#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb5 n ALA 2 N 0.00 0.01 -1.20 4.61 0.00 -1.26 -4.95 120.51 117.72 1qb5 n ALA 2 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 1qb5 n ALA 2 Cb 0.00 -2.06 0.12 0.00 0.00 0.00 0.00 19.45 17.50 1qb5 n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qb5 s SER 3 N -1.10 3.96 0.24 0.00 1.04 -1.26 -4.82 113.70 111.76 1qb5 s SER 3 Ca 0.71 1.70 -0.05 0.00 0.48 0.00 0.00 55.95 58.79 1qb5 s SER 3 Cb -0.45 -2.38 0.37 0.00 0.10 0.00 0.00 66.02 63.66 1qb5 s SER 3 CO 0.51 -2.36 1.80 -0.61 0.98 0.00 0.00 173.24 173.56 1qb5 h GLN 4 N -1.36 0.71 -0.05 4.02 5.75 -1.99 -1.38 115.11 120.82 1qb5 h GLN 4 Ca -0.46 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.03 1qb5 h GLN 4 Cb 1.26 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 1qb5 h GLN 4 CO 0.52 0.47 -0.19 0.35 -2.65 0.00 0.00 178.83 177.33 1qb5 h PHE 5 N 0.73 -0.49 0.44 3.99 3.57 -1.99 0.12 116.94 123.31 1qb5 h PHE 5 Ca 0.38 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1qb5 h PHE 5 Cb 0.35 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1qb5 h PHE 5 CO -0.07 -0.27 -0.21 0.35 -2.23 0.00 0.00 178.31 175.88 1qb5 h PHE 6 N -0.28 -0.55 -0.55 0.41 3.57 -1.87 0.67 116.94 118.34 1qb5 h PHE 6 Ca 0.07 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.67 1qb5 h PHE 6 Cb 0.38 0.18 -0.11 0.00 2.79 0.00 0.00 35.95 39.19 1qb5 h PHE 6 CO -0.26 -0.31 -0.18 0.87 -2.23 0.00 0.00 178.31 176.21 1qb5 h LYS 7 N -0.65 -0.04 -0.22 1.11 1.57 -1.13 0.37 116.57 117.58 1qb5 h LYS 7 Ca -0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1qb5 h LYS 7 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1qb5 h LYS 7 CO 0.10 -0.03 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.11 1qb5 h ASP 8 N -0.04 0.54 1.00 0.86 5.19 -0.35 -1.54 116.42 122.07 1qb5 h ASP 8 Ca 0.26 -0.24 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 1qb5 h ASP 8 Cb 0.44 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 1qb5 h ASP 8 CO -0.59 0.88 -0.57 0.78 -3.12 0.00 0.00 179.24 176.62 1qb5 h ASN 9 N 0.42 0.00 0.81 6.45 -0.26 -0.24 -3.14 115.58 119.63 1qb5 h ASN 9 Ca 0.04 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.53 1qb5 h ASN 9 Cb 0.88 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 1qb5 h ASN 9 CO 0.08 0.57 -1.13 0.00 -1.06 0.00 0.00 177.43 175.89 1qb5 h ASN 11 N 0.04 0.44 -0.28 0.00 -0.26 -1.25 -2.37 115.58 111.90 1qb5 h ASN 11 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1qb5 h ASN 11 Cb 1.87 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 39.04 1qb5 h ASN 11 CO 0.17 0.28 0.00 0.54 -1.06 0.00 0.00 177.43 177.36 1qb5 n ARG 12 N -4.48 2.83 -4.74 0.81 1.74 -1.19 -4.84 116.66 106.79 1qb5 n ARG 12 Ca 0.09 -1.49 -0.33 0.00 -0.77 0.00 0.00 57.85 55.35 1qb5 n ARG 12 Cb 0.29 -1.84 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 1qb5 n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qb5 s THR 13 N -1.83 0.95 -2.01 0.55 -4.23 -0.89 -5.05 115.64 103.14 1qb5 s THR 13 Ca 0.26 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.93 1qb5 s THR 13 Cb 0.20 -2.07 0.47 0.00 1.34 0.00 0.00 72.50 72.43 1qb5 s THR 13 CO 0.08 0.00 1.39 0.35 -0.54 0.00 0.00 174.62 175.90 1qb5 n THR 14 N -1.25 0.70 -3.21 3.99 -2.24 -1.26 -4.92 114.28 106.09 1qb5 n THR 14 Ca -0.19 -0.71 -0.20 0.00 -2.27 0.00 0.00 64.05 60.68 1qb5 n THR 14 