#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpl s VAL 2 N 0.00 -0.04 -0.12 1.61 0.11 -1.26 -1.69 120.40 119.00 1qpl s VAL 2 Ca 0.00 0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1qpl s VAL 2 Cb 0.00 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1qpl s VAL 2 CO 0.00 0.07 0.04 -1.10 -3.33 0.00 0.00 175.10 170.77 1qpl s GLN 3 N 1.06 3.32 -0.26 1.54 1.11 -1.09 -4.95 119.66 120.38 1qpl s GLN 3 Ca -0.08 -0.35 0.01 0.00 0.01 0.00 0.00 55.36 54.94 1qpl s GLN 3 Cb -0.10 -2.96 0.05 0.00 -1.01 0.00 0.00 33.01 28.98 1qpl s GLN 3 CO -0.05 0.60 -0.09 0.08 0.01 0.00 0.00 175.29 175.84 1qpl s VAL 4 N -0.57 2.50 -0.44 1.09 1.01 -1.26 -1.35 120.40 121.38 1qpl s VAL 4 Ca 0.10 -1.36 -0.09 0.00 0.00 0.00 0.00 61.98 60.63 1qpl s VAL 4 Cb -0.12 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 33.99 1qpl s VAL 4 CO 0.02 0.07 0.30 -1.61 0.00 0.00 0.00 175.10 173.89 1qpl s GLU 5 N 1.21 2.57 -0.35 2.72 2.02 -0.61 -4.94 118.70 121.33 1qpl s GLU 5 Ca -0.04 -1.57 -0.27 0.00 0.02 0.00 0.00 54.97 53.10 1qpl s GLU 5 Cb -0.18 -3.85 -0.05 0.00 0.10 0.00 0.00 34.13 30.14 1qpl s GLU 5 CO -0.05 -1.05 2.24 0.99 0.02 0.00 0.00 175.26 177.40 1qpl s THR 6 N 1.41 3.06 -0.14 3.63 2.01 -1.26 -1.36 115.64 123.00 1qpl s THR 6 Ca 0.04 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 1qpl s THR 6 Cb -0.24 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 1qpl s THR 6 CO 0.01 -0.09 0.18 0.40 -0.69 0.00 0.00 174.62 174.43 1qpl h ILE 7 N 7.31 0.58 -3.66 1.82 2.04 -0.53 -3.47 117.51 121.60 1qpl h ILE 7 Ca -0.34 -1.52 -0.68 0.00 1.00 0.00 0.00 64.86 63.32 1qpl h ILE 7 Cb 1.24 1.19 -0.21 0.00 -0.74 0.00 0.00 36.82 38.30 1qpl h ILE 7 CO 1.05 0.20 -0.71 -0.55 0.00 0.00 0.00 178.15 178.14 1qpl s SER 8 N -5.98 4.48 0.08 1.72 0.15 -0.30 -4.96 113.70 108.90 1qpl s SER 8 Ca -0.13 -0.10 -0.31 0.00 0.70 0.00 0.00 55.95 56.11 1qpl s SER 8 Cb 0.01 -1.23 -0.08 0.00 -1.71 0.00 0.00 66.02 63.01 1qpl s SER 8 CO 0.32 0.31 1.57 -2.84 1.20 0.00 0.00 173.24 173.80 1qpl s PRO 9 N -0.53 4.23 0.00 5.44 0.02 -1.26 -2.73 135.00 140.17 1qpl s PRO 9 Ca 0.08 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1qpl s PRO 9 Cb -0.12 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1qpl s PRO 9 CO 0.02 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 1qpl n GLY 10 N 3.84 0.44 0.31 0.52 0.00 -1.26 -4.47 105.19 104.57 1qpl n GLY 10 Ca 0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 1qpl n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpl h ASP 11 N 0.00 0.82 0.00 1.61 3.58 -0.31 -3.46 116.42 118.66 1qpl h ASP 11 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1qpl h ASP 11 Cb 0.00 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1qpl h ASP 11 CO 0.00 0.76 0.00 0.61 -2.88 0.00 0.00 179.24 177.73 1qpl n GLY 12 N -0.96 2.40 0.78 -0.78 0.00 -1.26 -4.75 105.19 100.62 1qpl n GLY 12 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qpl n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpl n ARG 13 N -2.00 0.00 -2.68 1.61 1.74 -1.26 -5.03 116.66 109.04 1qpl n ARG 13 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1qpl n ARG 13 Cb 0.00 -0.