#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrl h TYR 4 N 0.00 0.69 -0.84 1.20 5.03 -1.61 -3.18 116.97 118.26 1yrl h TYR 4 Ca 0.00 -0.37 0.09 0.00 2.58 0.00 0.00 58.73 61.03 1yrl h TYR 4 Cb 0.00 -0.08 -0.07 0.00 1.55 0.00 0.00 36.73 38.13 1yrl h TYR 4 CO 0.00 1.20 0.49 0.35 -1.32 0.00 0.00 178.16 178.88 1yrl h PHE 5 N -0.02 0.90 0.00 -3.82 3.57 -1.88 -0.99 116.94 114.70 1yrl h PHE 5 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1yrl h PHE 5 Cb 1.38 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1yrl h PHE 5 CO 0.14 0.38 0.00 0.09 -2.23 0.00 0.00 178.31 176.69 1yrl n ASN 6 N -4.71 0.00 0.02 0.41 3.02 -1.20 -1.61 115.26 111.19 1yrl n ASN 6 Ca 0.14 -0.27 0.11 0.00 -0.03 0.00 0.00 54.58 54.53 1yrl n ASN 6 Cb 0.26 -0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 1yrl n ASN 6 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1yrl n THR 7 N -1.11 0.15 -2.32 3.41 -2.24 -0.38 -4.90 114.28 106.89 1yrl n THR 7 Ca 0.10 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.39 1yrl n THR 7 Cb 0.08 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1yrl n THR 7 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1yrl s LEU 8 N -3.80 3.27 0.49 3.22 1.43 -0.63 -5.10 118.68 117.56 1yrl s LEU 8 Ca 0.05 0.89 0.08 0.00 -1.03 0.00 0.00 54.13 54.12 1yrl s LEU 8 Cb 0.15 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1yrl s LEU 8 CO 0.79 -0.97 0.60 0.54 0.23 0.00 0.00 176.35 177.54 1yrl s ASN 9 N -4.26 5.24 0.17 2.29 2.20 -1.26 -4.83 114.94 114.49 1yrl s ASN 9 Ca 0.53 -0.72 -0.24 0.00 -0.94 0.00 0.00 52.86 51.49 1yrl s ASN 9 Cb -0.11 -0.19 0.05 0.00 -2.00 0.00 0.00 41.25 39.01 1yrl s ASN 9 CO 0.47 -0.99 1.58 0.25 -2.94 0.00 0.00 177.10 175.48 1yrl h LEU 10 N 0.55 -1.26 -1.06 3.54 6.46 -1.98 0.63 115.31 122.19 1yrl h LEU 10 Ca -0.36 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1yrl h LEU 10 Cb 1.28 0.58 -0.05 0.00 -0.73 0.00 0.00 40.66 41.74 1yrl h LEU 10 CO 0.47 -0.33 0.63 -0.09 -0.62 0.00 0.00 178.44 178.50 1yrl h ARG 11 N -0.25 1.20 -0.06 1.25 2.43 -1.98 0.42 114.38 117.38 1yrl h ARG 11 Ca 0.18 -0.07 -0.23 0.00 -0.81 0.00 0.00 59.98 59.04 1yrl h ARG 11 Cb 0.56 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1yrl h ARG 11 CO -0.60 0.80 -0.89 1.96 -1.51 0.00 0.00 179.97 179.73 1yrl h GLN 12 N 1.24 0.63 -0.27 0.20 4.20 -1.63 -0.49 115.11 118.98 1yrl h GLN 12 Ca 0.37 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1yrl h GLN 12 Cb -0.04 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1yrl h GLN 12 CO -0.10 1.20 0.00 1.96 -0.67 0.00 0.00 178.83 181.22 1yrl h GLN 13 N 0.39 0.48 -0.50 1.46 4.20 0.85 -2.58 115.11 119.41 1yrl h GLN 13 Ca -0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1yrl h GLN 13 Cb 1.52 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.23 1yrl h GLN 13 CO 0.17 0.64 0.27 -0.07 -0.67 0.00 0.00 178.83 179.17 1yrl h LEU 14 N 0.27 0.63 -0.94 1.46 4.07 -0.19 0.63 115.31 121.24 1yrl h LEU 14 Ca 0.08 -0.09 0.16 0.00 0.08 0.00 0.00 57.88 58.10 1yrl h LEU 14 Cb 0.42 -0.16 -0.10 0.00 1.08 0.00 0.00 40.66 41.90 1yrl h LEU 14 CO 0.01 0.55 0.54 0.00 -1.08 0.00 0.00 178.44 178.46 1yrl h ALA 15 N 1.11 1.49 0.09 1.53 0.00 -0.95 -1.51 119.26 121.01 1yrl h ALA 15 Ca 0.18 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1yrl