#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpb s GLU 3 N 0.00 1.72 -0.05 4.33 2.02 -1.26 -2.40 118.70 123.05 1qpb s GLU 3 Ca 0.00 -1.93 -0.11 0.00 0.02 0.00 0.00 54.97 52.95 1qpb s GLU 3 Cb 0.00 -1.25 0.02 0.00 0.10 0.00 0.00 34.13 33.00 1qpb s GLU 3 CO 0.00 -0.05 0.26 -1.50 0.02 0.00 0.00 175.26 173.99 1qpb s ILE 4 N -2.98 0.03 0.19 -1.63 2.07 -0.29 -4.66 121.20 113.92 1qpb s ILE 4 Ca 0.34 -0.29 -0.30 0.00 -1.41 0.00 0.00 60.65 58.99 1qpb s ILE 4 Cb 0.07 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 42.12 1qpb s ILE 4 CO 0.15 -0.16 1.02 0.42 -1.91 0.00 0.00 174.94 174.46 1qpb s THR 5 N -0.62 4.06 0.32 4.00 -4.23 -1.26 -0.52 115.64 117.39 1qpb s THR 5 Ca -0.07 1.86 0.09 0.00 -1.18 0.00 0.00 61.69 62.39 1qpb s THR 5 Cb -0.04 -4.19 0.35 0.00 1.34 0.00 0.00 72.50 69.96 1qpb s THR 5 CO 0.02 0.36 1.62 0.25 -0.54 0.00 0.00 174.62 176.32 1qpb h LEU 6 N 4.82 0.07 -0.45 4.79 5.85 -1.21 0.78 115.31 129.96 1qpb h LEU 6 Ca -0.44 0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1qpb h LEU 6 Cb 1.21 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.48 1qpb h LEU 6 CO 0.70 -0.27 0.13 1.23 -0.34 0.00 0.00 178.44 179.90 1qpb h GLY 7 N 0.13 0.58 1.80 3.75 0.00 -1.24 -1.74 103.07 106.34 1qpb h GLY 7 Ca 0.67 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.80 1qpb h GLY 7 CO -0.74 -0.01 -0.57 1.70 0.00 0.00 0.00 176.54 176.93 1qpb h LYS 8 N 0.29 0.21 -0.66 4.80 3.64 0.21 -3.10 116.57 121.96 1qpb h LYS 8 Ca 0.22 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1qpb h LYS 8 Cb 0.24 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1qpb h LYS 8 CO -0.25 0.72 0.26 -0.92 -2.27 0.00 0.00 179.45 177.00 1qpb h TYR 9 N 0.16 0.98 0.52 1.91 5.03 -0.33 -1.07 116.97 124.16 1qpb h TYR 9 Ca -0.00 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 1qpb h TYR 9 Cb 1.05 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1qpb h TYR 9 CO 0.02 0.75 -0.29 1.25 -1.32 0.00 0.00 178.16 178.57 1qpb h LEU 10 N 0.95 -0.71 -1.47 2.82 5.85 -1.26 -0.94 115.31 120.55 1qpb h LEU 10 Ca 0.22 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.18 1qpb h LEU 10 Cb 0.18 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1qpb h LEU 10 CO -0.02 -0.46 0.60 -0.26 -0.34 0.00 0.00 178.44 177.96 1qpb h PHE 11 N -0.75 0.58 0.13 1.25 0.04 -1.60 0.20 116.94 116.80 1qpb h PHE 11 Ca -0.07 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1qpb h PHE 11 Cb 0.59 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1qpb h PHE 11 CO 0.03 0.15 -0.06 1.49 -0.60 0.00 0.00 178.31 179.31 1qpb h GLU 12 N 0.43 -0.17 -0.77 1.51 4.57 -0.92 0.76 114.58 119.99 1qpb h GLU 12 Ca 0.48 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.73 1qpb h GLU 12 Cb 1.17 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.75 1qpb h GLU 12 CO -0.19 -0.04 0.47 -0.09 -1.18 0.00 0.00 179.01 177.98 1qpb h ARG 13 N -0.27 0.85 -0.10 1.92 9.65 0.38 -0.90 114.38 125.92 1qpb h ARG 13 Ca -0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1qpb h ARG 13 Cb 0.21 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1qpb h ARG 13 CO 0.03 0.56 0.06 -0.07 2.80 0.00 0.00 179.97 183.35 1qpb h LEU 14 N 0.88 0.10 -1.01 3.80 4.07 -0.60 -1.62 115.31 120.93 1qpb h LEU 14 Ca 0.33 -0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.42 1qpb h LEU 14 Cb 0.13 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 41.76 1qpb h LEU 14 CO -0.16 0.07 0.63 0.50 -1.08 0.00 0.00 178.44 178.41 1qpb h LYS 15 N 0.12 0.94 -0.75 1.13 1.63 -0.23 0.84 116.57 120.25 1qpb h LYS 15 Ca 0.04 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1qpb h LYS 15 Cb -0.01 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 1qpb h LYS 15 CO -0.01 0.62 0.41 1.96 -3.45 0.00 0.00 179.45 178.97 1qpb h GLN 16 N 0.96 1.03 -0.40 1.90 4.20 -0.28 -1.70 115.11 120.83 1qpb h GLN 16 Ca 0.51 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1qpb h GLN 16 Cb 0.55 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1qpb h GLN 16 CO -0.28 0.76 0.00 1.33 -0.67 0.00 0.00 178.83 179.97 1qpb n VAL 17 N -4.36 0.55 -1.76 -0.54 0.24 0.18 -4.93 118.33 107.72 1qpb n VAL 17 Ca 0.08 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 1qpb n VAL 17 Cb 0.10 0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.65 1qpb n VAL 17 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1qpb n ASN 18 N 0.55 -3.60 -4.38 -1.34 2.85 -0.54 -4.94 115.26 103.86 1qpb n ASN 18 Ca 0.12 0.10 -0.46 0.00 -0.11 0.00 0.00 54.58 54.24 1qpb n ASN 18 Cb 0.34 -2.44 -0.02 0.00 1.24 0.00 0.00 39.78 38.90 1qpb n ASN 18 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1qpb s VAL 19 N -2.41 5.33 -2.02 3.44 1.01 -0.72 -4.85 120.40 120.19 1qpb s VAL 19 Ca 0.00 -2.31 0.29 0.00 0.00 0.00 0.00 61.98 59.96 1qpb s VAL 19 Cb 0.00 -4.62 0.56 0.00 0.00 0.00 0.00 36.38 32.32 1qpb s VAL 19 CO 0.00 -1.25 1.86 0.59 0.00 0.00 0.00 175.10 176.31 1qpb n ASN 20 N 4.78 0.79 -3.98 3.32 3.02 -1.26 -4.23 115.26 117.69 1qpb n ASN 20 Ca 0.20 -1.02 -0.21 0.00 -0.03 0.00 0.00 54.58 53.52 1qpb n ASN 20 Cb 0.46 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.47 1qpb n ASN 20 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qpb s THR 21 N -2.22 0.82 -0.02 3.41 2.01 -1.26 -2.33 115.64 116.06 1qpb s THR 21 Ca 0.35 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1qpb s THR 21 Cb 0.21 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1qpb s THR 21 CO 0.41 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.88 1qpb s VAL 22 N 0.52 3.83 0.25 3.82 1.01 -0.93 -4.59 120.40 124.30 1qpb s VAL 22 Ca -0.09 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1qpb s VAL 22 Cb -0.12 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1qpb s VAL 22 CO 0.01 0.44 0.03 -0.36 0.00 0.00 0.00 175.10 175.22 1qpb s PHE 23 N -0.98 2.80 -3.37 5.22 0.08 -0.31 -1.63 117.98 119.79 1qpb s PHE 23 Ca 0.17 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1qpb s PHE 23 Cb -0.11 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 1qpb s PHE 23 CO 0.07 0.58 0.00 0.41 -0.10 0.00 0.00 175.22 176.18 1qpb n GLY 24 N -0.80 0.80 3.11 4.36 0.00 -1.26 0.36 105.19 111.76 1qpb n GLY 24 Ca -0.07 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 1qpb n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpb s LEU 25 N 0.00 1.19 0.90 0.99 1.02 -1.20 -2.06 118.68 119.53 1qpb s LEU 25 Ca 0.00 0.33 -0.11 0.00 0.02 0.00 0.00 54.13 54.37 1qpb s LEU 25 Cb 0.00 0.78 0.14 0.00 0.02 0.00 0.00 46.19 47.12 1qpb s LEU 25 CO 0.00 -0.14 1.11 -2.16 0.02 0.00 0.00 176.35 175.18 1qpb s PRO 26 N -0.19 1.15 0.00 1.29 0.04 -1.26 -4.49 135.00 131.54 1qpb s PRO 26 Ca -0.03 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1qpb s PRO 26 Cb -0.03 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1qpb s PRO 26 CO 0.01 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1qpb n GLY 27 N -0.26 -0.56 3.74 0.56 0.00 -1.26 -4.91 105.19 102.51 1qpb n GLY 27 Ca 0.10 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1qpb n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qpb s ASP 28 N -4.00 6.56 0.00 1.61 1.01 -1.26 -3.05 116.67 117.54 1qpb s ASP 28 Ca 0.00 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.02 1qpb s ASP 28 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1qpb s ASP 28 CO 0.00 -0.78 0.00 0.49 0.21 0.00 0.00 175.17 175.09 1qpb n PHE 29 N 2.39 0.00 -0.39 4.23 3.72 -1.26 -4.04 117.46 122.10 1qpb n PHE 29 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1qpb n PHE 29 Cb 0.39 -1.58 0.00 0.00 -0.94 0.00 0.00 39.48 37.35 1qpb n PHE 29 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qpb n ASN 30 N -0.60 0.95 -0.06 4.37 2.04 -1.17 -4.27 115.26 116.51 1qpb n ASN 30 Ca 0.00 -1.34 -0.13 0.00 -0.44 0.00 0.00 54.58 52.68 1qpb n ASN 30 Cb 0.30 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.48 1qpb n ASN 30 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1qpb h LEU 31 N 0.00 0.36 -0.48 -4.53 4.07 -1.84 -1.98 115.31 110.90 1qpb h LEU 31 Ca 0.00 -0.44 -0.11 0.00 0.08 0.00 0.00 57.88 57.41 1qpb h LEU 31 Cb 0.47 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1qpb h LEU 31 CO 0.00 0.72 -0.13 -1.28 -1.08 0.00 0.00 178.44 176.67 1qpb h SER 32 N 0.00 0.94 -0.90 -0.43 0.87 -1.92 -2.76 113.55 109.35 1qpb h SER 32 Ca 0.03 -0.37 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1qpb h SER 32 Cb 0.60 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.24 1qpb h SER 32 CO 0.03 1.09 0.56 0.25 -0.53 0.00 0.00 176.83 178.23 1qpb h LEU 33 N 0.78 0.87 -1.86 2.23 6.46 -1.86 -1.76 115.31 120.17 1qpb h LEU 33 Ca 0.12 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1qpb h LEU 33 Cb 0.69 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1qpb h LEU 33 CO 0.05 0.54 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.22 1qpb h LEU 34 N 1.00 0.00 -0.93 2.25 4.07 -1.08 -2.49 115.31 118.12 1qpb h LEU 34 Ca 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.34 1qpb h LEU 34 Cb 0.22 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1qpb h LEU 34 CO -0.19 0.12 0.41 0.44 -1.08 0.00 0.00 178.44 178.14 1qpb h ASP 35 N 0.00 1.06 -0.39 -0.43 3.32 -1.12 -3.18 116.42 115.69 1qpb h ASP 35 Ca -0.00 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.01 1qpb h ASP 35 Cb 0.36 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 1qpb h ASP 35 CO 0.02 0.88 -0.14 0.11 -1.72 0.00 0.00 179.24 178.39 1qpb h LYS 36 N 1.16 -0.05 -0.85 3.56 6.56 -1.51 -2.24 116.57 123.20 1qpb h LYS 36 Ca 0.28 0.00 0.19 0.00 -1.06 0.00 0.00 60.65 60.07 1qpb h LYS 36 Cb 0.09 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 31.65 1qpb h LYS 36 CO -0.04 -0.04 0.35 0.97 -2.06 0.00 0.00 179.45 178.63 1qpb h ILE 37 N -0.06 0.53 0.00 1.86 2.10 -1.68 1.39 117.51 121.65 1qpb h ILE 37 Ca 0.19 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.99 1qpb h ILE 37 Cb 0.35 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 1qpb h ILE 37 CO -0.43 0.07 0.00 -1.22 -1.08 0.00 0.00 178.15 175.49 1qpb n TYR 38 N -5.04 0.00 0.08 2.19 4.01 -0.85 -1.22 117.16 116.33 1qpb n TYR 38 Ca 0.19 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.99 1qpb n TYR 38 Cb 0.57 -0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1qpb n TYR 38 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1qpb h GLU 39 N 0.00 0.00 -5.64 -0.72 5.08 0.19 -3.46 114.58 110.02 1qpb h GLU 39 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1qpb h GLU 39 Cb 0.09 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1qpb h GLU 39 CO 0.00 0.17 -0.19 0.08 -1.00 0.00 0.00 179.01 178.07 1qpb s VAL 40 N -3.13 5.22 0.19 3.13 1.01 -0.36 -5.04 120.40 121.42 1qpb s VAL 40 Ca -0.01 0.83 -0.32 0.00 0.00 0.00 0.00 61.98 62.49 1qpb s VAL 40 Cb 0.09 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 1qpb s VAL 40 CO 0.79 0.33 1.75 -1.84 0.00 0.00 0.00 175.10 176.12 1qpb n GLU 41 N 3.75 2.78 -0.94 2.72 0.00 -1.26 -2.47 120.64 125.21 1qpb n GLU 41 Ca -0.08 1.00 0.00 0.00 0.00 0.00 0.00 57.16 58.08 1qpb n GLU 41 Cb 0.52 -2.86 0.00 0.00 0.00 0.00 0.00 31.44 29.10 1qpb n GLU 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qpb n GLY 42 N 4.01 0.78 3.87 -1.84 0.00 -1.26 -5.03 105.19 105.72 1qpb n GLY 42 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1qpb n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qpb s MET 43 N -0.06 3.72 0.07 1.61 -1.94 -1.03 -4.81 119.30 116.85 1qpb s MET 43 Ca 0.00 0.11 -0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1qpb s MET 43 Cb 0.00 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 1qpb s MET 43 CO 0.00 0.58 -0.03 -0.98 -0.01 0.00 0.00 175.02 174.58 1qpb s ARG 44 N -1.88 0.70 -0.31 2.03 1.70 -0.98 -4.84 118.95 115.36 1qpb s ARG 44 Ca 0.32 -1.27 -0.01 0.00 -0.47 0.00 0.00 55.73 54.30 1qpb s ARG 44 Cb -0.14 0.09 0.06 0.00 -0.57 0.00 0.00 34.95 34.39 1qpb s ARG 44 CO 0.18 -0.09 0.01 -0.46 -1.08 0.00 0.00 175.30 173.86 1qpb s TRP 45 N -3.84 3.31 0.27 5.89 -0.11 -1.26 -2.18 118.94 121.02 1qpb s TRP 45 Ca 0.09 -2.00 -0.08 0.00 1.22 0.00 0.00 56.10 55.34 1qpb s TRP 45 Cb 0.07 -2.24 0.45 0.00 -1.50 0.00 0.00 33.47 30.26 1qpb s TRP 45 CO -0.08 -0.83 1.57 0.00 -4.62 0.00 0.00 176.95 172.99 1qpb h ALA 46 N 7.97 0.66 -3.30 5.86 0.00 -1.67 -3.46 119.26 125.31 1qpb h ALA 46 Ca -0.20 0.37 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1qpb h ALA 46 Cb 1.06 0.73 0.03 0.00 0.00 0.00 0.00 17.79 19.61 1qpb h ALA 46 CO 0.54 -0.39 -0.14 0.41 0.00 0.00 0.00 179.25 179.67 1qpb n GLY 47 N -1.61 0.53 3.70 0.00 0.00 -1.26 -5.02 105.19 101.53 1qpb n GLY 47 Ca 0.15 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1qpb n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qpb s ASN 48 N -3.09 2.96 -0.10 1.61 -0.87 -0.87 -4.88 114.94 109.70 1qpb s ASN 48 Ca 0.07 1.29 0.14 0.00 -1.57 0.00 0.00 52.86 52.78 1qpb s ASN 48 Cb -0.01 -1.96 0.43 0.00 -0.02 0.00 0.00 41.25 39.69 1qpb s ASN 48 CO 0.13 -2.93 1.35 0.00 -2.57 0.00 0.00 177.10 173.07 1qpb n ALA 49 N -4.06 2.63 -3.40 0.60 0.00 -1.26 -4.79 120.51 110.23 1qpb n ALA 49 Ca 0.06 -1.79 0.02 0.00 0.00 0.00 0.00 53.44 51.73 1qpb n ALA 49 Cb 0.57 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 1qpb n ALA 49 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qpb s ASN 50 N -1.52 -0.18 0.57 0.00 3.84 -1.26 -5.00 114.94 111.40 1qpb s ASN 50 Ca 0.33 0.26 0.27 0.00 0.21 0.00 0.00 52.86 53.94 1qpb s ASN 50 Cb 0.24 1.16 1.57 0.00 -0.55 0.00 0.00 41.25 43.67 1qpb s ASN 50 CO 0.12 -0.04 2.07 -0.33 -2.79 0.00 0.00 177.10 176.13 1qpb h GLU 51 N 6.42 0.00 0.22 0.43 3.07 -1.91 0.39 114.58 123.20 1qpb h GLU 51 Ca -0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 1qpb h GLU 51 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1qpb h GLU 51 CO 0.13 0.00 -0.11 1.25 -1.40 0.00 0.00 179.01 178.89 1qpb h LEU 52 N 0.00 -0.25 -1.33 1.33 6.46 -1.91 -1.70 115.31 117.90 1qpb h LEU 52 Ca 0.11 0.01 0.25 0.00 -0.12 0.00 0.00 57.88 58.14 1qpb h LEU 52 Cb 0.58 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.48 1qpb h LEU 52 CO -0.00 0.21 0.65 0.78 -0.62 0.00 0.00 178.44 179.46 1qpb h ASN 53 N -1.08 0.48 -0.36 1.25 4.21 -1.79 0.64 115.58 118.93 1qpb h ASN 53 Ca -0.03 0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.49 1qpb h ASN 53 Cb 0.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1qpb h ASN 53 CO 0.05 0.11 -0.07 0.00 -1.29 0.00 0.00 177.43 176.23 1qpb h ALA 54 N 1.63 0.50 -0.54 -0.83 0.00 -0.28 0.17 119.26 119.91 1qpb h ALA 54 Ca 0.58 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1qpb h ALA 54 Cb 1.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1qpb h ALA 54 CO -0.30 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.46 1qpb h ALA 55 N 0.83 1.31 0.13 0.00 0.00 0.11 0.32 119.26 121.95 1qpb h ALA 55 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qpb h ALA 55 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1qpb h ALA 55 CO 0.03 0.50 -0.06 1.88 0.00 0.00 0.00 179.25 181.60 1qpb h TYR 56 N 0.78 -0.16 -0.78 0.00 0.05 -0.35 -2.68 116.97 113.83 1qpb h TYR 56 Ca 0.18 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.08 1qpb h TYR 56 Cb 0.21 0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.92 1qpb h TYR 56 CO 0.01 0.17 0.39 0.00 -1.05 0.00 0.00 178.16 177.68 1qpb h ALA 57 N 0.32 1.12 0.00 3.88 0.00 -0.29 0.17 119.26 124.46 1qpb h ALA 57 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qpb h ALA 57 Cb 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qpb h ALA 57 CO 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.17 1qpb h ALA 58 N 1.50 1.86 -0.02 0.00 0.00 -0.86 0.50 119.26 122.24 1qpb h ALA 58 Ca 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1qpb h ALA 58 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qpb h ALA 58 CO -0.33 0.04 -0.14 0.22 0.00 0.00 0.00 179.25 179.04 1qpb h ASP 59 N 0.00 0.16 -0.61 0.00 1.82 -0.34 -1.14 116.42 116.31 1qpb h ASP 59 Ca -0.00 -0.69 0.04 0.00 -0.39 0.00 0.00 57.03 55.99 1qpb h ASP 59 Cb 0.06 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1qpb h ASP 59 CO 0.00 0.83 0.36 1.23 -1.61 0.00 0.00 179.24 180.05 1qpb h GLY 60 N -0.49 0.88 0.93 -0.78 0.00 -0.86 -0.26 103.07 102.49 1qpb h GLY 60 Ca -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1qpb h GLY 60 CO 0.03 0.21 0.36 -1.82 0.00 0.00 0.00 176.54 175.32 1qpb h TYR 61 N 0.70 0.68 0.13 5.60 5.03 -0.93 -2.31 116.97 125.88 1qpb h TYR 61 Ca 0.25 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.58 1qpb h TYR 61 Cb 0.07 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.12 1qpb h TYR 61 CO -0.06 0.41 -0.06 0.00 -1.32 0.00 0.00 178.16 177.12 1qpb h ALA 62 N 1.23 -0.17 -1.00 1.82 0.00 -0.31 0.33 119.26 121.16 1qpb h ALA 62 Ca 0.22 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.31 1qpb h ALA 62 Cb -0.03 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.71 1qpb h ALA 62 CO -0.08 -0.59 0.60 0.00 0.00 0.00 0.00 179.25 179.19 1qpb h ARG 63 N -0.20 0.62 0.05 0.00 3.08 -0.84 0.35 114.38 117.43 1qpb h ARG 63 Ca -0.02 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.74 1qpb h ARG 63 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1qpb h ARG 63 CO 0.03 0.41 -1.37 0.82 -1.07 0.00 0.00 179.97 178.79 1qpb h ILE 64 N 0.63 0.93 0.00 2.04 1.08 -1.04 -3.40 117.51 117.75 1qpb h ILE 64 Ca 0.62 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 1qpb h ILE 64 Cb 1.12 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1qpb h ILE 64 CO -0.45 0.53 -0.65 0.50 -0.69 0.00 0.00 178.15 177.39 1qpb h LYS 65 N -0.64 0.00 0.00 2.37 1.63 -0.25 -3.49 116.57 116.19 1qpb h LYS 65 Ca -0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1qpb h LYS 65 Cb 1.