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1qpl n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1qpl s THR 14 N -1.89 4.48 0.09 0.55 2.01 -1.26 -5.03 115.64 114.59 1qpl s THR 14 Ca 0.00 1.49 0.10 0.00 0.31 0.00 0.00 61.69 63.59 1qpl s THR 14 Cb 0.00 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 1qpl s THR 14 CO 0.00 -0.59 -0.26 -0.36 -0.69 0.00 0.00 174.62 172.73 1qpl s PHE 15 N 3.74 2.21 0.25 4.92 0.08 -1.26 -1.38 117.98 126.54 1qpl s PHE 15 Ca 0.44 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.78 1qpl s PHE 15 Cb -0.11 -1.24 -0.13 0.00 -0.57 0.00 0.00 43.02 40.97 1qpl s PHE 15 CO 0.19 0.24 1.52 -2.30 -0.10 0.00 0.00 175.22 174.77 1qpl n PRO 16 N 1.27 2.38 -3.90 0.24 -0.02 -1.26 -5.02 135.00 128.69 1qpl n PRO 16 Ca -0.18 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 1qpl n PRO 16 Cb 0.53 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 1qpl n PRO 16 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qpl s LYS 17 N -0.24 3.45 -0.60 -0.52 2.20 -1.26 -4.96 119.74 117.80 1qpl s LYS 17 Ca 0.68 -0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 55.68 1qpl s LYS 17 Cb -0.58 -3.07 -0.09 0.00 -1.51 0.00 0.00 37.83 32.59 1qpl s LYS 17 CO 0.47 0.65 2.36 0.50 -0.36 0.00 0.00 175.35 178.97 1qpl s ARG 18 N -2.14 2.00 0.00 4.03 3.52 -1.26 -1.07 118.95 124.03 1qpl s ARG 18 Ca 0.30 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 1qpl s ARG 18 Cb -0.13 -4.65 0.00 0.00 -1.56 0.00 0.00 34.95 28.62 1qpl s ARG 18 CO 0.22 -3.59 0.00 0.41 -0.81 0.00 0.00 175.30 171.52 1qpl n GLY 19 N 6.25 1.10 3.91 8.12 0.00 -0.98 -5.01 105.19 118.59 1qpl n GLY 19 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1qpl n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qpl s GLN 20 N 0.00 2.48 -0.23 1.61 -0.21 -0.23 -4.75 119.66 118.33 1qpl s GLN 20 Ca 0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 55.36 55.28 1qpl s GLN 20 Cb 0.00 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1qpl s GLN 20 CO 0.00 -1.10 0.10 0.99 -2.12 0.00 0.00 175.29 173.16 1qpl s THR 21 N -3.24 4.80 -0.22 -0.19 2.01 -1.25 -1.55 115.64 115.99 1qpl s THR 21 Ca 0.58 -0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.44 1qpl s THR 21 Cb -0.11 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1qpl s THR 21 CO 0.47 0.36 0.27 0.00 -0.69 0.00 0.00 174.62 175.02 1qpl s VAL 23 N 1.17 4.35 0.29 0.00 1.01 -0.76 -2.58 120.40 123.90 1qpl s VAL 23 Ca 0.13 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1qpl s VAL 23 Cb -0.14 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1qpl s VAL 23 CO 0.06 -0.17 0.04 0.68 0.00 0.00 0.00 175.10 175.71 1qpl s VAL 24 N 1.52 1.10 -0.01 2.92 -7.23 -0.29 -0.70 120.40 117.71 1qpl s VAL 24 Ca 0.01 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1qpl s VAL 24 Cb -0.19 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1qpl s VAL 24 CO 0.05 -0.09 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.61 1qpl s HIS 25 N -3.37 1.31 0.24 2.82 3.76 -0.92 0.27 115.29 119.40 1qpl s HIS 25 Ca 0.35 -0.25 -0.20 0.00 -0.15 0.00 0.00 55.06 54.80 1qpl s HIS 25 Cb 0.08 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.95 1qpl s HIS 25 CO 0.14 -0.02 0.65 1.52 -0.85 0.00 0.00 174.74 176.17 1qpl s TYR 26 N -0.36 -0.23 0.05 1.40 1.13 -1.25 -0.38 117.35 117.71 1qpl s TYR 26 Ca 0.06 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 1qpl s TYR 26 Cb -0.06 0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1qpl s TYR 26 CO -0.00 -1.09 -0.10 0.95 -2.51 0.00 0.00 175.55 172.80 1qpl s THR 27 N -3.88 0.72 -0.06 -3.49 -4.23 -0.88 -1.21 115.64 102.61 1qpl s THR 27 Ca 0.09 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1qpl s THR 27 Cb -0.04 -0.78 0.01 0.00 1.34 0.00 0.00 72.50 73.03 1qpl s THR 27 CO 0.01 -0.34 -0.13 -0.83 -0.54 0.00 0.00 174.62 172.78 1qpl s GLY 28 N -1.66 0.82 0.15 3.99 0.00 0.59 -1.24 107.32 109.96 1qpl s GLY 28 Ca -0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 1qpl s GLY 28 CO 0.01 -0.00 0.12 -3.16 0.00 0.00 0.00 173.10 170.06 