#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb5 s ALA 2 N 0.00 3.50 0.68 4.61 0.00 -1.26 -4.98 121.76 124.32 1qb5 s ALA 2 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1qb5 s ALA 2 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1qb5 s ALA 2 CO 0.00 -0.50 1.21 -1.54 0.00 0.00 0.00 175.76 174.93 1qb5 s SER 3 N 0.09 4.54 0.41 0.00 1.04 -1.26 -4.79 113.70 113.73 1qb5 s SER 3 Ca 0.54 2.36 0.07 0.00 0.48 0.00 0.00 55.95 59.41 1qb5 s SER 3 Cb -0.36 -2.59 0.86 0.00 0.10 0.00 0.00 66.02 64.03 1qb5 s SER 3 CO 0.40 -2.03 2.06 -0.61 0.98 0.00 0.00 173.24 174.04 1qb5 h GLN 4 N 0.09 0.52 -0.77 4.02 5.75 -1.99 -1.02 115.11 121.71 1qb5 h GLN 4 Ca -0.49 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.04 1qb5 h GLN 4 Cb 1.30 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.67 1qb5 h GLN 4 CO 0.52 0.35 0.46 0.35 -2.65 0.00 0.00 178.83 177.86 1qb5 h PHE 5 N 0.53 0.86 0.03 3.99 3.57 -1.99 0.33 116.94 124.26 1qb5 h PHE 5 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1qb5 h PHE 5 Cb -0.05 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.42 1qb5 h PHE 5 CO 0.00 0.44 -0.02 0.35 -2.23 0.00 0.00 178.31 176.85 1qb5 h PHE 6 N 0.86 -0.04 -0.21 0.41 3.57 -1.67 -0.88 116.94 118.98 1qb5 h PHE 6 Ca 0.33 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.89 1qb5 h PHE 6 Cb 0.15 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 1qb5 h PHE 6 CO -0.05 0.58 -0.25 0.87 -2.23 0.00 0.00 178.31 177.24 1qb5 h LYS 7 N -0.71 -0.26 -0.51 1.11 1.57 -1.18 -0.69 116.57 115.89 1qb5 h LYS 7 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1qb5 h LYS 7 Cb 0.64 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1qb5 h LYS 7 CO 0.01 -0.17 0.34 -0.44 -0.57 0.00 0.00 179.45 178.61 1qb5 h ASP 8 N -0.27 0.59 1.80 0.86 3.32 -0.85 -1.94 116.42 119.93 1qb5 h ASP 8 Ca 0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1qb5 h ASP 8 Cb 0.46 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1qb5 h ASP 8 CO -0.36 0.43 -0.06 0.78 -1.72 0.00 0.00 179.24 178.30 1qb5 h ASN 9 N 0.70 0.00 0.08 6.45 -0.26 -0.24 -3.23 115.58 119.07 1qb5 h ASN 9 Ca 0.19 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.68 1qb5 h ASN 9 Cb -0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1qb5 h ASN 9 CO -0.04 0.06 -1.30 0.00 -1.06 0.00 0.00 177.43 175.09 1qb5 h ASN 11 N -0.48 0.25 0.00 0.00 -0.26 -1.46 0.49 115.58 114.12 1qb5 h ASN 11 Ca -0.30 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1qb5 h ASN 11 Cb 1.62 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.85 1qb5 h ASN 11 CO -0.00 0.12 0.00 -2.11 -1.06 0.00 0.00 177.43 174.38 1qb5 n ARG 12 N -4.43 0.87 -4.38 0.81 1.85 -1.22 -4.66 116.66 105.50 1qb5 n ARG 12 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.74 1qb5 n ARG 12 Cb 0.66 -1.36 -0.11 0.00 -1.05 0.00 0.00 32.46 30.60 1qb5 n ARG 12 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1qb5 s THR 13 N -2.00 2.66 0.00 8.89 -4.23 0.17 -5.03 115.64 116.10 1qb5 s THR 13 Ca 0.30 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1qb5 s THR 13 Cb 0.14 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1qb5 s THR 13 CO 0.23 -0.12 1.34 1.07 -0.54 0.00 0.00 174.62 176.60 1qb5 n THR 14 N 0.17 1.34 -4.01 3.99 5.66 -1.26 -4.81 114.28 115.36 1qb5 n