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1qpb h LYS 65 CO -0.08 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.33 1qpb n GLY 66 N 1.16 3.66 3.73 5.01 0.00 0.12 -5.01 105.19 113.87 1qpb n GLY 66 Ca 0.01 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1qpb n GLY 66 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1qpb s MET 67 N 0.00 1.56 0.21 1.61 0.23 -1.20 -4.69 119.30 117.02 1qpb s MET 67 Ca 0.00 -0.80 0.02 0.00 -1.03 0.00 0.00 55.69 53.88 1qpb s MET 67 Cb 0.00 0.57 -0.01 0.00 -1.53 0.00 0.00 34.83 33.86 1qpb s MET 67 CO 0.00 -0.71 0.23 -1.13 -2.03 0.00 0.00 175.02 171.38 1qpb n SER 68 N -0.43 -0.62 -3.66 -1.18 3.41 -0.88 -4.35 113.62 105.90 1qpb n SER 68 Ca -0.07 -2.26 -0.09 0.00 -0.26 0.00 0.00 58.87 56.19 1qpb n SER 68 Cb 0.61 1.27 -0.09 0.00 -0.26 0.00 0.00 64.21 65.74 1qpb n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpb s ILE 70 N 1.50 1.88 -0.20 0.00 2.07 -0.87 -1.16 121.20 124.41 1qpb s ILE 70 Ca -0.10 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.11 1qpb s ILE 70 Cb -0.06 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 40.98 1qpb s ILE 70 CO -0.16 0.51 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.60 1qpb s ILE 71 N -0.58 2.38 0.48 2.00 1.01 0.16 -0.98 121.20 125.67 1qpb s ILE 71 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1qpb s ILE 71 Cb -0.09 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1qpb s ILE 71 CO -0.01 0.42 0.04 0.42 0.00 0.00 0.00 174.94 175.81 1qpb s THR 72 N 1.30 1.47 0.11 2.92 -4.23 -0.69 -3.26 115.64 113.26 1qpb s THR 72 Ca 0.03 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1qpb s THR 72 Cb -0.14 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1qpb s THR 72 CO -0.10 0.00 0.25 0.28 -0.54 0.00 0.00 174.62 174.51 1qpb s THR 73 N -2.81 5.34 -0.00 3.99 -1.32 -1.26 -2.41 115.64 117.17 1qpb s THR 73 Ca 0.17 -0.56 -0.38 0.00 -1.21 0.00 0.00 61.69 59.71 1qpb s THR 73 Cb 0.04 -3.69 -0.17 0.00 -1.51 0.00 0.00 72.50 67.17 1qpb s THR 73 CO 0.09 0.01 1.42 0.33 -2.21 0.00 0.00 174.62 174.27 1qpb n PHE 74 N -0.17 1.61 0.00 9.09 7.35 -1.17 -1.12 117.46 133.05 1qpb n PHE 74 Ca -0.06 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 1qpb n PHE 74 Cb 0.53 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.00 1qpb n PHE 74 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qpb n GLY 75 N 2.87 1.76 0.23 7.13 0.00 -1.26 -4.13 105.19 111.79 1qpb n GLY 75 Ca 0.20 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.48 1qpb n GLY 75 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qpb h VAL 76 N 0.00 1.18 0.00 1.61 -1.51 -1.83 -2.83 116.25 112.87 1qpb h VAL 76 Ca 0.00 -0.80 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 1qpb h VAL 76 Cb 0.00 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1qpb h VAL 76 CO 0.00 0.24 -0.19 1.23 -1.23 0.00 0.00 177.57 177.62 1qpb h GLY 77 N 0.73 0.00 0.47 5.19 0.00 -1.49 -3.34 103.07 104.63 1qpb h GLY 77 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.46 1qpb h GLY 77 CO 0.03 0.00 0.43 1.05 0.00 0.00 0.00 176.54 178.05 1qpb h GLU 78 N -1.00 0.69 0.00 4.80 4.11 -1.20 -2.09 114.58 119.89 1qpb h GLU 78 Ca -0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1qpb h GLU 78 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1qpb h GLU 78 CO -0.01 0.46 -0.18 -0.07 0.07 0.00 0.00 179.01 179.27 1qpb h LEU 79 N 0.71 0.00 -0.75 3.06 3.38 -1.70 -2.77 115.31 117.23 1qpb h LEU 79 Ca 0.39 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.23 1qpb h LEU 79 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1qpb h LEU 79 CO -0.27 0.18 -0.54 0.28 0.09 0.00 0.00 178.44 178.19 1qpb h SER 80 N 0.00 0.25 0.84 -0.43 0.02 -1.50 -3.16 113.55 109.58 1qpb h SER 80 Ca -0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1qpb h SER 80 Cb 0.39 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1qpb h SER 80 CO 0.02 0.75 -0.19 0.00 -1.14 0.00 0.00 176.83 176.27 1qpb n ALA 81 N -2.47 2.77 -0.23 3.77 0.00 -1.05 -4.14 120.51 119.15 1qpb n ALA 81 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1qpb n ALA 81 Cb 0.57 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.76 1qpb n ALA 81 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1qpb h LEU 82 N 0.00 -0.64 -1.09 0.00 4.07 -1.50 -0.71 115.31 115.43 1qpb h LEU 82 Ca 0.00 0.21 0.06 0.00 0.08 0.00 0.00 57.88 58.23 1qpb h LEU 82 Cb 0.52 0.42 -0.06 0.00 1.08 0.00 0.00 40.66 42.62 1qpb h LEU 82 CO 0.00 -0.23 0.61 -1.13 -1.08 0.00 0.00 178.44 176.62 1qpb h ASN 83 N 0.00 0.97 0.84 -0.43 -0.00 -1.84 0.49 115.58 115.61 1qpb h ASN 83 Ca 0.33 0.01 -0.06 0.00 -0.00 0.00 0.00 56.30 56.57 1qpb h ASN 83 Cb 0.50 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.61 1qpb h ASN 83 CO -0.71 0.62 -0.31 1.23 -0.00 0.00 0.00 177.43 178.27 1qpb h GLY 84 N 1.10 0.00 0.18 1.57 0.00 -1.47 -2.04 103.07 102.41 1qpb h GLY 84 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1qpb h GLY 84 CO -0.15 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.13 1qpb h ILE 85 N 0.00 0.97 -0.85 2.60 1.08 0.18 -2.95 117.51 118.54 1qpb h ILE 85 Ca -0.00 -1.47 0.22 0.00 -0.39 0.00 0.00 64.86 63.21 1qpb h ILE 85 Cb 0.81 1.74 -0.14 0.00 -3.07 0.00 0.00 36.82 36.16 1qpb h ILE 85 CO 0.04 0.29 0.12 0.00 -0.69 0.00 0.00 178.15 177.92 1qpb h ALA 86 N -0.33 1.08 -0.90 1.87 0.00 -0.07 0.28 119.26 121.19 1qpb h ALA 86 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1qpb h ALA 86 Cb 0.56 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1qpb h ALA 86 CO 0.02 -0.46 0.57 0.78 0.00 0.00 0.00 179.25 180.15 1qpb h GLY 87 N 0.14 1.28 2.00 0.00 0.00 -1.42 0.24 103.07 105.31 1qpb h GLY 87 Ca 0.51 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1qpb h GLY 87 CO -0.69 0.49 -0.43 1.76 0.00 0.00 0.00 176.54 177.67 1qpb h SER 88 N 1.23 0.00 -0.12 0.19 0.02 -0.40 -1.20 113.55 113.27 1qpb h SER 88 Ca 0.33 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.09 1qpb h SER 88 Cb -0.09 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1qpb h SER 88 CO -0.07 0.43 -0.66 0.22 -1.14 0.00 0.00 176.83 175.62 1qpb h TYR 89 N 0.00 0.88 -0.36 3.45 3.20 0.15 0.15 116.97 124.44 1qpb h TYR 89 Ca -0.00 -0.40 -0.05 0.00 3.14 0.00 0.00 58.73 61.42 1qpb h TYR 89 Cb 0.93 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1qpb h TYR 89 CO 0.00 1.21 0.03 0.00 -1.64 0.00 0.00 178.16 177.76 1qpb h ALA 90 N 0.50 0.49 -0.64 1.82 0.00 -0.29 -3.21 119.26 117.92 1qpb h ALA 90 Ca -0.05 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1qpb h ALA 90 Cb 1.30 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1qpb h ALA 90 CO 0.14 0.23 0.19 0.39 0.00 0.00 0.00 179.25 180.19 1qpb n GLU 91 N -4.52 3.76 -3.41 0.00 1.02 -0.48 -4.96 120.64 112.05 1qpb n GLU 91 Ca -0.01 -2.81 -0.19 0.00 -0.02 0.00 0.00 57.16 54.13 1qpb n GLU 91 Cb 0.25 -2.15 0.04 0.00 -0.02 0.00 0.00 31.44 29.56 1qpb n GLU 91 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1qpb n HIS 92 N 0.06 -2.33 -5.04 -0.32 8.25 -1.12 -5.02 115.22 109.70 1qpb n HIS 92 Ca 0.34 0.75 -0.32 0.00 -0.26 0.00 0.00 57.72 58.24 1qpb n HIS 92 Cb 1.26 -3.77 -0.16 0.00 1.12 0.00 0.00 29.99 28.44 1qpb n HIS 92 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qpb s VAL 93 N -3.31 2.40 -0.55 1.59 1.01 0.51 -4.74 120.40 117.30 1qpb s VAL 93 Ca 0.35 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1qpb s VAL 93 Cb -0.09 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1qpb s VAL 93 CO 0.80 0.55 1.33 -0.83 0.00 0.00 0.00 175.10 176.94 1qpb s GLY 94 N 0.36 1.01 -0.07 4.51 0.00 -1.24 -3.15 107.32 108.74 1qpb s GLY 94 Ca -0.16 -0.67 -0.00 0.00 0.00 0.00 0.00 44.72 43.89 1qpb s GLY 94 CO 0.07 2.68 -0.03 0.14 0.00 0.00 0.00 173.10 175.96 1qpb s VAL 95 N 5.55 0.58 -0.50 1.40 1.01 -1.26 -2.07 120.40 125.12 1qpb s VAL 95 Ca 0.50 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 1qpb s VAL 95 Cb -0.10 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.67 1qpb s VAL 95 CO 0.26 0.28 0.63 -0.22 0.00 0.00 0.00 175.10 176.05 1qpb s LEU 96 N 1.57 4.87 -0.36 3.92 2.96 -0.70 -1.41 118.68 129.54 1qpb s LEU 96 Ca -0.00 -0.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.88 1qpb s LEU 96 Cb -0.13 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.07 1qpb s LEU 96 CO -0.04 -0.88 0.72 -2.28 -1.32 0.00 0.00 176.35 172.55 1qpb s HIS 97 N 2.69 3.14 -0.21 5.38 5.65 0.09 -2.06 115.29 129.96 1qpb s HIS 97 Ca 0.16 0.48 -0.03 0.00 0.25 0.00 0.00 55.06 55.93 1qpb s HIS 97 Cb -0.18 -3.27 -0.00 0.00 -1.18 0.00 0.00 32.58 27.95 1qpb s HIS 97 CO 0.13 -0.67 -0.08 0.08 -0.65 0.00 0.00 174.74 173.54 1qpb s VAL 98 N 2.91 3.04 -0.06 0.89 1.01 -0.16 -0.26 120.40 127.77 1qpb s VAL 98 Ca 0.28 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1qpb s VAL 98 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1qpb s VAL 98 CO 0.16 0.45 -0.11 0.54 0.00 0.00 0.00 175.10 176.14 1qpb s VAL 99 N 1.43 3.32 -0.42 2.92 0.11 -0.91 -1.70 120.40 125.16 1qpb s VAL 99 Ca 0.06 -0.62 -0.29 0.00 -2.93 0.00 0.00 61.98 58.20 1qpb s VAL 99 Cb -0.14 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 1qpb s VAL 99 CO -0.06 0.59 1.13 -0.83 -3.33 0.00 0.00 175.10 172.60 1qpb s GLY 100 N -0.66 1.38 0.13 6.54 0.00 -1.01 -2.17 107.32 111.52 1qpb s GLY 100 Ca 0.10 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.53 1qpb s GLY 100 CO 0.01 2.38 0.26 0.14 0.00 0.00 0.00 173.10 175.90 1qpb s VAL 101 N 4.22 5.33 0.91 1.40 1.01 0.08 -3.04 120.40 130.30 1qpb s VAL 101 Ca 0.48 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1qpb s VAL 101 Cb -0.09 -3.71 0.12 0.00 0.00 0.00 0.00 36.38 32.70 1qpb s VAL 101 CO 0.26 -0.03 1.01 -0.81 0.00 0.00 0.00 175.10 175.53 1qpb n PRO 102 N -0.32 -0.34 -1.70 2.72 -0.04 -1.26 0.44 135.00 134.50 1qpb n PRO 102 Ca -0.06 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1qpb n PRO 102 Cb 0.53 -2.28 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1qpb n PRO 102 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qpb n SER 103 N -3.52 2.74 -4.56 3.54 3.41 -1.26 -3.98 113.62 110.00 1qpb n SER 103 Ca 0.11 1.18 -0.43 0.00 -0.26 0.00 0.00 58.87 59.47 1qpb n SER 103 Cb 0.52 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.92 1qpb n SER 103 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1qpb s ILE 104 N -1.13 4.67 0.22 -1.33 1.10 -1.26 -4.96 121.20 118.51 1qpb s ILE 104 Ca 0.57 0.57 0.07 0.00 -0.51 0.00 0.00 60.65 61.35 1qpb s ILE 104 Cb -0.54 -4.29 -0.04 0.00 0.15 0.00 0.00 42.46 37.74 1qpb s ILE 104 CO 0.61 -0.63 0.14 -0.94 -2.11 0.00 0.00 174.94 172.00 1qpb s SER 105 N 2.05 5.33 0.52 4.50 1.04 -1.26 -5.03 113.70 120.85 1qpb s SER 105 Ca 0.30 -0.28 0.32 0.00 0.48 0.00 0.00 55.95 56.77 1qpb s SER 105 Cb -0.12 -1.31 1.21 0.00 0.10 0.00 0.00 66.02 65.90 1qpb s SER 105 CO 0.21 0.01 1.92 0.00 0.98 0.00 0.00 173.24 176.36 1qpb h ALA 106 N 1.91 1.00 -4.69 5.32 0.00 -2.05 -3.46 119.26 117.30 1qpb h ALA 106 Ca -0.48 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 53.97 1qpb h ALA 106 Cb 1.23 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1qpb h ALA 106 CO 0.61 0.00 -0.37 1.04 0.00 0.00 0.00 179.25 180.53 1qpb n GLN 107 N -3.05 0.79 -1.85 0.00 6.02 -1.26 -5.11 117.38 112.92 1qpb n GLN 107 Ca 0.01 -2.76 -0.42 0.00 -0.01 0.00 0.00 57.00 53.82 1qpb n GLN 107 Cb 0.33 1.24 -0.03 0.00 1.02 0.00 0.00 30.24 32.80 1qpb n GLN 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qpb s ALA 108 N -2.80 3.81 -1.46 -1.58 0.00 -1.26 -4.85 121.76 113.62 1qpb s ALA 108 Ca 0.11 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 1qpb s ALA 108 Cb 0.01 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 1qpb s ALA 108 CO 0.08 -0.92 2.65 1.17 0.00 0.00 0.00 175.76 178.74 1qpb n LYS 109 N 4.38 3.21 -0.24 0.00 3.00 -1.26 -4.69 118.16 122.56 1qpb n LYS 109 Ca 0.15 -2.18 0.22 0.00 -0.00 0.00 0.00 58.31 56.50 1qpb n LYS 109 Cb 0.38 -2.87 0.56 0.00 0.00 0.00 0.00 35.03 33.10 1qpb n LYS 109 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1qpb h GLN 110 N 5.52 0.31 -0.50 1.64 5.75 -2.00 -2.65 115.11 123.18 1qpb h GLN 110 Ca 0.74 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.22 1qpb h GLN 110 Cb 0.36 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1qpb h GLN 110 CO 1.77 0.20 0.00 1.28 -2.65 0.00 0.00 178.83 179.44 1qpb n LEU 111 N -4.47 2.67 -4.61 -2.39 4.77 -1.26 -4.89 117.00 106.82 1qpb n LEU 111 Ca 0.20 -1.34 -0.41 0.00 -0.03 0.00 0.00 56.01 54.43 1qpb n LEU 111 Cb 0.78 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1qpb n LEU 111 CO 0.32 0.66 0.45 -0.22 -1.33 0.00 0.00 177.39 177.27 1qpb s LEU 112 N -1.01 4.11 0.00 2.23 2.96 -1.00 -4.84 118.68 121.14 1qpb s LEU 112 Ca 0.33 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1qpb s LEU 112 Cb 0.17 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.96 1qpb s LEU 112 CO 0.23 -0.50 0.00 -0.11 -1.32 0.00 0.00 176.35 174.65 1qpb n LEU 113 N 5.94 0.15 -4.66 -0.68 0.00 -1.26 -4.93 117.00 111.56 1qpb n LEU 113 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 56.01 55.57 1qpb n LEU 113 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.88 1qpb n LEU 113 CO 0.46 -0.27 0.97 1.57 0.00 0.00 0.00 177.39 180.12 1qpb n HIS 114 N -2.46 2.07 -2.60 1.96 -0.00 -1.26 -1.64 115.22 111.29 1qpb n HIS 114 Ca 0.00 0.47 -0.14 0.00 0.46 0.00 0.00 57.72 58.51 1qpb n HIS 114 Cb 0.13 -2.43 0.01 0.00 -0.12 0.00 0.00 29.99 27.58 1qpb n HIS 114 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1qpb n HIS 115 N 1.69 -1.08 -4.27 1.57 8.25 -1.26 -5.03 115.22 115.09 1qpb n HIS 115 Ca 0.11 0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.66 1qpb n HIS 115 Cb 0.31 -3.16 -0.10 0.00 1.12 0.00 0.00 29.99 28.16 1qpb n HIS 115 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1qpb s THR 116 N -2.86 1.05 -1.24 1.59 -4.23 -0.65 -4.51 115.64 104.78 1qpb s THR 116 Ca 0.14 -2.04 0.18 0.00 -1.18 0.00 0.00 61.69 58.79 1qpb s THR 116 Cb -0.06 -2.04 0.24 0.00 1.34 0.00 0.00 72.50 71.98 1qpb s THR 116 CO 0.17 -0.58 1.55 0.18 -0.54 0.00 0.00 174.62 175.40 1qpb n LEU 117 N -0.27 0.00 0.00 4.79 4.32 -1.26 -4.86 117.00 119.72 1qpb n LEU 117 Ca -0.08 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1qpb n LEU 117 Cb 0.62 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1qpb n LEU 117 CO 0.34 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 1qpb n GLY 118 N 0.27 1.20 1.42 -0.72 0.00 -1.26 -4.89 105.19 101.21 1qpb n GLY 118 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1qpb n GLY 118 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qpb n ASN 119 N 0.00 4.14 0.00 1.61 6.94 -1.26 -4.95 115.26 121.75 1qpb n ASN 119 Ca 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 1qpb n ASN 119 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 1qpb n ASN 119 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qpb n GLY 120 N 1.44 3.03 3.57 4.83 0.00 -1.26 -4.98 105.19 111.82 1qpb n GLY 120 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1qpb n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qpb s ASP 121 N -1.14 6.26 0.00 1.61 2.15 -1.26 -4.90 116.67 119.39 1qpb s ASP 121 Ca 0.00 0.09 0.18 0.00 0.43 0.00 0.00 52.55 53.25 1qpb s ASP 121 Cb 0.00 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.58 1qpb s ASP 121 CO 0.00 -1.64 1.43 0.49 -0.17 0.00 0.00 175.17 175.27 1qpb n PHE 122 N 9.11 0.71 0.75 -5.34 3.72 -1.26 -4.00 117.46 121.14 1qpb n PHE 122 Ca 0.09 -0.35 0.08 0.00 -0.05 0.00 0.00 57.45 57.22 1qpb n PHE 122 Cb 0.49 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 1qpb n PHE 122 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qpb n THR 123 N 1.16 0.00 -0.17 4.37 -2.24 -1.26 -4.65 114.28 111.49 1qpb n THR 123 Ca 0.19 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 1qpb n THR 123 Cb 0.49 1.10 0.07 0.00 -2.10 0.00 0.00 70.33 69.89 1qpb n THR 123 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1qpb h VAL 124 N 0.93 0.74 -0.19 2.28 3.04 -2.00 0.84 116.25 121.89 1qpb h VAL 124 Ca 0.00 -0.09 -0.06 0.00 -1.01 0.00 0.00 66.70 65.54 1qpb h VAL 124 Cb 0.48 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.18 1qpb h VAL 124 CO 0.00 0.05 -0.15 -0.26 -1.01 0.00 0.00 177.57 176.20 1qpb h PHE 125 N 0.27 0.34 0.14 3.17 0.04 -1.88 -1.05 116.94 117.96 1qpb h PHE 125 Ca 0.26 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1qpb h PHE 125 Cb 0.34 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1qpb h PHE 125 CO -0.21 0.46 -0.07 1.25 -0.60 0.00 0.00 178.31 179.14 1qpb h HIS 126 N 0.30 -0.17 -0.95 -0.55 -0.00 -1.66 -2.50 115.15 109.61 1qpb h HIS 126 Ca 0.06 -0.00 0.20 0.00 -0.00 0.00 0.00 60.37 60.62 1qpb h HIS 126 Cb 0.45 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.83 1qpb h HIS 126 CO 0.01 0.24 0.61 0.00 -0.00 0.00 0.00 177.93 178.79 1qpb h ARG 127 N -0.67 0.55 -0.01 5.26 3.08 -0.55 -1.41 114.38 120.64 1qpb h ARG 127 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qpb h ARG 127 Cb 0.50 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1qpb h ARG 127 CO 0.03 0.36 0.00 0.52 -1.07 0.00 0.00 179.97 179.82 1qpb h MET 128 N 0.56 0.02 0.00 0.04 2.86 -1.11 -2.71 114.93 114.60 1qpb h MET 128 Ca 0.51 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 1qpb h MET 128 Cb 1.05 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1qpb h MET 128 CO -0.25 0.28 0.00 0.43 1.06 0.00 0.00 176.91 178.43 1qpb n SER 129 N -4.95 0.61 -0.27 1.22 7.64 -0.61 -2.72 113.62 114.54 1qpb n SER 129 Ca -0.08 0.71 0.01 0.00 1.01 0.00 0.00 58.87 60.52 1qpb n SER 129 Cb 0.15 -0.82 0.22 0.00 -1.01 0.00 0.00 64.21 62.76 1qpb n SER 129 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qpb h ALA 130 N 2.13 1.44 0.00 -0.43 0.00 -1.00 -2.75 119.26 118.65 1qpb h ALA 130 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qpb h ALA 130 Cb 0.18 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1qpb h ALA 130 CO 0.00 0.50 -0.07 -0.91 0.00 0.00 0.00 179.25 178.77 1qpb h ASN 131 N 1.09 0.00 0.00 0.00 2.35 -1.66 -2.70 115.58 114.66 1qpb h ASN 131 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1qpb h ASN 131 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1qpb h ASN 131 CO -0.08 0.07 -0.51 2.30 -1.65 0.00 0.00 177.43 177.56 1qpb n ILE 132 N -3.44 2.13 -4.66 2.81 -5.35 -1.06 -5.01 119.36 104.78 1qpb n ILE 132 Ca -0.02 -3.15 -0.24 0.00 -0.27 0.00 0.00 62.75 59.08 1qpb n ILE 132 Cb 0.21 -0.20 -0.15 0.00 -1.74 0.00 0.00 39.64 37.77 1qpb n ILE 132 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1qpb s SER 133 N -3.19 2.00 0.15 7.28 0.01 -1.02 -4.70 113.70 114.23 1qpb s SER 133 Ca 0.38 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 1qpb s SER 133 Cb 0.37 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1qpb s SER 133 CO -0.07 0.16 1.57 -0.08 0.41 0.00 0.00 173.24 175.23 1qpb h GLU 134 N 5.36 0.87 -3.08 12.44 4.57 -0.80 -3.46 114.58 130.49 1qpb h GLU 134 Ca -0.38 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.46 1qpb h GLU 134 Cb 1.16 -0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.57 1qpb h GLU 134 CO 0.46 0.95 0.14 -0.08 -1.18 0.00 0.00 179.01 179.31 1qpb s THR 135 N -4.88 0.02 0.06 0.32 -1.32 -1.26 -5.09 115.64 103.48 1qpb s THR 135 Ca -0.12 -0.14 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1qpb s THR 135 Cb 0.11 -1.04 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 1qpb s THR 135 CO 0.83 -0.08 -0.09 0.42 -2.21 0.00 0.00 174.62 173.50 1qpb s THR 136 N -3.71 0.69 -0.20 5.08 -4.23 -1.26 -2.28 115.64 109.72 1qpb s THR 136 Ca 0.01 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 1qpb s THR 136 Cb -0.00 -0.89 0.09 0.00 1.34 0.00 0.00 72.50 73.04 1qpb s THR 136 CO -0.12 -0.44 0.19 0.00 -0.54 0.00 0.00 174.62 173.71 1qpb s ALA 137 N -1.75 -0.09 -0.62 3.99 0.00 0.10 -4.98 121.76 118.41 1qpb s ALA 137 Ca -0.05 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1qpb s ALA 137 Cb -0.07 -1.28 0.16 0.00 0.00 0.00 0.00 23.12 21.93 1qpb s ALA 137 CO 0.00 -1.23 0.53 1.41 0.00 0.00 0.00 175.76 176.46 1qpb s MET 138 N 2.28 2.96 0.32 0.00 1.75 -1.26 -1.36 119.30 123.99 1qpb s MET 138 Ca 0.06 -2.08 -0.29 0.00 -1.25 0.00 0.00 55.69 52.13 1qpb s MET 138 Cb -0.16 -4.14 -0.10 0.00 2.84 0.00 0.00 34.83 33.27 1qpb s MET 138 CO -0.13 -1.25 1.32 0.42 -0.65 0.00 0.00 175.02 174.73 1qpb s ILE 139 N 0.83 2.71 0.00 10.11 1.01 -1.15 -4.98 121.20 129.73 1qpb s ILE 139 Ca 0.11 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1qpb s ILE 139 Cb -0.21 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1qpb s ILE 139 CO -0.03 0.16 0.00 0.35 0.00 0.00 0.00 174.94 175.42 1qpb n THR 140 N 1.00 0.00 -4.11 2.92 -2.24 -1.26 -4.54 114.28 106.04 1qpb n THR 140 Ca 0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.59 1qpb n THR 140 Cb 0.42 -0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 67.73 1qpb n THR 140 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1qpb s ASP 141 N -2.69 0.97 0.00 3.42 -4.77 -1.26 -4.99 116.67 107.36 1qpb s ASP 141 Ca 0.00 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 1qpb s ASP 141 Cb 0.00 -0.44 0.00 0.00 -1.09 0.00 0.00 42.92 41.39 1qpb s ASP 141 CO 0.00 -0.07 0.65 2.30 0.70 0.00 0.00 175.17 178.75 1qpb n ILE 142 N 4.15 0.68 0.28 2.11 -6.64 -1.26 -2.19 119.36 116.49 1qpb n ILE 142 Ca -0.23 0.18 0.16 0.00 -1.77 0.00 0.00 62.75 61.09 1qpb n ILE 142 Cb 0.51 -1.18 0.92 0.00 -1.44 0.00 0.00 39.64 38.45 1qpb n ILE 142 