Cb 0.67 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 1qb5 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qb5 s ALA 15 N -1.30 4.60 0.14 6.98 0.00 -1.26 -4.80 121.76 126.12 1qb5 s ALA 15 Ca 0.35 -1.92 0.11 0.00 0.00 0.00 0.00 51.96 50.51 1qb5 s ALA 15 Cb 0.18 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1qb5 s ALA 15 CO 0.24 -0.67 -0.27 -1.54 0.00 0.00 0.00 175.76 173.53 1qb5 s SER 16 N -4.52 3.33 -0.00 0.00 1.04 0.32 -4.88 113.70 108.99 1qb5 s SER 16 Ca 0.55 -0.76 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 1qb5 s SER 16 Cb -0.06 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 1qb5 s SER 16 CO 0.34 0.17 0.70 -0.22 0.98 0.00 0.00 173.24 175.22 1qb5 s LEU 17 N -2.14 4.40 -0.15 2.42 2.96 -1.26 -0.91 118.68 124.00 1qb5 s LEU 17 Ca 0.15 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 1qb5 s LEU 17 Cb -0.10 -3.11 0.02 0.00 0.50 0.00 0.00 46.19 43.50 1qb5 s LEU 17 CO 0.06 -0.00 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.25 1qb5 s VAL 18 N 0.16 1.68 0.02 1.68 1.01 0.17 -4.98 120.40 120.14 1qb5 s VAL 18 Ca 0.36 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1qb5 s VAL 18 Cb -0.19 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1qb5 s VAL 18 CO 0.20 0.48 -0.08 -0.70 0.00 0.00 0.00 175.10 175.00 1qb5 s GLU 19 N 1.35 2.46 -1.33 2.72 2.12 -1.26 0.55 118.70 125.30 1qb5 s GLU 19 Ca 0.03 -0.79 -0.08 0.00 0.36 0.00 0.00 54.97 54.49 1qb5 s GLU 19 Cb -0.13 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.82 1qb5 s GLU 19 CO -0.09 0.58 1.16 0.41 -0.54 0.00 0.00 175.26 176.78 1qb5 n GLY 20 N 1.41 -0.52 3.74 -1.50 0.00 -1.05 -4.97 105.19 102.30 1qb5 n GLY 20 Ca -0.15 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1qb5 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qb5 s VAL 21 N -3.32 4.68 -0.34 1.61 1.01 0.41 -4.79 120.40 119.66 1qb5 s VAL 21 Ca 0.52 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 64.14 1qb5 s VAL 21 Cb -0.23 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1qb5 s VAL 21 CO 0.73 0.34 0.29 -1.61 0.00 0.00 0.00 175.10 174.84 1qb5 s GLU 22 N 0.04 3.56 -0.09 2.72 0.41 -1.26 -1.24 118.70 122.85 1qb5 s GLU 22 Ca 0.42 -0.51 -0.21 0.00 -0.41 0.00 0.00 54.97 54.25 1qb5 s GLU 22 Cb -0.21 -3.79 -0.04 0.00 -1.78 0.00 0.00 34.13 28.30 1qb5 s GLU 22 CO 0.25 -0.46 0.62 -0.51 -0.49 0.00 0.00 175.26 174.67 1qb5 s LEU 23 N 1.85 4.30 0.00 1.80 1.43 -1.26 -0.76 118.68 126.04 1qb5 s LEU 23 Ca 0.09 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1qb5 s LEU 23 Cb -0.17 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1qb5 s LEU 23 CO 0.11 -0.08 0.00 0.35 0.23 0.00 0.00 176.35 176.96 1qb5 n THR 24 N 3.76 0.00 -4.10 5.49 -2.24 -0.13 -4.17 114.28 112.89 1qb5 n THR 24 Ca -0.03 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1qb5 n THR 24 Cb 0.51 0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 1qb5 n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qb5 s LYS 25 N -1.04 0.60 -0.08 -0.78 1.02 -1.05 -5.01 119.74 113.40 1qb5 s LYS 25 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1qb5 s LYS 25 Cb 0.00 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 36.89 1qb5 s LYS 25 CO 0.00 0.09 -0.05 -0.47 -0.92 0.00 0.00 175.35 174.00 1qb5 s TYR 26 N -1.26 1.06 -0.05 3.18 5.04 -1.26 -2.10 117.35 121.96 1qb5 s TYR 26 Ca -0.07 