THR 14 Ca -0.12 -0.22 -0.22 0.00 -3.05 0.00 0.00 64.05 60.44 1qb5 n THR 14 Cb 0.56 -1.19 -0.05 0.00 -1.55 0.00 0.00 70.33 68.09 1qb5 n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qb5 s ALA 15 N 0.14 3.61 -0.07 1.79 0.00 -1.26 -4.57 121.76 121.40 1qb5 s ALA 15 Ca 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 1qb5 s ALA 15 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1qb5 s ALA 15 CO 0.00 0.06 0.09 -1.54 0.00 0.00 0.00 175.76 174.37 1qb5 s SER 16 N -3.89 5.86 -0.24 0.00 1.04 0.20 -4.80 113.70 111.87 1qb5 s SER 16 Ca 0.38 0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.93 1qb5 s SER 16 Cb -0.04 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 1qb5 s SER 16 CO 0.24 0.35 0.41 -0.22 0.98 0.00 0.00 173.24 175.00 1qb5 s LEU 17 N -1.24 4.08 -0.20 2.42 2.96 -1.26 -1.26 118.68 124.18 1qb5 s LEU 17 Ca 0.18 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1qb5 s LEU 17 Cb -0.12 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 1qb5 s LEU 17 CO 0.07 -0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.17 1qb5 s VAL 18 N 1.84 3.17 0.01 1.68 1.01 0.57 -4.99 120.40 123.69 1qb5 s VAL 18 Ca 0.18 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1qb5 s VAL 18 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1qb5 s VAL 18 CO 0.09 0.46 -0.13 -1.61 0.00 0.00 0.00 175.10 173.91 1qb5 s GLU 19 N 1.25 2.36 -1.15 2.72 2.02 -1.26 -0.34 118.70 124.30 1qb5 s GLU 19 Ca 0.03 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 1qb5 s GLU 19 Cb -0.14 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1qb5 s GLU 19 CO -0.03 0.58 1.00 0.41 0.02 0.00 0.00 175.26 177.24 1qb5 n GLY 20 N 1.70 -0.32 3.74 -1.39 0.00 -1.17 -4.98 105.19 102.76 1qb5 n GLY 20 Ca -0.16 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.28 4.02 -0.23 1.61 1.01 -0.01 -4.81 120.40 118.72 1qb5 s VAL 21 Ca 0.45 1.80 -0.08 0.00 0.00 0.00 0.00 61.98 64.16 1qb5 s VAL 21 Cb -0.20 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1qb5 s VAL 21 CO 0.62 0.34 0.09 -0.70 0.00 0.00 0.00 175.10 175.45 1qb5 s GLU 22 N -0.53 3.85 -0.14 2.72 2.56 -1.26 -1.15 118.70 124.74 1qb5 s GLU 22 Ca 0.47 -0.39 -0.13 0.00 0.00 0.00 0.00 54.97 54.91 1qb5 s GLU 22 Cb -0.27 -3.35 -0.05 0.00 2.00 0.00 0.00 34.13 32.45 1qb5 s GLU 22 CO 0.34 -0.00 0.30 -0.51 -0.56 0.00 0.00 175.26 174.82 1qb5 s LEU 23 N 1.14 4.28 -0.00 2.70 1.43 -1.26 -0.85 118.68 126.12 1qb5 s LEU 23 Ca 0.05 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1qb5 s LEU 23 Cb -0.14 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 1qb5 s LEU 23 CO 0.04 0.15 0.01 0.35 0.23 0.00 0.00 176.35 177.13 1qb5 n THR 24 N 3.25 0.00 -4.24 5.49 -2.24 -0.26 -4.18 114.28 112.10 1qb5 n THR 24 Ca -0.13 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 1qb5 n THR 24 Cb 0.52 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.56 0.62 -0.10 -0.78 -0.14 -1.17 -5.02 119.74 111.60 1qb5 s LYS 25 Ca -0.00 -0.43 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 1qb5 s LYS 25 Cb 0.00 -0.57 0.02 0.00 -1.68 0.00 0.00 37.83 35.61 1qb5 s LYS 25 CO 0.01 0.15 -0.11 -0.47 -0.76 0.00 0.00 175.35 174.17 1qb5 s TYR 26 N -0.52 1.64 -0.09 3.18 5.04 -1.26 -2.09 117.35 123.25 1qb5 s TYR 26 Ca 0.00 -0.77 0.03 0.00 -2.44 0.00 0.00 57.07 53.90 