#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpf s VAL 2 N 0.00 3.11 -0.10 1.61 0.11 -1.26 -1.54 120.40 122.33 1qpf s VAL 2 Ca 0.00 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1qpf s VAL 2 Cb 0.00 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1qpf s VAL 2 CO 0.00 0.57 -0.22 -1.10 -3.33 0.00 0.00 175.10 171.02 1qpf s GLN 3 N -0.44 2.84 -0.15 1.54 -0.21 -0.53 -4.93 119.66 117.78 1qpf s GLN 3 Ca 0.05 -0.80 -0.05 0.00 0.02 0.00 0.00 55.36 54.58 1qpf s GLN 3 Cb -0.12 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 1qpf s GLN 3 CO 0.02 0.12 0.04 0.08 -2.12 0.00 0.00 175.29 173.43 1qpf s VAL 4 N 0.48 4.62 -0.27 1.09 1.01 -1.26 -0.86 120.40 125.21 1qpf s VAL 4 Ca -0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1qpf s VAL 4 Cb -0.17 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.26 1qpf s VAL 4 CO 0.06 0.52 0.06 -0.70 0.00 0.00 0.00 175.10 175.04 1qpf s GLU 5 N -0.10 0.87 0.02 2.72 2.12 -0.75 -4.94 118.70 118.64 1qpf s GLU 5 Ca 0.06 -0.94 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 1qpf s GLU 5 Cb -0.12 -2.16 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 1qpf s GLU 5 CO 0.01 -0.84 1.48 0.99 -0.54 0.00 0.00 175.26 176.36 1qpf s THR 6 N 1.61 3.52 -0.18 -1.70 2.01 -1.26 -0.79 115.64 118.84 1qpf s THR 6 Ca 0.05 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 62.79 1qpf s THR 6 Cb -0.18 -3.58 -0.13 0.00 0.01 0.00 0.00 72.50 68.63 1qpf s THR 6 CO -0.17 -0.01 0.06 0.40 -0.69 0.00 0.00 174.62 174.21 1qpf h ILE 7 N 4.91 0.54 -3.66 1.82 1.08 -0.53 -3.48 117.51 118.20 1qpf h ILE 7 Ca -0.39 -1.70 -0.46 0.00 -0.39 0.00 0.00 64.86 61.92 1qpf h ILE 7 Cb 1.18 1.31 -0.32 0.00 -3.07 0.00 0.00 36.82 35.93 1qpf h ILE 7 CO 0.91 0.18 -0.80 -0.44 -0.69 0.00 0.00 178.15 177.32 1qpf s SER 8 N -6.39 1.43 0.74 1.72 0.01 -0.68 -4.99 113.70 105.53 1qpf s SER 8 Ca -0.23 -0.23 -0.15 0.00 1.31 0.00 0.00 55.95 56.66 1qpf s SER 8 Cb 0.04 -0.51 0.04 0.00 0.21 0.00 0.00 66.02 65.80 1qpf s SER 8 CO 0.44 0.05 1.20 -2.84 0.41 0.00 0.00 173.24 172.50 1qpf s PRO 9 N 0.41 2.11 0.08 12.44 0.02 -1.26 -1.00 135.00 147.80 1qpf s PRO 9 Ca -0.08 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.69 1qpf s PRO 9 Cb -0.12 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1qpf s PRO 9 CO 0.02 -1.85 0.07 0.41 -0.33 0.00 0.00 177.00 175.31 1qpf n GLY 10 N 0.34 2.78 0.25 0.52 0.00 -1.26 -4.02 105.19 103.80 1qpf n GLY 10 Ca 0.13 -2.18 0.17 0.00 0.00 0.00 0.00 46.02 44.14 1qpf n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qpf h ASP 11 N 0.08 0.00 -0.15 1.61 2.03 -1.64 -3.46 116.42 114.89 1qpf h ASP 11 Ca -0.05 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.19 1qpf h ASP 11 Cb 0.18 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.65 1qpf h ASP 11 CO 0.07 0.00 -0.06 0.61 -1.03 0.00 0.00 179.24 178.83 1qpf n GLY 12 N -0.46 0.51 1.30 7.15 0.00 -1.26 -4.79 105.19 107.63 1qpf n GLY 12 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1qpf n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpf n ARG 13 N -1.30 0.00 -2.81 1.61 1.74 -1.26 -5.02 116.66 109.62 1qpf n ARG 13 Ca -0.03 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 1qpf n ARG 13 Cb 0.30 -0.35 -0.04 0.00 -1.02 0.00 0.00 32.46 31.35 1qpf n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1qpf s THR 14 N -2.00 4.49 0.02 0.55 2.01 -1.26 -5.02 115.64 114.42 1qpf s THR 14 Ca 0.00 0.83 0.07 0.00 0.31 0.00 0.00 61.69 62.91 1qpf s THR 14 Cb 0.00 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1qpf s THR 14 CO 0.00 -0.78 -0.21 -0.36 -0.69 0.00 0.00 174.62 172.58 1qpf s