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.21 1qb5 s TYR 26 Cb -0.09 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.27 1qb5 s TYR 26 CO 0.01 -0.34 -0.24 0.42 -1.34 0.00 0.00 175.55 174.06 1qb5 s ILE 27 N 1.40 1.98 -0.10 3.14 1.01 0.67 -5.00 121.20 124.30 1qb5 s ILE 27 Ca -0.02 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.63 1qb5 s ILE 27 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1qb5 s ILE 27 CO -0.03 0.55 -0.24 -0.55 0.00 0.00 0.00 174.94 174.67 1qb5 s SER 28 N -0.19 3.08 -0.03 3.58 0.15 -1.26 -1.27 113.70 117.75 1qb5 s SER 28 Ca -0.02 -0.56 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 1qb5 s SER 28 Cb -0.13 -1.40 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 1qb5 s SER 28 CO 0.03 0.16 0.01 -0.62 1.20 0.00 0.00 173.24 174.02 1qb5 s ASP 29 N 0.36 0.63 -0.06 5.45 -1.08 -0.50 -5.01 116.67 116.45 1qb5 s ASP 29 Ca -0.19 -0.01 0.11 0.00 -0.52 0.00 0.00 52.55 51.95 1qb5 s ASP 29 Cb -0.18 -0.21 0.27 0.00 -1.46 0.00 0.00 42.92 41.34 1qb5 s ASP 29 CO 0.09 -0.14 1.20 2.30 0.52 0.00 0.00 175.17 179.14 1qb5 n ILE 30 N 4.45 1.46 -2.06 4.11 -5.35 -1.26 -1.55 119.36 119.16 1qb5 n ILE 30 Ca -0.21 -1.44 -0.37 0.00 -0.27 0.00 0.00 62.75 60.47 1qb5 n ILE 30 Cb 0.50 0.19 0.02 0.00 -1.74 0.00 0.00 39.64 38.61 1qb5 n ILE 30 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1qb5 s ASN 31 N -1.56 5.51 0.18 7.28 0.01 -1.26 -4.79 114.94 120.31 1qb5 s ASN 31 Ca 0.23 2.41 -0.14 0.00 -0.71 0.00 0.00 52.86 54.65 1qb5 s ASN 31 Cb 0.17 -2.60 0.17 0.00 0.41 0.00 0.00 41.25 39.40 1qb5 s ASN 31 CO 0.08 -1.38 1.68 -1.13 -1.51 0.00 0.00 177.10 174.84 1qb5 h ASN 32 N 1.32 -0.25 0.16 -1.22 -0.73 -2.00 -0.50 115.58 112.37 1qb5 h ASN 32 Ca -0.50 0.12 0.00 0.00 1.87 0.00 0.00 56.30 57.79 1qb5 h ASN 32 Cb 1.28 0.22 0.00 0.00 0.27 0.00 0.00 38.32 40.10 1qb5 h ASN 32 CO 0.57 -0.09 -0.56 0.59 -0.37 0.00 0.00 177.43 177.57 1qb5 n ASN 33 N -5.25 1.19 -0.37 1.15 3.02 -1.26 -4.24 115.26 109.50 1qb5 n ASN 33 Ca 0.05 -0.96 0.05 0.00 -0.03 0.00 0.00 54.58 53.69 1qb5 n ASN 33 Cb 0.26 0.48 0.04 0.00 -0.61 0.00 0.00 39.78 39.95 1qb5 n ASN 33 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1qb5 n THR 34 N -0.87 0.00 -1.41 3.41 -1.04 -0.89 -5.04 114.28 108.43 1qb5 n THR 34 Ca 0.08 -0.50 -0.60 0.00 -2.04 0.00 0.00 64.05 60.99 1qb5 n THR 34 Cb 0.37 1.19 -0.10 0.00 -1.82 0.00 0.00 70.33 69.98 1qb5 n THR 34 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1qb5 n ASP 35 N 0.51 1.22 0.00 8.00 2.03 -0.25 -4.81 116.55 123.25 1qb5 n ASP 35 Ca 0.05 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.13 1qb5 n ASP 35 Cb 0.23 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1qb5 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qb5 n GLY 36 N 6.41 -1.60 3.44 0.27 0.00 -0.59 -5.02 105.19 108.09 1qb5 n GLY 36 Ca 0.46 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1qb5 n GLY 36 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qb5 s MET 37 N -1.70 3.27 0.07 1.61 -1.94 -1.26 -1.41 119.30 117.93 1qb5 s MET 37 Ca 0.00 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 1qb5 s MET 37 Cb 0.00 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 1qb5 s MET 37 CO 0.00 0.32 -0.09 0.71 -0.01 0.00 0.00 175.02 175.95 1qb5 s TYR 38 N 0.08 0.87 0.09 -0.03 2.02 -0.40 -1.05 117.35 118.94 1qb5 s TYR 38 Ca -0.04 -0.59 