1qb5 s TYR 26 Cb -0.05 -1.26 0.01 0.00 0.35 0.00 0.00 41.96 41.01 1qb5 s TYR 26 CO 0.00 -0.45 -0.20 0.42 -1.34 0.00 0.00 175.55 173.98 1qb5 s ILE 27 N 1.25 1.73 -0.15 3.14 1.01 0.29 -5.00 121.20 123.46 1qb5 s ILE 27 Ca -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 1qb5 s ILE 27 Cb -0.14 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1qb5 s ILE 27 CO -0.04 0.49 -0.12 -0.55 0.00 0.00 0.00 174.94 174.72 1qb5 s SER 28 N 0.51 4.02 -0.04 3.58 0.15 -1.26 -1.32 113.70 119.33 1qb5 s SER 28 Ca -0.16 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.12 1qb5 s SER 28 Cb -0.17 -1.63 0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1qb5 s SER 28 CO 0.06 0.13 0.07 -0.62 1.20 0.00 0.00 173.24 174.08 1qb5 s ASP 29 N 0.58 0.42 -0.03 5.45 -1.08 -0.72 -5.01 116.67 116.27 1qb5 s ASP 29 Ca -0.07 0.12 0.07 0.00 -0.52 0.00 0.00 52.55 52.14 1qb5 s ASP 29 Cb -0.15 -0.02 0.16 0.00 -1.46 0.00 0.00 42.92 41.45 1qb5 s ASP 29 CO 0.03 -0.18 1.12 2.30 0.52 0.00 0.00 175.17 178.96 1qb5 n ILE 30 N 4.62 1.24 -1.77 4.11 -5.35 -1.26 -0.69 119.36 120.26 1qb5 n ILE 30 Ca -0.18 -1.27 -0.39 0.00 -0.27 0.00 0.00 62.75 60.65 1qb5 n ILE 30 Cb 0.50 0.33 0.04 0.00 -1.74 0.00 0.00 39.64 38.77 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 -1.36 5.30 0.22 7.28 0.01 -1.26 -4.77 114.94 120.35 1qb5 s ASN 31 Ca 0.14 2.79 -0.08 0.00 -0.71 0.00 0.00 52.86 55.00 1qb5 s ASN 31 Cb 0.10 -2.64 0.28 0.00 0.41 0.00 0.00 41.25 39.40 1qb5 s ASN 31 CO 0.05 -1.55 1.79 0.78 -1.51 0.00 0.00 177.10 176.66 1qb5 h ASN 32 N 1.52 0.49 0.94 -1.22 -0.26 -1.99 0.47 115.58 115.53 1qb5 h ASN 32 Ca -0.51 0.05 -0.22 0.00 -0.56 0.00 0.00 56.30 55.06 1qb5 h ASN 32 Cb 1.30 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.48 1qb5 h ASN 32 CO 0.57 0.30 -1.09 -0.55 -1.06 0.00 0.00 177.43 175.60 1qb5 h ASN 33 N 0.63 0.00 -0.02 5.81 7.08 -1.99 -3.34 115.58 123.75 1qb5 h ASN 33 Ca 0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.54 1qb5 h ASN 33 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.51 1qb5 h ASN 33 CO -0.22 0.99 -0.10 0.35 -2.08 0.00 0.00 177.43 176.36 1qb5 n THR 34 N -3.30 0.00 -0.69 6.14 -2.24 -1.06 -5.02 114.28 108.11 1qb5 n THR 34 Ca -0.02 -0.45 -0.26 0.00 -2.27 0.00 0.00 64.05 61.04 1qb5 n THR 34 Cb 0.95 1.28 -0.07 0.00 -2.10 0.00 0.00 70.33 70.39 1qb5 n THR 34 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qb5 n ASP 35 N 0.55 0.28 0.00 3.42 2.03 0.13 -4.74 116.55 118.22 1qb5 n ASP 35 Ca 0.08 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1qb5 n ASP 35 Cb 0.37 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 3.60 -2.08 3.44 0.27 0.00 0.13 -5.00 105.19 105.55 1qb5 n GLY 36 Ca 0.30 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1qb5 n GLY 36 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qb5 s MET 37 N -1.96 3.30 0.09 1.61 1.75 -1.26 -1.76 119.30 121.08 1qb5 s MET 37 Ca 0.00 -0.63 0.03 0.00 -1.25 0.00 0.00 55.69 53.85 1qb5 s MET 37 Cb 0.00 -2.68 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 1qb5 s MET 37 CO 0.00 0.31 -0.10 0.71 -0.65 0.00 0.00 175.02 175.30 1qb5 s TYR 38 N 0.12 1.03 0.11 4.11 1.51 -0.44 -1.14 117.35 122.65 1qb5 s TYR 38 Ca -0.04 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1qb5 s TYR 38 Cb -0.14 