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1qpb h ALA 143 N 1.88 1.55 0.00 -1.28 0.00 -1.99 -3.20 119.26 116.22 1qpb h ALA 143 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qpb h ALA 143 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qpb h ALA 143 CO 0.00 -0.09 -0.09 0.25 0.00 0.00 0.00 179.25 179.33 1qpb n THR 144 N -3.75 0.00 -0.25 0.00 -2.24 -0.93 -4.92 114.28 102.20 1qpb n THR 144 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1qpb n THR 144 Cb 0.15 0.66 0.17 0.00 -2.10 0.00 0.00 70.33 69.22 1qpb n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpb h ALA 145 N 0.00 0.89 -0.54 6.98 0.00 -1.53 -1.20 119.26 123.86 1qpb h ALA 145 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1qpb h ALA 145 Cb 1.07 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1qpb h ALA 145 CO 0.00 -0.38 0.30 -1.00 0.00 0.00 0.00 179.25 178.17 1qpb h PRO 146 N 0.20 0.75 -0.76 0.00 0.13 -1.91 -0.24 132.00 130.16 1qpb h PRO 146 Ca 0.41 -0.09 0.05 0.00 -0.87 0.00 0.00 66.00 65.51 1qpb h PRO 146 Cb 0.72 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.65 1qpb h PRO 146 CO -0.56 0.57 0.50 0.00 -0.23 0.00 0.00 178.00 178.29 1qpb h ALA 147 N 1.13 1.61 -0.03 -0.56 0.00 -1.64 0.15 119.26 119.93 1qpb h ALA 147 Ca 0.19 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1qpb h ALA 147 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1qpb h ALA 147 CO -0.03 0.28 -0.62 0.93 0.00 0.00 0.00 179.25 179.82 1qpb h GLU 148 N 0.86 0.09 0.05 0.00 4.39 -0.49 -1.49 114.58 118.00 1qpb h GLU 148 Ca 0.32 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1qpb h GLU 148 Cb 0.16 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1qpb h GLU 148 CO -0.10 0.68 -0.02 0.82 -1.16 0.00 0.00 179.01 179.23 1qpb h ILE 149 N 0.07 1.31 -0.65 3.13 2.04 0.22 -2.30 117.51 121.32 1qpb h ILE 149 Ca -0.01 -1.31 0.14 0.00 1.00 0.00 0.00 64.86 64.68 1qpb h ILE 149 Cb 1.11 2.15 -0.12 0.00 -0.74 0.00 0.00 36.82 39.22 1qpb h ILE 149 CO 0.09 0.32 -0.07 0.44 0.00 0.00 0.00 178.15 178.92 1qpb h ASP 150 N -0.66 -0.44 -0.26 1.72 5.19 -0.71 -0.55 116.42 120.72 1qpb h ASP 150 Ca -0.01 0.18 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1qpb h ASP 150 Cb 0.58 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 40.39 1qpb h ASP 150 CO 0.01 -0.17 0.04 -0.09 -3.12 0.00 0.00 179.24 175.91 1qpb h ARG 151 N 0.06 0.13 -0.22 3.56 2.43 -1.20 0.69 114.38 119.82 1qpb h ARG 151 Ca 0.33 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1qpb h ARG 151 Cb 0.54 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1qpb h ARG 151 CO -0.61 0.08 -0.12 0.00 -1.51 0.00 0.00 179.97 177.81 1qpb h ILE 153 N 0.33 1.44 -0.14 0.00 2.04 -0.25 -2.19 117.51 118.74 1qpb h ILE 153 Ca 0.07 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 1qpb h ILE 153 Cb 0.42 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1qpb h ILE 153 CO 0.02 0.49 0.09 -0.09 0.00 0.00 0.00 178.15 178.66 1qpb h ARG 154 N -0.22 0.19 -0.48 2.37 2.43 0.69 -2.23 114.38 117.13 1qpb h ARG 154 Ca -0.02 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1qpb h ARG 154 Cb 0.95 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 1qpb h ARG 154 CO 0.06 0.16 0.25 1.15 -1.51 0.00 0.00 179.97 180.08 1qpb h THR 155 N 0.16 0.97 0.27 0.20 2.02 -0.46 -0.35 112.91 115.73 1qpb h THR 155 Ca 0.05 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1qpb h THR 155 Cb 0.02 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1qpb h THR 155 CO -0.01 0.09 -0.38 0.74 0.37 0.00 0.00 175.52 176.33 1qpb h THR 156 N 0.49 0.23 0.13 3.16 2.02 -1.19 -1.30 112.91 116.45 1qpb h THR 156 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1qpb h THR 156 Cb 0.10 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1qpb h THR 156 CO -0.14 0.00 -0.06 0.22 0.37 0.00 0.00 175.52 175.91 1qpb h TYR 157 N -0.71 -0.17 -0.19 3.16 3.20 -1.20 0.22 116.97 121.28 1qpb h TYR 157 Ca -0.01 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1qpb h TYR 157 Cb 0.67 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1qpb h TYR 157 CO -0.26 -0.09 -0.03 0.28 -1.64 0.00 0.00 178.16 176.42 1qpb h VAL 158 N -0.20 0.83 -0.04 1.81 2.07 -1.03 -3.17 116.25 116.52 1qpb h VAL 158 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1qpb h VAL 158 Cb 0.16 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1qpb h VAL 158 CO 0.03 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.97 1qpb n THR 159 N -5.17 0.01 -4.00 2.57 -2.24 -0.49 -5.01 114.28 99.94 1qpb n THR 159 Ca -0.03 -0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1qpb n THR 159 Cb 0.12 1.43 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 1qpb n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpb n GLN 160 N 1.28 -0.72 -3.74 -0.78 1.13 0.76 -4.94 117.38 110.39 1qpb n GLN 160 Ca 0.14 0.19 -0.14 0.00 -1.94 0.00 0.00 57.00 55.25 1qpb n GLN 160 Cb 0.59 -3.12 -0.09 0.00 0.11 0.00 0.00 30.24 27.73 1qpb n GLN 160 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qpb s ARG 161 N -7.04 0.68 0.23 -1.09 0.52 -1.21 -1.97 118.95 109.07 1qpb s ARG 161 Ca 0.42 -0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.24 1qpb s ARG 161 Cb -0.21 0.31 -0.14 0.00 0.52 0.00 0.00 34.95 35.43 1qpb s ARG 161 CO 0.94 -0.18 1.31 -2.30 0.02 0.00 0.00 175.30 175.09 1qpb n PRO 162 N 1.41 1.76 -4.58 3.54 -0.02 -1.19 -4.15 135.00 131.77 1qpb n PRO 162 Ca -0.20 0.63 -0.27 0.00 -2.02 0.00 0.00 63.50 61.63 1qpb n PRO 162 Cb 0.56 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.66 1qpb n PRO 162 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qpb s VAL 163 N -0.21 1.39 -0.19 -1.45 1.01 -0.50 -0.11 120.40 120.34 1qpb s VAL 163 Ca 0.68 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1qpb s VAL 163 Cb -0.70 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1qpb s VAL 163 CO 0.52 0.41 0.61 -0.47 0.00 0.00 0.00 175.10 176.17 1qpb s TYR 164 N 0.81 3.39 -0.29 5.22 6.14 -0.97 -0.73 117.35 130.92 1qpb s TYR 164 Ca -0.11 0.92 0.01 0.00 0.64 0.00 0.00 57.07 58.53 1qpb s TYR 164 Cb -0.16 -2.76 0.08 0.00 0.42 0.00 0.00 41.96 39.54 1qpb s TYR 164 CO 0.02 -0.13 0.02 -1.17 0.64 0.00 0.00 175.55 174.93 1qpb s LEU 165 N 1.74 3.18 -0.11 6.97 0.20 0.64 -0.72 118.68 130.58 1qpb s LEU 165 Ca 0.28 -1.62 -0.20 0.00 0.69 0.00 0.00 54.13 53.28 1qpb s LEU 165 Cb -0.16 -1.24 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 1qpb s LEU 165 CO 0.11 -0.33 0.55 -0.83 -0.29 0.00 0.00 176.35 175.55 1qpb s GLY 166 N 1.30 2.45 -0.20 7.98 0.00 -0.47 -2.14 107.32 116.24 1qpb s GLY 166 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.66 1qpb s GLY 166 CO -0.12 0.91 -0.04 -2.27 0.00 0.00 0.00 173.10 171.59 1qpb s LEU 167 N 0.72 2.00 0.44 0.66 2.96 -0.92 -2.96 118.68 121.59 1qpb s LEU 167 Ca 0.30 -0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 53.01 1qpb s LEU 167 Cb -0.16 -0.99 -0.08 0.00 0.50 0.00 0.00 46.19 45.46 1qpb s LEU 167 CO 0.13 -0.23 1.42 -2.84 -1.32 0.00 0.00 176.35 173.50 1qpb s PRO 168 N 1.56 3.73 0.21 0.98 0.02 -1.26 -0.74 135.00 139.49 1qpb s PRO 168 Ca -0.03 2.40 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 1qpb s PRO 168 Cb -0.17 -2.68 0.17 0.00 0.02 0.00 0.00 34.50 31.84 1qpb s PRO 168 CO -0.07 -0.78 1.86 0.00 -0.33 0.00 0.00 177.00 177.69 1qpb h ALA 169 N 2.38 0.92 0.00 -1.55 0.00 -0.14 -2.73 119.26 118.14 1qpb h ALA 169 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1qpb h ALA 169 Cb 1.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qpb h ALA 169 CO 0.61 0.29 0.00 0.27 0.00 0.00 0.00 179.25 180.42 1qpb n ASN 170 N -4.62 0.50 -0.01 0.00 6.94 -1.26 -2.42 115.26 114.39 1qpb n ASN 170 Ca 0.07 0.71 -0.01 0.00 -0.02 0.00 0.00 54.58 55.33 1qpb n ASN 170 Cb 0.05 -0.78 -0.12 0.00 -2.36 0.00 0.00 39.78 36.57 1qpb n ASN 170 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qpb n LEU 171 N -2.14 0.50 0.11 -4.53 4.77 -1.03 -4.21 117.00 110.46 1qpb n LEU 171 Ca -0.00 0.22 0.20 0.00 -0.03 0.00 0.00 56.01 56.39 1qpb n LEU 171 Cb 0.07 0.17 0.75 0.00 -2.33 0.00 0.00 43.42 42.08 1qpb n LEU 171 CO 0.10 0.21 1.18 -0.37 -1.33 0.00 0.00 177.39 177.18 1qpb h VAL 172 N 0.00 0.34 -0.70 4.08 -1.51 -1.52 -0.77 116.25 116.18 1qpb h VAL 172 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1qpb h VAL 172 Cb 1.66 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1qpb h VAL 172 CO 0.03 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.84 1qpb n ASP 173 N -3.65 3.96 -4.90 4.19 8.00 -1.26 -0.84 116.55 122.05 1qpb n ASP 173 Ca 0.07 -2.05 -0.28 0.00 0.71 0.00 0.00 54.79 53.23 1qpb n ASP 173 Cb 0.60 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1qpb n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qpb s LEU 174 N -1.09 3.84 0.04 0.64 1.43 -0.29 -4.88 118.68 118.38 1qpb s LEU 174 Ca 0.47 0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 54.38 1qpb s LEU 174 Cb 0.25 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1qpb s LEU 174 CO 0.31 -0.39 0.36 0.20 0.23 0.00 0.00 176.35 177.06 1qpb s ASN 175 N -3.52 6.62 0.08 2.29 0.01 -1.26 -1.23 114.94 117.94 1qpb s ASN 175 Ca 0.47 0.75 0.03 0.00 -0.71 0.00 0.00 52.86 53.41 1qpb s ASN 175 Cb -0.10 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1qpb s ASN 175 CO 0.35 0.22 -0.10 0.68 -1.51 0.00 0.00 177.10 176.75 1qpb s VAL 176 N -1.32 0.84 -0.43 1.60 -7.23 0.32 -4.91 120.40 109.27 1qpb s VAL 176 Ca 0.30 -1.46 -0.32 0.00 -1.81 0.00 0.00 61.98 58.69 1qpb s VAL 176 Cb -0.14 -1.13 -0.11 0.00 0.56 0.00 0.00 36.38 35.56 1qpb s VAL 176 CO 0.16 -0.48 2.29 -2.65 -0.31 0.00 0.00 175.10 174.11 1qpb n PRO 177 N 0.87 1.06 0.25 4.82 -0.02 -1.26 -1.14 135.00 139.58 1qpb n PRO 177 Ca -0.18 0.24 0.17 0.00 -2.02 0.00 0.00 63.50 61.71 1qpb n PRO 177 Cb 0.57 -2.63 0.89 0.00 -0.02 0.00 0.00 33.50 32.31 1qpb n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qpb h ALA 178 N 13.97 1.63 -0.74 3.55 0.00 -1.74 -1.53 119.26 134.39 1qpb h ALA 178 Ca -0.26 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1qpb h ALA 178 Cb 1.30 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1qpb h ALA 178 CO 1.08 -0.23 0.30 -0.22 0.00 0.00 0.00 179.25 180.19 1qpb h LYS 179 N 0.00 0.45 -0.66 0.00 1.63 -1.88 -1.35 116.57 114.76 1qpb h LYS 179 Ca 0.06 -0.03 0.19 0.00 -0.85 0.00 0.00 60.65 60.02 1qpb h LYS 179 Cb 0.38 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1qpb h LYS 179 CO -0.00 0.30 0.89 -0.07 -3.45 0.00 0.00 179.45 177.11 1qpb h LEU 180 N 0.46 0.00 -0.21 5.20 3.38 -1.66 0.48 115.31 122.96 1qpb h LEU 180 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1qpb h LEU 180 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1qpb h LEU 180 CO -0.38 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.33 1qpb n LEU 181 N -3.29 0.41 0.20 1.67 4.77 -0.51 -3.50 117.00 116.75 1qpb n LEU 181 Ca 0.14 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 1qpb n LEU 181 Cb 1.11 -0.48 0.38 0.00 -2.33 0.00 0.00 43.42 42.10 1qpb n LEU 181 CO 0.22 -0.27 0.88 1.56 -1.33 0.00 0.00 177.39 178.44 1qpb h GLN 182 N 0.00 0.00 -4.28 3.23 4.20 -1.10 -3.40 115.11 113.76 1qpb h GLN 182 Ca 0.00 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 57.97 1qpb h GLN 182 Cb 0.46 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 27.98 1qpb h GLN 182 CO 0.00 0.00 -0.35 0.99 -0.67 0.00 0.00 178.83 178.80 1qpb s THR 183 N -3.32 4.72 1.00 -0.54 2.01 -1.23 -5.07 115.64 113.22 1qpb s THR 183 Ca 0.06 -1.44 -0.14 0.00 0.31 0.00 0.00 61.69 60.47 1qpb s THR 183 Cb 0.08 -3.96 0.05 0.00 0.01 0.00 0.00 72.50 68.69 1qpb s THR 183 CO 0.59 -0.68 0.28 -0.81 -0.69 0.00 0.00 174.62 173.31 1qpb n PRO 184 N 5.07 -0.66 -2.70 4.92 -0.04 -1.26 -4.92 135.00 135.41 1qpb n PRO 184 Ca -0.11 -0.16 -0.38 0.00 -0.04 0.00 0.00 63.50 62.81 1qpb n PRO 184 Cb 0.42 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1qpb n PRO 184 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qpb s ILE 185 N -2.35 4.01 -0.41 0.52 1.01 -1.26 -4.98 121.20 117.74 1qpb s ILE 185 Ca 0.56 1.72 -0.28 0.00 0.00 0.00 0.00 60.65 62.65 1qpb s ILE 185 Cb -0.18 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.33 1qpb s ILE 185 CO 0.67 0.18 1.08 -0.62 0.00 0.00 0.00 174.94 176.26 1qpb s ASP 186 N -1.47 6.73 -0.17 3.58 2.15 -1.26 -4.87 116.67 121.36 1qpb s ASP 186 Ca 0.50 0.66 0.16 0.00 0.43 0.00 0.00 52.55 54.29 1qpb s ASP 186 Cb -0.22 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.45 1qpb s ASP 186 CO 0.27 -1.08 1.49 0.23 -0.17 0.00 0.00 175.17 175.91 1qpb n MET 187 N 7.37 3.39 -3.52 4.34 2.81 -1.26 -4.93 117.12 125.32 1qpb n MET 187 Ca 0.11 -2.83 -0.25 0.00 -1.81 0.00 0.00 57.70 52.92 1qpb n MET 187 Cb 0.48 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 1qpb n MET 187 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1qpb s SER 188 N -1.53 6.35 -0.00 7.83 0.01 -1.26 -4.85 113.70 120.25 1qpb s SER 188 Ca 0.43 0.45 -0.10 0.00 1.31 0.00 0.00 55.95 58.04 1qpb s SER 188 Cb 0.33 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.48 1qpb s SER 188 CO 0.12 -0.18 0.31 -0.76 0.41 0.00 0.00 173.24 173.14 1qpb s LEU 189 N -3.85 4.40 0.54 2.44 1.43 -1.26 -5.07 118.68 117.31 1qpb s LEU 189 Ca 0.40 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 1qpb s LEU 189 Cb -0.10 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.46 1qpb s LEU 189 CO 0.32 0.29 1.10 -0.54 0.23 0.00 0.00 176.35 177.75 1qpb s LYS 190 N -1.45 3.41 0.77 1.70 3.01 -1.26 -4.98 119.74 120.94 1qpb s LYS 190 Ca 0.25 1.53 -0.13 0.00 -1.01 0.00 0.00 55.97 56.60 1qpb s LYS 190 Cb -0.14 -2.02 0.06 0.00 -1.01 0.00 0.00 37.83 34.71 1qpb s LYS 190 CO 0.13 -0.78 1.16 -1.25 0.51 0.00 0.00 175.35 175.12 1qpb s PRO 191 N -3.36 2.01 0.69 -1.68 0.04 -1.26 -4.99 135.00 126.45 1qpb s PRO 191 Ca 0.71 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1qpb s PRO 191 Cb -0.22 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1qpb s PRO 191 CO 0.27 -1.89 1.07 -0.80 0.04 0.00 0.00 177.00 175.69 1qpb s ASN 192 N -2.46 5.23 -0.10 6.66 0.02 -1.26 -4.94 114.94 118.10 1qpb s ASN 192 Ca 0.70 1.72 -0.29 0.00 -1.02 0.00 0.00 52.86 53.96 1qpb s ASN 192 Cb -0.25 -2.51 -0.06 0.00 0.02 0.00 0.00 41.25 38.45 1qpb s ASN 192 CO 0.49 -1.54 1.88 -0.62 0.02 0.00 0.00 177.10 177.33 1qpb s ASP 193 N -3.46 6.25 0.21 -1.22 2.15 -1.26 -4.87 116.67 114.47 1qpb s ASP 193 Ca 0.60 2.17 -0.14 0.00 0.43 0.00 0.00 52.55 55.61 1qpb s ASP 193 Cb -0.15 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.17 1qpb s ASP 193 CO 0.51 -1.28 1.62 0.00 -0.17 0.00 0.00 175.17 175.85 1qpb h ALA 194 N 11.43 0.36 0.00 3.66 0.00 -1.99 -1.48 119.26 131.24 1qpb h ALA 194 Ca -0.42 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1qpb h ALA 194 Cb 1.21 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1qpb h ALA 194 CO 0.96 -0.46 -0.10 0.93 0.00 0.00 0.00 179.25 180.58 1qpb h GLU 195 N -0.03 0.00 0.00 0.00 4.39 -1.99 -1.83 114.58 115.12 1qpb h GLU 195 Ca 0.30 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.75 1qpb h GLU 195 Cb 0.49 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1qpb h GLU 195 CO -0.68 0.10 -1.39 0.43 -1.16 0.00 0.00 179.01 176.32 1qpb n SER 196 N -3.76 1.87 -0.29 1.42 7.64 -0.81 -2.80 113.62 116.89 1qpb n SER 196 Ca -0.02 0.41 0.16 0.00 1.01 0.00 0.00 58.87 60.43 1qpb n SER 196 Cb 0.21 -0.95 0.42 0.00 -1.01 0.00 0.00 64.21 62.88 1qpb n SER 196 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1qpb h GLU 197 N -1.00 0.56 0.59 1.43 4.81 -1.33 0.36 114.58 120.00 1qpb h GLU 197 Ca -0.39 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1qpb h GLU 197 Cb 1.33 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1qpb h GLU 197 CO -0.23 0.37 -0.30 -0.22 -0.73 0.00 0.00 179.01 177.90 1qpb h LYS 198 N 0.58 -0.78 -0.77 1.92 3.11 -1.46 -1.64 116.57 117.53 1qpb h LYS 198 Ca 0.51 0.05 0.18 0.00 -2.81 0.00 0.00 60.65 58.58 1qpb h LYS 198 Cb 1.02 0.18 -0.13 0.00 -1.00 0.00 0.00 32.23 32.29 1qpb h LYS 198 CO -0.25 -0.52 0.03 1.49 -2.81 0.00 0.00 179.45 177.39 1qpb h GLU 199 N -0.81 0.11 -0.74 1.90 4.81 -0.90 0.39 114.58 119.34 1qpb h GLU 199 Ca -0.08 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1qpb h GLU 199 Cb 0.62 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 1qpb h GLU 199 CO 0.12 0.07 0.34 0.28 -0.73 0.00 0.00 179.01 179.09 1qpb h VAL 200 N 0.11 0.76 0.46 0.32 2.07 -0.18 -2.74 116.25 117.05 1qpb h VAL 200 Ca 0.43 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1qpb h VAL 200 Cb 0.77 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1qpb h VAL 200 CO -0.67 0.10 -0.22 0.40 0.02 0.00 0.00 177.57 177.20 1qpb h ILE 201 N 0.54 0.00 -0.12 4.57 5.03 0.73 -2.20 117.51 126.06 1qpb h ILE 201 Ca 0.39 -0.09 0.01 0.00 -0.12 0.00 0.00 64.86 65.05 1qpb h ILE 201 Cb 0.50 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.28 1qpb h ILE 201 CO -0.33 0.00 -0.07 0.47 -0.68 0.00 0.00 178.15 177.54 1qpb n ASP 202 N -3.91 -0.12 -0.22 1.72 9.92 -0.72 0.78 116.55 124.00 1qpb n ASP 202 Ca -0.08 0.47 0.01 0.00 -0.53 0.00 0.00 54.79 54.67 1qpb n ASP 202 Cb 0.24 -0.16 0.09 0.00 -0.64 0.00 0.00 41.12 40.66 1qpb n ASP 202 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1qpb h THR 203 N 0.00 0.41 -0.65 -3.53 2.02 -1.51 -0.47 112.91 109.18 1qpb h THR 203 Ca 0.02 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1qpb h THR 203 Cb 0.05 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1qpb h THR 203 CO -0.11 0.01 0.23 0.40 0.37 0.00 0.00 175.52 176.42 1qpb h ILE 204 N 0.06 1.23 -0.16 3.11 2.04 0.10 0.25 117.51 124.14 1qpb h ILE 204 Ca 0.33 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1qpb h ILE 204 Cb 0.53 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1qpb h ILE 204 CO -0.60 0.30 -0.17 -0.07 0.00 0.00 0.00 178.15 177.61 1qpb h LEU 205 N 0.94 0.43 -0.76 1.44 -0.00 -0.83 0.20 115.31 116.74 1qpb h LEU 205 Ca 0.22 -0.49 0.17 0.00 -0.00 0.00 0.00 57.88 57.79 1qpb h LEU 205 Cb 0.22 -0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 40.64 1qpb h LEU 205 CO -0.01 0.83 0.14 0.58 -0.00 0.00 0.00 178.44 179.98 1qpb h VAL 206 N 0.04 0.44 -0.30 1.22 2.07 -0.58 0.47 116.25 119.60 1qpb h VAL 206 Ca 0.02 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1qpb h VAL 206 Cb 0.71 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1qpb h VAL 206 CO 0.04 0.04 -0.27 -0.07 0.02 0.00 0.00 177.57 177.33 1qpb h LEU 207 N 0.21 0.76 -1.51 2.57 4.07 -0.24 -2.77 115.31 118.39 1qpb h LEU 207 Ca 0.44 -0.46 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1qpb h LEU 207 Cb 0.78 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1qpb h LEU 207 CO -0.57 1.06 -0.25 0.40 -1.08 0.00 0.00 178.44 177.99 1qpb h ILE 208 N 0.47 1.10 -0.05 1.22 2.04 0.13 -1.32 117.51 121.10 1qpb h ILE 208 Ca 0.05 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1qpb h ILE 208 Cb 0.83 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1qpb h ILE 208 CO 0.07 0.25 -0.14 0.11 0.00 0.00 0.00 178.15 178.44 1qpb h LYS 209 N 0.00 0.17 0.00 2.37 1.57 -0.08 -3.25 116.57 117.36 1qpb h LYS 209 Ca -0.00 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1qpb h LYS 209 Cb 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1qpb h LYS 209 CO 0.03 0.75 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.79 1qpb h ASP 210 N -0.37 0.00 -3.95 0.86 3.32 -1.37 -3.44 116.42 111.47 1qpb h ASP 210 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1qpb h ASP 210 Cb 0.76 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.42 1qpb h ASP 210 CO 0.03 0.43 0.75 0.00 -1.72 0.00 0.00 179.24 178.73 1qpb s ALA 211 N -3.70 3.49 -0.09 