PHE 15 N 3.72 2.48 0.13 4.92 0.40 -1.26 -2.47 117.98 125.89 1qpf s PHE 15 Ca 0.37 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 1qpf s PHE 15 Cb -0.10 -1.47 -0.09 0.00 0.51 0.00 0.00 43.02 41.87 1qpf s PHE 15 CO 0.25 0.16 1.46 -1.25 0.70 0.00 0.00 175.22 176.54 1qpf s PRO 16 N -1.15 4.28 0.24 0.24 0.04 -1.26 -5.01 135.00 132.38 1qpf s PRO 16 Ca 0.13 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.26 1qpf s PRO 16 Cb -0.10 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1qpf s PRO 16 CO 0.03 -0.51 0.53 0.15 0.04 0.00 0.00 177.00 177.24 1qpf s LYS 17 N 1.21 3.72 -0.26 4.56 -0.14 -1.26 -4.94 119.74 122.63 1qpf s LYS 17 Ca 0.67 0.14 -0.28 0.00 -1.36 0.00 0.00 55.97 55.13 1qpf s LYS 17 Cb -0.39 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 1qpf s LYS 17 CO 0.30 0.30 2.00 0.50 -0.76 0.00 0.00 175.35 177.69 1qpf s ARG 18 N -3.07 3.29 0.00 1.68 3.52 -1.26 -2.00 118.95 121.10 1qpf s ARG 18 Ca 0.45 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 1qpf s ARG 18 Cb -0.11 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 1qpf s ARG 18 CO 0.25 -1.92 0.00 0.41 -0.81 0.00 0.00 175.30 173.23 1qpf n GLY 19 N 5.52 0.39 3.97 8.12 0.00 0.09 -4.97 105.19 118.31 1qpf n GLY 19 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1qpf n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qpf s GLN 20 N 0.00 3.43 -0.20 1.61 -0.21 -0.85 -4.85 119.66 118.60 1qpf s GLN 20 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 55.36 54.51 1qpf s GLN 20 Cb 0.00 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 1qpf s GLN 20 CO 0.00 0.39 0.35 0.99 -2.12 0.00 0.00 175.29 174.90 1qpf s THR 21 N -2.02 5.24 -0.20 -0.19 2.01 -0.97 -1.10 115.64 118.40 1qpf s THR 21 Ca 0.35 0.61 -0.10 0.00 0.31 0.00 0.00 61.69 62.86 1qpf s THR 21 Cb -0.09 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1qpf s THR 21 CO 0.30 0.29 0.14 0.00 -0.69 0.00 0.00 174.62 174.67 1qpf s VAL 23 N 0.45 4.65 0.31 0.00 1.01 -0.84 -2.76 120.40 123.22 1qpf s VAL 23 Ca 0.08 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1qpf s VAL 23 Cb -0.11 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1qpf s VAL 23 CO -0.01 0.17 0.05 0.68 0.00 0.00 0.00 175.10 176.00 1qpf s VAL 24 N 1.64 1.12 -0.21 2.92 -7.23 0.03 -0.85 120.40 117.82 1qpf s VAL 24 Ca 0.06 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1qpf s VAL 24 Cb -0.16 -2.73 0.06 0.00 0.56 0.00 0.00 36.38 34.11 1qpf s VAL 24 CO 0.06 -0.04 0.01 -1.00 -0.31 0.00 0.00 175.10 173.83 1qpf s HIS 25 N -3.35 1.43 0.37 2.82 3.76 -0.70 -1.28 115.29 118.34 1qpf s HIS 25 Ca 0.36 -1.15 0.08 0.00 -0.15 0.00 0.00 55.06 54.20 1qpf s HIS 25 Cb 0.08 -1.21 -0.07 0.00 1.11 0.00 0.00 32.58 32.49 1qpf s HIS 25 CO 0.15 -0.67 -0.05 1.52 -0.85 0.00 0.00 174.74 174.84 1qpf s TYR 26 N 1.72 2.42 -0.17 1.40 1.13 -1.26 -1.40 117.35 121.19 1qpf s TYR 26 Ca -0.02 -0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 55.02 1qpf s TYR 26 Cb -0.18 -1.52 0.07 0.00 -1.10 0.00 0.00 41.96 39.24 1qpf s TYR 26 CO -0.08 0.51 0.16 0.99 -2.51 0.00 0.00 175.55 174.62 1qpf s THR 27 N -2.68 -0.23 -0.15 -3.49 2.01 -0.28 -1.35 115.64 109.47 1qpf s THR 27 Ca 0.33 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 1qpf s THR 27 Cb 0.06 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1qpf s THR 27 CO 0.17 -0.17 0.70 -0.83 -0.69 0.00 0.00 174.62 173.79 1qpf s GLY 28 N 2.25 2.26 0.18 4.40 0.00 0.52 -1.49 107.32 115.44 1qpf s GLY 28 Ca 0.05 -0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.78 1qpf s GLY 28 CO -0.10 1.35 -0.13 1.06 0.00 0.00 0.00 173.10 175.27 1qpf s MET 29 N 1.57 1.23 0.32 2.90 -1.94 0.61 -0.95 119.30 123.06 1qpf s MET 29 Ca 0.34 -1.52 0.06 0.00 -1.71 0.00 0.00 55.69 52.85 1qpf s MET 29 Cb -0.17 -0.