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1qb5 s TYR 38 CO 0.04 -0.02 -0.16 0.14 -1.11 0.00 0.00 175.55 174.44 1qb5 s VAL 39 N -2.50 1.44 -0.05 0.71 -7.23 -0.11 -0.55 120.40 112.12 1qb5 s VAL 39 Ca 0.05 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1qb5 s VAL 39 Cb -0.02 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1qb5 s VAL 39 CO -0.00 -0.26 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.68 1qb5 s VAL 40 N -1.66 1.32 0.58 1.32 1.01 -0.89 -0.81 120.40 121.28 1qb5 s VAL 40 Ca 0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1qb5 s VAL 40 Cb -0.08 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1qb5 s VAL 40 CO 0.04 0.39 0.88 -0.94 0.00 0.00 0.00 175.10 175.47 1qb5 s SER 41 N 0.29 5.52 0.45 3.32 1.04 0.44 -1.10 113.70 123.66 1qb5 s SER 41 Ca -0.09 0.60 0.22 0.00 0.48 0.00 0.00 55.95 57.17 1qb5 s SER 41 Cb -0.13 -1.58 1.21 0.00 0.10 0.00 0.00 66.02 65.62 1qb5 s SER 41 CO 0.03 -1.09 1.85 0.77 0.98 0.00 0.00 173.24 175.79 1qb5 h SER 42 N -0.15 0.29 -0.05 7.02 4.64 -1.33 0.55 113.55 124.52 1qb5 h SER 42 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1qb5 h SER 42 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1qb5 h SER 42 CO 0.60 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 177.01 1qb5 n THR 43 N -4.45 0.06 -0.47 2.95 -2.24 -1.26 -4.90 114.28 103.96 1qb5 n THR 43 Ca 0.20 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1qb5 n THR 43 Cb 0.80 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.03 0.75 3.76 3.38 0.00 0.19 -5.05 105.19 109.25 1qb5 n GLY 44 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.71 2.79 -0.05 -0.02 0.00 -1.26 -4.75 107.32 102.31 1qb5 s GLY 45 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 44.72 45.82 1qb5 s GLY 45 CO 0.00 1.50 -0.19 0.54 0.00 0.00 0.00 173.10 174.96 1qb5 s VAL 46 N -1.51 1.56 0.03 1.40 0.11 -1.26 -0.42 120.40 120.31 1qb5 s VAL 46 Ca 0.71 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1qb5 s VAL 46 Cb -0.32 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.17 1qb5 s VAL 46 CO 0.37 0.45 -0.10 0.26 -3.33 0.00 0.00 175.10 172.75 1qb5 s TRP 47 N 0.09 0.84 -0.06 1.54 0.51 0.01 -3.23 118.94 118.64 1qb5 s TRP 47 Ca -0.06 -0.36 -0.17 0.00 -2.12 0.00 0.00 56.10 53.38 1qb5 s TRP 47 Cb -0.13 -0.50 -0.05 0.00 -0.81 0.00 0.00 33.47 31.98 1qb5 s TRP 47 CO 0.03 -0.02 0.47 0.50 -0.51 0.00 0.00 176.95 177.42 1qb5 s ARG 48 N -1.14 4.21 -0.06 4.98 3.52 0.61 -0.93 118.95 130.13 1qb5 s ARG 48 Ca -0.03 0.47 -0.25 0.00 -0.13 0.00 0.00 55.73 55.79 1qb5 s ARG 48 Cb -0.08 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1qb5 s ARG 48 CO 0.01 0.37 0.76 0.42 -0.81 0.00 0.00 175.30 176.04 1qb5 s ILE 49 N -0.06 5.00 0.64 4.11 1.01 -0.29 -1.33 121.20 130.28 1qb5 s ILE 49 Ca 0.26 1.57 -0.17 0.00 0.00 0.00 0.00 60.65 62.30 1qb5 s ILE 49 Cb -0.16 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1qb5 s ILE 49 CO 0.12 0.22 0.93 -1.20 0.00 0.00 0.00 174.94 175.01 1qb5 n SER 50 N 3.89 0.54 -4.26 3.58 7.64 -1.25 -4.62 113.62 119.15 1qb5 n SER 50 Ca 0.00 0.75 -0.23 0.00 1.01 0.00 0.00 58.87 60.41 1qb5 n SER 50 Cb 0.51 -1.38 -0.13 0.00 -1.01 0.00 0.00 64.21 62.21 1qb5 n SER 50 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qb5 s ARG 51 N -2.90 1.07 -0.27 1.43 