1qpl s MET 29 N 0.49 1.03 0.40 2.90 0.23 -0.49 -0.50 119.30 123.36 1qpl s MET 29 Ca -0.12 -1.43 0.08 0.00 -1.03 0.00 0.00 55.69 53.18 1qpl s MET 29 Cb -0.14 0.27 0.00 0.00 -1.53 0.00 0.00 34.83 33.43 1qpl s MET 29 CO 0.03 -0.32 0.52 -0.51 -2.03 0.00 0.00 175.02 172.72 1qpl s LEU 30 N -3.06 3.72 0.30 0.18 1.43 -0.14 -1.08 118.68 120.03 1qpl s LEU 30 Ca 0.26 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1qpl s LEU 30 Cb 0.07 -2.63 0.65 0.00 0.03 0.00 0.00 46.19 44.30 1qpl s LEU 30 CO 0.04 -0.66 1.82 -0.33 0.23 0.00 0.00 176.35 177.45 1qpl h GLU 31 N 0.75 0.86 -1.56 1.70 5.08 -1.90 -1.00 114.58 118.52 1qpl h GLU 31 Ca -0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1qpl h GLU 31 Cb 1.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1qpl h GLU 31 CO 0.48 0.57 0.00 -0.40 -1.00 0.00 0.00 179.01 178.66 1qpl n ASP 32 N -4.66 4.06 0.00 1.42 5.68 -1.26 -4.86 116.55 116.93 1qpl n ASP 32 Ca 0.20 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1qpl n ASP 32 Cb 0.44 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1qpl n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qpl n GLY 33 N 1.06 0.91 2.59 6.12 0.00 -0.38 -4.94 105.19 110.55 1qpl n GLY 33 Ca 0.00 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1qpl n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qpl n LYS 34 N 0.00 0.00 -3.06 1.61 5.02 -1.26 -4.26 118.16 116.21 1qpl n LYS 34 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1qpl n LYS 34 Cb 0.00 -1.06 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1qpl n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qpl s LYS 35 N 2.43 3.78 0.00 1.97 1.02 -1.26 -0.96 119.74 126.72 1qpl s LYS 35 Ca 0.76 0.38 0.00 0.00 0.02 0.00 0.00 55.97 57.13 1qpl s LYS 35 Cb -1.06 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1qpl s LYS 35 CO 0.56 0.08 0.05 1.97 -0.92 0.00 0.00 175.35 177.09 1qpl n PHE 36 N -0.97 0.00 -3.57 3.18 1.16 0.34 -4.95 117.46 112.66 1qpl n PHE 36 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.49 1qpl n PHE 36 Cb 0.54 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.36 1qpl n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1qpl s ASP 37 N -0.25 -0.36 -0.30 5.98 2.15 -1.19 -4.99 116.67 117.71 1qpl s ASP 37 Ca 0.00 0.33 -0.07 0.00 0.43 0.00 0.00 52.55 53.24 1qpl s ASP 37 Cb 0.00 0.31 0.17 0.00 -0.30 0.00 0.00 42.92 43.10 1qpl s ASP 37 CO 0.00 -0.38 0.71 -0.55 -0.17 0.00 0.00 175.17 174.78 1qpl s SER 38 N -1.35 -1.12 0.34 -0.34 0.15 -1.26 -0.30 113.70 109.81 1qpl s SER 38 Ca -0.00 1.03 0.17 0.00 0.70 0.00 0.00 55.95 57.84 1qpl s SER 38 Cb -0.01 2.07 0.50 0.00 -1.71 0.00 0.00 66.02 66.88 1qpl s SER 38 CO -0.00 -0.21 1.65 0.77 1.20 0.00 0.00 173.24 176.65 1qpl h SER 39 N 7.94 0.00 -0.90 5.45 4.64 -1.46 -3.14 113.55 126.09 1qpl h SER 39 Ca -0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1qpl h SER 39 Cb 1.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 1qpl h SER 39 CO 0.15 0.44 0.51 0.03 -0.87 0.00 0.00 176.83 177.09 1qpl h ARG 40 N 0.00 1.24 -0.01 4.77 3.08 -1.85 -2.13 114.38 119.48 1qpl h ARG 40 Ca -0.00 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1qpl h ARG 40 Cb 1.04 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1qpl h ARG 40 CO 0.06 0.90 -0.33 -0.44 -1.07 0.00 0.00 179.97 179.09 1qpl h ASP 41 N 1.25 0.02 -0.57 7.04 5.19 -1.90 -2.53 116.42 124.92 1qpl h ASP 41 Ca 0.32 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1qpl h ASP 41 Cb 0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1qpl h ASP 41 CO -0.05 0.35 0.00 -2.11 -3.12 0.00 0.00 179.24 174.31 1qpl