO 0.17 0.14 1.28 0.93 -2.51 0.00 0.00 175.55 175.56 1qb3 h GLU 89 N 3.20 0.70 -2.71 -3.49 5.08 -1.96 -3.48 114.58 111.92 1qb3 h GLU 89 Ca -0.38 -0.57 -0.08 0.00 -1.00 0.00 0.00 59.36 57.33 1qb3 h GLU 89 Cb 1.20 0.12 -0.18 0.00 0.50 0.00 0.00 28.75 30.39 1qb3 h GLU 89 CO 0.56 1.18 -0.03 0.00 -1.00 0.00 0.00 179.01 179.72 1qb3 s HIS 91 N -1.91 3.39 0.45 0.00 2.46 -1.26 -5.11 115.29 113.32 1qb3 s HIS 91 Ca -0.08 -2.44 -0.24 0.00 0.47 0.00 0.00 55.06 52.77 1qb3 s HIS 91 Cb -0.02 -2.22 -0.07 0.00 -0.13 0.00 0.00 32.58 30.14 1qb3 s HIS 91 CO 0.02 -0.89 1.27 0.00 -2.47 0.00 0.00 174.74 172.67 1qb3 s ALA 92 N 1.07 3.08 1.03 1.58 0.00 -1.26 -5.03 121.76 122.23 1qb3 s ALA 92 Ca -0.03 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 1qb3 s ALA 92 Cb -0.20 -3.47 0.23 0.00 0.00 0.00 0.00 23.12 19.68 1qb3 s ALA 92 CO -0.05 -0.88 1.29 -1.25 0.00 0.00 0.00 175.76 174.86 1qb3 s PRO 93 N -2.52 0.13 0.30 0.00 0.04 -1.26 -4.99 135.00 126.69 1qb3 s PRO 93 Ca 0.62 -0.38 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 1qb3 s PRO 93 Cb -0.35 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 1qb3 s PRO 93 CO 0.44 -2.76 1.49 -1.21 0.04 0.00 0.00 177.00 175.00 1qb3 s GLU 94 N -5.81 4.19 0.61 4.56 2.02 -1.26 -4.86 118.70 118.14 1qb3 s GLU 94 Ca 0.74 2.45 0.18 0.00 0.02 0.00 0.00 54.97 58.36 1qb3 s GLU 94 Cb -0.05 -3.04 0.62 0.00 0.10 0.00 0.00 34.13 31.76 1qb3 s GLU 94 CO 0.54 -0.50 1.18 -2.30 0.02 0.00 0.00 175.26 174.21 1qb3 n PRO 95 N 1.69 0.02 0.08 0.39 -0.02 -1.26 -0.11 135.00 135.79 1qb3 n PRO 95 Ca 0.05 0.98 0.12 0.00 -2.02 0.00 0.00 63.50 62.64 1qb3 n PRO 95 Cb 0.39 -2.50 0.25 0.00 -0.02 0.00 0.00 33.50 31.62 1qb3 n PRO 95 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1qb3 n HIS 96 N -2.98 0.68 -3.58 6.00 1.44 -1.26 -4.75 115.22 110.77 1qb3 n HIS 96 Ca 0.16 0.20 -0.41 0.00 -2.01 0.00 0.00 57.72 55.66 1qb3 n HIS 96 Cb 1.35 -0.75 -0.11 0.00 0.12 0.00 0.00 29.99 30.60 1qb3 n HIS 96 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1qb3 s ILE 97 N -3.14 4.68 -0.21 0.61 1.01 0.84 -5.09 121.20 119.91 1qb3 s ILE 97 Ca 0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1qb3 s ILE 97 Cb 0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1qb3 s ILE 97 CO 0.68 -0.23 0.06 -0.76 0.00 0.00 0.00 174.94 174.69 1qb3 s LEU 98 N 1.58 3.62 0.17 2.97 1.02 -1.26 -4.64 118.68 122.13 1qb3 s LEU 98 Ca 0.03 -0.05 -0.26 0.00 0.02 0.00 0.00 54.13 53.86 1qb3 s LEU 98 Cb -0.19 -1.93 -0.08 0.00 0.02 0.00 0.00 46.19 44.01 1qb3 s LEU 98 CO 0.07 0.09 0.80 -0.76 0.02 0.00 0.00 176.35 176.57 1qb3 s LEU 99 N 0.87 4.60 0.26 1.79 1.43 -1.26 -5.09 118.68 121.28 1qb3 s LEU 99 Ca 0.03 