0.52 -1.26 -4.85 118.95 112.69 1qb5 s ARG 51 Ca 0.75 -1.09 -0.22 0.00 -0.52 0.00 0.00 55.73 54.65 1qb5 s ARG 51 Cb -0.39 -1.27 0.08 0.00 0.52 0.00 0.00 34.95 33.89 1qb5 s ARG 51 CO 0.48 0.30 0.73 0.00 0.02 0.00 0.00 175.30 176.83 1qb5 s ALA 52 N -1.15 -1.83 -0.10 2.13 0.00 -1.26 -5.04 121.76 114.50 1qb5 s ALA 52 Ca 0.05 2.14 0.15 0.00 0.00 0.00 0.00 51.96 54.30 1qb5 s ALA 52 Cb -0.10 -1.28 -0.22 0.00 0.00 0.00 0.00 23.12 21.52 1qb5 s ALA 52 CO 0.04 -0.35 0.51 1.17 0.00 0.00 0.00 175.76 177.13 1qb5 n LYS 53 N 3.16 0.65 -3.50 0.00 3.00 -1.26 -4.00 118.16 116.20 1qb5 n LYS 53 Ca -0.16 0.18 -0.30 0.00 -0.00 0.00 0.00 58.31 58.03 1qb5 n LYS 53 Cb 0.56 -1.71 -0.04 0.00 0.00 0.00 0.00 35.03 33.84 1qb5 n LYS 53 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1qb5 s ASP 54 N -5.81 6.48 0.35 3.14 1.47 -1.26 -4.73 116.67 116.32 1qb5 s ASP 54 Ca -0.06 0.67 -0.28 0.00 1.18 0.00 0.00 52.55 54.06 1qb5 s ASP 54 Cb 0.08 -2.12 -0.10 0.00 -0.34 0.00 0.00 42.92 40.44 1qb5 s ASP 54 CO 0.83 -0.08 1.29 -0.47 0.68 0.00 0.00 175.17 177.42 1qb5 s TYR 55 N -1.88 3.01 -2.68 2.11 5.04 -1.26 -1.37 117.35 120.31 1qb5 s TYR 55 Ca 0.43 1.43 0.25 0.00 -2.44 0.00 0.00 57.07 56.74 1qb5 s TYR 55 Cb -0.11 -3.65 0.41 0.00 0.35 0.00 0.00 41.96 38.95 1qb5 s TYR 55 CO 0.27 -1.85 1.37 -0.35 -1.34 0.00 0.00 175.55 173.65 1qb5 n PRO 56 N 0.61 1.94 0.17 4.97 -0.04 -1.26 -4.88 135.00 136.51 1qb5 n PRO 56 Ca 0.01 -1.49 0.13 0.00 -0.04 0.00 0.00 63.50 62.11 1qb5 n PRO 56 Cb 0.42 -1.47 0.49 0.00 -0.04 0.00 0.00 33.50 32.91 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 3.64 0.00 0.12 3.54 3.32 -1.82 -1.98 116.42 123.25 1qb5 h ASP 57 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1qb5 h ASP 57 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1qb5 h ASP 57 CO 0.00 0.00 -0.14 -0.55 -1.72 0.00 0.00 179.24 176.83 1qb5 h ASN 58 N 0.00 0.03 0.25 6.45 -1.07 -1.35 0.36 115.58 120.25 1qb5 h ASN 58 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.35 1qb5 h ASN 58 Cb 0.53 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.77 1qb5 h ASN 58 CO 0.00 0.17 -0.12 0.58 0.07 0.00 0.00 177.43 178.13 1qb5 h VAL 59 N 0.03 0.78 -0.87 6.14 2.07 -1.64 -1.84 116.25 120.92 1qb5 h VAL 59 Ca 0.01 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1qb5 h VAL 59 Cb 0.26 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1qb5 h VAL 59 CO 0.02 0.15 0.56 0.24 0.02 0.00 0.00 177.57 178.56 1qb5 h MET 60 N -0.75 1.16 -0.08 1.57 2.86 -1.43 -1.68 114.93 116.58 1qb5 h MET 60 Ca -0.03 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 1qb5 h MET 60 Cb 0.50 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1qb5 h MET 60 CO 0.06 0.78 -0.60 1.79 1.06 0.00 0.00 176.91 179.99 1qb5 h THR 61 N 1.19 1.38 -0.55 2.22 1.35 -1.00 -0.37 112.91 117.13 1qb5 h THR 61 Ca 0.32 -1.96 0.01 0.00 -0.55 0.00 0.00 66.41 64.23 1qb5 h THR 61 Cb -0.11 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.25 1qb5 h THR 61 CO -0.07 0.58 0.35 0.00 -0.25 0.00 0.00 175.52 176.14 1qb5 h ALA 62 N 1.16 0.71 -0.29 6.62 0.00 -0.73 -2.25 119.26 124.48 1qb5 h ALA 62 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1qb5 h ALA 62 Cb 1.