n ARG 42 N -4.15 3.04 -0.68 3.56 1.85 -0.87 -4.95 116.66 114.47 1qpl n ARG 42 Ca -0.02 -2.36 -0.02 0.00 -1.00 0.00 0.00 57.85 54.45 1qpl n ARG 42 Cb 0.37 -1.70 -0.01 0.00 -1.05 0.00 0.00 32.46 30.07 1qpl n ARG 42 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1qpl n ASN 43 N 1.05 -3.01 -4.08 2.89 3.02 -0.86 -4.91 115.26 109.36 1qpl n ASN 43 Ca 0.21 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.50 1qpl n ASN 43 Cb 0.69 -2.18 -0.15 0.00 -0.61 0.00 0.00 39.78 37.54 1qpl n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1qpl s LYS 44 N -1.42 2.27 0.45 3.52 2.20 -1.17 -5.03 119.74 120.55 1qpl s LYS 44 Ca 0.00 -1.34 -0.24 0.00 -0.36 0.00 0.00 55.97 54.03 1qpl s LYS 44 Cb 0.00 -2.92 -0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1qpl s LYS 44 CO 0.00 -0.57 1.28 -2.14 -0.36 0.00 0.00 175.35 173.56 1qpl s PRO 45 N 1.12 3.72 -0.13 4.03 0.02 -1.26 -4.73 135.00 137.76 1qpl s PRO 45 Ca -0.09 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 62.74 1qpl s PRO 45 Cb -0.20 -2.55 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 1qpl s PRO 45 CO -0.05 -0.67 0.92 0.12 -0.33 0.00 0.00 177.00 176.99 1qpl s PHE 46 N -1.34 3.47 -0.11 6.54 5.36 0.14 -4.85 117.98 127.20 1qpl s PHE 46 Ca 0.62 1.44 -0.01 0.00 -0.96 0.00 0.00 56.93 58.02 1qpl s PHE 46 Cb -0.36 -3.10 -0.03 0.00 -0.34 0.00 0.00 43.02 39.19 1qpl s PHE 46 CO 0.45 -0.23 -0.07 0.15 -1.46 0.00 0.00 175.22 174.06 1qpl s LYS 47 N 2.06 3.15 -0.08 10.12 1.02 -1.26 -1.14 119.74 133.62 1qpl s LYS 47 Ca 0.44 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 1qpl s LYS 47 Cb -0.17 -2.69 0.08 0.00 -0.52 0.00 0.00 37.83 34.52 1qpl s LYS 47 CO 0.15 0.44 0.72 -0.59 -0.92 0.00 0.00 175.35 175.15 1qpl s PHE 48 N -0.21 -0.64 0.12 3.18 -0.71 -1.06 -5.01 117.98 113.65 1qpl s PHE 48 Ca 0.03 1.14 -0.12 0.00 -1.04 0.00 0.00 56.93 56.93 1qpl s PHE 48 Cb -0.13 0.40 -0.06 0.00 -1.21 0.00 0.00 43.02 42.02 1qpl s PHE 48 CO 0.03 -0.56 0.49 -1.64 -1.34 0.00 0.00 175.22 172.20 1qpl s MET 49 N -1.04 3.89 0.14 1.99 -1.94 -1.26 -0.79 119.30 120.29 1qpl s MET 49 Ca -0.09 0.37 -0.27 0.00 -1.71 0.00 0.00 55.69 53.99 1qpl s MET 49 Cb -0.00 -2.95 -0.07 0.00 2.01 0.00 0.00 34.83 33.81 1qpl s MET 49 CO 0.08 0.51 0.84 -1.17 -0.01 0.00 0.00 175.02 175.27 1qpl s LEU 50 N -1.95 4.55 0.00 -0.03 2.96 -0.60 -3.86 118.68 119.75 1qpl s LEU 50 Ca 0.36 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1qpl s LEU 50 Cb -0.15 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1qpl s LEU 50 CO 0.19 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 1qpl n GLY 51 N 1.87 0.62 1.43 7.98 0.00 -1.26 -2.31 105.19 113.53 1qpl n GLY 51 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1qpl n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qpl n LYS 52 N -2.04 3.24 -3.39 1.61 4.76 -1.25 -4.93 118.16 116.16 1qpl n LYS 52 Ca 0.00 -2.60 -0.24 0.00 -2.87 0.00 0.00 58.31 52.60 1qpl n LYS 52 Cb 0.04 -1.75 0.06 0.00 -1.84 0.00 0.00 35.03 31.54 1qpl n LYS 52 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1qpl n GLN 53 N 1.20 -6.57 0.00 1.97 7.27 -1.26 -4.89 117.38 115.11 1qpl n GLN 53 Ca 0.24 0.84 0.11 0.00 0.07 0.00 0.00 57.00 58.26 1qpl n GLN 53 Cb 0.76 -5.81 0.12 0.00 2.41 0.00 0.00 30.24 27.71 1qpl n GLN 53 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1qpl n GLU 54 N -4.59 0.04 -4.09 3.69 1.02 -1.26 -4.96 120.64 110.48 1qpl n GLU 54 Ca -0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1qpl n GLU 54 Cb 0.58 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.40 1qpl n GLU 54 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qpl