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1qb3 s LEU 99 Cb -0.14 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1qb3 s LEU 99 CO 0.02 0.19 0.08 -0.36 0.23 0.00 0.00 176.35 176.52 1qb3 s PHE 100 N -1.10 1.57 -0.28 0.29 0.08 -1.26 -5.16 117.98 112.12 1qb3 s PHE 100 Ca 0.37 -1.13 -0.26 0.00 0.12 0.00 0.00 56.93 56.03 1qb3 s PHE 100 Cb -0.23 -0.94 0.18 0.00 -0.57 0.00 0.00 43.02 41.45 1qb3 s PHE 100 CO 0.27 -0.27 1.33 -1.59 -0.10 0.00 0.00 175.22 174.86 1qb3 s LYS 101 N -4.00 0.17 0.05 0.44 -2.85 -1.26 -5.16 119.74 107.12 1qb3 s LYS 101 Ca 0.36 0.15 0.06 0.00 -1.00 0.00 0.00 55.97 55.54 1qb3 s LYS 101 Cb 0.08 0.08 -0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1qb3 s LYS 101 CO 0.13 -0.03 -0.16 -0.98 0.10 0.00 0.00 175.35 174.41 1qb3 s ARG 102 N -0.20 1.03 0.26 1.78 1.70 -1.26 -5.12 118.95 117.14 1qb3 s ARG 102 Ca 0.06 -0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 1qb3 s ARG 102 Cb -0.04 -1.08 -0.10 0.00 -0.57 0.00 0.00 34.95 33.16 1qb3 s ARG 102 CO -0.12 0.27 1.49 -2.14 -1.08 0.00 0.00 175.30 173.72 1qb3 s PRO 103 N -1.22 4.22 0.56 3.89 0.02 -1.26 -4.87 135.00 136.34 1qb3 s PRO 103 Ca 0.03 2.39 0.37 0.00 0.02 0.00 0.00 61.00 63.80 1qb3 s PRO 103 Cb -0.08 -3.09 1.50 0.00 0.02 0.00 0.00 34.50 32.85 1qb3 s PRO 103 CO 0.02 -0.50 1.72 -0.07 -0.33 0.00 0.00 177.00 177.84 1qb3 h LEU 104 N 5.10 0.00 -4.91 -5.54 3.38 -2.07 0.26 115.31 111.53 1qb3 h LEU 104 Ca -0.46 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.79 1qb3 h LEU 104 Cb 1.22 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.66 1qb3 h LEU 104 CO 0.79 0.00 0.57 -0.46 0.09 0.00 0.00 178.44 179.43 1qb3 n ASN 105 N -3.96 6.74 0.21 -0.43 6.94 -1.26 -4.64 115.26 118.86 1qb3 n ASN 105 Ca 0.26 -3.80 0.06 0.00 -0.02 0.00 0.00 54.58 51.08 1qb3 n ASN 105 Cb 1.32 -0.90 0.45 0.00 -2.36 0.00 0.00 39.78 38.29 1qb3 n ASN 105 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1qb3 h TYR 106 N 2.92 0.00 0.12 -2.53 -0.00 -0.83 -3.09 116.97 113.56 1qb3 h TYR 106 Ca 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.22 1qb3 h TYR 106 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.01 1qb3 h TYR 106 CO 1.08 0.30 -0.06 0.93 -0.00 0.00 0.00 178.16 180.42 1qb3 h GLU 107 N 0.00 -0.16 -0.82 0.10 5.08 -1.84 -2.09 114.58 114.85 1qb3 h GLU 107 Ca -0.00 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 1qb3 h GLU 107 Cb 0.63 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.78 1qb3 h GLU 107 CO 0.04 0.22 0.12 0.00 -1.00 0.00 0.00 179.01 178.39 1qb3 h ALA 108 N 0.21 1.03 -0.05 3.43 0.00 -1.92 0.79 119.26 122.75 1qb3 h ALA 108 Ca -0.02 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1qb3 h ALA 108 Cb 0.46 