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1qb5 h ALA 62 CO 0.10 0.10 -0.14 0.93 0.00 0.00 0.00 179.25 180.24 1qb5 h GLU 63 N 0.71 0.51 -0.84 0.00 4.39 -0.86 -1.93 114.58 116.56 1qb5 h GLU 63 Ca 0.21 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1qb5 h GLU 63 Cb -0.04 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1qb5 h GLU 63 CO -0.07 0.64 0.52 0.52 -1.16 0.00 0.00 179.01 179.47 1qb5 h MET 64 N 0.47 0.93 -0.70 2.33 2.86 -0.56 0.23 114.93 120.48 1qb5 h MET 64 Ca 0.08 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1qb5 h MET 64 Cb 0.53 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1qb5 h MET 64 CO 0.03 0.62 0.23 0.00 1.06 0.00 0.00 176.91 178.85 1qb5 h ARG 65 N 0.96 1.06 -0.50 1.72 3.08 -0.82 -0.82 114.38 119.07 1qb5 h ARG 65 Ca 0.37 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1qb5 h ARG 65 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1qb5 h ARG 65 CO -0.17 0.90 -0.08 0.87 -1.07 0.00 0.00 179.97 180.42 1qb5 h LYS 66 N 1.03 0.94 -0.41 0.04 1.57 -0.52 -2.01 116.57 117.20 1qb5 h LYS 66 Ca 0.23 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1qb5 h LYS 66 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1qb5 h LYS 66 CO -0.01 1.00 0.12 0.82 -0.57 0.00 0.00 179.45 180.80 1qb5 h ILE 67 N 0.80 1.22 -0.47 1.86 2.04 -0.38 -1.20 117.51 121.38 1qb5 h ILE 67 Ca 0.13 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1qb5 h ILE 67 Cb 0.62 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1qb5 h ILE 67 CO 0.04 0.26 0.20 0.00 0.00 0.00 0.00 178.15 178.66 1qb5 h ALA 68 N 0.97 0.61 -0.35 1.87 0.00 -1.08 -1.12 119.26 120.16 1qb5 h ALA 68 Ca 0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1qb5 h ALA 68 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qb5 h ALA 68 CO -0.00 0.20 -0.15 1.98 0.00 0.00 0.00 179.25 181.28 1qb5 h MET 69 N 0.62 0.63 -0.26 0.00 1.85 -1.30 -2.17 114.93 114.30 1qb5 h MET 69 Ca 0.16 -0.21 -0.08 0.00 -0.61 0.00 0.00 59.70 58.96 1qb5 h MET 69 Cb 0.17 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1qb5 h MET 69 CO -0.02 0.76 -0.18 0.00 -0.40 0.00 0.00 176.91 177.07 1qb5 h ALA 70 N 1.27 1.20 -0.35 0.39 0.00 -0.79 -1.67 119.26 119.30 1qb5 h ALA 70 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1qb5 h ALA 70 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1qb5 h ALA 70 CO 0.04 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 1qb5 h ALA 71 N 1.39 0.48 -0.60 0.00 0.00 -0.96 -1.55 119.26 118.02 1qb5 h ALA 71 Ca 0.07 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1qb5 h ALA 71 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1qb5 h ALA 71 CO 0.04 0.30 0.06 0.28 0.00 0.00 0.00 179.25 179.94 1qb5 h VAL 72 N 0.45 1.26 -0.06 0.00 2.07 -1.13 0.90 116.25 119.73 1qb5 h VAL 72 Ca 0.09 -1.03 -0.21 0.00 0.82 0.00 0.00 66.70 66.37 1qb5 h VAL 72 Cb 0.56 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1qb5 h VAL 72 CO 0.03 0.38 -0.84 -0.07 0.02 0.00 0.00 177.57 177.09 1qb5 h LEU 73 N 0.92 0.65 0.00 2.57 3.38 -1.24 -3.34 115.31 118.24 1qb5 h LEU 73 Ca 0.18 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qb5 h LEU 73 Cb 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qb5 h LEU 73 CO 0.02 1.24 -1.10 -1.54 0.09 0.00 0.00 178.44 177.15 1qb5 n SER 74 N -3.83 0.82 0.00 -0.43 3.41 -0.59 -4.97 113.62 108.02 1qb5 n SER 74 Ca -0.06 