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.69 1qpf s MET 29 CO 0.13 0.16 0.47 -0.51 -0.01 0.00 0.00 175.02 175.25 1qpf s LEU 30 N -3.21 4.02 0.47 -0.03 1.43 0.65 -1.09 118.68 120.92 1qpf s LEU 30 Ca 0.20 -0.08 0.36 0.00 -1.03 0.00 0.00 54.13 53.58 1qpf s LEU 30 Cb -0.00 -2.82 1.54 0.00 0.03 0.00 0.00 46.19 44.94 1qpf s LEU 30 CO 0.05 -0.38 1.60 -0.08 0.23 0.00 0.00 176.35 177.77 1qpf h GLU 31 N 0.91 0.03 -1.02 1.70 4.81 -1.86 0.12 114.58 119.26 1qpf h GLU 31 Ca -0.47 -0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.26 1qpf h GLU 31 Cb 1.25 -0.01 -0.28 0.00 0.63 0.00 0.00 28.75 30.35 1qpf h GLU 31 CO 0.55 0.02 0.64 -0.40 -0.73 0.00 0.00 179.01 179.08 1qpf n ASP 32 N -4.51 4.43 0.00 1.04 5.75 -1.26 -4.92 116.55 117.08 1qpf n ASP 32 Ca 0.40 -3.50 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1qpf n ASP 32 Cb 1.63 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 1qpf n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qpf n GLY 33 N -0.93 2.29 3.67 6.12 0.00 0.41 -4.96 105.19 111.79 1qpf n GLY 33 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 1qpf n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpf s LYS 34 N 0.00 4.14 0.09 1.61 1.02 -1.26 -4.64 119.74 120.71 1qpf s LYS 34 Ca 0.00 2.62 -0.26 0.00 0.02 0.00 0.00 55.97 58.35 1qpf s LYS 34 Cb 0.00 -4.01 -0.06 0.00 -0.52 0.00 0.00 37.83 33.24 1qpf s LYS 34 CO 0.00 -0.93 0.80 0.21 -0.92 0.00 0.00 175.35 174.52 1qpf s LYS 35 N 3.99 4.56 -0.00 1.68 2.20 -1.26 -0.25 119.74 130.66 1qpf s LYS 35 Ca 0.87 1.16 0.06 0.00 -0.36 0.00 0.00 55.97 57.70 1qpf s LYS 35 Cb -0.44 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 1qpf s LYS 35 CO 0.40 0.36 0.26 1.97 -0.36 0.00 0.00 175.35 177.98 1qpf n PHE 36 N 2.44 0.00 -3.58 4.03 1.16 -0.12 -4.96 117.46 116.43 1qpf n PHE 36 Ca -0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.49 1qpf n PHE 36 Cb 0.50 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 1qpf n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1qpf s ASP 37 N -1.69 -0.25 -0.29 5.98 2.15 -1.20 -5.01 116.67 116.37 1qpf s ASP 37 Ca 0.02 0.13 -0.14 0.00 0.43 0.00 0.00 52.55 52.99 1qpf s ASP 37 Cb 0.05 0.23 0.10 0.00 -0.30 0.00 0.00 42.92 43.00 1qpf s ASP 37 CO 0.26 -0.32 0.69 -0.55 -0.17 0.00 0.00 175.17 175.08 1qpf s SER 38 N -1.74 -1.00 0.39 -0.34 0.15 -1.26 -0.35 113.70 109.54 1qpf s SER 38 Ca 0.05 1.50 0.20 0.00 0.70 0.00 0.00 55.95 58.40 1qpf s SER 38 Cb -0.01 1.73 0.71 0.00 -1.71 0.00 0.00 66.02 66.74 1qpf s SER 38 CO -0.04 -0.23 1.74 0.77 1.20 0.00 0.00 173.24 176.69 1qpf h SER 39 N 7.35 0.00 -0.18 5.45 4.64 -1.50 -3.14 113.55 126.16 1qpf h SER 39 Ca -0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1qpf h SER 39 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1qpf h SER 39 CO 0.14 0.34 0.09 0.03 -0.87 0.00 0.00 176.83 176.55 1qpf h ARG 40 N 0.00 0.27 -0.70 4.77 3.08 -1.84 0.67 114.38 120.62 1qpf h ARG 40 Ca -0.00 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.14 1qpf h ARG 40 Cb 0.88 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.79 1qpf h ARG 40 CO 0.04 0.31 0.23 -0.44 -1.07 0.00 0.00 179.97 179.04 1qpf h ASP 41 N 0.16 0.17 -0.19 7.04 3.32 -1.89 0.18 116.42 125.21 1qpf h ASP 41 Ca 0.06 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1qpf h ASP 41 Cb 0.13 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1qpf h ASP 41 CO -0.01 0.06 0.00 -2.11 -1.72 0.00 0.00 179.24 175.47 1qpf n ARG 42 N -5.05 1.84 -4.19 3.56 1.85 -1.14 -4.95 116.66 108.57 1qpf n ARG 42 Ca 0.12 -1.26 -0.33 0.00 -1.00 0.00 0.00 57.85 55.38 1qpf n ARG 42 Cb 0.38 -1.41 -0.04 0.00 -1.05 0.00 0.00 32.46 30.35 1qpf n ARG 42 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1qpf n ASN 43 N 0.49 -1.98 -3.94 2.89 4.05 0.63 -4.95 115.26 112.44 1qpf n ASN 43 Ca 0.17 -1.06 -0.31 0.00 0.45 0.00 0.00 54.58 53.83 1qpf n ASN 43 Cb 0.37 -2.63 -0.15 0.00 1.23 0.00 0.00 39.78 38.60 1qpf n ASN 43 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1qpf s LYS 44 N -6.91 1.58 0.28 1.20 -0.14 -0.66 -5.02 119.74 110.07 1qpf s LYS 44 Ca 0.48 -1.16 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 1qpf s LYS 44 Cb -0.27 -2.65 -0.11 0.00 -1.68 0.00 0.00 37.83 33.12 1qpf s LYS 44 CO 0.93 -0.68 1.55 -2.14 -0.76 0.00 0.00 175.35 174.25 1qpf s PRO 45 N 1.31 4.17 0.21 -1.68 0.02 -1.26 -4.71 135.00 133.07 1qpf s PRO 45 Ca -0.02 2.49 -0.16 0.00 0.02 0.00 0.00 61.00 63.33 1qpf s PRO 45 Cb -0.19 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 1qpf s PRO 45 CO -0.08 -0.57 0.65 0.12 -0.33 0.00 0.00 177.00 176.79 1qpf s PHE 46 N 0.03 3.57 -0.02 6.54 5.36 -0.40 -4.88 117.98 128.18 1qpf s PHE 46 Ca 0.62 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.81 1qpf s PHE 46 Cb -0.46 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 39.74 1qpf s PHE 46 CO 0.46 0.32 -0.05 0.15 -1.46 0.00 0.00 175.22 174.64 1qpf s LYS 47 N -2.22 0.57 0.01 10.12 1.02 -1.26 -0.79 119.74 127.19 1qpf s LYS 47 Ca 0.44 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 1qpf s LYS 47 Cb -0.14 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1qpf s LYS 47 CO 0.20 0.04 0.25 -0.59 -0.92 0.00 0.00 175.35 174.32 1qpf s PHE 48 N 0.30 -0.07 -0.29 3.18 -0.71 -1.11 -4.98 117.98 114.29 1qpf s PHE 48 Ca -0.03 0.04 -0.17 0.00 -1.04 0.00 0.00 56.93 55.73 1qpf s PHE 48 Cb -0.07 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1qpf s PHE 48 CO -0.00 -0.38 0.46 1.41 -1.34 0.00 0.00 175.22 175.36 1qpf s MET 49 N -1.69 3.93 0.05 1.99 1.75 -1.26 -1.23 119.30 122.84 1qpf s MET 49 Ca -0.12 0.08 -0.31 0.00 -1.25 0.00 0.00 55.69 54.10 1qpf s MET 49 Cb -0.05 -3.69 -0.07 0.00 2.84 0.00 0.00 34.83 33.86 1qpf s MET 49 CO 0.01 -0.39 1.57 -1.17 -0.65 0.00 0.00 175.02 174.39 1qpf s LEU 50 N 2.23 4.35 0.00 4.11 2.96 -0.26 -3.20 118.68 128.87 1qpf s LEU 50 Ca 0.18 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1qpf s LEU 50 Cb -0.16 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1qpf s LEU 50 CO 0.10 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 1qpf n GLY 51 N 3.88 3.16 3.70 7.98 0.00 -1.26 -0.73 105.19 121.92 1qpf n GLY 51 Ca 0.15 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1qpf n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qpf s LYS 52 N 0.00 4.29 -0.87 1.61 2.47 -1.19 -4.86 119.74 121.18 1qpf s LYS 52 Ca 0.00 2.07 -0.15 0.00 -1.56 0.00 0.00 55.97 56.33 1qpf s LYS 52 Cb 0.00 -3.44 -0.10 0.00 -1.46 0.00 0.00 37.83 32.82 1qpf s LYS 52 CO 0.00 -0.54 2.03 1.04 0.16 0.00 0.00 175.35 178.03 1qpf n GLN 53 N 4.81 1.83 -0.09 4.03 1.13 -1.26 -4.40 117.38 123.43 1qpf n GLN 53 Ca 0.13 -1.73 -0.18 0.00 -1.94 0.00 0.00 57.00 53.28 1qpf n GLN 53 Cb 0.43 -2.75 -0.10 0.00 0.11 0.00 0.00 30.24 27.92 1qpf n GLN 53 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1qpf h GLU 54 N 7.13 0.00 -7.11 -1.09 5.08 -1.89 -3.48 114.58 113.22 1qpf h GLU 54 Ca 0.46 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 58.37 1qpf h GLU 54 Cb 0.46 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.79 1qpf h GLU 54 CO 1.75 0.85 0.11 0.14 -1.00 0.00 0.00 179.01 180.86 1qpf s VAL 55 N -2.29 2.31 0.55 3.13 -7.23 -1.26 -5.06 120.40 110.54 1qpf s VAL 55 Ca -0.24 -0.52 -0.20 0.00 -1.81 0.00 0.00 61.98 59.21 1qpf s VAL 55 Cb 0.03 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 1qpf s VAL 55 CO 0.55 0.00 1.21 0.27 -0.31 0.00 0.00 175.10 176.82 1qpf s ILE 56 N -3.10 2.72 0.30 -0.62 -4.36 -1.26 -4.83 121.20 110.06 1qpf s ILE 56 Ca 0.63 0.49 0.07 0.00 -0.26 0.00 0.00 60.65 61.57 1qpf s ILE 56 Cb -0.08 -3.22 0.30 0.00 1.25 0.00 0.00 42.46 40.71 1qpf s ILE 56 CO 0.43 -0.06 1.74 -0.09 0.24 0.00 0.00 174.94 177.19 1qpf h ARG 57 N 1.28 0.57 -1.00 0.37 2.43 -1.82 -0.98 114.38 115.23 1qpf h ARG 57 Ca -0.50 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.72 1qpf h ARG 57 Cb 1.28 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 1qpf h ARG 57 CO 0.57 0.38 0.64 0.78 -1.51 0.00 0.00 179.97 180.83 1qpf h GLY 58 N 0.59 1.54 1.08 2.80 0.00 -1.63 -1.66 103.07 105.79 1qpf h GLY 58 Ca 0.60 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 1qpf h GLY 58 CO -0.46 0.28 -0.42 1.49 0.00 0.00 0.00 176.54 177.43 1qpf h TRP 59 N 1.11 1.02 -0.05 5.60 4.06 -1.47 0.36 115.95 126.59 1qpf h TRP 59 Ca 0.45 -0.34 0.03 0.00 2.06 0.00 0.00 58.89 61.09 1qpf h TRP 59 Cb 0.27 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.19 1qpf h TRP 59 CO -0.00 1.14 -0.17 0.93 -3.56 0.00 0.00 178.44 176.78 1qpf h GLU 60 N 0.61 -0.25 0.01 0.49 4.39 -1.08 -0.88 114.58 117.86 1qpf h GLU 60 Ca 0.03 0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.54 1qpf h GLU 60 Cb 1.02 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1qpf h GLU 60 CO 0.10 -0.17 -0.92 0.93 -1.16 0.00 0.00 179.01 177.79 1qpf h GLU 61 N -0.26 0.28 0.18 2.33 5.08 -1.34 -3.09 114.58 117.75 1qpf h GLU 61 Ca 0.07 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1qpf h GLU 61 Cb 0.36 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1qpf h GLU 61 CO -0.20 1.02 -0.09 0.78 -1.00 0.00 0.00 179.01 179.53 1qpf h GLY 62 N 1.62 -0.25 1.84 -3.84 0.00 -0.11 -3.29 103.07 99.03 1qpf h GLY 62 Ca -0.06 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1qpf h GLY 62 CO 0.15 -0.09 -0.27 -2.08 0.00 0.00 0.00 176.54 174.24 1qpf h VAL 63 N -0.75 1.24 -0.50 4.60 2.07 -1.32 -2.67 116.25 118.91 1qpf h VAL 63 Ca -0.02 -1.12 0.14 0.00 0.82 0.00 0.00 66.70 66.52 1qpf h VAL 63 Cb 0.51 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1qpf h VAL 63 CO 0.04 0.34 0.39 0.00 0.02 0.00 0.00 177.57 178.35 1qpf h ALA 64 N 1.56 2.40 -0.85 1.67 0.00 -1.60 -0.77 119.26 121.66 1qpf h ALA 64 Ca 0.03 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.48 1qpf h ALA 64 Cb 0.57 0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.14 1qpf h ALA 64 CO 0.04 -0.64 0.48 0.00 0.00 0.00 0.00 179.25 179.13 1qpf n GLN 65 N -4.22 2.16 -4.39 0.00 10.64 -1.01 -4.59 117.38 115.97 1qpf n GLN 65 Ca 0.09 -3.06 -0.28 0.00 -1.83 0.00 0.00 57.00 51.92 1qpf n GLN 65 Cb 0.60 -2.10 -0.13 0.00 -0.86 0.00 0.00 30.24 27.76 1qpf n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1qpf s MET 66 N -3.29 1.41 0.15 2.61 -1.94 -0.30 -5.10 119.30 112.84 1qpf s MET 66 Ca 0.54 -1.37 0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1qpf s MET 66 Cb 0.46 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 35.39 1qpf s MET 66 CO 0.08 0.44 -0.06 -1.54 -0.01 0.00 0.00 175.02 173.93 1qpf s SER 67 N -2.15 4.52 -0.06 3.03 1.04 -1.26 -4.31 113.70 114.51 1qpf s SER 67 Ca 0.15 -0.43 -0.36 0.00 0.48 0.00 0.00 55.95 55.78 1qpf s SER 67 Cb -0.10 -0.89 -0.14 0.00 0.10 0.00 0.00 66.02 64.99 1qpf s SER 67 CO 0.06 0.13 1.68 0.52 