s VAL 55 N -3.02 0.09 0.70 2.62 -7.23 -1.26 -5.03 120.40 107.26 1qpl s VAL 55 Ca 0.09 -1.74 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1qpl s VAL 55 Cb 0.17 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 35.16 1qpl s VAL 55 CO 0.76 -0.42 1.16 0.27 -0.31 0.00 0.00 175.10 176.56 1qpl s ILE 56 N -4.02 2.70 0.21 -0.62 -4.36 -1.26 -4.73 121.20 109.12 1qpl s ILE 56 Ca 0.22 0.34 -0.16 0.00 -0.26 0.00 0.00 60.65 60.78 1qpl s ILE 56 Cb 0.06 -2.88 0.22 0.00 1.25 0.00 0.00 42.46 41.11 1qpl s ILE 56 CO 0.01 -0.19 1.59 0.03 0.24 0.00 0.00 174.94 176.62 1qpl h ARG 57 N -0.15 -0.07 -0.48 0.37 3.08 -1.79 -0.85 114.38 114.48 1qpl h ARG 57 Ca -0.47 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.68 1qpl h ARG 57 Cb 1.27 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 1qpl h ARG 57 CO 0.51 -0.05 -0.08 0.78 -1.07 0.00 0.00 179.97 180.07 1qpl h GLY 58 N -0.08 0.40 0.95 0.04 0.00 -1.70 -0.27 103.07 102.42 1qpl h GLY 58 Ca 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1qpl h GLY 58 CO -0.74 -0.17 0.14 1.49 0.00 0.00 0.00 176.54 177.26 1qpl h TRP 59 N 0.04 0.36 -0.33 5.60 4.06 -1.57 0.30 115.95 124.41 1qpl h TRP 59 Ca 0.23 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.24 1qpl h TRP 59 Cb 0.36 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.32 1qpl h TRP 59 CO -0.37 0.31 -0.37 0.93 -3.56 0.00 0.00 178.44 175.38 1qpl h GLU 60 N 0.31 -0.32 0.06 0.49 4.39 0.12 0.20 114.58 119.83 1qpl h GLU 60 Ca 0.09 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1qpl h GLU 60 Cb 0.07 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1qpl h GLU 60 CO -0.01 -0.21 -0.38 1.49 -1.16 0.00 0.00 179.01 178.73 1qpl h GLU 61 N -0.33 0.15 -0.68 2.33 4.57 -1.04 -2.77 114.58 116.82 1qpl h GLU 61 Ca 0.14 -0.25 0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1qpl h GLU 61 Cb 0.57 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 1qpl h GLU 61 CO -0.51 1.10 0.35 0.78 -1.18 0.00 0.00 179.01 179.55 1qpl h GLY 62 N -0.67 1.01 1.77 1.92 0.00 -0.31 -1.98 103.07 104.81 1qpl h GLY 62 Ca -0.07 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 1qpl h GLY 62 CO 0.07 0.10 -0.85 -2.08 0.00 0.00 0.00 176.54 173.78 1qpl h VAL 63 N 0.63 1.48 -0.03 4.60 2.07 -0.74 -3.18 116.25 121.08 1qpl h VAL 63 Ca 0.32 -2.56 0.01 0.00 0.82 0.00 0.00 66.70 65.29 1qpl h VAL 63 Cb 0.28 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1qpl h VAL 63 CO -0.23 0.75 0.07 0.00 0.02 0.00 0.00 177.57 178.18 1qpl h ALA 64 N 0.98 1.28 -0.38 1.67 0.00 -1.05 -1.40 119.26 120.37 1qpl h ALA 64 Ca -0.04 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1qpl h ALA 64 Cb 1.47 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 1qpl h ALA 64 CO 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 1qpl n GLN 65 N -3.34 1.85 -4.45 0.00 10.64 -1.12 -4.40 117.38 116.56 1qpl n GLN 65 Ca -0.02 -3.19 -0.33 0.00 -1.83 0.00 0.00 57.00 51.62 1qpl n GLN 65 Cb 0.15 -1.83 -0.15 0.00 -0.86 0.00 0.00 30.24 27.55 1qpl n GLN 65 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1qpl s MET 66 N -3.26 3.23 0.54 2.61 1.75 -0.53 -5.09 119.30 118.55 1qpl s MET 66 Ca 0.45 -0.74 -0.13 0.00 -1.25 0.00 0.00 55.69 54.02 1qpl s MET 66 Cb 0.41 -2.66 -0.06 0.00 2.84 0.00 0.00 34.83 35.36 1qpl s MET 66 CO -0.00 -0.01 0.96 -1.54 -0.65 0.00 0.00 175.02 173.78 1qpl s SER 67 N 0.89 6.45 0.49 1.11 1.04 -1.26 -4.37 113.70 118.04 1qpl s SER 67 Ca -0.04 1.42 -0.23 0.00 0.48 0.00 0.00 55.95 57.58 1qpl s SER 67 Cb -0.15 -2.46 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 1qpl s SER 67 CO -0.01 -0.67 