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 1qb5 s TYR 38 Cb -0.14 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 1qb5 s TYR 38 CO 0.04 -0.05 -0.21 0.14 -1.57 0.00 0.00 175.55 173.90 1qb5 s VAL 39 N -1.95 1.72 -0.04 0.71 -7.23 -0.51 -0.24 120.40 112.86 1qb5 s VAL 39 Ca -0.02 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1qb5 s VAL 39 Cb -0.06 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.33 1qb5 s VAL 39 CO -0.00 0.02 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.94 1qb5 s VAL 40 N -1.06 1.46 0.58 1.32 1.01 -0.89 -1.06 120.40 121.76 1qb5 s VAL 40 Ca 0.07 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1qb5 s VAL 40 Cb -0.10 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.08 1qb5 s VAL 40 CO 0.04 0.42 0.81 -0.94 0.00 0.00 0.00 175.10 175.43 1qb5 s SER 41 N -0.01 5.12 0.55 3.32 1.04 0.08 -0.96 113.70 122.84 1qb5 s SER 41 Ca -0.03 -0.11 0.37 0.00 0.48 0.00 0.00 55.95 56.66 1qb5 s SER 41 Cb -0.11 -0.69 1.95 0.00 0.10 0.00 0.00 66.02 67.27 1qb5 s SER 41 CO 0.02 -1.27 2.13 0.77 0.98 0.00 0.00 173.24 175.87 1qb5 h SER 42 N -0.02 0.00 -0.53 7.02 4.64 -1.29 0.10 113.55 123.47 1qb5 h SER 42 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1qb5 h SER 42 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1qb5 h SER 42 CO 0.50 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.81 1qb5 n THR 43 N -2.84 2.03 -0.88 2.95 -2.24 -1.26 -4.96 114.28 107.08 1qb5 n THR 43 Ca -0.02 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 1qb5 n THR 43 Cb 0.09 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1qb5 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qb5 n GLY 44 N 0.66 0.53 3.77 3.38 0.00 0.02 -5.00 105.19 108.55 1qb5 n GLY 44 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1qb5 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qb5 s GLY 45 N -2.00 2.39 -0.02 -0.02 0.00 -1.26 -4.74 107.32 101.67 1qb5 s GLY 45 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 44.72 45.43 1qb5 s GLY 45 CO 0.00 1.03 -0.14 0.14 0.00 0.00 0.00 173.10 174.12 1qb5 s VAL 46 N -2.06 1.17 0.06 1.40 1.01 -1.26 -0.74 120.40 119.97 1qb5 s VAL 46 Ca 0.70 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1qb5 s VAL 46 Cb -0.22 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1qb5 s VAL 46 CO 0.34 0.34 -0.09 0.26 0.00 0.00 0.00 175.10 175.95 1qb5 s TRP 47 N -0.15 0.79 -0.11 5.22 0.51 -0.23 -3.89 118.94 121.08 1qb5 s TRP 47 Ca 0.02 -0.55 -0.14 0.00 -2.12 0.00 0.00 56.10 53.30 1qb5 s TRP 47 Cb -0.08 -0.46 -0.05 0.00 -0.81 0.00 0.00 33.47 32.07 1qb5 s TRP 47 CO 0.00 -0.07 0.35 0.50 -0.51 0.00 0.00 176.95 177.22 1qb5 s ARG 48 N -1.93 4.13 0.07 4.98 3.52 0.79 -1.42 118.95 129.09 1qb5 s ARG 48 Ca -0.06 0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.48 1qb5 s ARG 48 Cb -0.08 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1qb5 s ARG 48 CO 0.00 0.37 0.91 0.42 -0.81 0.00 0.00 175.30 176.19 1qb5 s ILE 49 N 0.03 4.64 0.80 4.11 1.01 -0.22 -0.89 121.20 130.68 1qb5 s ILE 49 Ca 0.20 1.96 -0.14 0.00 0.00 0.00 0.00 60.65 62.67 1qb5 s ILE 49 Cb -0.14 -4.27 0.07 0.00 0.01 0.00 0.00 42.46 38.12 1qb5 s ILE 49 CO 0.07 0.30 1.11 -1.20 0.00 0.00 0.00 174.94 175.22 1qb5 n SER 50 N 3.03 0.72 -4.17 3.58 7.64 -1.23 -4.67 113.62 118.52 1qb5 n SER 50 Ca 0.02 0.59 -0.12 0.00 1.01 0.00 0.00 58.87 60.37 1qb5 n SER 50 Cb 0.50 -1.