3.45 0.00 -0.51 -4.93 121.76 119.47 1qpb s ALA 211 Ca -0.01 1.53 0.08 0.00 0.00 0.00 0.00 51.96 53.56 1qpb s ALA 211 Cb 0.12 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1qpb s ALA 211 CO 0.71 -1.07 0.03 1.63 0.00 0.00 0.00 175.76 177.06 1qpb n LYS 212 N 0.31 2.39 -3.56 0.00 4.76 -1.26 -4.85 118.16 115.96 1qpb n LYS 212 Ca 0.02 -0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.18 1qpb n LYS 212 Cb 0.40 -1.24 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 1qpb n LYS 212 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1qpb s ASN 213 N -4.19 2.58 0.52 4.39 2.47 -1.26 -5.02 114.94 114.43 1qpb s ASN 213 Ca -0.05 -3.21 -0.09 0.00 0.42 0.00 0.00 52.86 49.92 1qpb s ASN 213 Cb 0.03 -0.80 -0.05 0.00 -1.45 0.00 0.00 41.25 38.98 1qpb s ASN 213 CO 0.38 -0.16 0.89 -2.84 -3.72 0.00 0.00 177.10 171.65 1qpb s PRO 214 N -0.29 3.65 -0.16 0.43 0.02 -1.26 -1.73 135.00 135.66 1qpb s PRO 214 Ca 0.29 0.53 -0.15 0.00 0.02 0.00 0.00 61.00 61.68 1qpb s PRO 214 Cb -0.02 -2.25 0.04 0.00 0.02 0.00 0.00 34.50 32.30 1qpb s PRO 214 CO -0.17 -0.31 0.43 0.14 -0.33 0.00 0.00 177.00 176.76 1qpb s VAL 215 N -2.82 0.00 0.02 3.83 -7.23 -1.15 -4.04 120.40 109.01 1qpb s VAL 215 Ca 0.52 -0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.58 1qpb s VAL 215 Cb -0.10 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 1qpb s VAL 215 CO 0.44 -0.01 0.34 -0.63 -0.31 0.00 0.00 175.10 174.93 1qpb s ILE 216 N 0.17 5.18 -0.27 -0.62 1.01 0.94 -2.13 121.20 125.48 1qpb s ILE 216 Ca -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 1qpb s ILE 216 Cb -0.03 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.92 1qpb s ILE 216 CO 0.01 0.41 0.09 -0.22 0.00 0.00 0.00 174.94 175.23 1qpb s LEU 217 N -1.58 1.36 0.02 2.97 2.96 -0.90 -0.87 118.68 122.65 1qpb s LEU 217 Ca 0.27 -1.29 -0.30 0.00 -0.22 0.00 0.00 54.13 52.60 1qpb s LEU 217 Cb -0.14 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 1qpb s LEU 217 CO 0.15 -0.39 1.09 0.00 -1.32 0.00 0.00 176.35 175.87 1qpb s ALA 218 N 1.85 3.28 0.33 5.97 0.00 -0.17 -1.19 121.76 131.83 1qpb s ALA 218 Ca 0.07 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.75 1qpb s ALA 218 Cb -0.17 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1qpb s ALA 218 CO -0.24 -0.35 0.04 0.34 0.00 0.00 0.00 175.76 175.55 1qpb s ASP 219 N 1.05 2.65 0.00 0.00 -1.08 0.71 -2.78 116.67 117.22 1qpb s ASP 219 Ca 0.55 -1.36 -0.00 0.00 -0.52 0.00 0.00 52.55 51.22 1qpb s ASP 219 Cb -0.25 -0.14 -0.00 0.00 -1.46 0.00 0.00 42.92 41.07 1qpb s ASP 219 CO 0.28 -0.56 0.02 0.00 0.52 0.00 0.00 175.17 175.44 1qpb n ALA 220 N -0.72 -0.01 0.81 3.66 0.00 -1.25 -1.11 120.51 121.88 1qpb n ALA 220 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1qpb n ALA 220 Cb 0.66 -0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.13 1qpb n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qpb n SER 223 N 0.30 1.88 -2.11 0.00 3.41 -1.22 -4.40 113.62 111.48 1qpb n SER 223 Ca 0.05 0.45 -0.28 0.00 -0.26 0.00 0.00 58.87 58.84 1qpb n SER 223 Cb 0.24 -0.87 0.09 0.00 -0.26 0.00 0.00 64.21 63.41 1qpb n SER 223 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qpb n ARG 224 N -4.45 2.78 -0.24 4.33 3.00 -1.26 -4.52 116.66 116.29 1qpb n ARG 224 Ca -0.27 -3.47 0.08 0.00 -0.01 0.00 0.00 57.85 54.19 1qpb n ARG 224 Cb 0.58 -2.22 0.17 0.00 0.00 0.00 0.00 32.46 30.99 1qpb n ARG 224 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1qpb n HIS 225 N -0.92 0.13 -3.86 -1.55 8.25 -1.26 -4.98 115.22 111.03 1qpb n HIS 225 Ca 0.54 -1.11 -0.25 0.00 -0.26 0.00 0.00 57.72 56.64 1qpb n HIS 225 Cb 0.90 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.82 1qpb n HIS 225 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1qpb n ASP 226 N -1.27 -1.72 -0.58 0.41 2.03 -1.26 -4.87 116.55 109.29 1qpb n ASP 226 Ca 0.18 -0.89 0.02 0.00 0.52 0.00 0.00 54.79 54.62 1qpb n ASP 226 Cb 0.69 -3.60 0.03 0.00 -0.72 0.00 0.00 41.12 37.53 1qpb n ASP 226 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1qpb n VAL 227 N -4.40 0.39 -0.15 5.18 3.14 -1.26 -4.88 118.33 116.35 1qpb n VAL 227 Ca -0.21 -0.64 -0.07 0.00 -2.96 0.00 0.00 64.34 60.45 1qpb n VAL 227 Cb 0.64 0.42 0.01 0.00 -1.06 0.00 0.00 33.84 33.86 1qpb n VAL 227 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1qpb h LYS 228 N 0.19 0.56 0.71 1.45 1.79 -1.88 -2.59 116.57 116.80 1qpb h LYS 228 Ca -0.03 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1qpb h LYS 228 Cb 1.39 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1qpb h LYS 228 CO 0.01 0.37 -0.34 0.00 -1.08 0.00 0.00 179.45 178.41 1qpb h ALA 229 N 1.18 -1.20 -0.95 3.86 0.00 -1.96 -1.58 119.26 118.62 1qpb h ALA 229 Ca 0.17 -0.21 0.39 0.00 0.00 0.00 0.00 54.91 55.26 1qpb h ALA 229 Cb -0.04 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 17.95 1qpb h ALA 229 CO -0.05 -1.13 0.50 0.39 0.00 0.00 0.00 179.25 178.96 1qpb n GLU 230 N -4.70 -0.06 -0.00 0.00 4.71 -1.20 0.67 120.64 120.05 1qpb n GLU 230 Ca -0.12 1.31 -0.18 0.00 -0.01 0.00 0.00 57.16 58.16 1qpb n GLU 230 Cb 0.38 -2.34 -0.08 0.00 -1.01 0.00 0.00 31.44 28.38 1qpb n GLU 230 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1qpb h THR 231 N 0.00 1.28 -0.19 2.62 2.02 -1.26 -1.87 112.91 115.51 1qpb h THR 231 Ca 0.80 -2.05 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1qpb h THR 231 Cb 2.11 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 70.61 1qpb h THR 231 CO -0.73 0.65 -0.25 0.11 0.37 0.00 0.00 175.52 175.66 1qpb h LYS 232 N 0.49 0.36 -0.19 6.66 6.56 0.13 -2.76 116.57 127.81 1qpb h LYS 232 Ca -0.08 -0.13 -0.06 0.00 -1.06 0.00 0.00 60.65 59.33 1qpb h LYS 232 Cb 1.50 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 33.13 1qpb h LYS 232 CO 0.17 0.59 -0.11 -0.22 -2.06 0.00 0.00 179.45 177.82 1qpb h LYS 233 N 0.32 0.42 -0.80 3.15 3.64 -0.84 -2.75 116.57 119.71 1qpb h LYS 233 Ca 0.05 -0.19 0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1qpb h LYS 233 Cb 0.62 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1qpb h LYS 233 CO 0.04 0.73 0.45 1.25 -2.27 0.00 0.00 179.45 179.65 1qpb h LEU 234 N 0.11 0.64 -0.58 5.20 5.85 -1.18 0.25 115.31 125.60 1qpb h LEU 234 Ca 0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1qpb h LEU 234 Cb 0.61 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1qpb h LEU 234 CO 0.03 0.37 0.28 0.40 -0.34 0.00 0.00 178.44 179.18 1qpb h ILE 235 N 0.76 1.21 0.48 4.05 2.04 -1.45 -2.28 117.51 122.31 1qpb h ILE 235 Ca 0.38 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1qpb h ILE 235 Cb 0.35 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1qpb h ILE 235 CO -0.25 0.23 -0.23 0.44 0.00 0.00 0.00 178.15 178.35 1qpb h ASP 236 N 0.78 -0.54 -1.01 1.72 3.32 -1.01 0.13 116.42 119.80 1qpb h ASP 236 Ca 0.20 0.02 0.25 0.00 0.02 0.00 0.00 57.03 57.52 1qpb h ASP 236 Cb 0.11 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.72 1qpb h ASP 236 CO -0.03 -0.24 0.65 -0.07 -1.72 0.00 0.00 179.24 177.84 1qpb h LEU 237 N -0.94 0.46 0.04 1.55 4.07 -1.05 -2.92 115.31 116.51 1qpb h LEU 237 Ca -0.07 0.08 -0.31 0.00 0.08 0.00 0.00 57.88 57.66 1qpb h LEU 237 Cb 0.49 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 1qpb h LEU 237 CO 0.11 0.11 -1.69 0.35 -1.08 0.00 0.00 178.44 176.25 1qpb n THR 238 N -4.61 1.60 -1.06 0.22 -2.24 -0.86 -4.88 114.28 102.46 1qpb n THR 238 Ca 0.24 -0.27 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 1qpb n THR 238 Cb 0.82 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.14 1qpb n THR 238 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpb n GLN 239 N -4.09 -0.27 -1.21 -0.78 1.13 0.44 -5.00 117.38 107.61 1qpb n GLN 239 Ca -0.36 0.39 -0.30 0.00 -1.94 0.00 0.00 57.00 54.80 1qpb n GLN 239 Cb 0.82 -3.87 0.13 0.00 0.11 0.00 0.00 30.24 27.44 1qpb n GLN 239 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1qpb s PHE 240 N -2.01 2.34 0.13 1.08 0.08 -1.26 -4.79 117.98 113.55 1qpb s PHE 240 Ca 0.00 1.27 -0.31 0.00 0.12 0.00 0.00 56.93 58.02 1qpb s PHE 240 Cb 0.00 -3.15 -0.08 0.00 -0.57 0.00 0.00 43.02 39.22 1qpb s PHE 240 CO 0.00 -2.35 1.30 -2.14 -0.10 0.00 0.00 175.22 171.93 1qpb s PRO 241 N -4.93 4.38 -0.10 0.24 0.02 -1.26 -4.77 135.00 128.59 1qpb s PRO 241 Ca 0.63 1.97 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 1qpb s PRO 241 Cb -0.18 -3.26 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 1qpb s PRO 241 CO 0.57 -0.31 -0.07 0.00 -0.33 0.00 0.00 177.00 176.86 1qpb s ALA 242 N 0.72 2.94 0.08 -1.55 0.00 0.01 -0.04 121.76 123.91 1qpb s ALA 242 Ca 0.60 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1qpb s ALA 242 Cb -0.34 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1qpb s ALA 242 CO 0.33 0.45 -0.08 -0.06 0.00 0.00 0.00 175.76 176.40 1qpb s PHE 243 N -0.38 0.83 0.35 0.00 0.40 -0.05 0.81 117.98 119.95 1qpb s PHE 243 Ca 0.05 -0.71 0.09 0.00 -0.60 0.00 0.00 56.93 55.76 1qpb s PHE 243 Cb -0.12 -0.48 -0.06 0.00 0.51 0.00 0.00 43.02 42.86 1qpb s PHE 243 CO 0.02 -0.10 -0.03 0.14 0.70 0.00 0.00 175.22 175.96 1qpb s VAL 244 N -2.55 2.36 0.25 -0.44 -7.23 -0.15 -1.00 120.40 111.63 1qpb s VAL 244 Ca 0.02 -2.06 0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1qpb s VAL 244 Cb -0.02 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1qpb s VAL 244 CO -0.02 -0.16 0.15 0.42 -0.31 0.00 0.00 175.10 175.18 1qpb s THR 245 N -2.59 4.23 0.60 5.32 -4.23 -1.12 0.24 115.64 118.10 1qpb s THR 245 Ca 0.34 -1.50 0.28 0.00 -1.18 0.00 0.00 61.69 59.63 1qpb s THR 245 Cb 0.03 -3.28 0.36 0.00 1.34 0.00 0.00 72.50 70.95 1qpb s THR 245 CO 0.18 -0.35 1.84 1.55 -0.54 0.00 0.00 174.62 177.31 1qpb h PRO 246 N 1.61 0.00 0.00 3.99 0.13 -1.94 1.07 132.00 136.86 1qpb h PRO 246 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1qpb h PRO 246 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1qpb h PRO 246 CO 0.61 0.00 -1.18 0.52 -0.23 0.00 0.00 178.00 177.72 1qpb h MET 247 N 0.00 0.00 0.00 0.86 2.86 -1.93 -3.34 114.93 113.39 1qpb h MET 247 Ca 0.20 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1qpb h MET 247 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1qpb h MET 247 CO -0.00 0.30 -0.72 0.78 1.06 0.00 0.00 176.91 178.33 1qpb h GLY 248 N 3.70 0.00 -5.75 8.32 0.00 0.76 -3.34 103.07 106.75 1qpb h GLY 248 Ca -0.11 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.53 1qpb h GLY 248 CO 0.05 0.00 0.73 1.17 0.00 0.00 0.00 176.54 178.49 1qpb n LYS 249 N -2.92 1.39 0.00 4.80 4.81 0.10 -1.50 118.16 124.84 1qpb n LYS 249 Ca -0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1qpb n LYS 249 Cb 0.63 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1qpb n LYS 249 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qpb n GLY 250 N 3.46 2.60 0.84 3.14 0.00 -1.26 -4.39 105.19 109.58 1qpb n GLY 250 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1qpb n GLY 250 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qpb n SER 251 N 0.00 2.58 -4.06 1.61 3.41 -0.56 -4.45 113.62 112.16 1qpb n SER 251 Ca 0.00 -1.85 -0.21 0.00 -0.26 0.00 0.00 58.87 56.55 1qpb n SER 251 Cb 0.00 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.76 1qpb n SER 251 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1qpb s ILE 252 N -1.91 0.94 -0.68 -1.33 -1.09 -1.26 -4.91 121.20 110.96 1qpb s ILE 252 Ca 0.32 -0.49 -0.26 0.00 -2.23 0.00 0.00 60.65 58.00 1qpb s ILE 252 Cb 0.20 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 40.26 1qpb s ILE 252 CO 0.31 0.27 1.90 -0.62 -1.23 0.00 0.00 174.94 175.57 1qpb s ASP 253 N -0.14 5.20 0.00 3.58 2.15 -1.26 -4.85 116.67 121.35 1qpb s ASP 253 Ca 0.02 0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.15 1qpb s ASP 253 Cb -0.06 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.18 1qpb s ASP 253 CO -0.00 -2.49 0.91 -0.62 -0.17 0.00 0.00 175.17 172.80 1qpb n GLU 254 N 9.10 0.04 -0.65 4.34 1.02 -1.26 -1.48 120.64 131.75 1qpb n GLU 254 Ca 0.26 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.74 1qpb n GLU 254 Cb 0.51 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.79 1qpb n GLU 254 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1qpb n GLN 255 N -1.28 3.92 -2.94 3.49 1.13 -1.26 -4.90 117.38 115.52 1qpb n GLN 255 Ca 0.01 -2.93 -0.40 0.00 -1.94 0.00 0.00 57.00 51.75 1qpb n GLN 255 Cb 0.02 -1.95 -0.06 0.00 0.11 0.00 0.00 30.24 28.37 1qpb n GLN 255 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1qpb s HIS 256 N -2.03 3.88 0.61 1.08 2.46 -0.55 -4.96 115.29 115.78 1qpb s HIS 256 Ca 0.51 1.64 0.29 0.00 0.47 0.00 0.00 55.06 57.97 1qpb s HIS 256 Cb 0.34 -2.82 1.50 0.00 -0.13 0.00 0.00 32.58 31.48 1qpb s HIS 256 CO 0.22 0.45 1.90 -1.35 -2.47 0.00 0.00 174.74 173.49 1qpb h PRO 257 N 4.63 0.00 -0.38 2.88 0.11 -1.92 -2.14 132.00 135.19 1qpb h PRO 257 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1qpb h PRO 257 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1qpb h PRO 257 CO 0.67 0.00 0.04 0.54 -0.21 0.00 0.00 178.00 179.04 1qpb n ARG 258 N -3.48 2.84 -2.94 1.05 5.12 -1.26 -4.95 116.66 113.05 1qpb n ARG 258 Ca 0.05 -2.98 -0.41 0.00 -1.93 0.00 0.00 57.85 52.58 1qpb n ARG 258 Cb 0.58 -1.92 -0.05 0.00 -1.16 0.00 0.00 32.46 29.92 1qpb n ARG 258 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1qpb s TYR 259 N -2.96 3.31 -0.02 -1.55 5.04 -0.81 -0.81 117.35 119.55 1qpb s TYR 259 Ca 0.45 1.08 0.02 0.00 -2.44 0.00 0.00 57.07 56.18 1qpb s TYR 259 Cb 0.38 -3.00 -0.25 0.00 0.35 0.00 0.00 41.96 39.43 1qpb s TYR 259 CO 0.08 -0.37 0.74 0.78 -1.34 0.00 0.00 175.55 175.43 1qpb h GLY 260 N 9.07 0.17 0.00 8.97 0.00 0.11 -3.45 103.07 117.94 1qpb h GLY 260 Ca -0.24 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1qpb h GLY 260 CO 0.85 0.38 0.00 0.61 0.00 0.00 0.00 176.54 178.38 1qpb n GLY 261 N 1.66 0.84 3.38 4.60 0.00 -1.25 -4.62 105.19 109.80 1qpb n GLY 261 Ca -0.18 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1qpb n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpb s VAL 262 N -3.01 4.39 -0.49 1.61 1.01 -1.26 -0.98 120.40 121.67 1qpb s VAL 262 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1qpb s VAL 262 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1qpb s VAL 262 CO 0.00 -0.06 0.82 -0.47 0.00 0.00 0.00 175.10 175.39 1qpb s TYR 263 N 1.55 2.93 -0.24 5.22 5.04 0.14 -4.68 117.35 127.30 1qpb s TYR 263 Ca 0.03 0.02 0.10 0.00 -2.44 0.00 0.00 57.07 54.78 1qpb s TYR 263 Cb -0.18 -3.80 0.44 0.00 0.35 0.00 0.00 41.96 38.77 1qpb s TYR 263 CO 0.05 -1.12 1.20 1.33 -1.34 0.00 0.00 175.55 175.67 1qpb n VAL 264 N 6.10 2.25 0.00 3.14 0.24 -1.26 -4.32 118.33 124.49 1qpb n VAL 264 Ca 0.01 -3.60 0.00 0.00 -2.04 0.00 0.00 64.34 58.71 1qpb n VAL 264 Cb 0.48 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1qpb n VAL 264 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qpb n GLY 265 N -0.87 3.14 0.06 7.63 0.00 -1.26 -2.39 105.19 111.50 1qpb n GLY 265 Ca 0.29 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.42 1qpb n GLY 265 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qpb n THR 266 N 0.00 0.53 1.27 2.61 -2.24 -1.26 -2.37 114.28 112.82 1qpb n THR 266 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1qpb n THR 266 Cb 0.00 -0.75 0.37 0.00 -2.10 0.00 0.00 70.33 67.85 1qpb n THR 266 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qpb n LEU 267 N -1.89 2.06 -4.73 3.22 4.77 -1.00 -4.93 117.00 114.49 1qpb n LEU 267 Ca 0.05 -0.71 -0.29 0.00 -0.03 0.00 0.00 56.01 55.03 1qpb n LEU 267 Cb 0.32 -0.02 0.15 0.00 -2.33 0.00 0.00 43.42 41.54 1qpb n LEU 267 CO 0.24 0.36 0.68 -0.44 -1.33 0.00 0.00 177.39 176.90 1qpb s SER 268 N -1.94 3.19 0.15 -1.43 0.01 -1.00 -4.77 113.70 107.90 1qpb s SER 268 Ca 0.34 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.44 1qpb s SER 268 Cb 0.20 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 1qpb s SER 268 CO 0.32 -2.77 1.05 -0.54 0.41 0.00 0.00 173.24 171.70 1qpb s LYS 269 N -5.10 4.63 0.32 12.44 1.02 -1.26 -4.76 119.74 127.03 1qpb s LYS 269 Ca 0.64 1.61 0.09 0.00 0.02 0.00 0.00 55.97 58.33 1qpb s LYS 269 Cb -0.17 -3.32 0.95 0.00 -0.52 0.00 0.00 37.83 34.77 1qpb s LYS 269 CO 0.56 0.12 1.61 -1.35 -0.92 0.00 0.00 175.35 175.37 1qpb h PRO 270 N 5.37 0.10 -0.28 -1.68 0.11 -1.96 1.09 132.00 134.75 1qpb h PRO 270 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1qpb h PRO 270 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1qpb h PRO 270 CO 0.73 0.07 -0.00 1.05 -0.21 0.00 0.00 178.00 179.63 1qpb h GLU 271 N 0.11 0.50 -0.38 1.05 9.09 -1.99 0.84 114.58 123.80 1qpb h GLU 271 Ca 0.67 -0.16 -0.02 0.00 0.05 0.00 0.00 59.36 59.91 1qpb h GLU 271 Cb 1.54 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.57 1qpb h GLU 271 CO -0.76 0.66 0.18 0.28 0.05 0.00 0.00 179.01 179.41 1qpb h VAL 272 N 0.28 1.17 -0.50 -1.06 2.07 -0.10 -1.40 116.25 116.72 1qpb h VAL 272 Ca 0.08 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1qpb h VAL 272 Cb 0.43 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qpb h VAL 272 CO 0.02 0.19 0.26 0.50 0.02 0.00 0.00 177.57 178.55 1qpb h LYS 273 N 0.48 0.70 -0.99 1.57 3.64 0.95 -2.71 116.57 120.22 1qpb h LYS 273 Ca 0.13 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1qpb h LYS 273 Cb 0.13 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1qpb h LYS 273 CO -0.02 0.57 0.65 0.93 -2.27 0.00 0.00 179.45 179.32 1qpb h GLU 274 N 0.66 1.27 0.69 1.90 3.07 -0.54 -2.57 114.58 119.06 1qpb h GLU 274 Ca 0.17 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1qpb h GLU 274 Cb 0.09 -0.29 0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1qpb h GLU 274 CO -0.02 0.84 -0.33 0.00 -1.40 0.00 0.00 179.01 178.09 1qpb h ALA 275 N 1.37 -1.11 -0.40 3.43 0.00 -0.96 -1.92 119.26 119.67 1qpb h ALA 275 Ca 0.37 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1qpb h ALA 275 Cb -0.11 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1qpb h ALA 275 CO -0.09 -1.04 -0.00 0.28 0.00 0.00 0.00 179.25 178.39 1qpb h VAL 276 N -1.04 0.69 0.00 0.00 2.07 -1.51 -2.04 116.25 114.42 1qpb h VAL 276 Ca -0.09 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1qpb h VAL 276 Cb 0.71 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1qpb h VAL 276 CO 0.16 0.02 -0.24 -0.33 0.02 0.00 0.00 177.57 177.19 1qpb h GLU 277 N 0.10 0.00 -0.00 1.57 5.08 -1.54 -2.51 114.58 117.28 1qpb h GLU 277 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1qpb h GLU 277 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1qpb h GLU 277 CO -0.33 0.24 -0.11 -1.13 -1.00 0.00 0.00 179.01 176.68 1qpb n SER 278 N -3.65 0.26 -4.78 1.42 3.41 -0.72 -4.86 113.62 104.69 1qpb n SER 278 Ca -0.01 -0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.06 1qpb n SER 278 Cb 0.37 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1qpb n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpb s ALA 279 N -2.68 2.79 -2.07 7.33 0.00 -0.95 -4.93 121.76 121.26 1qpb s ALA 279 Ca 0.23 0.73 0.17 0.00 0.00 0.00 0.00 51.96 53.09 1qpb s ALA 279 Cb 0.20 -3.31 0.19 0.00 0.00 0.00 0.00 23.12 20.20 1qpb s ALA 279 CO 0.51 -0.54 1.11 -0.40 0.00 0.00 0.00 175.76 176.44 1qpb n ASP 280 N -1.10 2.61 -3.70 0.00 5.75 -0.71 -4.92 116.55 114.49 1qpb n ASP 280 Ca 0.10 -1.77 -0.13 0.00 -0.01 0.00 0.00 54.79 52.99 1qpb n ASP 280 Cb 0.52 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.46 1qpb n ASP 280 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qpb s LEU 281 N -1.38 0.00 -0.09 -2.12 2.96 -1.25 -4.86 118.68 111.94 1qpb s LEU 281 Ca 0.23 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1qpb s LEU 281 Cb 0.15 1.70 0.02 0.00 0.50 0.00 0.00 46.19 48.57 