0.98 0.00 0.00 173.24 176.61 1qpf n VAL 68 N 0.23 0.28 0.00 5.02 0.31 -1.03 -1.06 118.33 122.08 1qpf n VAL 68 Ca -0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1qpf n VAL 68 Cb 0.54 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1qpf n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qpf n GLY 69 N 3.80 2.15 3.76 2.92 0.00 0.21 -1.95 105.19 116.08 1qpf n GLY 69 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1qpf n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qpf s GLN 70 N -0.80 4.62 -0.23 1.61 0.74 -0.22 -4.52 119.66 120.85 1qpf s GLN 70 Ca 0.00 1.82 0.02 0.00 0.05 0.00 0.00 55.36 57.25 1qpf s GLN 70 Cb 0.00 -3.19 0.05 0.00 1.10 0.00 0.00 33.01 30.97 1qpf s GLN 70 CO 0.00 0.17 -0.12 0.50 -0.55 0.00 0.00 175.29 175.29 1qpf s ARG 71 N -1.35 2.27 0.28 1.67 3.52 -0.17 -1.31 118.95 123.87 1qpf s ARG 71 Ca 0.45 -1.11 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1qpf s ARG 71 Cb -0.32 -2.70 -0.06 0.00 -1.56 0.00 0.00 34.95 30.31 1qpf s ARG 71 CO 0.41 -0.47 0.03 0.00 -0.81 0.00 0.00 175.30 174.45 1qpf s ALA 72 N 1.23 2.13 -0.25 6.12 0.00 0.18 0.27 121.76 131.44 1qpf s ALA 72 Ca -0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 51.96 49.96 1qpf s ALA 72 Cb -0.18 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1qpf s ALA 72 CO -0.07 -0.27 -0.04 0.15 0.00 0.00 0.00 175.76 175.52 1qpf s LYS 73 N -3.87 2.98 -0.32 0.00 1.02 0.03 -0.79 119.74 118.77 1qpf s LYS 73 Ca 0.33 -0.89 -0.16 0.00 0.02 0.00 0.00 55.97 55.27 1qpf s LYS 73 Cb 0.07 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1qpf s LYS 73 CO 0.13 -0.37 0.44 -0.51 -0.92 0.00 0.00 175.35 174.12 1qpf s LEU 74 N 1.38 4.29 -0.45 3.17 1.02 0.14 -1.81 118.68 126.42 1qpf s LEU 74 Ca 0.02 0.01 -0.12 0.00 0.02 0.00 0.00 54.13 54.06 1qpf s LEU 74 Cb -0.16 -2.48 0.08 0.00 0.02 0.00 0.00 46.19 43.65 1qpf s LEU 74 CO -0.03 -0.36 0.34 -0.89 0.02 0.00 0.00 176.35 175.42 1qpf s THR 75 N 2.20 4.68 -0.17 5.49 2.01 -0.04 -0.81 115.64 129.00 1qpf s THR 75 Ca 0.16 -1.31 -0.11 0.00 0.31 0.00 0.00 61.69 60.73 1qpf s THR 75 Cb -0.16 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1qpf s THR 75 CO 0.12 -0.58 0.20 -0.63 -0.69 0.00 0.00 174.62 173.03 1qpf s ILE 76 N 1.51 5.37 0.57 1.82 -1.09 0.10 -1.45 121.20 128.03 1qpf s ILE 76 Ca 0.04 0.34 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 1qpf s ILE 76 Cb -0.24 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1qpf s ILE 76 CO 0.04 0.44 1.01 -0.94 -1.23 0.00 0.00 174.94 174.26 1qpf s SER 77 N 0.21 6.40 0.26 3.58 1.04 -0.59 -1.55 113.70 123.06 1qpf s SER 77 Ca 0.12 1.48 -0.06 0.00 0.48 0.00 0.00 55.95 57.97 1qpf s SER 77 Cb -0.12 -2.48 0.50 0.00 0.10 0.00 0.00 66.02 64.02 1qpf s SER 77 CO 0.01 -0.74 1.61 -0.65 0.98 0.00 0.00 173.24 174.45 1qpf h PRO 78 N 0.24 0.06 0.00 4.02 0.11 -1.87 -0.01 132.00 134.55 1qpf h PRO 78 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qpf h PRO 78 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qpf h PRO 78 CO 0.62 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 1qpf n ASP 79 N -5.42 0.06 -0.42 -2.05 5.75 -1.26 -0.84 116.55 112.36 1qpf n ASP 79 Ca 0.16 0.53 0.05 0.00 -0.01 0.00 0.00 54.79 55.51 1qpf n ASP 79 Cb 0.53 -0.54 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1qpf n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qpf n TYR 80 N -1.58 0.06 0.00 2.11 4.02 -0.03 -4.87 117.16 116.87 1qpf n TYR 80 Ca 0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1qpf n TYR 80 Cb 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1qpf n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qpf