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1qb5 n SER 74 Cb 0.77 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 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 1.43 0.72 3.77 5.00 0.00 0.31 -5.01 105.19 111.41 1qb5 n GLY 75 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.20 3.90 0.48 1.61 -1.94 -1.21 -4.94 119.30 117.01 1qb5 s MET 76 Ca 0.00 2.16 -0.11 0.00 -1.71 0.00 0.00 55.69 56.03 1qb5 s MET 76 Cb 0.00 -2.71 -0.06 0.00 2.01 0.00 0.00 34.83 34.07 1qb5 s MET 76 CO 0.00 -0.55 0.87 1.03 -0.01 0.00 0.00 175.02 176.36 1qb5 s ARG 77 N -2.30 3.76 0.15 2.03 1.81 -1.26 -4.63 118.95 118.51 1qb5 s ARG 77 Ca 0.58 0.60 0.08 0.00 -1.72 0.00 0.00 55.73 55.27 1qb5 s ARG 77 Cb -0.38 -2.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 1qb5 s ARG 77 CO 0.49 -0.21 -0.17 0.14 -0.68 0.00 0.00 175.30 174.87 1qb5 s VAL 78 N -2.62 1.66 -0.08 3.52 -7.23 -0.30 -2.05 120.40 113.29 1qb5 s VAL 78 Ca 0.53 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1qb5 s VAL 78 Cb -0.10 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1qb5 s VAL 78 CO 0.37 -0.37 -0.03 0.20 -0.31 0.00 0.00 175.10 174.96 1qb5 s ASN 79 N -2.65 4.94 0.07 4.85 0.01 -0.06 -0.83 114.94 121.27 1qb5 s ASN 79 Ca 0.14 0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.41 1qb5 s ASN 79 Cb -0.05 -1.34 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 1qb5 s ASN 79 CO 0.05 0.36 -0.18 -0.04 -1.51 0.00 0.00 177.10 175.79 1qb5 s MET 80 N -0.79 1.04 -0.31 -0.60 -1.94 0.54 -0.45 119.30 116.79 1qb5 s MET 80 Ca 0.12 -0.99 -0.05 0.00 -1.71 0.00 0.00 55.69 53.06 1qb5 s MET 80 Cb -0.11 -1.16 0.03 0.00 2.01 0.00 0.00 34.83 35.60 1qb5 s MET 80 CO 0.02 0.27 0.07 0.00 -0.01 0.00 0.00 175.02 175.37 1qb5 s ALA 82 N 1.39 0.52 0.62 0.00 0.00 -0.39 -0.45 121.76 123.45 1qb5 s ALA 82 Ca -0.01 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 1qb5 s ALA 82 Cb -0.19 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1qb5 s ALA 82 CO 0.01 -0.25 1.26 -1.13 0.00 0.00 0.00 175.76 175.65 1qb5 n SER 83 N 0.61 1.99 -0.09 0.00 3.41 -0.64 0.63 113.62 119.53 1qb5 n SER 83 Ca -0.17 0.85 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 1qb5 n SER 83 Cb 0.59 -1.53 -0.09 0.00 -0.26 0.00 0.00 64.21 62.91 1qb5 n SER 83 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1qb5 n PRO 84 N -1.60 0.64 -3.41 4.33 -0.04 -1.26 -4.61 135.00 129.05 1qb5 n PRO 84 Ca 0.15 -0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.16 1qb5 n PRO 84 Cb 0.47 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1qb5 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qb5 s ALA 85 N -2.76 0.80 0.00 0.55 0.00 -1.26 -5.03 121.76 114.06 1qb5 s ALA 85 Ca 0.09 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1qb5 s ALA 85 Cb 0.15 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1qb5 s ALA 85 CO 0.76 -2.08 0.00 0.43 0.00 0.00 0.00 175.76 174.87 1qb5 n SER 86 N 3.66 0.00 -3.42 0.00 7.64 -1.26 -5.06 113.62 115.18 1qb5 n SER 86 Ca 0.18 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 1qb5 n SER 86 Cb 0.42 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 1qb5 n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1qb5 s SER 87 N 0.00 0.89 0.65 6.43 0.15 -1.26 -3.72 113.70 116.84 1qb5 s SER 87 Ca 0.00 -0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.45 1qb5 s SER 87 Cb 0.00 0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1qb5 s SER 87 CO 0.00 -0.32 1.08 -2.84 1.20 0.00 0.00 173.24 172.36 1qb5 s PRO 88 N 2.43 2.95 0.59 5.44 0.02 -1.26 -5.15 135.00 140.02 1qb5 s PRO 88 Ca 0.10 1.23 -0.10 0.00 0.02 0.00 0.00 61.00 62.25 1qb5 s PRO 88 Cb -0.15 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1qb5 s PRO 88 CO -0.15 -1.11 0.99 -0.80 -0.33 0.00 0.00 177.00 175.60 1qb5 s ASN 89 N -2.92 6.25 -0.02 2.53 0.02 -1.20 -4.74 114.94 114.86 1qb5 s ASN 89 Ca 0.64 1.35 0.02 0.00 -1.02 0.00 0.00 52.86 53.84 1qb5 s ASN 89 Cb -0.17 -2.44 -0.03 0.00 0.02 0.00 0.00 41.25 38.62 1qb5 s ASN 89 CO 0.43 -0.81 -0.04 0.54 0.02 0.00 0.00 177.10 177.24 1qb5 s VAL 90 N -3.09 3.91 -0.16 1.60 0.11 -1.26 -0.29 120.40 121.22 1qb5 s VAL 90 Ca 0.54 -0.61 -0.19 0.00 -2.93 0.00 0.00 61.98 58.79 1qb5 s VAL 90 Cb -0.11 -2.70 -0.03 0.00 -1.53 0.00 0.00 36.38 32.01 1qb5 s VAL 90 CO 0.52 0.44 0.53 -0.63 -3.33 0.00 0.00 175.10 172.63 1qb5 s ILE 91 N -0.99 5.12 -0.04 7.04 1.01 -0.44 -1.62 121.20 131.27 1qb5 s ILE 91 Ca 0.17 1.02 0.10 0.00 0.00 0.00 0.00 60.65 61.95 1qb5 s ILE 91 Cb -0.11 -3.86 -0.16 0.00 0.01 0.00 0.00 42.46 38.34 1qb5 s ILE 91 CO 0.07 0.22 0.18 0.79 0.00 0.00 0.00 174.94 176.20 1qb5 n TRP 92 N 4.36 0.00 -3.75 3.97 8.01 0.40 -3.95 117.44 126.48 1qb5 n TRP 92 Ca -0.05 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.01 1qb5 n TRP 92 Cb 0.51 -0.33 -0.09 0.00 -2.01 0.00 0.00 31.31 29.39 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 -2.60 -0.83 -0.01 6.99 0.00 -0.87 -4.99 121.76 119.45 1qb5 s ALA 93 Ca -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 1qb5 s ALA 93 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1qb5 s ALA 93 CO 0.44 -0.23 0.07 -1.50 0.00 0.00 0.00 175.76 174.54 1qb5 s ILE 94 N -0.86 0.04 -0.16 0.00 2.07 -1.26 -0.89 121.20 120.14 1qb5 s ILE 94 Ca -0.09 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1qb5 s ILE 94 Cb -0.04 -0.23 0.04 0.00 0.13 0.00 0.00 42.46 42.36 1qb5 s ILE 94 CO 0.03 -0.20 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.11 1qb5 s GLU 95 N -0.64 1.44 -0.02 3.50 2.12 0.40 -4.99 118.70 120.51 1qb5 s GLU 95 Ca -0.07 -0.50 -0.28 0.00 0.36 0.00 0.00 54.97 54.48 1qb5 s GLU 95 Cb -0.04 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 1qb5 s GLU 95 CO 0.00 -0.42 0.88 -1.17 -0.54 0.00 0.00 175.26 174.01 1qb5 s LEU 96 N 1.64 4.35 -0.07 2.70 2.96 -1.26 -0.88 118.68 128.12 1qb5 s LEU 96 Ca 0.01 1.50 0.05 0.00 -0.22 0.00 0.00 54.13 55.46 1qb5 s LEU 96 Cb -0.15 -3.40 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1qb5 s LEU 96 CO -0.08 -0.21 -0.21 -1.83 -1.32 0.00 0.00 176.35 172.70 1qb5 s GLU 97 N 0.95 2.39 0.04 1.98 -1.05 -0.87 -4.99 118.70 117.15 1qb5 s GLU 97 Ca 0.47 -0.77 -0.17 0.00 -0.15 0.00 0.00 54.97 54.35 1qb5 s GLU 97 Cb -0.20 -1.95 -0.22 0.00 -0.44 0.00 0.00 34.13 31.32 1qb5 s GLU 97 CO 0.24 0.25 1.17 0.00 0.95 0.00 0.00 175.26 177.87 1qb5 h ALA 98 N 6.38 0.13 0.00 -0.84 0.00 -1.97 -3.35 119.26 119.61 1qb5 h ALA 98 Ca -0.28 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1qb5 h ALA 98 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qb5 h ALA 98 CO 0.47 0.50 0.00 -0.85 0.00 0.00 0.00 179.25 179.37