1qpb s LEU 281 CO 0.22 -0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.38 1qpb s ILE 282 N 0.51 0.84 -0.84 6.68 1.01 -1.22 -2.92 121.20 125.26 1qpb s ILE 282 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1qpb s ILE 282 Cb -0.04 -0.87 0.21 0.00 0.01 0.00 0.00 42.46 41.77 1qpb s ILE 282 CO -0.02 0.32 0.74 -0.76 0.00 0.00 0.00 174.94 175.22 1qpb s LEU 283 N 1.49 5.90 -0.51 2.97 1.43 -0.91 -1.05 118.68 128.00 1qpb s LEU 283 Ca -0.00 -3.20 -0.28 0.00 -1.03 0.00 0.00 54.13 49.61 1qpb s LEU 283 Cb -0.13 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1qpb s LEU 283 CO -0.05 -0.35 1.12 -0.55 0.23 0.00 0.00 176.35 176.75 1qpb s SER 284 N 0.90 6.54 -0.03 2.29 0.15 -0.58 -2.12 113.70 120.85 1qpb s SER 284 Ca 0.23 0.26 -0.16 0.00 0.70 0.00 0.00 55.95 56.97 1qpb s SER 284 Cb -0.12 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1qpb s SER 284 CO -0.08 -1.30 0.45 -0.69 1.20 0.00 0.00 173.24 172.82 1qpb s VAL 285 N 4.50 5.04 -0.57 4.45 1.01 -0.33 -1.80 120.40 132.69 1qpb s VAL 285 Ca 0.44 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1qpb s VAL 285 Cb -0.08 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1qpb s VAL 285 CO 0.28 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.49 1qpb n GLY 286 N 2.26 0.79 3.35 4.51 0.00 -0.56 -0.21 105.19 115.33 1qpb n GLY 286 Ca -0.11 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 1qpb n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpb n ALA 287 N 1.10 -2.90 0.00 4.61 0.00 -1.11 -1.84 120.51 120.36 1qpb n ALA 287 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1qpb n ALA 287 Cb 0.19 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1qpb n ALA 287 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1qpb n LEU 288 N 2.07 0.00 0.00 0.00 7.94 -1.26 -4.78 117.00 120.98 1qpb n LEU 288 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1qpb n LEU 288 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 1qpb n LEU 288 CO 0.55 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 177.01 1qpb n LEU 289 N -0.10 0.25 0.00 -1.96 4.77 -1.26 -4.95 117.00 113.75 1qpb n LEU 289 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1qpb n LEU 289 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1qpb n LEU 289 CO 0.00 -0.09 0.00 -1.20 -1.33 0.00 0.00 177.39 174.77 1qpb n SER 290 N -1.59 0.00 -3.92 -1.43 7.64 -1.26 -4.79 113.62 108.27 1qpb n SER 290 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1qpb n SER 290 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1qpb n SER 290 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1qpb s ASP 291 N 0.00 1.03 -0.17 6.43 -4.77 -1.25 -4.06 116.67 113.89 1qpb s ASP 291 Ca 0.00 -0.15 -0.04 0.00 -3.30 0.00 0.00 52.55 49.06 1qpb s ASP 291 Cb 0.00 -0.46 0.08 0.00 -1.09 0.00 0.00 42.92 41.45 1qpb s ASP 291 CO 0.00 -0.02 0.22 -0.36 0.70 0.00 0.00 175.17 175.70 1qpb s PHE 292 N 0.75 -0.28 0.02 2.11 0.40 0.34 -4.93 117.98 116.38 1qpb s PHE 292 Ca -0.11 0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 1qpb s PHE 292 Cb -0.14 -0.29 -0.01 0.00 0.51 0.00 0.00 43.02 43.09 1qpb s PHE 292 CO 0.01 -0.50 -0.07 0.27 0.70 0.00 0.00 175.22 175.62 1qpb n ASN 293 N 5.33 1.01 -4.42 1.36 6.94 -1.24 -2.30 115.26 121.94 1qpb n ASN 293 Ca -0.05 0.14 -0.43 0.00 -0.02 0.00 0.00 54.58 54.22 1qpb n ASN 293 Cb 0.50 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1qpb n ASN 293 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1qpb n THR 294 N -3.45 4.05 0.00 5.53 -1.04 -1.26 -4.62 114.28 113.49 1qpb n THR 294 Ca -0.03 -4.27 0.00 0.00 -2.04 0.00 0.00 64.05 57.71 1qpb n THR 294 Cb 0.11 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.20 1qpb n THR 294 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qpb n GLY 295 N 4.62 4.13 5.46 3.41 0.00 -1.26 -5.02 105.19 116.53 1qpb n GLY 295 Ca 0.44 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1qpb n GLY 295 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qpb n SER 296 N 0.00 0.00 -0.89 1.61 3.41 -1.26 -4.57 113.62 111.92 1qpb n SER 296 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qpb n SER 296 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qpb n SER 296 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1qpb n PHE 297 N 0.00 -0.22 -0.57 7.33 1.16 -1.26 -4.76 117.46 119.14 1qpb n PHE 297 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.66 1qpb n PHE 297 Cb 0.00 0.00 0.27 0.00 -1.61 0.00 0.00 39.48 38.14 1qpb n PHE 297 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1qpb n SER 298 N -2.23 3.99 -4.55 5.98 7.64 -1.21 -3.63 113.62 119.61 1qpb n SER 298 Ca 0.00 -2.43 -0.20 0.00 1.01 0.00 0.00 58.87 57.24 1qpb n SER 298 Cb 0.00 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 1qpb n SER 298 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qpb n TYR 299 N 0.58 1.11 0.00 1.43 9.36 -0.97 -4.08 117.16 124.58 1qpb n TYR 299 Ca 0.20 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1qpb n TYR 299 Cb 0.75 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1qpb n TYR 299 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1qpb n SER 300 N 16.73 0.00 0.00 2.98 7.64 -1.26 0.13 113.62 139.84 1qpb n SER 300 Ca 0.47 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1qpb n SER 300 Cb 0.42 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1qpb n SER 300 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qpb n TYR 301 N -1.75 0.00 -1.34 1.43 4.11 -1.26 -4.03 117.16 114.32 1qpb n TYR 301 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.98 1qpb n TYR 301 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 39.34 39.52 1qpb n TYR 301 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1qpb n LYS 302 N 0.65 1.44 -3.34 -3.48 5.02 -1.26 -5.02 118.16 112.17 1qpb n LYS 302 Ca 0.00 -2.95 -0.18 0.00 -2.02 0.00 0.00 58.31 53.16 1qpb n LYS 302 Cb 0.00 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1qpb n LYS 302 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1qpb n THR 303 N -1.28 -6.89 -2.76 -0.18 -1.04 -1.26 -4.84 114.28 96.04 1qpb n THR 303 Ca 0.18 0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.89 1qpb n THR 303 Cb 0.67 -5.04 -0.03 0.00 -1.82 0.00 0.00 70.33 64.11 1qpb n THR 303 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qpb s LYS 304 N -3.41 3.49 -0.46 -2.82 1.02 -1.26 -4.59 119.74 111.72 1qpb s LYS 304 Ca 0.13 -1.28 -0.27 0.00 0.02 0.00 0.00 55.97 54.57 1qpb s LYS 304 Cb -0.02 -4.91 0.04 0.00 -0.52 0.00 0.00 37.83 32.42 1qpb s LYS 304 CO 0.83 -1.96 0.64 -1.71 -0.92 0.00 0.00 175.35 172.22 1qpb n ASN 305 N 7.77 -6.62 -4.20 2.83 5.15 -1.26 -4.69 115.26 114.23 1qpb n ASN 305 Ca 0.21 0.13 -0.19 0.00 -0.60 0.00 0.00 54.58 54.13 1qpb n ASN 305 Cb 0.49 -3.39 -0.12 0.00 -0.53 0.00 0.00 39.78 36.24 1qpb n ASN 305 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qpb s ILE 306 N -2.05 1.26 -0.18 -1.44 1.01 -1.26 -3.43 121.20 115.10 1qpb s ILE 306 Ca 0.31 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.52 1qpb s ILE 306 Cb -0.05 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1qpb s ILE 306 CO 0.83 -0.23 -0.09 -0.69 0.00 0.00 0.00 174.94 174.77 1qpb s VAL 307 N -1.39 3.19 -0.33 2.92 1.01 -0.21 -2.41 120.40 123.18 1qpb s VAL 307 Ca 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1qpb s VAL 307 Cb -0.09 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.94 1qpb s VAL 307 CO 0.03 0.47 0.07 -1.61 0.00 0.00 0.00 175.10 174.06 1qpb s GLU 308 N 0.99 2.46 -0.31 2.72 2.02 0.61 -1.53 118.70 125.67 1qpb s GLU 308 Ca -0.01 -1.30 -0.22 0.00 0.02 0.00 0.00 54.97 53.46 1qpb s GLU 308 Cb -0.15 -3.35 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 1qpb s GLU 308 CO -0.01 -0.70 0.73 -0.06 0.02 0.00 0.00 175.26 175.25 1qpb s PHE 309 N 1.31 3.20 0.38 1.61 0.40 -0.75 -2.30 117.98 121.83 1qpb s PHE 309 Ca -0.02 0.70 0.08 0.00 -0.60 0.00 0.00 56.93 57.09 1qpb s PHE 309 Cb -0.20 -3.16 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 1qpb s PHE 309 CO 0.00 -0.55 0.12 -1.01 0.70 0.00 0.00 175.22 174.48 1qpb s HIS 310 N 2.84 2.60 0.48 0.36 3.76 -0.79 -1.50 115.29 123.04 1qpb s HIS 310 Ca 0.30 -0.52 0.13 0.00 -0.15 0.00 0.00 55.06 54.81 1qpb s HIS 310 Cb -0.14 -1.78 1.11 0.00 1.11 0.00 0.00 32.58 32.87 1qpb s HIS 310 CO 0.13 0.30 2.11 0.66 -0.85 0.00 0.00 174.74 177.09 1qpb h SER 311 N 1.56 0.19 0.00 1.40 4.64 -1.90 -1.50 113.55 117.93 1qpb h SER 311 Ca -0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1qpb h SER 311 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1qpb h SER 311 CO 0.69 0.14 -0.30 -0.90 -0.87 0.00 0.00 176.83 175.58 1qpb n ASP 312 N -4.51 1.49 -4.07 4.97 5.75 -1.26 -4.06 116.55 114.86 1qpb n ASP 312 Ca -0.00 -0.25 -0.10 0.00 -0.01 0.00 0.00 54.79 54.43 1qpb n ASP 312 Cb 0.08 0.79 -0.08 0.00 -1.03 0.00 0.00 41.12 40.88 1qpb n ASP 312 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1qpb s HIS 313 N -1.09 0.69 0.05 2.11 -3.43 -1.10 -1.52 115.29 110.99 1qpb s HIS 313 Ca 0.00 -1.03 0.06 0.00 -0.80 0.00 0.00 55.06 53.28 1qpb s HIS 313 Cb 0.00 -0.28 -0.03 0.00 -1.43 0.00 0.00 32.58 30.84 1qpb s HIS 313 CO 0.00 -0.65 -0.11 -1.64 -2.00 0.00 0.00 174.74 170.34 1qpb s MET 314 N -4.03 2.27 -0.27 -0.38 -1.94 -0.66 -1.88 119.30 112.41 1qpb s MET 314 Ca 0.23 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.28 1qpb s MET 314 Cb 0.05 -2.34 0.09 0.00 2.01 0.00 0.00 34.83 34.64 1qpb s MET 314 CO 0.03 0.55 0.12 0.21 -0.01 0.00 0.00 175.02 175.92 1qpb s LYS 315 N -1.66 0.20 -0.37 2.03 2.47 -0.97 -0.85 119.74 120.59 1qpb s LYS 315 Ca 0.18 -0.48 -0.02 0.00 -1.56 0.00 0.00 55.97 54.08 1qpb s LYS 315 Cb -0.11 -1.33 0.09 0.00 -1.46 0.00 0.00 37.83 35.01 1qpb s LYS 315 CO 0.09 -0.95 0.13 0.42 0.16 0.00 0.00 175.35 175.19 1qpb s ILE 316 N 2.08 3.17 0.00 5.43 1.01 -0.93 -0.28 121.20 131.67 1qpb s ILE 316 Ca 0.08 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.91 1qpb s ILE 316 Cb -0.16 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1qpb s ILE 316 CO -0.31 -0.48 0.00 0.54 0.00 0.00 0.00 174.94 174.69 1qpb n ARG 317 N 4.60 0.00 -0.03 2.79 3.00 -1.01 -2.57 116.66 123.43 1qpb n ARG 317 Ca -0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.80 1qpb n ARG 317 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.77 1qpb n ARG 317 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1qpb n ASN 318 N 10.06 1.66 -4.77 0.55 3.02 -1.26 -4.93 115.26 119.58 1qpb n ASN 318 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1qpb n ASN 318 Cb 0.00 1.33 -0.01 0.00 -0.61 0.00 0.00 39.78 40.49 1qpb n ASN 318 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qpb s ALA 319 N -2.74 3.46 -0.02 5.41 0.00 -1.06 -5.02 121.76 121.79 1qpb s ALA 319 Ca -0.06 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.33 1qpb s ALA 319 Cb 0.07 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1qpb s ALA 319 CO 0.59 -0.85 -0.20 0.99 0.00 0.00 0.00 175.76 176.29 1qpb s THR 320 N -1.16 1.56 -0.47 0.00 2.01 -1.26 -2.20 115.64 114.12 1qpb s THR 320 Ca 0.52 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1qpb s THR 320 Cb -0.42 -1.31 0.12 0.00 0.01 0.00 0.00 72.50 70.91 1qpb s THR 320 CO 0.56 0.44 0.23 -0.36 -0.69 0.00 0.00 174.62 174.80 1qpb s PHE 321 N -0.36 3.46 0.49 4.92 0.40 -0.03 -4.97 117.98 121.88 1qpb s PHE 321 Ca 0.05 -2.90 -0.23 0.00 -0.60 0.00 0.00 56.93 53.25 1qpb s PHE 321 Cb -0.09 -3.00 -0.07 0.00 0.51 0.00 0.00 43.02 40.38 1qpb s PHE 321 CO -0.00 -0.86 1.29 -1.25 0.70 0.00 0.00 175.22 175.09 1qpb s PRO 322 N 0.34 3.53 0.00 0.24 0.04 -1.26 -1.65 135.00 136.23 1qpb s PRO 322 Ca 0.14 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1qpb s PRO 322 Cb -0.22 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1qpb s PRO 322 CO -0.04 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1qpb n GLY 323 N 0.61 2.59 3.57 0.56 0.00 -0.57 -4.94 105.19 107.01 1qpb n GLY 323 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1qpb n GLY 323 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpb s VAL 324 N -0.52 3.39 -0.16 1.61 1.01 -1.07 -4.76 120.40 119.90 1qpb s VAL 324 Ca 0.00 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 1qpb s VAL 324 Cb 0.00 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1qpb s VAL 324 CO 0.00 -0.71 0.90 -1.10 0.00 0.00 0.00 175.10 174.19 1qpb s GLN 325 N 6.63 4.32 0.50 2.72 -0.21 -1.26 -2.71 119.66 129.64 1qpb s GLN 325 Ca 0.72 1.15 0.37 0.00 0.02 0.00 0.00 55.36 57.62 1qpb s GLN 325 Cb -0.16 -3.58 1.53 0.00 1.00 0.00 0.00 33.01 31.81 1qpb s GLN 325 CO 0.25 -0.37 1.65 0.00 -2.12 0.00 0.00 175.29 174.71 1qpb h MET 326 N 7.30 0.06 0.00 2.91 -0.00 -1.41 -2.63 114.93 121.16 1qpb h MET 326 Ca -0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1qpb h MET 326 Cb 1.12 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 1qpb h MET 326 CO 0.86 0.04 0.00 1.17 -0.00 0.00 0.00 176.91 178.98 1qpb n LYS 327 N -4.34 0.00 0.10 -0.10 4.81 -1.26 -0.19 118.16 117.17 1qpb n LYS 327 Ca 0.36 0.12 0.20 0.00 -0.87 0.00 0.00 58.31 58.12 1qpb n LYS 327 Cb 1.55 -1.08 0.71 0.00 0.02 0.00 0.00 35.03 36.24 1qpb n LYS 327 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1qpb h PHE 328 N 0.00 0.00 0.41 5.64 0.04 -1.97 -0.40 116.94 120.66 1qpb h PHE 328 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1qpb h PHE 328 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1qpb h PHE 328 CO 0.05 0.00 -0.20 0.28 -0.60 0.00 0.00 178.31 177.84 1qpb h VAL 329 N 0.00 0.02 -1.06 -0.55 2.07 -1.42 -2.07 116.25 113.24 1qpb h VAL 329 Ca 0.20 -0.60 0.34 0.00 0.82 0.00 0.00 66.70 67.46 1qpb h VAL 329 Cb 1.22 0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 30.88 1qpb h VAL 329 CO -0.00 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.14 1qpb h LEU 330 N -1.14 0.45 0.62 2.57 4.07 1.00 0.59 115.31 123.46 1qpb h LEU 330 Ca -0.06 0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1qpb h LEU 330 Cb 0.43 0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.31 1qpb h LEU 330 CO 0.09 -0.15 -0.30 1.56 -1.08 0.00 0.00 178.44 178.57 1qpb h GLN 331 N 0.27 -0.80 -0.00 1.13 4.20 -1.16 0.11 115.11 118.85 1qpb h GLN 331 Ca 0.75 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.51 1qpb h GLN 331 Cb 1.85 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.81 1qpb h GLN 331 CO -0.56 -0.48 0.00 0.87 -0.67 0.00 0.00 178.83 177.99 1qpb h LYS 332 N -1.07 0.00 0.00 1.46 1.79 -0.21 0.93 116.57 119.48 1qpb h LYS 332 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1qpb h LYS 332 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1qpb h LYS 332 CO 0.14 0.00 -0.05 1.25 -1.08 0.00 0.00 179.45 179.71 1qpb h LEU 333 N 0.00 0.00 -0.03 2.94 7.12 0.22 -3.29 115.31 122.27 1qpb h LEU 333 Ca 0.00 -0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.76 1qpb h LEU 333 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.14 1qpb h LEU 333 CO -0.00 0.00 -1.09 -0.07 -0.13 0.00 0.00 178.44 177.15 1qpb h LEU 334 N 0.00 0.52 -0.57 2.25 3.38 0.13 -2.85 115.31 118.16 1qpb h LEU 334 Ca 0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1qpb h LEU 334 Cb 0.97 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1qpb h LEU 334 CO 0.00 1.31 0.23 0.71 0.09 0.00 0.00 178.44 180.78 1qpb h THR 335 N 0.17 1.23 0.00 0.22 1.35 -1.58 -3.05 112.91 111.24 1qpb h THR 335 Ca -0.11 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1qpb h THR 335 Cb 1.77 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1qpb h THR 335 CO 0.19 0.27 -0.31 0.00 -0.25 0.00 0.00 175.52 175.42 1qpb n ALA 336 N -2.36 3.04 0.25 6.62 0.00 -1.25 -3.85 120.51 122.96 1qpb n ALA 336 Ca 0.03 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1qpb n ALA 336 Cb 0.16 -1.26 0.58 0.00 0.00 0.00 0.00 19.45 18.93 1qpb n ALA 336 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1qpb h ILE 337 N 0.00 0.40 0.21 0.00 2.10 -1.38 -3.33 117.51 115.51 1qpb h ILE 337 Ca 0.00 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 65.10 1qpb h ILE 337 Cb 0.52 1.62 -0.04 0.00 -1.09 0.00 0.00 36.82 37.83 1qpb h ILE 337 CO 0.00 0.14 -0.47 0.00 -1.08 0.00 0.00 178.15 176.74 1qpb h ALA 338 N 1.86 -1.01 0.36 0.18 0.00 -1.70 -2.86 119.26 116.09 1qpb h ALA 338 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1qpb h ALA 338 Cb 0.60 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1qpb h ALA 338 CO 0.02 -1.10 -0.17 -0.44 0.00 0.00 0.00 179.25 177.56 1qpb h ASP 339 N -0.75 -0.41 0.00 0.00 5.19 -1.86 -2.66 116.42 115.94 1qpb h ASP 339 Ca -0.02 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1qpb h ASP 339 Cb 0.72 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1qpb h ASP 339 CO -0.20 -0.25 0.15 0.00 -3.12 0.00 0.00 179.24 175.82 1qpb h ALA 340 N 0.10 1.13 0.00 3.45 0.00 -1.71 -1.11 119.26 121.11 1qpb h ALA 340 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qpb h ALA 340 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qpb h ALA 340 CO 0.08 -0.13 -0.95 0.00 0.00 0.00 0.00 179.25 178.26 1qpb n ALA 341 N -1.85 4.13 -0.29 0.00 0.00 -1.08 -4.73 120.51 116.69 1qpb n ALA 341 Ca -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1qpb n ALA 341 Cb 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.02 1qpb n ALA 341 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qpb n LYS 342 N -1.50 -0.20 -1.53 0.00 4.81 -0.42 -1.25 118.16 118.07 1qpb n LYS 342 Ca 0.03 1.15 -0.36 0.00 -0.87 0.00 0.00 58.31 58.26 1qpb n LYS 342 Cb 0.30 -1.71 0.06 0.00 0.02 0.00 0.00 35.03 33.69 1qpb n LYS 342 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qpb n GLY 343 N -1.33 5.59 3.76 3.14 0.00 -1.26 -4.99 105.19 110.10 1qpb n GLY 343 Ca 0.07 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 1qpb n GLY 343 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qpb s TYR 344 N -3.73 3.85 -0.54 1.61 5.04 -0.38 -5.04 117.35 118.16 1qpb s TYR 344 Ca 0.58 1.62 -0.14 0.00 -2.44 0.00 0.00 57.07 56.69 1qpb s TYR 344 Cb 0.47 -2.83 0.13 0.00 0.35 0.00 0.00 41.96 40.08 1qpb s TYR 344 CO -0.17 0.40 0.47 -1.59 -1.34 0.00 0.00 175.55 173.32 1qpb s LYS 345 N -0.68 2.86 -0.50 4.97 0.00 -1.26 -5.04 119.74 120.10 1qpb s LYS 345 Ca 0.38 -1.79 -0.46 0.00 0.00 0.00 0.00 55.97 54.11 1qpb s LYS 345 Cb -0.22 -4.19 -0.20 0.00 0.00 0.00 0.00 37.83 33.22 1qpb s LYS 345 CO 0.26 -1.28 1.74 -2.30 0.00 0.00 0.00 175.35 173.76 1qpb n PRO 346 N 5.04 0.00 -2.98 1.78 -0.02 -1.26 -4.91 135.00 132.65 1qpb n PRO 346 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.97 1qpb n PRO 346 Cb 0.41 -1.49 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 1qpb n PRO 346 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qpb s VAL 347 N 3.82 4.92 0.13 -1.45 1.01 -1.26 -4.99 120.40 122.57 1qpb s VAL 347 Ca 1.08 1.42 -0.32 0.00 0.00 0.00 0.00 61.98 64.16 1qpb s VAL 347 Cb -1.49 -4.05 -0.18 0.00 0.00 0.00 0.00 36.38 30.66 1qpb s VAL 347 CO 0.77 0.01 0.73 0.00 0.00 0.00 0.00 175.10 176.62 1qpb n ALA 348 N 5.52 -3.08 -2.64 5.51 0.00 -1.26 -4.77 120.51 119.78 1qpb n ALA 348 Ca 0.03 0.50 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 1qpb n ALA 348 Cb 0.49 -1.