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.13 1qb5 n SER 50 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1qb5 s ARG 51 N -3.93 0.83 -0.10 1.43 3.00 -1.26 -4.85 118.95 114.08 1qb5 s ARG 51 Ca 0.72 -1.27 -0.15 0.00 -1.00 0.00 0.00 55.73 54.03 1qb5 s ARG 51 Cb -0.30 -0.30 0.03 0.00 0.00 0.00 0.00 34.95 34.39 1qb5 s ARG 51 CO 0.52 0.01 0.38 0.00 0.00 0.00 0.00 175.30 176.21 1qb5 s ALA 52 N -3.24 -0.96 -0.11 6.12 0.00 -1.26 -5.03 121.76 117.28 1qb5 s ALA 52 Ca 0.09 0.85 0.09 0.00 0.00 0.00 0.00 51.96 52.99 1qb5 s ALA 52 Cb 0.03 -0.36 -0.24 0.00 0.00 0.00 0.00 23.12 22.55 1qb5 s ALA 52 CO -0.03 -0.22 0.40 1.17 0.00 0.00 0.00 175.76 177.07 1qb5 n LYS 53 N 2.19 0.67 -4.19 0.00 4.81 -1.26 -4.17 118.16 116.22 1qb5 n LYS 53 Ca -0.16 0.21 -0.26 0.00 -0.87 0.00 0.00 58.31 57.23 1qb5 n LYS 53 Cb 0.57 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.85 1qb5 n LYS 53 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1qb5 s ASP 54 N -6.20 4.93 0.48 3.14 1.01 -1.26 -4.79 116.67 113.99 1qb5 s ASP 54 Ca -0.12 -0.36 -0.24 0.00 0.71 0.00 0.00 52.55 52.54 1qb5 s ASP 54 Cb 0.07 -1.10 -0.07 0.00 1.01 0.00 0.00 42.92 42.83 1qb5 s ASP 54 CO 0.80 0.07 1.38 -0.47 0.21 0.00 0.00 175.17 177.16 1qb5 s TYR 55 N -1.82 2.43 -2.63 4.23 5.04 -1.26 -1.64 117.35 121.71 1qb5 s TYR 55 Ca 0.29 1.32 0.25 0.00 -2.44 0.00 0.00 57.07 56.50 1qb5 s TYR 55 Cb -0.09 -3.84 0.50 0.00 0.35 0.00 0.00 41.96 38.88 1qb5 s TYR 55 CO 0.20 -2.82 1.43 -0.35 -1.34 0.00 0.00 175.55 172.67 1qb5 n PRO 56 N -0.50 1.86 0.25 4.97 -0.04 -1.26 -4.85 135.00 135.44 1qb5 n PRO 56 Ca 0.07 -1.39 0.14 0.00 -0.04 0.00 0.00 63.50 62.28 1qb5 n PRO 56 Cb 0.43 -1.47 0.60 0.00 -0.04 0.00 0.00 33.50 33.02 1qb5 n PRO 56 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1qb5 h ASP 57 N 3.39 0.00 -0.54 3.54 3.32 -1.80 -2.20 116.42 122.13 1qb5 h ASP 57 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1qb5 h ASP 57 Cb 0.77 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1qb5 h ASP 57 CO 0.00 0.10 0.36 -0.55 -1.72 0.00 0.00 179.24 177.43 1qb5 h ASN 58 N 0.00 0.61 -0.19 6.45 -1.07 -1.47 -0.22 115.58 119.68 1qb5 h ASN 58 Ca -0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 56.30 56.30 1qb5 h ASN 58 Cb 0.59 -0.15 -0.00 0.00 -2.07 0.00 0.00 38.32 36.68 1qb5 h ASN 58 CO 0.01 0.44 -0.10 0.58 0.07 0.00 0.00 177.43 178.44 1qb5 h VAL 59 N 0.72 1.31 -0.61 6.14 2.07 -1.69 -2.09 116.25 122.10 1qb5 h VAL 59 Ca 0.20 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 1qb5 h VAL 59 Cb -0.05 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1qb5 h VAL 59 CO -0.05 0.35 0.06 0.24 0.02 0.00 0.00 177.57 178.19 1qb5 h MET 60 N 0.09 1.03 0.00 1.57 2.86 -1.36 -1.65 114.93 117.47 1qb5 h MET 60 Ca 0.04 -0.30 -0.16 0.00 -2.06 0.00 0.00 59.70 57.22 1qb5 h MET 60 Cb 0.58 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1qb5 h MET 60 CO 0.03 0.99 -0.77 1.79 1.06 0.00 0.00 176.91 180.01 1qb5 h THR 61 N 0.94 1.51 -0.74 2.22 1.35 -1.09 -0.72 112.91 116.37 1qb5 h THR 61 Ca 0.18 -2.67 -0.02 0.00 -0.55 0.00 0.00 66.41 63.35 1qb5 h THR 61 Cb 0.48 2.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.32 1qb5 h THR 61 CO 0.02 0.75 0.40 0.00 -0.25 0.00 0.00 175.52 176.45 1qb5 h ALA 62 N 1.23 1.31 -0.11 6.62 0.00 -1.12 -2.26 119.26 124.92 1qb5 h ALA 62 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1qb5 h ALA 62 Cb 1.