1.32 0.55 0.98 0.00 0.00 173.24 175.41 1qpl n VAL 68 N -2.01 3.17 0.00 5.02 3.14 -0.48 -1.82 118.33 125.36 1qpl n VAL 68 Ca 0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1qpl n VAL 68 Cb 0.54 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 1qpl n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qpl n GLY 69 N 0.78 2.84 3.76 7.55 0.00 0.42 0.37 105.19 120.90 1qpl n GLY 69 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1qpl n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qpl s GLN 70 N -0.27 4.64 -0.17 1.61 0.74 -0.76 -4.54 119.66 120.90 1qpl s GLN 70 Ca 0.00 1.80 0.00 0.00 0.05 0.00 0.00 55.36 57.22 1qpl s GLN 70 Cb 0.00 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.92 1qpl s GLN 70 CO 0.00 0.20 -0.17 0.50 -0.55 0.00 0.00 175.29 175.27 1qpl s ARG 71 N -1.37 3.12 0.11 1.67 3.52 -1.10 -1.45 118.95 123.44 1qpl s ARG 71 Ca 0.45 -0.78 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1qpl s ARG 71 Cb -0.32 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1qpl s ARG 71 CO 0.41 -0.11 -0.09 0.00 -0.81 0.00 0.00 175.30 174.69 1qpl s ALA 72 N 1.10 1.17 -0.29 6.12 0.00 -0.54 0.27 121.76 129.58 1qpl s ALA 72 Ca 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1qpl s ALA 72 Cb -0.14 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1qpl s ALA 72 CO -0.06 -0.09 0.15 0.21 0.00 0.00 0.00 175.76 175.97 1qpl s LYS 73 N -3.19 3.59 -0.21 0.00 2.20 -0.46 -1.83 119.74 119.83 1qpl s LYS 73 Ca 0.09 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 1qpl s LYS 73 Cb -0.00 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1qpl s LYS 73 CO -0.01 -0.30 0.14 -0.51 -0.36 0.00 0.00 175.35 174.31 1qpl s LEU 74 N 1.66 4.15 -0.80 5.43 1.43 0.67 -1.58 118.68 129.65 1qpl s LEU 74 Ca 0.06 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1qpl s LEU 74 Cb -0.16 -2.09 0.20 0.00 0.03 0.00 0.00 46.19 44.17 1qpl s LEU 74 CO 0.07 0.14 0.65 -0.89 0.23 0.00 0.00 176.35 176.55 1qpl s THR 75 N 0.60 3.83 0.04 5.49 2.01 -0.45 -0.67 115.64 126.49 1qpl s THR 75 Ca 0.08 -3.85 -0.30 0.00 0.31 0.00 0.00 61.69 57.92 1qpl s THR 75 Cb -0.12 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1qpl s THR 75 CO 0.00 -1.03 1.05 -0.63 -0.69 0.00 0.00 174.62 173.32 1qpl s ILE 76 N -1.19 4.53 0.38 1.82 1.01 -0.30 -2.68 121.20 124.77 1qpl s ILE 76 Ca 0.25 1.86 -0.22 0.00 0.00 0.00 0.00 60.65 62.53 1qpl s ILE 76 Cb -0.09 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 1qpl s ILE 76 CO -0.12 0.17 0.93 -0.94 0.00 0.00 0.00 174.94 174.97 1qpl s SER 77 N 0.88 7.08 0.30 3.58 1.04 -0.68 -2.22 113.70 123.68 1qpl s SER 77 Ca 0.53 1.71 0.04 0.00 0.48 0.00 0.00 55.95 58.71 1qpl s SER 77 Cb -0.24 -2.54 0.78 0.00 0.10 0.00 0.00 66.02 64.12 1qpl s SER 77 CO 0.29 -0.23 1.62 -0.65 0.98 0.00 0.00 173.24 175.25 1qpl h PRO 78 N 2.46 0.13 0.00 4.02 0.11 -1.87 0.24 132.00 137.09 1qpl h PRO 78 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qpl h PRO 78 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qpl h PRO 78 CO 0.63 0.09 0.00 0.38 -0.21 0.00 0.00 178.00 178.89 1qpl h ASP 79 N 0.14 0.00 0.00 -2.05 2.03 -1.92 1.04 116.42 115.66 1qpl h ASP 79 Ca 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.89 1qpl h ASP 79 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1qpl h ASP 79 CO -0.73 0.00 -1.22 -1.22 -1.03 0.00 0.00 179.24 175.04 1qpl n TYR 80 N -2.60 0.00 0.00 4.15 4.02 0.79 -4.80 117.16 118.72 1qpl n TYR 80 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1qpl n TYR 80 Cb 0.13 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1qpl