n ALA 81 N 0.54 0.00 0.97 -0.72 0.00 -0.42 -1.52 120.51 119.37 1qpf n ALA 81 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1qpf n ALA 81 Cb 0.27 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.79 1qpf n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qpf n TYR 82 N 0.00 0.00 -4.86 0.00 4.01 -1.21 -4.81 117.16 110.29 1qpf n TYR 82 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qpf n TYR 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qpf n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qpf n GLY 83 N 1.33 2.32 0.26 2.72 0.00 -0.02 -4.16 105.19 107.64 1qpf n GLY 83 Ca 0.12 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1qpf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpf h ALA 84 N -0.86 -0.59 -1.86 4.61 0.00 -1.94 0.11 119.26 118.73 1qpf h ALA 84 Ca 0.00 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 1qpf h ALA 84 Cb 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qpf h ALA 84 CO 0.00 -0.63 1.47 2.41 0.00 0.00 0.00 179.25 182.50 1qpf n THR 85 N -5.20 0.33 -2.34 0.00 -1.04 -1.26 -3.05 114.28 101.72 1qpf n THR 85 Ca -0.10 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 61.21 1qpf n THR 85 Cb 0.29 -2.42 0.01 0.00 -1.82 0.00 0.00 70.33 66.39 1qpf n THR 85 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1qpf s GLY 86 N 8.04 1.56 -0.58 3.41 0.00 -1.26 -4.77 107.32 113.72 1qpf s GLY 86 Ca 1.02 -0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.39 1qpf s GLY 86 CO 0.38 -0.17 0.40 0.30 0.00 0.00 0.00 173.10 174.01 1qpf s HIS 87 N -2.93 2.73 -0.11 1.90 4.02 0.15 -4.84 115.29 116.21 1qpf s HIS 87 Ca 0.51 -2.96 -0.25 0.00 1.02 0.00 0.00 55.06 53.38 1qpf s HIS 87 Cb -0.11 -2.17 -0.12 0.00 -1.02 0.00 0.00 32.58 29.17 1qpf s HIS 87 CO 0.48 -0.66 0.74 -2.30 1.02 0.00 0.00 174.74 174.02 1qpf n PRO 88 N 2.48 0.00 0.00 8.40 -0.02 -1.26 -2.20 135.00 142.40 1qpf n PRO 88 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1qpf n PRO 88 Cb 0.38 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1qpf n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpf n GLY 89 N 1.43 2.51 1.13 -1.23 0.00 -1.26 -4.82 105.19 102.94 1qpf n GLY 89 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1qpf n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qpf n ILE 90 N 0.00 1.10 -3.89 -0.61 2.08 -0.93 -5.06 119.36 112.04 1qpf n ILE 90 Ca 0.00 0.36 -0.28 0.00 0.56 0.00 0.00 62.75 63.40 1qpf n ILE 90 Cb 0.00 -1.48 -0.17 0.00 -0.75 0.00 0.00 39.64 37.25 1qpf n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1qpf s ILE 91 N -1.97 1.07 0.95 1.39 1.01 -1.11 -5.01 121.20 117.54 1qpf s ILE 91 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1qpf s ILE 91 Cb 0.00 -1.20 0.16 0.00 0.01 0.00 0.00 42.46 41.43 1qpf s ILE 91 CO 0.00 0.20 1.10 -2.16 0.00 0.00 0.00 174.94 174.08 1qpf s PRO 92 N 1.66 0.84 0.41 2.79 0.04 -1.26 0.33 135.00 139.81 1qpf s PRO 92 Ca 0.02 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.38 1qpf s PRO 92 Cb -0.14 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1qpf s PRO 92 CO -0.08 -2.46 1.26 -1.25 0.04 0.00 0.00 177.00 174.50 1qpf s PRO 93 N -5.01 3.95 -1.26 0.56 0.04 -1.26 -3.77 135.00 128.25 1qpf s PRO 93 Ca 0.64 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 1qpf s PRO 93 Cb -0.18 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 1qpf s PRO 93 CO 0.57 -0.47 0.63 0.72 0.04 0.00 0.00 177.00 178.49 1qpf n HIS 94 N 0.04 -1.79 -4.00 0.56 8.25 0.38 -4.93 115.22 113.74 1qpf n HIS 94 Ca 0.04 0.59 -0.34 0.00 -0.26 0.00 0.00 57.72 57.75 1qpf n HIS 94 Cb 0.45 -3.62 -0.06 0.00 