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1qb5 h ALA 62 CO 0.10 0.56 -0.61 0.93 0.00 0.00 0.00 179.25 180.23 1qb5 h GLU 63 N 1.04 0.40 -0.95 0.00 4.39 -0.73 -2.35 114.58 116.38 1qb5 h GLU 63 Ca 0.26 -0.27 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1qb5 h GLU 63 Cb 0.03 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1qb5 h GLU 63 CO -0.04 0.89 0.60 0.52 -1.16 0.00 0.00 179.01 179.81 1qb5 h MET 64 N 0.29 1.02 -0.67 2.33 2.86 -0.73 0.49 114.93 120.53 1qb5 h MET 64 Ca -0.01 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1qb5 h MET 64 Cb 1.14 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 1qb5 h MET 64 CO 0.10 0.67 0.16 0.00 1.06 0.00 0.00 176.91 178.91 1qb5 h ARG 65 N 1.05 1.07 -0.57 1.72 3.08 -1.13 -0.71 114.38 118.88 1qb5 h ARG 65 Ca 0.42 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 1qb5 h ARG 65 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1qb5 h ARG 65 CO -0.20 0.96 -0.07 0.87 -1.07 0.00 0.00 179.97 180.46 1qb5 h LYS 66 N 1.00 1.06 -0.28 0.04 1.57 -0.81 -1.13 116.57 118.02 1qb5 h LYS 66 Ca 0.21 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1qb5 h LYS 66 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1qb5 h LYS 66 CO 0.00 1.07 0.09 0.82 -0.57 0.00 0.00 179.45 180.86 1qb5 h ILE 67 N 0.95 1.20 -0.59 1.86 2.04 -0.78 0.02 117.51 122.20 1qb5 h ILE 67 Ca 0.15 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1qb5 h ILE 67 Cb 0.64 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1qb5 h ILE 67 CO 0.04 0.21 0.21 0.00 0.00 0.00 0.00 178.15 178.61 1qb5 h ALA 68 N 0.92 0.77 -0.37 1.87 0.00 -1.00 -0.84 119.26 120.61 1qb5 h ALA 68 Ca 0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1qb5 h ALA 68 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qb5 h ALA 68 CO -0.00 0.41 -0.30 1.98 0.00 0.00 0.00 179.25 181.33 1qb5 h MET 69 N 0.82 0.80 -0.87 0.00 1.85 -1.15 -2.29 114.93 114.09 1qb5 h MET 69 Ca 0.19 -0.37 -0.01 0.00 -0.61 0.00 0.00 59.70 58.91 1qb5 h MET 69 Cb 0.24 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 1qb5 h MET 69 CO -0.01 0.99 0.50 0.00 -0.40 0.00 0.00 176.91 177.99 1qb5 h ALA 70 N 0.98 1.25 -0.37 0.39 0.00 -0.70 -1.81 119.26 118.99 1qb5 h ALA 70 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1qb5 h ALA 70 Cb 0.84 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qb5 h ALA 70 CO 0.07 0.63 0.15 0.00 0.00 0.00 0.00 179.25 180.10 1qb5 h ALA 71 N 1.34 0.48 -0.72 0.00 0.00 -0.99 -1.39 119.26 117.98 1qb5 h ALA 71 Ca 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1qb5 h ALA 71 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1qb5 h ALA 71 CO -0.05 0.08 0.34 0.28 0.00 0.00 0.00 179.25 179.89 1qb5 h VAL 72 N 0.45 1.24 0.00 0.00 2.07 -1.12 0.81 116.25 119.70 1qb5 h VAL 72 Ca 0.12 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 1qb5 h VAL 72 Cb 0.18 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1qb5 h VAL 72 CO -0.01 0.28 -0.42 -0.07 0.02 0.00 0.00 177.57 177.37 1qb5 h LEU 73 N 1.01 0.00 0.00 2.57 3.38 -1.19 -3.35 115.31 117.73 1qb5 h LEU 73 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qb5 h LEU 73 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qb5 h LEU 73 CO -0.03 0.42 -0.62 -1.54 0.09 0.00 0.00 178.44 176.76 1qb5 n SER 74 N -3.36 1.27 0.00 -0.43 3.41 -0.54 -5.00 113.62 