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 1qpb n ALA 348 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qpb s VAL 349 N -0.63 3.72 0.08 0.00 1.01 -1.26 -5.06 120.40 118.25 1qpb s VAL 349 Ca 0.74 -0.47 -0.37 0.00 0.00 0.00 0.00 61.98 61.88 1qpb s VAL 349 Cb -1.05 -2.53 -0.17 0.00 0.00 0.00 0.00 36.38 32.63 1qpb s VAL 349 CO 0.56 0.59 1.35 -2.65 0.00 0.00 0.00 175.10 174.95 1qpb n PRO 350 N 2.40 1.15 -0.98 2.72 -0.02 -1.26 -4.95 135.00 134.07 1qpb n PRO 350 Ca -0.18 0.41 -0.28 0.00 -2.02 0.00 0.00 63.50 61.43 1qpb n PRO 350 Cb 0.53 -2.06 0.20 0.00 -0.02 0.00 0.00 33.50 32.15 1qpb n PRO 350 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qpb s ALA 351 N 0.56 0.47 0.58 3.55 0.00 -1.26 -4.75 121.76 120.92 1qpb s ALA 351 Ca 0.85 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 1qpb s ALA 351 Cb -0.96 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 1qpb s ALA 351 CO 0.47 -3.19 1.03 1.03 0.00 0.00 0.00 175.76 175.10 1qpb s ARG 352 N -4.81 3.54 0.11 0.00 1.81 -1.26 -5.01 118.95 113.33 1qpb s ARG 352 Ca 0.66 1.01 -0.30 0.00 -1.72 0.00 0.00 55.73 55.38 1qpb s ARG 352 Cb -0.21 -2.07 -0.06 0.00 -0.45 0.00 0.00 34.95 32.16 1qpb s ARG 352 CO 0.60 -0.62 1.06 0.99 -0.68 0.00 0.00 175.30 176.65 1qpb s THR 353 N -2.71 4.23 0.26 0.02 2.01 -1.26 -4.98 115.64 113.21 1qpb s THR 353 Ca 0.60 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 64.08 1qpb s THR 353 Cb -0.13 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 1qpb s THR 353 CO 0.40 0.24 1.41 -2.84 -0.69 0.00 0.00 174.62 173.14 1qpb s PRO 354 N 0.22 4.29 0.87 4.92 0.02 -1.26 -4.98 135.00 139.08 1qpb s PRO 354 Ca 0.51 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 1qpb s PRO 354 Cb -0.26 -3.11 0.12 0.00 0.02 0.00 0.00 34.50 31.26 1qpb s PRO 354 CO 0.31 -0.37 1.14 0.00 -0.33 0.00 0.00 177.00 177.75 1qpb n ALA 355 N 2.08 -0.56 -1.80 -1.55 0.00 -1.26 -4.91 120.51 112.51 1qpb n ALA 355 Ca 0.05 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 1qpb n ALA 355 Cb 0.41 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1qpb n ALA 355 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qpb s ASN 356 N -2.39 6.76 -0.11 0.00 0.01 -1.26 -4.99 114.94 112.95 1qpb s ASN 356 Ca 0.69 2.67 -0.18 0.00 -0.71 0.00 0.00 52.86 55.33 1qpb s ASN 356 Cb -0.26 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.72 1qpb s ASN 356 CO 0.55 -0.56 0.49 0.00 -1.51 0.00 0.00 177.10 176.07 1qpb s ALA 357 N -0.87 3.47 0.00 0.60 0.00 -1.26 -4.98 121.76 118.72 1qpb s ALA 357 Ca 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1qpb s ALA 357 Cb -0.40 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1qpb s ALA 357 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 175.76 176.27 1qpb n ALA 358 N 3.65 -0.61 -3.14 0.00 0.00 -1.26 -5.01 120.51 114.14 1qpb n ALA 358 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1qpb n ALA 358 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 1qpb n ALA 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qpb s VAL 359 N 0.00 -0.00 0.24 0.00 -7.23 -1.26 -5.14 120.40 107.01 1qpb s VAL 359 Ca 0.00 0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 59.91 1qpb s VAL 359 Cb 0.00 -0.27 -0.16 0.00 0.56 0.00 0.00 36.38 36.50 1qpb s VAL 359 CO 0.00 0.01 0.59 -0.81 -0.31 0.00 0.00 175.10 174.58 1qpb n PRO 360 N 3.11 0.31 0.00 4.82 -0.04 -1.26 -4.79 135.00 137.15 1qpb n PRO 360 Ca -0.14 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1qpb n PRO 360 Cb 0.58 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1qpb n PRO 360 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qpb n ALA 361 N -0.07 1.11 0.89 0.55 0.00 -1.26 -2.04 120.51 119.68 1qpb n ALA 361 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1qpb n ALA 361 Cb 0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1qpb n ALA 361 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qpb n SER 362 N -1.36 1.55 -4.72 0.00 3.41 -1.26 -1.25 113.62 109.98 1qpb n SER 362 Ca 0.00 -1.28 -0.43 0.00 -0.26 0.00 0.00 58.87 56.91 1qpb n SER 362 Cb 0.01 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1qpb n SER 362 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qpb n THR 363 N -0.51 0.61 -2.19 6.66 -2.24 -0.87 -4.77 114.28 110.97 1qpb n THR 363 Ca 0.07 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 1qpb n THR 363 Cb 0.38 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1qpb n THR 363 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1qpb s PRO 364 N 0.14 3.53 0.37 -0.78 0.02 -1.26 -0.47 135.00 136.54 1qpb s PRO 364 Ca 0.69 1.78 -0.28 0.00 0.02 0.00 0.00 61.00 63.22 1qpb s PRO 364 Cb -0.54 -2.25 -0.10 0.00 0.02 0.00 0.00 34.50 31.63 1qpb s PRO 364 CO 0.43 -0.75 1.36 -0.51 -0.33 0.00 0.00 177.00 177.20 1qpb s LEU 365 N -3.36 4.33 0.02 -5.54 1.02 -0.25 -4.64 118.68 110.26 1qpb s LEU 365 Ca 0.68 2.79 0.04 0.00 0.02 0.00 0.00 54.13 57.66 1qpb s LEU 365 Cb -0.29 -3.73 -0.01 0.00 0.02 0.00 0.00 46.19 42.18 1qpb s LEU 365 CO 0.34 -0.73 -0.11 -0.54 0.02 0.00 0.00 176.35 175.33 1qpb s LYS 366 N -2.01 0.79 0.10 1.70 -0.14 -1.26 -4.62 119.74 114.29 1qpb s LYS 366 Ca 0.52 -0.55 -0.23 0.00 -1.36 0.00 0.00 55.97 54.34 1qpb s LYS 366 Cb -0.41 -0.75 -0.13 0.00 -1.68 0.00 0.00 37.83 34.85 1qpb s LYS 366 CO 0.55 0.19 1.72 1.96 -0.76 0.00 0.00 175.35 179.01 1qpb h GLN 367 N 5.34 -0.08 -0.65 1.68 4.20 -1.92 -1.17 115.11 122.52 1qpb h GLN 367 Ca -0.34 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.47 1qpb h GLN 367 Cb 1.18 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.90 1qpb h GLN 367 CO 0.46 -0.05 0.26 1.49 -0.67 0.00 0.00 178.83 180.31 1qpb h GLU 368 N -0.08 0.43 -0.55 1.46 4.57 -1.96 0.13 114.58 118.57 1qpb h GLU 368 Ca 0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1qpb h GLU 368 Cb 0.09 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1qpb h GLU 368 CO -0.03 0.28 0.28 2.35 -1.18 0.00 0.00 179.01 180.72 1qpb h TRP 369 N 0.44 0.77 -0.15 0.92 7.01 -1.94 -2.95 115.95 120.05 1qpb h TRP 369 Ca 0.33 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.27 1qpb h TRP 369 Cb 0.42 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1qpb h TRP 369 CO -0.16 0.58 -0.03 1.98 -2.79 0.00 0.00 178.44 178.02 1qpb h MET 370 N 0.74 0.28 0.00 2.65 4.05 0.11 -0.60 114.93 122.15 1qpb h MET 370 Ca 0.19 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1qpb h MET 370 Cb 0.08 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1qpb h MET 370 CO -0.03 0.55 -0.05 -1.49 0.23 0.00 0.00 176.91 176.13 1qpb h TRP 371 N -0.01 0.00 0.00 1.39 -0.00 -0.85 0.29 115.95 116.77 1qpb h TRP 371 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 58.89 58.75 1qpb h TRP 371 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.58 1qpb h TRP 371 CO 0.05 0.05 -1.30 -0.97 -0.00 0.00 0.00 178.44 176.27 1qpb h ASN 372 N 0.00 0.00 1.00 -3.49 -0.00 -1.40 -3.35 115.58 108.34 1qpb h ASN 372 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.09 1qpb h ASN 372 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.42 1qpb h ASN 372 CO 0.01 0.64 -1.02 -0.61 -0.00 0.00 0.00 177.43 176.44 1qpb h GLN 373 N 0.00 0.00 -0.92 6.67 5.75 0.33 -3.33 115.11 123.61 1qpb h GLN 373 Ca -0.15 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.54 1qpb h GLN 373 Cb 1.62 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.09 1qpb h GLN 373 CO 0.06 0.88 0.59 1.25 -2.65 0.00 0.00 178.83 178.96 1qpb h LEU 374 N 0.00 0.54 -1.75 -2.39 5.85 -0.62 -2.01 115.31 114.94 1qpb h LEU 374 Ca -0.04 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1qpb h LEU 374 Cb 1.75 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1qpb h LEU 374 CO 0.12 0.23 0.51 1.23 -0.34 0.00 0.00 178.44 180.18 1qpb h GLY 375 N 0.55 0.00 1.57 3.75 0.00 -1.77 0.35 103.07 107.52 1qpb h GLY 375 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 1qpb h GLY 375 CO -0.22 0.00 -0.65 3.43 0.00 0.00 0.00 176.54 179.10 1qpb h ASN 376 N 0.00 0.00 0.17 0.19 2.35 -1.64 -3.35 115.58 113.31 1qpb h ASN 376 Ca 0.12 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.55 1qpb h ASN 376 Cb 1.14 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.52 1qpb h ASN 376 CO -0.00 0.25 -1.57 0.15 -1.65 0.00 0.00 177.43 174.61 1qpb h PHE 377 N 0.00 0.67 -3.62 1.19 3.57 -1.09 -3.47 116.94 114.19 1qpb h PHE 377 Ca -0.03 -0.49 -0.55 0.00 3.53 0.00 0.00 57.97 60.43 1qpb h PHE 377 Cb 1.22 -0.03 0.19 0.00 2.79 0.00 0.00 35.95 40.12 1qpb h PHE 377 CO 0.00 1.61 -0.10 1.28 -2.23 0.00 0.00 178.31 178.87 1qpb n LEU 378 N -3.73 2.35 -3.99 0.59 4.77 -1.05 -5.02 117.00 110.91 1qpb n LEU 378 Ca -0.23 0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1qpb n LEU 378 Cb 1.02 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1qpb n LEU 378 CO 0.50 -2.52 -0.27 0.00 -1.33 0.00 0.00 177.39 173.76 1qpb s GLN 379 N -3.33 0.59 0.13 3.23 -2.07 -1.26 -4.90 119.66 112.05 1qpb s GLN 379 Ca 0.69 -0.94 -0.35 0.00 -1.82 0.00 0.00 55.36 52.94 1qpb s GLN 379 Cb -0.32 0.22 -0.15 0.00 -1.09 0.00 0.00 33.01 31.67 1qpb s GLN 379 CO 0.55 -0.14 1.47 0.39 -1.32 0.00 0.00 175.29 176.24 1qpb n GLU 380 N 0.51 1.70 0.00 9.60 1.02 -1.26 -2.27 120.64 129.94 1qpb n GLU 380 Ca -0.17 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1qpb n GLU 380 Cb 0.60 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1qpb n GLU 380 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qpb n GLY 381 N 2.99 1.92 3.77 0.62 0.00 -0.01 -5.01 105.19 109.47 1qpb n GLY 381 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1qpb n GLY 381 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qpb s ASP 382 N -1.53 6.76 -0.36 1.61 1.01 -0.96 -4.55 116.67 118.65 1qpb s ASP 382 Ca 0.00 2.69 -0.13 0.00 0.71 0.00 0.00 52.55 55.82 1qpb s ASP 382 Cb 0.00 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 1qpb s ASP 382 CO 0.00 -0.54 0.24 -0.69 0.21 0.00 0.00 175.17 174.39 1qpb s VAL 383 N -1.14 5.13 -0.10 -1.27 1.01 -0.47 -2.58 120.40 120.98 1qpb s VAL 383 Ca 0.49 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1qpb s VAL 383 Cb -0.40 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1qpb s VAL 383 CO 0.53 -0.10 0.03 -0.69 0.00 0.00 0.00 175.10 174.87 1qpb s VAL 384 N 1.68 4.53 -0.08 2.92 1.01 0.97 -1.59 120.40 129.84 1qpb s VAL 384 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1qpb s VAL 384 Cb -0.18 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1qpb s VAL 384 CO 0.10 0.59 -0.15 -0.63 0.00 0.00 0.00 175.10 175.00 1qpb s ILE 385 N -0.72 1.38 -0.07 2.22 1.01 -0.24 -0.31 121.20 124.47 1qpb s ILE 385 Ca 0.12 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1qpb s ILE 385 Cb -0.12 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.12 1qpb s ILE 385 CO 0.02 0.41 -0.08 0.00 0.00 0.00 0.00 174.94 175.30 1qpb s ALA 386 N 0.71 1.05 0.54 9.38 0.00 -0.81 -0.92 121.76 131.71 1qpb s ALA 386 Ca -0.13 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 1qpb s ALA 386 Cb -0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1qpb s ALA 386 CO 0.03 -0.07 1.03 -2.00 0.00 0.00 0.00 175.76 174.75 1qpb s GLU 387 N 1.03 3.65 0.37 0.00 2.56 -0.83 -4.48 118.70 121.00 1qpb s GLU 387 Ca -0.08 1.14 -0.27 0.00 0.00 0.00 0.00 54.97 55.76 1qpb s GLU 387 Cb -0.14 -2.08 -0.11 0.00 2.00 0.00 0.00 34.13 33.79 1qpb s GLU 387 CO -0.00 -0.53 1.33 2.41 -0.56 0.00 0.00 175.26 177.90 1qpb n THR 388 N -1.64 2.16 0.00 -1.70 -1.04 -1.26 -0.16 114.28 110.64 1qpb n THR 388 Ca 0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1qpb n THR 388 Cb 0.53 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1qpb n THR 388 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qpb n GLY 389 N 0.71 0.23 0.33 3.41 0.00 -1.26 -4.72 105.19 103.90 1qpb n GLY 389 Ca 0.04 -2.28 0.07 0.00 0.00 0.00 0.00 46.02 43.85 1qpb n GLY 389 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qpb h THR 390 N 0.00 0.08 -0.11 2.61 1.35 -1.97 -1.21 112.91 113.67 1qpb h THR 390 Ca 0.00 -0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 1qpb h THR 390 Cb 0.00 0.07 -0.06 0.00 -1.73 0.00 0.00 68.15 66.43 1qpb h THR 390 CO 0.00 0.00 -0.43 0.28 -0.25 0.00 0.00 175.52 175.12 1qpb h SER 391 N 0.01 -1.36 -0.87 5.36 0.02 -1.85 0.49 113.55 115.35 1qpb h SER 391 Ca 0.48 0.17 0.16 0.00 -0.84 0.00 0.00 61.79 61.77 1qpb h SER 391 Cb 0.82 0.55 -0.16 0.00 0.14 0.00 0.00 62.40 63.75 1qpb h SER 391 CO -0.92 -0.44 -0.27 0.00 -1.14 0.00 0.00 176.83 174.06 1qpb h ALA 392 N 0.05 0.41 -0.11 3.77 0.00 0.72 0.40 119.26 124.49 1qpb h ALA 392 Ca 0.07 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1qpb h ALA 392 Cb 0.64 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1qpb h ALA 392 CO -0.39 -0.48 0.01 0.74 0.00 0.00 0.00 179.25 179.13 1qpb h PHE 393 N -0.02 0.21 -0.62 0.00 0.04 -1.17 -3.27 116.94 112.10 1qpb h PHE 393 Ca 0.38 -0.03 0.12 0.00 2.80 0.00 0.00 57.97 61.24 1qpb h PHE 393 Cb 0.62 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.63 1qpb h PHE 393 CO -0.72 0.41 0.14 0.78 -0.60 0.00 0.00 178.31 178.32 1qpb h GLY 394 N -0.06 0.81 1.75 -1.45 0.00 0.20 -2.17 103.07 102.15 1qpb h GLY 394 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1qpb h GLY 394 CO 0.00 -0.12 0.11 1.19 0.00 0.00 0.00 176.54 177.73 1qpb h ILE 395 N 0.27 0.26 0.00 2.60 6.09 -1.31 -1.52 117.51 123.90 1qpb h ILE 395 Ca 0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.82 1qpb h ILE 395 Cb 0.49 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.68 1qpb h ILE 395 CO -0.41 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.26 1qpb n ASN 396 N -3.44 0.12 -1.09 2.19 3.02 -0.81 -2.82 115.26 112.43 1qpb n ASN 396 Ca -0.01 0.53 0.04 0.00 -0.03 0.00 0.00 54.58 55.10 1qpb n ASN 396 Cb 0.19 -0.55 0.25 0.00 -0.61 0.00 0.00 39.78 39.06 1qpb n ASN 396 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qpb n GLN 397 N -1.63 2.72 -4.85 3.52 6.02 -0.57 -4.80 117.38 117.79 1qpb n GLN 397 Ca 0.03 -2.96 -0.33 0.00 -0.01 0.00 0.00 57.00 53.73 1qpb n GLN 397 Cb 0.16 -1.88 -0.13 0.00 1.02 0.00 0.00 30.24 29.41 1qpb n GLN 397 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1qpb s THR 398 N -2.96 3.08 -0.31 5.09 2.01 -1.13 -4.41 115.64 117.02 1qpb s THR 398 Ca 0.44 -0.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 1qpb s THR 398 Cb 0.37 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1qpb s THR 398 CO 0.07 0.57 0.88 -0.89 -0.69 0.00 0.00 174.62 174.56 1qpb s THR 399 N -0.41 4.70 -0.09 -0.82 2.01 -1.26 -5.00 115.64 114.76 1qpb s THR 399 Ca 0.05 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.11 1qpb s THR 399 Cb -0.12 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 1qpb s THR 399 CO 0.02 -0.33 1.15 -0.36 -0.69 0.00 0.00 174.62 174.41 1qpb s PHE 400 N 3.18 3.24 0.94 4.92 0.40 -1.26 -4.66 117.98 124.75 1qpb s PHE 400 Ca 0.37 1.30 -0.11 0.00 -0.60 0.00 0.00 56.93 57.88 1qpb s PHE 400 Cb -0.13 -3.37 0.11 0.00 0.51 0.00 0.00 43.02 40.14 1qpb s PHE 400 CO 0.13 -1.05 0.84 -2.30 0.70 0.00 0.00 175.22 173.54 1qpb n PRO 401 N 5.34 -0.48 -1.66 0.24 -0.02 -1.26 -4.44 135.00 132.72 1qpb n PRO 401 Ca 0.11 -0.08 -0.45 0.00 -2.02 0.00 0.00 63.50 61.05 1qpb n PRO 401 Cb 0.47 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1qpb n PRO 401 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1qpb n ASN 402 N -3.12 2.53 -2.77 2.55 2.85 -1.26 -3.98 115.26 112.07 1qpb n ASN 402 Ca 0.10 1.15 -0.04 0.00 -0.11 0.00 0.00 54.58 55.68 1qpb n ASN 402 Cb 0.53 -1.41 0.01 0.00 1.24 0.00 0.00 39.78 40.15 1qpb n ASN 402 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1qpb n ASN 403 N 1.90 -7.22 -3.81 1.20 2.85 -1.26 -4.15 115.26 104.77 1qpb n ASN 403 Ca 0.11 0.27 -0.17 0.00 -0.11 0.00 0.00 54.58 54.68 1qpb n ASN 403 Cb 0.31 -4.87 -0.16 0.00 1.24 0.00 0.00 39.78 36.31 1qpb n ASN 403 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1qpb s THR 404 N -2.65 0.14 -0.21 -0.44 2.01 -1.26 -0.83 115.64 112.41 1qpb s THR 404 Ca 0.13 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1qpb s THR 404 Cb -0.04 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1qpb s THR 404 CO 0.67 0.14 0.31 -0.47 -0.69 0.00 0.00 174.62 174.58 1qpb s TYR 405 N 1.04 3.36 0.02 4.92 6.14 -1.06 -4.54 117.35 127.22 1qpb s TYR 405 Ca -0.10 0.48 0.00 0.00 0.64 0.00 0.00 57.07 58.10 1qpb s TYR 405 Cb -0.13 -2.43 -0.04 0.00 0.42 0.00 0.00 41.96 39.78 1qpb s TYR 405 CO -0.02 0.03 0.11 0.20 0.64 0.00 0.00 175.55 176.51 1qpb s GLY 406 N 1.00 2.06 -0.20 8.97 0.00 -1.26 -0.02 107.32 117.87 1qpb s GLY 406 Ca 0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1qpb s GLY 406 CO 0.06 -0.81 -0.03 -0.42 0.00 0.00 0.00 173.10 171.91 1qpb s ILE 407 N -1.30 1.11 -0.14 0.90 1.01 0.58 -4.95 121.20 118.42 1qpb s ILE 407 Ca 0.26 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 1qpb s ILE 407 Cb -0.12 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 40.99 1qpb s ILE 407 CO 0.18 -0.06 0.16 -0.44 0.00 0.00 0.00 174.94 174.78 1qpb s SER 408 N 1.60 1.32 -1.25 3.58 0.01 -1.26 -1.92 113.70 115.77 1qpb s SER 408 Ca -0.02 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 1qpb s SER 408 Cb -0.17 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 1qpb s SER 408 CO -0.07 -0.29 2.06 1.67 0.41 0.00 0.00 173.24 177.01 1qpb n GLN 409 N 5.31 2.51 -0.15 12.44 7.27 -1.26 -4.75 117.38 138.75 1qpb n GLN 409 Ca -0.05 -2.53 -0.11 0.00 0.07 0.00 0.00 57.00 54.38 1qpb n GLN 409 Cb 0.50 -3.27 -0.01 0.00 2.41 0.00 0.00 30.24 29.87 1qpb n GLN 409 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1qpb h VAL 410 N 4.51 1.27 0.03 1.69 2.07 -1.96 -0.93 116.25 122.94 1qpb h VAL 410 Ca 0.49 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1qpb h VAL 410 Cb 0.70 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1qpb h VAL 410 CO 1.79 0.42 -0.18 0.25 0.02 0.00 0.00 177.57 179.87 1qpb h LEU 411 N 0.68 0.11 0.13 2.57 5.85 -1.97 -3.38 115.31 119.30 1qpb h LEU 411 Ca 0.11 -0.97 -0.26 0.00 0.84 0.00 0.00 57.88 57.61 1qpb h LEU 411 Cb 0.67 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.69 1qpb h LEU 411 CO 0.05 1.07 -1.08 -0.25 -0.34 0.00 0.00 178.44 177.89 1qpb h TRP 412 N -0.83 0.83 -6.25 1.25 -0.00 -1.91 -3.49 115.95 105.56 1qpb h TRP 412 Ca -0.03 -0.55 -0.42 0.00 -0.00 0.00 0.00 58.89 57.89 1qpb h TRP 412 Cb 1.12 -0.06 0.07 0.00 -0.00 0.00 0.00 29.16 30.30 1qpb h TRP 412 CO 0.25 1.40 -0.91 0.41 -0.00 0.00 0.00 178.44 179.60 1qpb n GLY 413 N 1.46 -1.02 3.31 2.65 0.00 -0.35 -4.97 105.19 106.26 1qpb n GLY 413 Ca -0.14 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1qpb n GLY 413 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpb s SER 414 N -3.42 5.46 0.77 1.61 0.15 -1.26 -5.00 113.70 112.02 1qpb s SER 414 Ca 0.43 -1.08 -0.15 0.00 0.70 0.00 0.00 55.95 55.85 1qpb s SER 414 Cb -0.16 -1.92 0.02 0.00 -1.71 0.00 0.00 66.02 62.25 1qpb s SER 414 CO 0.86 -0.35 0.91 2.30 1.20 0.00 0.00 173.24 178.17 1qpb n ILE 415 N 4.88 2.14 0.00 6.45 -5.35 -1.26 -2.59 119.36 123.62 1qpb n ILE 415 Ca -0.12 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1qpb n ILE 415 Cb 0.45 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 1qpb n ILE 415 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qpb n GLY 416 N 1.07 2.84 0.41 3.28 0.00 -1.26 -4.88 105.19 106.65 1qpb n GLY 416 Ca 0.12 -0.74 0.36 0.00 0.00 0.00 0.00 46.02 45.76 1qpb n GLY 416 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qpb n PHE 417 N 0.00 0.75 -0.11 1.61 7.35 -1.07 -1.34 117.46 124.66 1qpb n PHE 417 Ca 0.00 0.76 -0.08 0.00 -0.76 0.00 0.00 57.45 57.37 1qpb n PHE 417 Cb 0.00 -1.18 0.08 0.00 0.35 0.00 0.00 39.48 38.72 1qpb n PHE 417 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1qpb h THR 418 N 0.00 1.27 -0.15 -2.13 1.35 -1.90 -1.92 112.91 109.43 1qpb h THR 418 Ca 0.82 -1.31 0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1qpb h THR 418 Cb 2.55 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 70.08 1qpb h THR 418 CO -0.50 0.44 -0.08 0.74 -0.25 0.00 0.00 175.52 175.87 1qpb h THR 419 N 0.72 