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1qb3 h ALA 108 CO 0.03 -0.44 -0.36 0.93 0.00 0.00 0.00 179.25 179.41 1qb3 h GLU 109 N 0.16 0.10 0.12 0.00 5.08 -1.45 0.50 114.58 119.09 1qb3 h GLU 109 Ca 0.48 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.51 1qb3 h GLU 109 Cb 0.91 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1qb3 h GLU 109 CO -0.66 0.45 -1.41 -0.07 -1.00 0.00 0.00 179.01 176.32 1qb3 h LEU 110 N 0.09 0.40 -1.31 1.33 3.38 -0.06 -2.58 115.31 116.56 1qb3 h LEU 110 Ca 0.01 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1qb3 h LEU 110 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1qb3 h LEU 110 CO 0.05 1.40 -0.25 -0.09 0.09 0.00 0.00 178.44 179.64 1qb3 h ARG 111 N 0.07 0.15 0.05 1.13 2.43 0.85 1.07 114.38 120.13 1qb3 h ARG 111 Ca -0.20 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1qb3 h ARG 111 Cb 2.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 1qb3 h ARG 111 CO 0.18 0.40 -0.02 0.00 -1.51 0.00 0.00 179.97 179.01 1qb3 h ALA 112 N 1.61 -0.06 -0.13 2.80 0.00 0.04 -1.73 119.26 121.78 1qb3 h ALA 112 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qb3 h ALA 112 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qb3 h ALA 112 CO 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1qb3 n ALA 113 N -2.23 2.53 0.03 0.00 0.00 -0.90 -2.96 120.51 116.98 1qb3 n ALA 113 Ca -0.08 -0.38 -0.20 0.00 0.00 0.00 0.00 53.44 52.78 1qb3 n ALA 113 Cb 0.14 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1qb3 n ALA 113 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qb3 h THR 114 N 1.42 1.51 0.00 0.00 2.02 0.21 -3.23 112.91 114.83 1qb3 h THR 114 Ca 0.00 -2.51 -0.23 0.00 0.77 0.00 0.00 66.41 64.44 1qb3 h THR 114 Cb 0.31 3.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.87 1qb3 h THR 114 CO 0.00 0.70 -1.19 0.00 0.37 0.00 0.00 175.52 175.40 1qb3 h ALA 115 N 0.06 0.50 -0.83 6.16 0.00 -1.62 -3.34 119.26 120.19 1qb3 h ALA 115 Ca -0.14 -1.04 0.11 0.00 0.00 0.00 0.00 54.91 53.84 1qb3 h ALA 115 Cb 1.59 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1qb3 h ALA 115 CO 0.13 1.30 -0.45 0.00 0.00 0.00 0.00 179.25 180.23 1qb3 h ALA 116 N 1.04 -0.18 0.00 0.00 0.00 -1.63 -2.61 119.26 115.88 1qb3 h ALA 116 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qb3 h ALA 116 Cb 1.81 1.07 0.00 0.00 0.00 0.00 0.00 17.79 20.67 1qb3 h ALA 116 CO 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1qb3 n ALA 117 N -3.30 0.00 0.00 0.00 0.00 -1.22 -5.09 120.51 110.91 1qb3 n ALA 117 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1qb3 n ALA 117 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1qb3 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50