n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qpl n ALA 81 N -1.67 0.00 -2.97 -0.72 0.00 -0.35 -1.70 120.51 113.10 1qpl n ALA 81 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 1qpl n ALA 81 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1qpl n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qpl n TYR 82 N 0.00 3.77 0.22 0.00 4.02 -1.05 -4.87 117.16 119.25 1qpl n TYR 82 Ca 0.00 -3.78 -0.15 0.00 -0.01 0.00 0.00 57.90 53.96 1qpl n TYR 82 Cb 0.00 -0.62 -0.07 0.00 -0.02 0.00 0.00 39.34 38.62 1qpl n TYR 82 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1qpl h GLY 83 N 3.40 -0.67 0.98 2.72 0.00 0.75 -1.30 103.07 108.94 1qpl h GLY 83 Ca 0.20 0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 1qpl h GLY 83 CO 0.89 -0.26 -0.31 0.00 0.00 0.00 0.00 176.54 176.86 1qpl h ALA 84 N -0.07 -0.87 0.00 3.60 0.00 -1.91 -2.03 119.26 117.99 1qpl h ALA 84 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qpl h ALA 84 Cb 0.55 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qpl h ALA 84 CO -0.01 -0.97 -1.26 2.41 0.00 0.00 0.00 179.25 179.42 1qpl n THR 85 N -5.45 0.00 -4.10 0.00 -1.04 -1.25 -4.71 114.28 97.73 1qpl n THR 85 Ca -0.13 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1qpl n THR 85 Cb 0.36 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1qpl n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qpl n GLY 86 N 2.18 0.55 2.98 3.41 0.00 -0.49 -4.09 105.19 109.74 1qpl n GLY 86 Ca -0.01 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1qpl n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qpl s HIS 87 N 0.00 -0.73 -0.40 1.61 5.04 0.63 -4.86 115.29 116.58 1qpl s HIS 87 Ca 0.00 0.94 -0.40 0.00 -1.54 0.00 0.00 55.06 54.06 1qpl s HIS 87 Cb 0.00 0.04 -0.17 0.00 0.04 0.00 0.00 32.58 32.49 1qpl s HIS 87 CO 0.00 -0.62 1.33 -2.30 -2.34 0.00 0.00 174.74 170.81 1qpl n PRO 88 N 5.36 0.00 0.00 2.88 -0.02 -1.26 -0.02 135.00 141.95 1qpl n PRO 88 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1qpl n PRO 88 Cb 0.50 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1qpl n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpl n GLY 89 N 3.28 2.62 0.53 -1.23 0.00 -1.26 -4.68 105.19 104.45 1qpl n GLY 89 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 1qpl n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qpl n ILE 90 N -0.21 1.25 -4.55 -0.61 5.41 -0.53 -5.02 119.36 115.09 1qpl n ILE 90 Ca 0.00 0.15 -0.33 0.00 1.00 0.00 0.00 62.75 63.57 1qpl n ILE 90 Cb 0.00 -1.93 -0.13 0.00 -0.71 0.00 0.00 39.64 36.87 1qpl n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1qpl s ILE 91 N -2.44 3.54 0.68 1.39 1.09 0.98 -4.97 121.20 121.47 1qpl s ILE 91 Ca -0.17 -0.48 -0.11 0.00 -1.10 0.00 0.00 60.65 58.78 1qpl s ILE 91 Cb 0.04 -2.53 -0.00 0.00 -1.06 0.00 0.00 42.46 38.91 1qpl s ILE 91 CO 0.24 0.50 1.07 -2.16 -0.10 0.00 0.00 174.94 174.49 1qpl s PRO 92 N 0.38 3.06 0.59 2.79 0.04 -1.26 -0.27 135.00 140.33 1qpl s PRO 92 Ca -0.07 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 1qpl s PRO 92 Cb -0.15 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1qpl s PRO 92 CO 0.04 -0.93 1.12 -2.14 0.04 0.00 0.00 177.00 175.13 1qpl s PRO 93 N -5.24 3.15 -0.06 0.56 0.02 -1.26 -3.52 135.00 128.66 1qpl s PRO 93 Ca 0.57 1.50 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1qpl s PRO 93 Cb -0.12 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1qpl s PRO 93 CO 0.53 -0.99 0.00 0.72 -0.33 0.00 0.00 177.00 176.93 1qpl n HIS 94 N -1.75 0.00 -2.81 6.54 8.25 -0.76 -4.97 115.22 119.73 1qpl n HIS 94 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 1qpl n HIS 94 Cb 0.51 -1.