h ALA 15 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yrl h ALA 15 CO -0.03 -0.02 -0.98 0.37 0.00 0.00 0.00 179.25 178.59 1yrl h GLN 16 N 0.75 0.19 -0.55 0.00 5.75 -1.04 -3.35 115.11 116.86 1yrl h GLN 16 Ca 0.52 -0.32 0.16 0.00 -0.15 0.00 0.00 58.65 58.86 1yrl h GLN 16 Cb 0.73 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1yrl h GLN 16 CO -0.36 1.15 0.51 -0.07 -2.65 0.00 0.00 178.83 177.42 1yrl h LEU 17 N -0.53 0.00 -3.53 -2.39 4.07 0.63 -2.25 115.31 111.31 1yrl h LEU 17 Ca -0.21 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.52 1yrl h LEU 17 Cb 1.54 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 43.15 1yrl h LEU 17 CO 0.04 0.00 0.14 0.61 -1.08 0.00 0.00 178.44 178.15 1yrl n GLY 18 N -1.56 4.48 3.52 0.83 0.00 -0.60 -4.02 105.19 107.85 1yrl n GLY 18 Ca 0.10 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1yrl n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yrl s LYS 19 N -3.15 3.37 -0.31 1.61 1.02 -0.84 -4.69 119.74 116.74 1yrl s LYS 19 Ca 0.48 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 56.01 1yrl s LYS 19 Cb 0.42 -3.89 0.19 0.00 -0.52 0.00 0.00 37.83 34.02 1yrl s LYS 19 CO 0.06 -0.79 0.88 0.00 -0.92 0.00 0.00 175.35 174.58 1yrl s ARG 21 N 2.59 2.63 -0.42 0.00 3.52 -0.70 -4.80 118.95 121.77 1yrl s ARG 21 Ca 0.19 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.66 1yrl s ARG 21 Cb -0.03 -2.26 0.02 0.00 -1.56 0.00 0.00 34.95 31.12 1yrl s ARG 21 CO -0.20 0.41 1.21 0.12 -0.81 0.00 0.00 175.30 176.02 1yrl s PHE 22 N -0.22 2.76 0.13 5.12 5.36 -1.26 -0.27 117.98 129.60 1yrl s PHE 22 Ca -0.01 0.79 -0.30 0.00 -0.96 0.00 0.00 56.93 56.45 1yrl s PHE 22 Cb -0.13 -4.24 -0.07 0.00 -0.34 0.00 0.00 43.02 38.23 1yrl s PHE 22 CO 0.03 -1.40 1.18 -1.64 -1.46 0.00 0.00 175.22 171.93 1yrl s MET 23 N 4.41 4.49 1.02 10.12 -1.94 -0.51 -4.98 119.30 131.91 1yrl s MET 23 Ca 0.51 1.79 -0.12 0.00 -1.71 0.00 0.00 55.69 56.17 1yrl s MET 23 Cb -0.10 -3.30 0.20 0.00 2.01 0.00 0.00 34.83 33.64 1yrl s MET 23 CO 0.29 -0.13 1.07 0.20 -0.01 0.00 0.00 175.02 176.44 1yrl s GLY 24 N 0.50 1.59 0.48 -0.03 0.00 -1.26 -4.59 107.32 104.01 1yrl s GLY 24 Ca 0.55 -0.03 0.27 0.00 0.00 0.00 0.00 44.72 45.51 1yrl s GLY 24 CO 0.33 0.56 1.77 3.21 0.00 0.00 0.00 173.10 178.97 1yrl h ARG 25 N -2.09 0.00 0.00 2.90 3.08 -1.96 -2.97 114.38 113.35 1yrl h ARG 25 Ca -0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1yrl h ARG 25 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1yrl h ARG 25 CO 0.51 0.01 0.00 -0.44 -1.07 0.00 0.00 179.97 178.98 1yrl h ASP 26 N 0.00 0.00 1.03 7.04 5.19 -2.02 -3.04 116.42 124.62 1yrl h ASP 26 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1yrl h ASP 26 Cb 0.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1yrl h ASP 26 CO 0.00 0.00 -0.05 -0.62 -3.12 0.00 0.00 179.24 175.45 1yrl n GLU 27 N -2.89 0.04 -1.18 3.56 1.02 -1.12 -3.68 120.64 116.39 1yrl n GLU 27 Ca 0.02 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1yrl n GLU 27 Cb 0.36 -1.54 0.14 0.00 -0.02 0.00 0.00 31.44 30.37 1yrl n GLU 27 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1yrl n PHE 28 N -1.61 1.66 -0.79 -0.32 3.01 -1.15 -4.81 117.46 113.44 1yrl n PHE 28 Ca 0.07 -1.93 -0.09 0.00 1.01 0.00 0.00 57.45 56.51 1yrl n PHE 28 Cb 0.35 -0.54 -0.12 0.00 -0.01 0.00 