1.12 0.00 0.00 29.99 27.88 1qpf n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qpf s ALA 95 N -3.68 3.77 -0.23 -1.41 0.00 -1.25 -4.82 121.76 114.15 1qpf s ALA 95 Ca 0.25 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 1qpf s ALA 95 Cb -0.09 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1qpf s ALA 95 CO 0.87 0.69 0.29 0.99 0.00 0.00 0.00 175.76 178.60 1qpf s THR 96 N -1.20 5.27 0.10 0.00 2.01 -1.26 -3.33 115.64 117.23 1qpf s THR 96 Ca 0.23 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1qpf s THR 96 Cb -0.12 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1qpf s THR 96 CO 0.13 0.29 0.11 -0.76 -0.69 0.00 0.00 174.62 173.70 1qpf s LEU 97 N 1.27 3.86 -0.14 4.42 1.43 -0.60 -2.96 118.68 125.96 1qpf s LEU 97 Ca 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1qpf s LEU 97 Cb -0.14 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1qpf s LEU 97 CO 0.07 0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 175.98 1qpf s VAL 98 N -1.50 1.40 -0.19 -1.59 1.01 -0.25 -0.73 120.40 118.56 1qpf s VAL 98 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1qpf s VAL 98 Cb -0.12 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 1qpf s VAL 98 CO 0.23 0.42 -0.11 -0.36 0.00 0.00 0.00 175.10 175.28 1qpf s PHE 99 N 1.56 2.86 -0.34 5.22 0.08 0.01 -0.28 117.98 127.08 1qpf s PHE 99 Ca 0.05 -1.09 -0.22 0.00 0.12 0.00 0.00 56.93 55.79 1qpf s PHE 99 Cb -0.13 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1qpf s PHE 99 CO -0.10 -0.55 0.74 0.34 -0.10 0.00 0.00 175.22 175.55 1qpf s ASP 100 N 1.15 6.55 -0.04 1.36 -1.08 -0.56 -0.68 116.67 123.37 1qpf s ASP 100 Ca 0.01 0.40 0.04 0.00 -0.52 0.00 0.00 52.55 52.48 1qpf s ASP 100 Cb -0.14 -2.38 -0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1qpf s ASP 100 CO -0.04 -0.65 -0.16 -0.69 0.52 0.00 0.00 175.17 174.15 1qpf s VAL 101 N 2.95 1.32 -0.14 1.11 1.01 0.03 -1.13 120.40 125.54 1qpf s VAL 101 Ca 0.30 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1qpf s VAL 101 Cb -0.14 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1qpf s VAL 101 CO 0.15 0.38 -0.17 -0.70 0.00 0.00 0.00 175.10 174.76 1qpf s GLU 102 N 0.03 2.53 -0.50 2.72 2.12 -0.49 -0.65 118.70 124.46 1qpf s GLU 102 Ca -0.03 -0.66 -0.25 0.00 0.36 0.00 0.00 54.97 54.39 1qpf s GLU 102 Cb -0.11 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.12 1qpf s GLU 102 CO 0.02 -0.15 0.97 -1.17 -0.54 0.00 0.00 175.26 174.38 1qpf s LEU 103 N 1.21 3.96 -0.11 2.70 0.20 -0.42 -1.73 118.68 124.49 1qpf s LEU 103 Ca 0.00 -0.00 -0.21 0.00 0.69 0.00 0.00 54.13 54.61 1qpf s LEU 103 Cb -0.14 -3.11 -0.18 0.00 -0.43 0.00 0.00 46.19 42.33 1qpf s LEU 103 CO -0.07 -1.15 0.63 -0.07 -0.29 0.00 0.00 176.35 175.39 1qpf h LEU 104 N 10.84 -0.03 -7.98 -0.68 3.38 -1.33 0.62 115.31 120.14 1qpf h LEU 104 Ca -0.25 -0.65 0.12 0.00 0.09 0.00 0.00 57.88 57.19 1qpf h LEU 104 Cb 1.07 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1qpf h LEU 104 CO 1.06 0.77 0.52 -1.59 0.09 0.00 0.00 178.44 179.30 1qpf s LYS 105 N -2.33 1.53 -0.00 1.13 -2.85 -1.21 -4.54 119.74 111.47 1qpf s LYS 105 Ca -0.14 -0.99 0.06 0.00 -1.00 0.00 0.00 55.97 53.91 1qpf s LYS 105 Cb -0.02 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.16 1qpf s LYS 105 CO 0.50 -0.72 -0.20 -0.51 0.10 0.00 0.00 175.35 174.52 1qpf s LEU 106 N -3.37 2.07 0.00 2.77 1.43 -1.26 -1.99 118.68 118.33 1qpf s LEU 106 Ca 0.21 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1qpf s LEU 106 Cb -0.03 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1qpf s LEU 106 CO 0.07 0.22 0.14 -0.62 0.23 0.00 0.00 176.35 176.39