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.11 1qpl n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qpl s ALA 95 N -1.34 3.34 0.06 -1.41 0.00 -1.23 -4.80 121.76 116.39 1qpl s ALA 95 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1qpl s ALA 95 Cb 0.00 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1qpl s ALA 95 CO 0.00 0.17 0.49 0.99 0.00 0.00 0.00 175.76 177.41 1qpl s THR 96 N -0.85 4.90 0.05 0.00 2.01 -1.26 -4.12 115.64 116.36 1qpl s THR 96 Ca 0.41 0.92 0.08 0.00 0.31 0.00 0.00 61.69 63.41 1qpl s THR 96 Cb -0.24 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1qpl s THR 96 CO 0.30 0.47 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.74 1qpl s LEU 97 N -1.35 2.52 -0.20 4.42 1.43 -0.94 -3.90 118.68 120.66 1qpl s LEU 97 Ca 0.29 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1qpl s LEU 97 Cb -0.17 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.61 1qpl s LEU 97 CO 0.17 0.25 -0.16 -0.69 0.23 0.00 0.00 176.35 176.15 1qpl s VAL 98 N -0.92 2.26 -0.15 -1.59 1.01 -0.24 -1.15 120.40 119.62 1qpl s VAL 98 Ca 0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1qpl s VAL 98 Cb -0.10 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1qpl s VAL 98 CO 0.05 0.42 -0.12 -0.36 0.00 0.00 0.00 175.10 175.09 1qpl s PHE 99 N 1.28 2.83 -0.77 5.22 0.08 0.16 -1.40 117.98 125.38 1qpl s PHE 99 Ca 0.03 -0.74 -0.16 0.00 0.12 0.00 0.00 56.93 56.17 1qpl s PHE 99 Cb -0.14 -1.89 0.17 0.00 -0.57 0.00 0.00 43.02 40.59 1qpl s PHE 99 CO -0.10 -0.29 0.81 0.34 -0.10 0.00 0.00 175.22 175.87 1qpl s ASP 100 N 0.57 6.55 -0.12 1.36 -1.08 -0.38 -0.24 116.67 123.34 1qpl s ASP 100 Ca -0.08 -2.19 -0.02 0.00 -0.52 0.00 0.00 52.55 49.75 1qpl s ASP 100 Cb -0.16 -2.27 -0.03 0.00 -1.46 0.00 0.00 42.92 39.01 1qpl s ASP 100 CO 0.03 -0.83 -0.06 0.54 0.52 0.00 0.00 175.17 175.38 1qpl s VAL 101 N 1.41 3.72 -0.21 1.11 0.11 -0.76 -2.07 120.40 123.70 1qpl s VAL 101 Ca 0.18 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1qpl s VAL 101 Cb -0.14 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1qpl s VAL 101 CO -0.05 0.54 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.46 1qpl s GLU 102 N -0.07 3.08 -0.83 1.54 2.12 0.49 -1.47 118.70 123.55 1qpl s GLU 102 Ca 0.01 -0.80 -0.26 0.00 0.36 0.00 0.00 54.97 54.28 1qpl s GLU 102 Cb -0.13 -2.85 0.03 0.00 0.26 0.00 0.00 34.13 31.44 1qpl s GLU 102 CO 0.03 -0.26 1.42 -1.17 -0.54 0.00 0.00 175.26 174.74 1qpl s LEU 103 N 1.36 3.28 0.00 2.70 1.98 -0.53 -2.18 118.68 125.30 1qpl s LEU 103 Ca 0.04 -0.73 -0.24 0.00 -2.89 0.00 0.00 54.13 50.31 1qpl s LEU 103 Cb -0.15 -2.56 -0.14 0.00 0.66 0.00 0.00 46.19 44.00 1qpl s LEU 103 CO -0.07 -1.82 1.06 -0.07 -1.89 0.00 0.00 176.35 173.56 1qpl h LEU 104 N 13.49 -0.57 0.00 -0.68 3.38 -1.23 0.12 115.31 129.82 1qpl h LEU 104 Ca -0.10 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1qpl h LEU 104 Cb 1.04 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1qpl h LEU 104 CO 1.32 -0.18 0.37 2.29 0.09 0.00 0.00 178.44 182.33 1qpl n LYS 105 N -5.25 0.78 -4.44 1.13 2.85 -1.14 -4.31 118.16 107.79 1qpl n LYS 105 Ca -0.10 -1.62 -0.26 0.00 -1.05 0.00 0.00 58.31 55.28 1qpl n LYS 105 Cb 0.31 2.09 -0.11 0.00 -0.65 0.00 0.00 35.03 36.66 1qpl n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qpl s LEU 106 N 0.00 2.48 0.00 -5.58 1.43 -1.26 -1.82 118.68 113.93 1qpl s LEU 106 Ca 0.17 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1qpl s LEU 106 Cb -0.03 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1qpl s LEU 106 CO 0.08 0.09 0.00 -0.62 0.23 0.00 0.00 176.35 176.13