108.98 1qb5 n SER 74 Ca 0.01 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1qb5 n SER 74 Cb 0.61 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.66 1qb5 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qb5 n GLY 75 N 1.45 1.17 3.76 5.00 0.00 0.27 -5.01 105.19 111.82 1qb5 n GLY 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qb5 n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qb5 s MET 76 N -0.12 4.21 0.58 1.61 -1.94 -1.24 -4.95 119.30 117.46 1qb5 s MET 76 Ca 0.00 2.41 -0.06 0.00 -1.71 0.00 0.00 55.69 56.33 1qb5 s MET 76 Cb 0.00 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1qb5 s MET 76 CO 0.00 -0.46 0.89 1.03 -0.01 0.00 0.00 175.02 176.47 1qb5 s ARG 77 N -0.93 3.02 0.14 2.03 3.00 -1.25 -4.61 118.95 120.36 1qb5 s ARG 77 Ca 0.58 0.06 0.06 0.00 0.00 0.00 0.00 55.73 56.43 1qb5 s ARG 77 Cb -0.44 -2.27 -0.04 0.00 0.00 0.00 0.00 34.95 32.20 1qb5 s ARG 77 CO 0.49 -0.64 -0.14 0.14 0.00 0.00 0.00 175.30 175.16 1qb5 s VAL 78 N -2.97 1.43 -0.03 3.52 -7.23 -0.37 -2.13 120.40 112.62 1qb5 s VAL 78 Ca 0.53 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1qb5 s VAL 78 Cb -0.11 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1qb5 s VAL 78 CO 0.46 -0.48 -0.09 0.20 -0.31 0.00 0.00 175.10 174.88 1qb5 s ASN 79 N -2.71 4.45 0.07 4.85 0.01 -0.13 -0.44 114.94 121.03 1qb5 s ASN 79 Ca 0.13 -0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1qb5 s ASN 79 Cb -0.03 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.58 1qb5 s ASN 79 CO 0.04 0.32 -0.14 -0.04 -1.51 0.00 0.00 177.10 175.76 1qb5 s MET 80 N -1.09 0.83 -0.42 -0.60 -1.94 0.19 -1.15 119.30 115.12 1qb5 s MET 80 Ca 0.14 -0.93 -0.02 0.00 -1.71 0.00 0.00 55.69 53.18 1qb5 s MET 80 Cb -0.11 -0.84 0.11 0.00 2.01 0.00 0.00 34.83 36.01 1qb5 s MET 80 CO 0.04 0.19 0.21 0.00 -0.01 0.00 0.00 175.02 175.44 1qb5 s ALA 82 N 0.98 2.18 -0.25 0.00 0.00 -0.09 -0.72 121.76 123.86 1qb5 s ALA 82 Ca 0.09 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1qb5 s ALA 82 Cb -0.22 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1qb5 s ALA 82 CO -0.05 0.46 0.70 0.45 0.00 0.00 0.00 175.76 177.33 1qb5 s SER 83 N -0.33 6.67 -0.04 0.00 0.15 -0.08 -0.52 113.70 119.54 1qb5 s SER 83 Ca 0.02 0.82 0.04 0.00 0.70 0.00 0.00 55.95 57.52 1qb5 s SER 83 Cb -0.12 -2.37 0.19 0.00 -1.71 0.00 0.00 66.02 62.00 1qb5 s SER 83 CO 0.02 -0.43 0.88 -0.81 1.20 0.00 0.00 173.24 174.10 1qb5 n PRO 84 N 5.83 1.80 0.24 5.44 -0.04 -1.26 -2.40 135.00 144.61 1qb5 n PRO 84 Ca 0.02 -0.72 0.12 0.00 -0.04 0.00 0.00 63.50 62.88 1qb5 n PRO 84 Cb 0.48 -1.55 0.57 0.00 -0.04 0.00 0.00 33.50 32.97 1qb5 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qb5 h ALA 85 N 2.68 1.06 -1.82 0.55 0.00 -1.94 -3.44 119.26 116.36 1qb5 h ALA 85 Ca 0.00 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.22 1qb5 h ALA 85 Cb 0.70 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1qb5 h ALA 85 CO 0.09 0.19 -0.53 -1.12 0.00 0.00 0.00 179.25 177.88 1qb5 s SER 86 N -6.05 4.58 -0.18 0.00 0.01 -1.26 -5.10 113.70 105.69 1qb5 s SER 86 Ca -0.00 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1qb5 s SER 86 Cb 0.10 -0.65 0.05 0.00 0.21 0.00 0.00 66.02 65.74 1qb5 s SER 86 CO 0.60 -0.35 -0.03 -0.44 0.41 0.00 0.00 173.24 173.43 1qb5 s SER 87 N -3.85 3.04 0.82 2.44 0.01 -1.26 -3.21 113.70 111.69 1qb5 s SER 87 Ca 0.38 -0.80 