0.74 0.18 6.82 2.02 -1.57 0.16 112.91 121.98 1qpb h THR 419 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1qpb h THR 419 Cb 0.71 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1qpb h THR 419 CO 0.05 0.00 -0.09 1.23 0.37 0.00 0.00 175.52 177.09 1qpb h GLY 420 N -0.08 -0.25 0.19 2.16 0.00 -1.63 -2.76 103.07 100.70 1qpb h GLY 420 Ca 0.09 0.09 0.17 0.00 0.00 0.00 0.00 47.33 47.68 1qpb h GLY 420 CO -0.20 -0.09 0.57 0.00 0.00 0.00 0.00 176.54 176.82 1qpb h ALA 421 N 0.58 1.55 -0.92 3.60 0.00 -0.91 -1.00 119.26 122.16 1qpb h ALA 421 Ca -0.02 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1qpb h ALA 421 Cb 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1qpb h ALA 421 CO 0.04 -0.03 0.57 1.15 0.00 0.00 0.00 179.25 180.98 1qpb h THR 422 N 0.76 0.98 0.03 0.00 2.02 -0.39 0.76 112.91 117.06 1qpb h THR 422 Ca 0.54 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1qpb h THR 422 Cb 0.79 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1qpb h THR 422 CO -0.37 0.18 -0.01 0.25 0.37 0.00 0.00 175.52 175.94 1qpb h LEU 423 N 0.97 -0.03 -0.61 2.58 7.12 -1.18 0.49 115.31 124.65 1qpb h LEU 423 Ca 0.43 -0.31 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 1qpb h LEU 423 Cb 0.32 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 1qpb h LEU 423 CO -0.22 0.29 0.27 1.23 -0.13 0.00 0.00 178.44 179.88 1qpb h GLY 424 N -0.36 0.96 0.55 3.75 0.00 -0.64 0.48 103.07 107.80 1qpb h GLY 424 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1qpb h GLY 424 CO 0.01 0.47 -0.18 0.00 0.00 0.00 0.00 176.54 176.83 1qpb h ALA 425 N 1.11 -0.50 -0.59 3.60 0.00 0.52 -1.89 119.26 121.50 1qpb h ALA 425 Ca 0.21 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1qpb h ALA 425 Cb 0.15 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1qpb h ALA 425 CO -0.02 -0.55 0.41 0.00 0.00 0.00 0.00 179.25 179.09 1qpb h ALA 426 N -0.64 2.35 0.30 0.00 0.00 -0.01 0.16 119.26 121.42 1qpb h ALA 426 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qpb h ALA 426 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qpb h ALA 426 CO 0.08 -0.52 -0.14 0.74 0.00 0.00 0.00 179.25 179.42 1qpb h PHE 427 N 0.15 -0.37 -0.60 0.00 0.04 -0.81 -1.13 116.94 114.21 1qpb h PHE 427 Ca 0.28 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.17 1qpb h PHE 427 Cb 0.92 0.12 -0.10 0.00 2.20 0.00 0.00 35.95 39.09 1qpb h PHE 427 CO -0.00 -0.23 -0.01 0.00 -0.60 0.00 0.00 178.31 177.47 1qpb h ALA 428 N -1.78 0.57 -0.82 2.45 0.00 -0.67 0.04 119.26 119.04 1qpb h ALA 428 Ca -0.04 0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.22 1qpb h ALA 428 Cb 0.31 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 1qpb h ALA 428 CO 0.07 -0.40 0.35 0.00 0.00 0.00 0.00 179.25 179.28 1qpb h ALA 429 N 1.55 1.22 -0.03 0.00 0.00 -0.67 0.63 119.26 121.96 1qpb h ALA 429 Ca 0.31 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1qpb h ALA 429 Cb 0.50 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1qpb h ALA 429 CO -0.52 -0.23 -0.15 1.49 0.00 0.00 0.00 179.25 179.84 1qpb h GLU 430 N 0.46 0.04 -0.01 0.00 4.81 0.32 -1.35 114.58 118.86 1qpb h GLU 430 Ca 0.47 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.49 1qpb h GLU 430 Cb 0.77 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1qpb h GLU 430 CO -0.44 0.19 -0.88 0.93 -0.73 0.00 0.00 179.01 178.08 1qpb h GLU 431 N 0.04 0.30 0.02 1.92 5.08 0.73 -3.32 114.58 119.35 1qpb h GLU 431 Ca 0.01 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 57.88 1qpb h GLU 431 Cb 0.29 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1qpb h GLU 431 CO 0.02 1.01 -0.94 0.82 -1.00 0.00 0.00 179.01 178.91 1qpb h ILE 432 N 0.17 1.18 -2.04 3.13 2.04 -0.88 -3.46 117.51 117.64 1qpb h ILE 432 Ca -0.06 -2.27 -0.20 0.00 1.00 0.00 0.00 64.86 63.33 1qpb h ILE 432 Cb 1.51 2.64 -0.31 0.00 -0.74 0.00 0.00 36.82 39.91 1qpb h ILE 432 CO 0.14 0.47 -0.53 -0.62 0.00 0.00 0.00 178.15 177.61 1qpb s ASP 433 N -6.71 0.62 0.35 1.72 -1.08 -0.54 -5.03 116.67 106.00 1qpb s ASP 433 Ca -0.24 0.00 0.21 0.00 -0.52 0.00 0.00 52.55 52.00 1qpb s ASP 433 Cb 0.03 0.90 1.13 0.00 -1.46 0.00 0.00 42.92 43.52 1qpb s ASP 433 CO 0.65 -0.32 1.60 1.55 0.52 0.00 0.00 175.17 179.18 1qpb h PRO 434 N 8.22 0.00 -0.41 4.34 0.13 -1.69 -1.41 132.00 141.18 1qpb h PRO 434 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1qpb h PRO 434 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qpb h PRO 434 CO 0.28 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.68 1qpb n LYS 435 N -2.26 2.32 -2.75 0.86 4.76 -1.26 -4.89 118.16 114.94 1qpb n LYS 435 Ca -0.01 -2.02 -0.42 0.00 -2.87 0.00 0.00 58.31 52.99 1qpb n LYS 435 Cb 0.13 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1qpb n LYS 435 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1qpb s LYS 436 N -1.47 4.53 0.22 1.97 2.20 -0.53 -4.95 119.74 121.70 1qpb s LYS 436 Ca 0.38 1.36 -0.04 0.00 -0.36 0.00 0.00 55.97 57.31 1qpb s LYS 436 Cb 0.21 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1qpb s LYS 436 CO 0.29 -0.06 0.45 1.03 -0.36 0.00 0.00 175.35 176.70 1qpb s ARG 437 N 1.08 3.60 -0.23 4.03 0.52 -1.26 -4.87 118.95 121.82 1qpb s ARG 437 Ca 0.50 -0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 55.58 1qpb s ARG 437 Cb -0.20 -2.76 0.07 0.00 0.52 0.00 0.00 34.95 32.57 1qpb s ARG 437 CO 0.26 0.35 0.02 0.08 0.02 0.00 0.00 175.30 176.03 1qpb s VAL 438 N -1.88 0.90 -0.14 3.52 1.01 -1.26 -1.37 120.40 121.19 1qpb s VAL 438 Ca 0.42 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1qpb s VAL 438 Cb -0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1qpb s VAL 438 CO 0.27 -0.27 0.16 -0.63 0.00 0.00 0.00 175.10 174.63 1qpb s ILE 439 N 1.67 5.44 -0.07 2.22 1.09 -0.62 -2.07 121.20 128.86 1qpb s ILE 439 Ca -0.00 0.26 0.03 0.00 -1.10 0.00 0.00 60.65 59.83 1qpb s ILE 439 Cb -0.18 -3.45 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 1qpb s ILE 439 CO -0.11 0.55 -0.16 -0.22 -0.10 0.00 0.00 174.94 174.90 1qpb s LEU 440 N -0.51 1.78 -0.27 2.97 1.98 -0.06 -1.08 118.68 123.49 1qpb s LEU 440 Ca 0.13 -0.37 -0.04 0.00 -2.89 0.00 0.00 54.13 50.96 1qpb s LEU 440 Cb -0.12 -1.00 0.02 0.00 0.66 0.00 0.00 46.19 45.76 1qpb s LEU 440 CO 0.03 0.07 0.00 -0.36 -1.89 0.00 0.00 176.35 174.20 1qpb s PHE 441 N 0.56 3.12 -0.00 5.38 0.40 -0.10 0.41 117.98 127.75 1qpb s PHE 441 Ca -0.16 -1.36 0.01 0.00 -0.60 0.00 0.00 56.93 54.82 1qpb s PHE 441 Cb -0.16 -2.14 -0.00 0.00 0.51 0.00 0.00 43.02 41.22 1qpb s PHE 441 CO 0.05 -0.68 -0.03 -1.50 0.70 0.00 0.00 175.22 173.76 1qpb s ILE 442 N 1.39 0.27 0.62 0.64 2.07 -0.24 -1.97 121.20 123.97 1qpb s ILE 442 Ca 0.00 -0.15 -0.13 0.00 -1.41 0.00 0.00 60.65 58.97 1qpb s ILE 442 Cb -0.17 -0.23 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1qpb s ILE 442 CO -0.01 0.07 1.03 -0.83 -1.91 0.00 0.00 174.94 173.30 1qpb s GLY 443 N -0.09 1.81 0.25 1.50 0.00 -1.26 -0.50 107.32 109.03 1qpb s GLY 443 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 1qpb s GLY 443 CO -0.00 0.38 1.84 1.29 0.00 0.00 0.00 173.10 176.61 1qpb h ASP 444 N -0.10 0.84 -0.71 1.64 2.03 -1.58 -2.90 116.42 115.64 1qpb h ASP 444 Ca -0.45 0.03 0.02 0.00 -0.73 0.00 0.00 57.03 55.90 1qpb h ASP 444 Cb 1.20 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.51 1qpb h ASP 444 CO 0.60 0.51 0.46 1.23 -1.03 0.00 0.00 179.24 181.00 1qpb h GLY 445 N 0.96 1.02 2.00 7.15 0.00 -1.86 -3.19 103.07 109.15 1qpb h GLY 445 Ca 0.41 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1qpb h GLY 445 CO -0.21 0.31 -0.77 1.76 0.00 0.00 0.00 176.54 177.63 1qpb h SER 446 N 0.90 0.00 -0.98 0.19 0.02 -1.89 -3.31 113.55 108.49 1qpb h SER 446 Ca 0.28 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.35 1qpb h SER 446 Cb -0.02 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.44 1qpb h SER 446 CO -0.10 0.77 0.62 0.25 -1.14 0.00 0.00 176.83 177.24 1qpb h LEU 447 N 0.00 0.90 -1.25 5.07 6.46 -1.51 -2.26 115.31 122.71 1qpb h LEU 447 Ca -0.01 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1qpb h LEU 447 Cb 1.41 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 1qpb h LEU 447 CO 0.10 0.49 0.54 1.56 -0.62 0.00 0.00 178.44 180.51 1qpb h GLN 448 N 0.97 0.87 -0.40 1.25 4.20 -1.69 0.21 115.11 120.51 1qpb h GLN 448 Ca 0.48 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.09 1qpb h GLN 448 Cb 0.48 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1qpb h GLN 448 CO -0.24 0.58 0.03 -0.07 -0.67 0.00 0.00 178.83 178.45 1qpb h LEU 449 N 0.90 0.59 -2.71 1.46 4.07 -1.61 -3.29 115.31 114.72 1qpb h LEU 449 Ca 0.36 -0.11 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 1qpb h LEU 449 Cb 0.24 -0.15 -0.11 0.00 1.08 0.00 0.00 40.66 41.72 1qpb h LEU 449 CO -0.13 0.64 -0.53 0.35 -1.08 0.00 0.00 178.44 177.69 1qpb n THR 450 N -4.27 0.90 -0.24 0.22 -2.24 -1.12 -4.94 114.28 102.59 1qpb n THR 450 Ca 0.02 -1.48 0.05 0.00 -2.27 0.00 0.00 64.05 60.38 1qpb n THR 450 Cb 0.25 0.31 0.17 0.00 -2.10 0.00 0.00 70.33 68.96 1qpb n THR 450 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1qpb h VAL 451 N 4.14 0.51 0.00 2.28 3.04 -0.65 -2.71 116.25 122.86 1qpb h VAL 451 Ca -0.06 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1qpb h VAL 451 Cb 1.36 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1qpb h VAL 451 CO 0.03 0.05 0.15 0.06 -1.01 0.00 0.00 177.57 176.85 1qpb h GLN 452 N 0.25 0.00 0.00 4.17 -0.00 -1.89 -2.41 115.11 115.24 1qpb h GLN 452 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.06 1qpb h GLN 452 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 1qpb h GLN 452 CO -0.51 0.00 0.00 -1.91 -0.00 0.00 0.00 178.83 176.41 1qpb n GLU 453 N -2.21 0.06 0.26 0.06 4.07 -1.02 -1.04 120.64 120.82 1qpb n GLU 453 Ca -0.01 0.38 0.14 0.00 -0.06 0.00 0.00 57.16 57.61 1qpb n GLU 453 Cb 0.18 -1.63 0.65 0.00 -0.06 0.00 0.00 31.44 30.59 1qpb n GLU 453 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1qpb h ILE 454 N 0.00 0.29 -0.47 6.31 2.04 -1.68 -2.57 117.51 121.42 1qpb h ILE 454 Ca 0.00 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1qpb h ILE 454 Cb 0.20 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1qpb h ILE 454 CO 0.00 0.10 0.20 -1.28 0.00 0.00 0.00 178.15 177.16 1qpb h SER 455 N 0.00 0.64 0.43 1.72 0.87 -1.33 -2.02 113.55 113.86 1qpb h SER 455 Ca -0.00 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1qpb h SER 455 Cb 0.52 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1qpb h SER 455 CO 0.01 0.63 -0.16 0.74 -0.53 0.00 0.00 176.83 177.52 1qpb h THR 456 N 0.62 0.65 -0.17 2.23 2.02 -1.61 -1.63 112.91 115.01 1qpb h THR 456 Ca 0.16 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1qpb h THR 456 Cb 0.18 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1qpb h THR 456 CO -0.01 0.15 -0.26 0.24 0.37 0.00 0.00 175.52 176.01 1qpb h MET 457 N 0.00 0.47 -0.61 6.66 2.07 -1.33 -3.20 114.93 119.00 1qpb h MET 457 Ca -0.00 -0.28 -0.07 0.00 -2.07 0.00 0.00 59.70 57.28 1qpb h MET 457 Cb 0.42 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.15 1qpb h MET 457 CO 0.02 0.88 0.11 0.82 1.07 0.00 0.00 176.91 179.81 1qpb h ILE 458 N 0.11 1.26 0.00 -1.22 2.04 -0.85 -2.50 117.51 116.34 1qpb h ILE 458 Ca 0.02 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1qpb h ILE 458 Cb 0.83 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1qpb h ILE 458 CO 0.06 0.36 -0.13 0.08 0.00 0.00 0.00 178.15 178.52 1qpb h ARG 459 N 0.92 0.00 -0.25 2.37 0.11 -1.37 -2.20 114.38 113.95 1qpb h ARG 459 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1qpb h ARG 459 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1qpb h ARG 459 CO 0.01 0.13 0.00 0.91 0.10 0.00 0.00 179.97 181.12 1qpb n TRP 460 N -3.60 0.30 -2.91 4.08 7.02 -1.14 -4.97 117.44 116.22 1qpb n TRP 460 Ca -0.02 -0.15 -0.19 0.00 -1.02 0.00 0.00 57.50 56.12 1qpb n TRP 460 Cb 0.27 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.19 1qpb n TRP 460 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1qpb n GLY 461 N 1.44 -0.36 3.82 6.99 0.00 -0.83 -5.00 105.19 111.26 1qpb n GLY 461 Ca 0.17 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1qpb n GLY 461 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpb s LEU 462 N -5.84 2.82 -0.39 0.99 1.43 -0.96 -4.99 118.68 111.74 1qpb s LEU 462 Ca 0.26 1.39 0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1qpb s LEU 462 Cb -0.12 -4.12 0.43 0.00 0.03 0.00 0.00 46.19 42.41 1qpb s LEU 462 CO 0.32 -1.71 1.00 0.29 0.23 0.00 0.00 176.35 176.49 1qpb n LYS 463 N -3.27 2.17 -1.63 1.70 5.02 -1.26 -4.05 118.16 116.84 1qpb n LYS 463 Ca 0.07 -3.86 -0.31 0.00 -2.02 0.00 0.00 58.31 52.20 1qpb n LYS 463 Cb 0.55 -1.74 0.06 0.00 -0.02 0.00 0.00 35.03 33.89 1qpb n LYS 463 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpb s PRO 464 N -3.26 2.69 -0.32 1.97 0.04 -1.26 -4.51 135.00 130.34 1qpb s PRO 464 Ca 0.38 0.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.09 1qpb s PRO 464 Cb 0.42 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.98 1qpb s PRO 464 CO -0.07 -1.23 0.15 0.71 0.04 0.00 0.00 177.00 176.60 1qpb s TYR 465 N -3.13 3.18 -0.39 0.56 1.51 -0.88 -2.52 117.35 115.67 1qpb s TYR 465 Ca 0.59 -0.67 -0.11 0.00 -1.01 0.00 0.00 57.07 55.87 1qpb s TYR 465 Cb -0.13 -2.35 0.05 0.00 -0.11 0.00 0.00 41.96 39.41 1qpb s TYR 465 CO 0.54 -0.49 0.23 -0.51 -1.11 0.00 0.00 175.55 174.21 1qpb s LEU 466 N 1.59 4.91 -0.28 -1.29 1.43 -0.01 -0.88 118.68 124.16 1qpb s LEU 466 Ca 0.04 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.80 1qpb s LEU 466 Cb -0.17 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1qpb s LEU 466 CO 0.06 -0.45 0.36 -0.36 0.23 0.00 0.00 176.35 176.18 1qpb s PHE 467 N 1.51 3.24 -0.23 0.29 0.40 0.17 -0.86 117.98 122.49 1qpb s PHE 467 Ca 0.02 0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1qpb s PHE 467 Cb -0.21 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1qpb s PHE 467 CO 0.05 -0.24 0.10 0.08 0.70 0.00 0.00 175.22 175.91 1qpb s VAL 468 N 2.04 4.79 -0.54 -0.44 1.01 -0.28 -1.08 120.40 125.89 1qpb s VAL 468 Ca 0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1qpb s VAL 468 Cb -0.16 -3.22 0.08 0.00 0.00 0.00 0.00 36.38 33.08 1qpb s VAL 468 CO 0.10 0.36 0.63 -0.76 0.00 0.00 0.00 175.10 175.43 1qpb s LEU 469 N 1.18 5.28 -0.87 3.92 1.43 0.34 -1.26 118.68 128.70 1qpb s LEU 469 Ca 0.05 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 51.76 1qpb s LEU 469 Cb -0.14 -2.35 0.15 0.00 0.03 0.00 0.00 46.19 43.88 1qpb s LEU 469 CO 0.04 -0.96 0.99 0.21 0.23 0.00 0.00 176.35 176.87 1qpb s ASN 470 N 3.12 6.63 -0.23 2.29 3.84 -0.55 -1.52 114.94 128.52 1qpb s ASN 470 Ca 0.12 -2.17 0.13 0.00 0.21 0.00 0.00 52.86 51.15 1qpb s ASN 470 Cb -0.22 -2.34 0.51 0.00 -0.55 0.00 0.00 41.25 38.65 1qpb s ASN 470 CO 0.08 -0.94 1.44 -0.46 -2.79 0.00 0.00 177.10 174.44 1qpb n ASN 471 N 5.83 3.21 -3.72 -4.21 0.23 -1.26 -2.26 115.26 113.09 1qpb n ASN 471 Ca 0.18 -3.36 -0.33 0.00 -0.53 0.00 0.00 54.58 50.54 1qpb n ASN 471 Cb 0.48 -0.59 0.04 0.00 -2.08 0.00 0.00 39.78 37.63 1qpb n ASN 471 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1qpb n ASP 472 N -0.83 -5.25 0.00 0.53 -0.08 -1.26 -3.98 116.55 105.67 1qpb n ASP 472 Ca 0.27 -1.03 0.00 0.00 -1.51 0.00 0.00 54.79 52.53 1qpb n ASP 472 Cb 0.97 -3.13 0.00 0.00 2.34 0.00 0.00 41.12 41.30 1qpb n ASP 472 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qpb n GLY 473 N -1.74 0.74 2.86 0.27 0.00 -1.26 -4.77 105.19 101.28 1qpb n GLY 473 Ca -0.10 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 1qpb n GLY 473 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qpb n TYR 474 N 9.00 2.57 -0.10 1.61 4.01 0.03 -4.21 117.16 130.08 1qpb n TYR 474 Ca 0.00 -2.92 -0.10 0.00 -0.16 0.00 0.00 57.90 54.72 1qpb n TYR 474 Cb 0.00 -1.09 -0.07 0.00 -0.31 0.00 0.00 39.34 37.87 1qpb n TYR 474 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1qpb h THR 475 N 3.30 0.00 -1.49 -0.72 1.35 -1.85 0.97 112.91 114.47 1qpb h THR 475 Ca 0.22 0.00 0.50 0.00 -0.55 0.00 0.00 66.41 66.57 1qpb h THR 475 Cb 0.60 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.89 1qpb h THR 475 CO 1.22 0.00 0.99 0.00 -0.25 0.00 0.00 175.52 177.48 1qpb n ILE 476 N -4.61 -0.21 0.04 6.82 0.00 -1.26 -0.22 119.36 119.91 1qpb n ILE 476 Ca -0.03 1.75 -0.10 0.00 0.00 0.00 0.00 62.75 64.38 1qpb n ILE 476 Cb 0.24 -2.88 -0.07 0.00 0.00 0.00 0.00 39.64 36.93 1qpb n ILE 476 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1qpb h GLU 477 N 0.00 -0.18 -1.08 9.51 4.39 -1.18 -3.21 114.58 122.83 1qpb h GLU 477 Ca 0.89 0.01 0.30 0.00 0.34 0.00 0.00 59.36 60.90 1qpb h GLU 477 Cb 3.02 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 31.60 1qpb h GLU 477 CO -0.39 0.25 0.68 0.87 -1.16 0.00 0.00 179.01 179.26 1qpb h LYS 478 N -0.91 0.36 -0.19 2.33 1.57 0.22 0.41 116.57 120.36 1qpb h LYS 478 Ca -0.02 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1qpb h LYS 478 Cb 0.51 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1qpb h LYS 478 CO 0.03 0.23 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.80 1qpb h LEU 479 N 0.37 0.36 0.00 2.94 4.07 -1.28 -3.14 115.31 118.63 1qpb h LEU 479 Ca 0.66 -0.12 -0.21 0.00 0.08 0.00 0.00 57.88 58.28 1qpb h LEU 479 Cb 1.65 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 43.26 1qpb h LEU 479 CO -0.38 0.64 -1.73 2.30 -1.08 0.00 0.00 178.44 178.18 1qpb n ILE 480 N -4.12 1.16 -3.64 1.22 -5.35 0.78 -4.78 119.36 104.62 1qpb n ILE 480 Ca -0.01 -0.72 -0.04 0.00 -0.27 0.00 0.00 62.75 61.71 1qpb n ILE 480 Cb 0.40 -0.64 -0.07 0.00 -1.74 0.00 0.00 39.64 37.60 1qpb n ILE 480 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1qpb s HIS 481 N -2.85 -0.31 -0.40 4.28 5.04 0.11 -5.03 115.29 116.13 1qpb s HIS 481 Ca -0.05 0.69 -0.00 0.00 -1.54 0.00 0.00 55.06 54.16 1qpb s HIS 481 Cb 0.09 0.36 0.00 0.00 0.04 0.00 0.00 32.58 33.07 1qpb s HIS 481 CO 0.83 -0.15 0.38 0.41 -2.34 0.00 0.00 174.74 173.87 1qpb n GLY 482 N 2.39 -0.82 0.36 1.59 0.00 -1.26 -3.83 105.19 103.63 1qpb n GLY 482 Ca -0.13 0.18 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qpb n GLY 482 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qpb h PRO 483 N 0.27 1.17 -0.33 1.61 0.11 -1.87 -2.72 132.00 130.25 1qpb h PRO 483 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1qpb h PRO 483 Cb 0.99 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1qpb h PRO 483 CO 0.16 0.78 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 1qpb n LYS 484 N -4.48 2.99 -1.73 1.05 4.01 -1.26 -4.80 118.16 113.95 1qpb n LYS 484 Ca 0.13 -2.52 -0.42 0.00 -0.51 0.00 0.00 58.31 54.99 1qpb n LYS 484 Cb 0.10 -1.61 -0.02 0.00 -0.51 0.00 0.00 35.03 32.98 1qpb n LYS 484 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qpb n ALA 485 N 0.05 2.44 0.10 7.82 0.00 -1.02 -4.89 120.51 125.00 1qpb n ALA 485 Ca 0.18 0.39 0.02 0.00 0.00 0.00 0.00 53.44 54.02 1qpb n ALA 485 Cb 0.70 -2.46 0.38 0.00 0.00 0.00 0.00 19.45 18.07 1qpb n ALA 485 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1qpb h GLN 486 N 5.33 0.27 0.00 0.00 4.15 -1.95 -1.32 115.11 121.59 1qpb h GLN 486 Ca -0.46 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1qpb h GLN 486 Cb 1.22 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1qpb h GLN 486 CO 0.84 0.40 0.00 2.48 -1.93 0.00 0.00 178.83 180.62 1qpb n TYR 487 N -4.27 0.00 1.08 3.99 0.18 -1.26 -1.91 117.16 114.97 1qpb n TYR 487 Ca -0.00 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.90 1qpb n TYR 487 Cb 0.27 -0.46 0.16 0.00 -0.38 0.00 0.00 39.34 38.93 1qpb n TYR 487 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1qpb n ASN 