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 1qb5 s SER 87 Cb -0.01 -0.89 0.09 0.00 0.21 0.00 0.00 66.02 65.43 1qb5 s SER 87 CO 0.22 -0.22 1.13 -2.84 0.41 0.00 0.00 173.24 171.94 1qb5 s PRO 88 N 1.64 1.71 0.60 12.44 0.02 -1.26 -5.12 135.00 145.04 1qb5 s PRO 88 Ca -0.01 1.43 -0.18 0.00 0.02 0.00 0.00 61.00 62.26 1qb5 s PRO 88 Cb -0.16 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1qb5 s PRO 88 CO -0.07 -2.09 1.20 -0.80 -0.33 0.00 0.00 177.00 174.90 1qb5 s ASN 89 N -2.85 5.16 -0.11 2.53 0.01 -1.20 -4.53 114.94 113.96 1qb5 s ASN 89 Ca 0.66 2.36 -0.03 0.00 -0.71 0.00 0.00 52.86 55.14 1qb5 s ASN 89 Cb -0.21 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.82 1qb5 s ASN 89 CO 0.55 -1.61 0.00 0.54 -1.51 0.00 0.00 177.10 175.07 1qb5 s VAL 90 N -1.66 4.30 -0.23 1.60 0.11 -1.01 -0.15 120.40 123.37 1qb5 s VAL 90 Ca 0.77 -0.24 -0.26 0.00 -2.93 0.00 0.00 61.98 59.32 1qb5 s VAL 90 Cb -0.29 -2.84 -0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1qb5 s VAL 90 CO 0.34 0.57 0.89 -0.63 -3.33 0.00 0.00 175.10 172.94 1qb5 s ILE 91 N -0.52 4.80 -0.12 7.04 1.01 -0.06 -0.90 121.20 132.45 1qb5 s ILE 91 Ca 0.09 1.71 0.19 0.00 0.00 0.00 0.00 60.65 62.64 1qb5 s ILE 91 Cb -0.12 -4.17 -0.28 0.00 0.01 0.00 0.00 42.46 37.89 1qb5 s ILE 91 CO 0.02 -0.09 0.25 0.79 0.00 0.00 0.00 174.94 175.91 1qb5 n TRP 92 N 5.99 0.00 -3.78 3.97 8.01 0.10 -3.56 117.44 128.18 1qb5 n TRP 92 Ca 0.07 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.13 1qb5 n TRP 92 Cb 0.47 -0.75 -0.10 0.00 -2.01 0.00 0.00 31.31 28.93 1qb5 n TRP 92 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qb5 s ALA 93 N -2.94 -0.71 -0.03 6.99 0.00 -1.00 -5.00 121.76 119.07 1qb5 s ALA 93 Ca -0.09 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1qb5 s ALA 93 Cb 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1qb5 s ALA 93 CO 0.84 -0.20 0.10 -1.50 0.00 0.00 0.00 175.76 175.00 1qb5 s ILE 94 N -0.70 0.01 -0.16 0.00 2.07 -1.26 -1.48 121.20 119.67 1qb5 s ILE 94 Ca -0.08 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1qb5 s ILE 94 Cb -0.04 -0.16 0.03 0.00 0.13 0.00 0.00 42.46 42.42 1qb5 s ILE 94 CO 0.02 -0.03 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.22 1qb5 s GLU 95 N -0.04 2.00 -0.03 3.50 2.12 -0.30 -5.00 118.70 120.96 1qb5 s GLU 95 Ca -0.01 -0.60 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1qb5 s GLU 95 Cb -0.01 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 1qb5 s GLU 95 CO 0.00 -0.33 0.84 -1.17 -0.54 0.00 0.00 175.26 174.06 1qb5 s LEU 96 N 1.51 4.35 -0.08 2.70 2.96 -1.26 -0.96 118.68 127.90 1qb5 s LEU 96 Ca 0.02 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1qb5 s LEU 96 Cb -0.14 -3.33 0.02 0.00 0.50 0.00 0.00 46.19 43.24 1qb5 s LEU 96 CO -0.09 -0.18 -0.08 -1.83 -1.32 0.00 0.00 176.35 172.85 1qb5 s GLU 97 N 0.85 1.37 0.00 1.98 -1.05 -0.91 -5.00 118.70 115.96 1qb5 s GLU 97 Ca 0.45 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1qb5 s GLU 97 Cb -0.19 -1.32 0.00 0.00 -0.44 0.00 0.00 34.13 32.18 1qb5 s GLU 97 CO 0.23 -0.13 0.00 0.00 0.95 0.00 0.00 175.26 176.32 1qb5 n ALA 98 N 4.37 0.00 0.00 -0.84 0.00 -1.26 -3.83 120.51 118.95 1qb5 n ALA 98 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1qb5 n ALA 98 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1qb5 n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89