488 N -1.46 2.65 -4.95 9.48 3.02 -0.50 -4.95 115.26 118.55 1qpb n ASN 488 Ca 0.04 -1.86 -0.20 0.00 -0.03 0.00 0.00 54.58 52.53 1qpb n ASN 488 Cb 0.17 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1qpb n ASN 488 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qpb s GLU 489 N -2.05 3.12 0.41 3.52 0.41 -0.80 -0.79 118.70 122.52 1qpb s GLU 489 Ca 0.29 -1.00 0.04 0.00 -0.41 0.00 0.00 54.97 53.89 1qpb s GLU 489 Cb 0.20 -2.76 -0.02 0.00 -1.78 0.00 0.00 34.13 29.77 1qpb s GLU 489 CO 0.33 0.19 0.14 0.96 -0.49 0.00 0.00 175.26 176.39 1qpb s ILE 490 N -2.14 0.57 0.04 -1.63 -4.36 -1.26 -4.91 121.20 107.51 1qpb s ILE 490 Ca 0.41 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.58 1qpb s ILE 490 Cb -0.09 -2.35 -0.06 0.00 1.25 0.00 0.00 42.46 41.21 1qpb s ILE 490 CO 0.29 0.00 0.63 -1.58 0.24 0.00 0.00 174.94 174.52 1qpb s GLN 491 N -3.70 4.33 0.22 0.37 2.00 -1.26 -5.00 119.66 116.62 1qpb s GLN 491 Ca 0.24 0.82 -0.30 0.00 -2.00 0.00 0.00 55.36 54.13 1qpb s GLN 491 Cb 0.02 -3.30 -0.09 0.00 0.80 0.00 0.00 33.01 30.44 1qpb s GLN 491 CO 0.15 0.46 1.24 0.20 -0.50 0.00 0.00 175.29 176.85 1qpb s GLY 492 N -0.55 2.67 0.08 2.59 0.00 -1.26 -5.04 107.32 105.81 1qpb s GLY 492 Ca 0.32 1.05 0.08 0.00 0.00 0.00 0.00 44.72 46.17 1qpb s GLY 492 CO 0.19 1.91 -0.22 -0.98 0.00 0.00 0.00 173.10 174.01 1qpb s TRP 493 N -0.23 1.89 -1.40 1.90 0.52 -1.26 -5.04 118.94 115.33 1qpb s TRP 493 Ca 0.53 -0.40 -0.13 0.00 0.02 0.00 0.00 56.10 56.13 1qpb s TRP 493 Cb -0.35 -1.07 0.08 0.00 -1.15 0.00 0.00 33.47 30.98 1qpb s TRP 493 CO 0.40 0.17 2.09 -3.47 0.02 0.00 0.00 176.95 176.17 1qpb n ASP 494 N 1.39 4.30 -0.39 2.95 -0.08 -1.26 -4.84 116.55 118.62 1qpb n ASP 494 Ca -0.18 -2.93 -0.04 0.00 -1.51 0.00 0.00 54.79 50.13 1qpb n ASP 494 Cb 0.53 -1.60 0.00 0.00 2.34 0.00 0.00 41.12 42.39 1qpb n ASP 494 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1qpb n HIS 495 N 5.47 -0.10 0.15 -0.67 8.25 -1.26 -2.71 115.22 124.35 1qpb n HIS 495 Ca 0.48 1.23 -0.15 0.00 -0.26 0.00 0.00 57.72 59.01 1qpb n HIS 495 Cb 0.38 -0.79 -0.08 0.00 1.12 0.00 0.00 29.99 30.63 1qpb n HIS 495 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qpb h LEU 496 N 0.00 -1.32 0.00 2.41 3.38 -1.94 -1.75 115.31 116.09 1qpb h LEU 496 Ca 0.29 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1qpb h LEU 496 Cb 0.54 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1qpb h LEU 496 CO -0.97 -0.53 0.15 -1.54 0.09 0.00 0.00 178.44 175.64 1qpb n SER 497 N -5.48 0.00 -0.13 -0.43 3.41 -1.10 -2.35 113.62 107.54 1qpb n SER 497 Ca -0.08 0.21 -0.05 0.00 -0.26 0.00 0.00 58.87 58.70 1qpb n SER 497 Cb 0.40 -0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1qpb n SER 497 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qpb h LEU 498 N 0.00 0.09 0.01 1.04 5.85 -1.37 -1.50 115.31 119.44 1qpb h LEU 498 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1qpb h LEU 498 Cb 0.30 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1qpb h LEU 498 CO 0.00 0.09 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.09 1qpb h LEU 499 N 0.27 -0.07 -1.94 2.25 3.38 -1.69 -2.26 115.31 115.26 1qpb h LEU 499 Ca 0.20 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.40 1qpb h LEU 499 Cb 0.22 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1qpb h LEU 499 CO -0.23 -0.03 0.56 1.55 0.09 0.00 0.00 178.44 180.38 1qpb h PRO 500 N -0.04 0.05 -0.76 1.13 0.13 -1.74 0.94 132.00 131.72 1qpb h PRO 500 Ca -0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qpb h PRO 500 Cb 0.04 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.12 1qpb h PRO 500 CO -0.01 0.03 0.49 1.15 -0.23 0.00 0.00 178.00 179.44 1qpb h THR 501 N 0.05 1.20 -0.23 1.56 2.02 -0.72 -0.98 112.91 115.81 1qpb h THR 501 Ca 0.38 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1qpb h THR 501 Cb 1.43 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1qpb h THR 501 CO -0.03 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.55 1qpb n PHE 502 N -4.41 0.30 0.00 3.16 3.72 0.29 -4.89 117.46 115.64 1qpb n PHE 502 Ca 0.08 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1qpb n PHE 502 Cb 0.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1qpb n PHE 502 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qpb n GLY 503 N 0.99 0.82 3.58 1.37 0.00 -0.37 -4.90 105.19 106.68 1qpb n GLY 503 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1qpb n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpb n ALA 504 N -1.99 1.70 -0.02 4.61 0.00 -0.99 -4.84 120.51 118.97 1qpb n ALA 504 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 1qpb n ALA 504 Cb 0.00 -2.90 -0.14 0.00 0.00 0.00 0.00 19.45 16.41 1qpb n ALA 504 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qpb n LYS 505 N 8.72 0.68 -3.76 0.00 5.02 -1.26 -4.33 118.16 123.23 1qpb n LYS 505 Ca 0.31 0.26 -0.32 0.00 -2.02 0.00 0.00 58.31 56.55 1qpb n LYS 505 Cb 0.43 -1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 1qpb n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qpb s ASP 506 N -6.39 5.46 0.29 4.39 2.15 -1.26 -5.06 116.67 116.25 1qpb s ASP 506 Ca -0.12 -3.81 0.04 0.00 0.43 0.00 0.00 52.55 49.09 1qpb s ASP 506 Cb 0.07 -1.78 -0.01 0.00 -0.30 0.00 0.00 42.92 40.90 1qpb s ASP 506 CO 0.80 -0.13 0.14 0.00 -0.17 0.00 0.00 175.17 175.80 1qpb n TYR 507 N 2.13 -0.08 -3.73 -5.34 4.11 -1.26 -4.18 117.16 108.81 1qpb n TYR 507 Ca 0.21 -2.01 -0.12 0.00 -0.00 0.00 0.00 57.90 55.97 1qpb n TYR 507 Cb 0.36 0.05 -0.12 0.00 -0.00 0.00 0.00 39.34 39.64 1qpb n TYR 507 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1qpb s GLU 508 N -3.13 0.32 -0.03 -3.48 2.02 -1.10 -5.01 118.70 108.29 1qpb s GLU 508 Ca 0.19 0.57 0.05 0.00 0.02 0.00 0.00 54.97 55.81 1qpb s GLU 508 Cb 0.01 0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.25 1qpb s GLU 508 CO 0.14 -0.12 -0.18 0.95 0.02 0.00 0.00 175.26 176.07 1qpb s THR 509 N 0.88 1.47 0.09 3.63 -4.23 -1.26 -1.64 115.64 114.59 1qpb s THR 509 Ca -0.06 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1qpb s THR 509 Cb -0.07 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 1qpb s THR 509 CO -0.06 0.42 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.36 1qpb s HIS 510 N -0.21 0.92 -0.18 3.99 3.76 -0.35 -4.98 115.29 118.24 1qpb s HIS 510 Ca 0.02 -0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 54.13 1qpb s HIS 510 Cb -0.09 -0.52 0.06 0.00 1.11 0.00 0.00 32.58 33.13 1qpb s HIS 510 CO 0.01 -0.08 0.04 0.50 -0.85 0.00 0.00 174.74 174.35 1qpb s ARG 511 N -3.19 0.58 -0.23 1.40 3.52 -1.26 0.15 118.95 119.92 1qpb s ARG 511 Ca 0.07 -0.32 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 1qpb s ARG 511 Cb 0.01 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.41 1qpb s ARG 511 CO -0.02 -0.60 0.22 0.08 -0.81 0.00 0.00 175.30 174.17 1qpb s VAL 512 N 1.90 5.32 0.00 7.11 1.01 -0.48 -4.95 120.40 130.31 1qpb s VAL 512 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1qpb s VAL 512 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1qpb s VAL 512 CO -0.08 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1qpb n ALA 513 N 4.36 1.86 -2.51 5.51 0.00 -1.26 -1.66 120.51 126.81 1qpb n ALA 513 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 1qpb n ALA 513 Cb 0.52 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 20.05 1qpb n ALA 513 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qpb s THR 514 N -1.85 1.46 0.18 0.00 -4.23 -1.26 -1.09 115.64 108.85 1qpb s THR 514 Ca 0.00 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1qpb s THR 514 Cb 0.00 -1.26 0.29 0.00 1.34 0.00 0.00 72.50 72.88 1qpb s THR 514 CO 0.00 0.24 0.99 0.41 -0.54 0.00 0.00 174.62 175.73 1qpb n THR 515 N 2.17 -0.27 0.03 3.99 -1.04 0.38 0.65 114.28 120.19 1qpb n THR 515 Ca -0.16 1.45 -0.14 0.00 -2.04 0.00 0.00 64.05 63.16 1qpb n THR 515 Cb 0.54 -2.02 -0.08 0.00 -1.82 0.00 0.00 70.33 66.95 1qpb n THR 515 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1qpb h GLY 516 N 0.00 -0.94 0.06 3.41 0.00 -1.41 -0.65 103.07 103.54 1qpb h GLY 516 Ca 0.31 0.60 0.21 0.00 0.00 0.00 0.00 47.33 48.45 1qpb h GLY 516 CO -0.65 -0.23 0.61 0.83 0.00 0.00 0.00 176.54 177.10 1qpb h GLU 517 N -0.59 0.67 0.29 4.80 5.08 0.06 -1.86 114.58 123.03 1qpb h GLU 517 Ca 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1qpb h GLU 517 Cb 0.68 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1qpb h GLU 517 CO -0.38 0.44 -0.14 2.35 -1.00 0.00 0.00 179.01 180.28 1qpb h TRP 518 N 0.69 -0.37 -0.59 4.33 2.91 -0.60 -2.55 115.95 119.77 1qpb h TRP 518 Ca 0.59 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.65 1qpb h TRP 518 Cb 1.02 0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.74 1qpb h TRP 518 CO -0.00 -0.13 0.32 -0.44 -1.03 0.00 0.00 178.44 177.15 1qpb h ASP 519 N -0.54 0.47 -0.50 2.65 3.32 -0.64 -0.20 116.42 120.99 1qpb h ASP 519 Ca -0.04 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1qpb h ASP 519 Cb 0.40 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1qpb h ASP 519 CO 0.07 0.32 0.29 0.50 -1.72 0.00 0.00 179.24 178.69 1qpb h LYS 520 N 0.61 0.55 0.39 3.56 3.64 -1.34 -0.37 116.57 123.60 1qpb h LYS 520 Ca 0.26 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1qpb h LYS 520 Cb 0.14 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1qpb h LYS 520 CO -0.16 0.37 -0.19 1.25 -2.27 0.00 0.00 179.45 178.45 1qpb h LEU 521 N 0.57 -0.44 -2.51 5.20 5.85 -1.05 -2.36 115.31 120.57 1qpb h LEU 521 Ca 0.21 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1qpb h LEU 521 Cb 0.05 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1qpb h LEU 521 CO -0.11 -0.12 0.10 0.71 -0.34 0.00 0.00 178.44 178.68 1qpb h THR 522 N -0.92 0.00 0.00 1.05 1.35 -1.09 -0.98 112.91 112.32 1qpb h THR 522 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1qpb h THR 522 Cb 0.40 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1qpb h THR 522 CO 0.09 0.00 -1.09 0.00 -0.25 0.00 0.00 175.52 174.27 1qpb n GLN 523 N -2.91 0.45 -1.65 4.72 6.02 -0.15 -4.72 117.38 119.14 1qpb n GLN 523 Ca -0.03 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1qpb n GLN 523 Cb 0.16 -1.68 0.01 0.00 1.02 0.00 0.00 30.24 29.74 1qpb n GLN 523 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1qpb n ASP 524 N -2.28 1.91 0.21 1.08 2.03 -0.37 -4.88 116.55 114.24 1qpb n ASP 524 Ca 0.01 1.10 0.11 0.00 0.52 0.00 0.00 54.79 56.53 1qpb n ASP 524 Cb 0.50 -1.41 0.16 0.00 -0.72 0.00 0.00 41.12 39.64 1qpb n ASP 524 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1qpb h LYS 525 N 1.90 0.00 0.00 -0.67 3.64 -1.91 -2.96 116.57 116.57 1qpb h LYS 525 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1qpb h LYS 525 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1qpb h LYS 525 CO 0.59 0.04 -0.46 0.43 -2.27 0.00 0.00 179.45 177.78 1qpb n SER 526 N -3.11 0.51 0.00 4.20 7.64 -1.26 -3.73 113.62 117.87 1qpb n SER 526 Ca 0.04 -0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.75 1qpb n SER 526 Cb 0.55 0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.70 1qpb n SER 526 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1qpb h PHE 527 N 0.00 0.34 0.00 1.43 3.57 -1.84 -3.32 116.94 117.12 1qpb h PHE 527 Ca 0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1qpb h PHE 527 Cb 0.59 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1qpb h PHE 527 CO 0.00 1.50 0.00 0.09 -2.23 0.00 0.00 178.31 177.67 1qpb n ASN 528 N -3.34 0.50 -4.71 0.41 3.02 -1.12 -4.60 115.26 105.41 1qpb n ASN 528 Ca -0.25 0.70 -0.36 0.00 -0.03 0.00 0.00 54.58 54.64 1qpb n ASN 528 Cb 1.05 -0.78 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 1qpb n ASN 528 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qpb s ASP 529 N -3.93 6.27 -0.76 6.41 2.15 -1.25 -4.99 116.67 120.57 1qpb s ASP 529 Ca -0.00 0.31 -0.05 0.00 0.43 0.00 0.00 52.55 53.23 1qpb s ASP 529 Cb 0.06 -2.13 -0.05 0.00 -0.30 0.00 0.00 42.92 40.50 1qpb s ASP 529 CO 0.22 0.12 2.00 -0.46 -0.17 0.00 0.00 175.17 176.88 1qpb n ASN 530 N 3.74 4.30 0.08 -0.34 6.94 -1.26 -4.51 115.26 124.21 1qpb n ASN 530 Ca -0.14 -2.27 -0.09 0.00 -0.02 0.00 0.00 54.58 52.06 1qpb n ASN 530 Cb 0.52 -1.01 -0.01 0.00 -2.36 0.00 0.00 39.78 36.91 1qpb n ASN 530 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1qpb h SER 531 N 6.34 0.30 -4.94 0.53 0.02 -1.87 -3.46 113.55 110.47 1qpb h SER 531 Ca 0.42 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 1qpb h SER 531 Cb 0.19 -0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.52 1qpb h SER 531 CO 1.32 1.04 0.38 -1.59 -1.14 0.00 0.00 176.83 176.84 1qpb s LYS 532 N -3.22 1.16 0.47 3.45 -2.85 -1.26 -4.98 119.74 112.51 1qpb s LYS 532 Ca -0.03 -0.52 -0.24 0.00 -1.00 0.00 0.00 55.97 54.18 1qpb s LYS 532 Cb 0.10 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.26 1qpb s LYS 532 CO 0.83 -0.52 1.24 -0.89 0.10 0.00 0.00 175.35 176.12 1qpb n ILE 533 N -0.36 2.94 -3.72 3.79 -0.00 -1.26 -4.65 119.36 116.11 1qpb n ILE 533 Ca -0.10 -0.50 -0.12 0.00 -0.00 0.00 0.00 62.75 62.03 1qpb n ILE 533 Cb 0.62 -1.52 -0.13 0.00 -0.00 0.00 0.00 39.64 38.61 1qpb n ILE 533 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1qpb s ARG 534 N -2.40 0.20 -0.24 0.38 0.52 -1.05 -2.70 118.95 113.66 1qpb s ARG 534 Ca 0.65 0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 56.37 1qpb s ARG 534 Cb -0.48 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 34.87 1qpb s ARG 534 CO 0.55 -0.18 0.02 1.41 0.02 0.00 0.00 175.30 177.11 1qpb s MET 535 N 1.41 3.41 -0.26 3.54 -2.45 -0.65 -0.83 119.30 123.47 1qpb s MET 535 Ca -0.08 -0.62 -0.05 0.00 -1.25 0.00 0.00 55.69 53.69 1qpb s MET 535 Cb -0.11 -3.18 0.01 0.00 1.25 0.00 0.00 34.83 32.81 1qpb s MET 535 CO -0.09 -0.24 0.01 0.42 1.05 0.00 0.00 175.02 176.17 1qpb s ILE 536 N 1.52 3.50 -0.40 10.11 1.09 -0.04 -1.21 121.20 135.77 1qpb s ILE 536 Ca 0.05 -0.75 -0.18 0.00 -1.10 0.00 0.00 60.65 58.68 1qpb s ILE 536 Cb -0.15 -2.75 0.01 0.00 -1.06 0.00 0.00 42.46 38.51 1qpb s ILE 536 CO -0.00 0.19 0.48 -0.70 -0.10 0.00 0.00 174.94 174.81 1qpb s GLU 537 N 1.44 3.27 -0.18 2.79 2.12 0.12 -1.13 118.70 127.14 1qpb s GLU 537 Ca 0.02 -0.55 -0.18 0.00 0.36 0.00 0.00 54.97 54.62 1qpb s GLU 537 Cb -0.16 -3.92 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 1qpb s GLU 537 CO -0.01 -0.81 0.51 0.08 -0.54 0.00 0.00 175.26 174.50 1qpb s VAL 538 N 2.29 5.12 -0.27 3.70 1.01 -0.39 -1.38 120.40 130.48 1qpb s VAL 538 Ca 0.15 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 62.93 1qpb s VAL 538 Cb -0.16 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1qpb s VAL 538 CO 0.14 0.21 0.45 -0.04 0.00 0.00 0.00 175.10 175.86 1qpb s MET 539 N 1.41 3.99 0.19 2.72 1.00 -0.66 -1.48 119.30 126.47 1qpb s MET 539 Ca 0.25 0.13 0.05 0.00 0.00 0.00 0.00 55.69 56.12 1qpb s MET 539 Cb -0.15 -3.67 -0.05 0.00 0.00 0.00 0.00 34.83 30.96 1qpb s MET 539 CO 0.10 -0.35 -0.09 -0.51 0.00 0.00 0.00 175.02 174.17 1qpb s LEU 540 N 2.20 2.48 0.81 -0.03 1.43 -0.96 -4.59 118.68 120.02 1qpb s LEU 540 Ca 0.18 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1qpb s LEU 540 Cb -0.16 -0.44 0.08 0.00 0.03 0.00 0.00 46.19 45.70 1qpb s LEU 540 CO 0.10 -0.32 1.13 -2.84 0.23 0.00 0.00 176.35 174.65 1qpb s PRO 541 N -3.74 1.82 0.12 1.29 0.02 -1.26 -4.09 135.00 129.17 1qpb s PRO 541 Ca 0.21 1.40 -0.13 0.00 0.02 0.00 0.00 61.00 62.50 1qpb s PRO 541 Cb 0.02 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1qpb s PRO 541 CO 0.04 -2.00 1.49 0.28 -0.33 0.00 0.00 177.00 176.48 1qpb h VAL 542 N -1.20 1.28 -0.43 3.83 2.07 -1.93 -3.23 116.25 116.63 1qpb h VAL 542 Ca -0.44 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1qpb h VAL 542 Cb 1.25 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1qpb h VAL 542 CO 0.48 0.44 0.00 0.49 0.02 0.00 0.00 177.57 179.00 1qpb n PHE 543 N -4.26 1.42 -2.94 1.57 3.72 -1.26 -4.66 117.46 111.05 1qpb n PHE 543 Ca -0.02 -0.77 -0.40 0.00 -0.05 0.00 0.00 57.45 56.21 1qpb n PHE 543 Cb 0.43 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1qpb n PHE 543 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qpb s ASP 544 N -1.33 7.34 0.07 4.37 2.15 -1.22 -5.05 116.67 123.00 1qpb s ASP 544 Ca 0.47 1.59 -0.22 0.00 0.43 0.00 0.00 52.55 54.82 1qpb s ASP 544 Cb 0.36 -2.50 0.05 0.00 -0.30 0.00 0.00 42.92 40.53 1qpb s ASP 544 CO 0.14 0.08 0.53 0.00 -0.17 0.00 0.00 175.17 175.75 1qpb s ALA 545 N -0.49 -1.37 0.81 3.66 0.00 -1.26 -4.89 121.76 118.22 1qpb s ALA 545 Ca 0.39 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1qpb s ALA 545 Cb -0.22 0.49 0.09 0.00 0.00 0.00 0.00 23.12 23.48 1qpb s ALA 545 CO 0.26 -0.56 1.16 -1.25 0.00 0.00 0.00 175.76 175.36 1qpb s PRO 546 N -2.76 1.69 0.08 0.00 0.04 -1.26 -4.63 135.00 128.15 1qpb s PRO 546 Ca -0.04 1.57 -0.36 0.00 0.04 0.00 0.00 61.00 62.21 1qpb s PRO 546 Cb -0.00 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.55 1qpb s PRO 546 CO -0.04 -2.14 1.57 0.37 0.04 0.00 0.00 177.00 176.80 1qpb h GLN 547 N -1.10 -1.05 -1.42 4.56 5.75 -1.97 -2.95 115.11 116.92 1qpb h GLN 547 Ca -0.45 0.07 0.44 0.00 -0.15 0.00 0.00 58.65 58.56 1qpb h GLN 547 Cb 1.27 0.24 -0.10 0.00 1.07 0.00 0.00 27.48 29.96 1qpb h GLN 547 CO 0.46 -0.70 0.96 -2.95 -2.65 0.00 0.00 178.83 173.96 1qpb h ASN 548 N -1.09 0.17 0.20 -0.69 -1.07 -1.92 -1.29 115.58 109.89 1qpb h ASN 548 Ca -0.08 0.08 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 1qpb h ASN 548 Cb 0.91 0.07 0.02 0.00 -2.07 0.00 0.00 38.32 37.25 1qpb h ASN 548 CO 0.03 -0.09 -1.39 0.25 0.07 0.00 0.00 177.43 176.29 1qpb h LEU 549 N 0.08 0.65 0.00 6.14 5.85 -1.90 -3.29 115.31 122.84 1qpb h LEU 549 Ca 0.79 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1qpb h LEU 549 Cb 2.71 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.52 1qpb h LEU 549 CO -0.26 1.65 0.00 1.33 -0.34 0.00 0.00 178.44 180.82 1qpb n VAL 550 N -3.81 1.13 -0.08 1.05 0.24 -0.50 -0.80 118.33 115.56 1qpb n VAL 550 Ca -0.19 0.28 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 1qpb n VAL 550 Cb 1.01 -1.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.09 1qpb n VAL 550 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1qpb n GLU 551 N -1.37 0.62 0.13 7.34 2.13 -1.12 -4.15 120.64 124.22 1qpb n GLU 551 Ca 0.03 0.46 0.13 0.00 0.66 0.00 0.00 57.16 58.43 1qpb n GLU 551 Cb 0.06 -1.71 0.33 0.00 0.27 0.00 0.00 31.44 30.39 1qpb n GLU 551 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 1qpb h GLN 552 N -0.70 0.00 -0.02 5.31 -0.00 -1.57 -3.21 115.11 114.93 1qpb h GLN 552 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1qpb h GLN 552 Cb 1.54 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 29.02 1qpb h GLN 552 CO -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 178.83 178.69 1qpb h ALA 553 N 2.39 1.83 -0.03 0.06 0.00 -1.13 0.41 119.26 122.80 1qpb h ALA 553 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qpb h ALA 553 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qpb h ALA 553 CO 0.00 -0.02 -0.08 0.87 0.00 0.00 0.00 179.25 180.02 1qpb h LYS 554 N 0.00 0.10 0.00 0.00 1.57 -1.73 -3.32 116.57 113.19 1qpb h LYS 554 Ca 0.01 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 1qpb h LYS 554 Cb 0.04 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1qpb h LYS 554 CO -0.00 0.69 -1.07 1.37 -0.57 0.00 0.00 179.45 179.87 1qpb h LEU 555 N -0.48 0.00 0.00 2.94 -0.00 -1.68 -3.52 115.31 112.57 1qpb h LEU 555 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1qpb h LEU 555 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1qpb h LEU 555 CO 0.02 0.98 0.00 0.41 -0.00 0.00 0.00 178.44 179.84