0.00 39.48 39.16 1yrl n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yrl n ALA 29 N -0.99 5.29 0.00 4.37 0.00 -1.24 -3.13 120.51 124.81 1yrl n ALA 29 Ca 0.38 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1yrl n ALA 29 Cb 0.94 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1yrl n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yrl n ASP 30 N 2.45 0.00 0.00 0.00 8.00 -1.26 -5.12 116.55 120.61 1yrl n ASP 30 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1yrl n ASP 30 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1yrl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yrl n GLY 31 N -0.83 1.31 0.64 0.44 0.00 -1.18 -2.98 105.19 102.60 1yrl n GLY 31 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1yrl n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl n ALA 32 N 7.89 2.48 0.16 4.61 0.00 -1.26 -4.13 120.51 130.25 1yrl n ALA 32 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1yrl n ALA 32 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1yrl n ALA 32 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yrl h SER 33 N 0.02 -1.53 0.00 0.00 0.02 -1.85 -0.80 113.55 109.41 1yrl h SER 33 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1yrl h SER 33 Cb 0.63 0.55 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1yrl h SER 33 CO 0.00 -0.59 0.15 0.00 -1.14 0.00 0.00 176.83 175.26 1yrl n TYR 34 N -5.51 0.30 -0.34 3.45 9.36 -1.26 0.57 117.16 123.74 1yrl n TYR 34 Ca -0.09 0.16 0.07 0.00 3.32 0.00 0.00 57.90 61.35 1yrl n TYR 34 Cb 0.43 -0.63 0.21 0.00 -0.63 0.00 0.00 39.34 38.71 1yrl n TYR 34 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1yrl n LEU 35 N -1.78 3.33 -4.69 2.98 4.77 -0.34 -4.91 117.00 116.36 1yrl n LEU 35 Ca -0.01 -2.16 -0.42 0.00 -0.03 0.00 0.00 56.01 53.40 1yrl n LEU 35 Cb 0.17 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1yrl n LEU 35 CO 0.04 0.77 1.20 -1.58 -1.33 0.00 0.00 177.39 176.49 1yrl s GLN 36 N -1.28 4.25 0.00 3.23 2.00 0.19 -3.44 119.66 124.61 1yrl s GLN 36 Ca 0.31 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 55.81 1yrl s GLN 36 Cb 0.18 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.45 1yrl s GLN 36 CO 0.18 -0.63 0.00 0.41 -0.50 0.00 0.00 175.29 174.75 1yrl n GLY 37 N 3.78 1.83 3.57 2.59 0.00 -1.26 -4.98 105.19 110.71 1yrl n GLY 37 Ca 0.14 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1yrl n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yrl n LYS 38 N 0.00 1.19 -2.71 1.61 5.02 -1.22 -4.78 118.16 117.26 1yrl n LYS 38 Ca 0.00 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.29 1yrl n LYS 38 Cb 0.00 -1.75 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 1yrl n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yrl s LYS 39 N -1.51 4.63 -0.25 1.97 -0.14 -1.26 -4.15 119.74 119.03 1yrl s LYS 39 Ca 0.59 1.45 0.01 0.00 -1.36 0.00 0.00 55.97 56.66 1yrl s LYS 39 Cb -0.72 -3.41 0.04 0.00 -1.68 0.00 0.00 37.83 32.06 1yrl s LYS 39 CO 0.59 0.09 -0.10 0.08 -0.76 0.00 0.00 175.35 175.25 1yrl s VAL 40 N 0.45 2.48 -0.29 3.17 1.01 0.11 -1.07 120.40 126.26 1yrl s VAL 40 Ca 0.49 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1yrl s VAL 40 Cb -0.23 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1yrl s VAL 40 CO 0.29 0.14 0.10 -0.69 0.00 0.00 0.00 175.10 174.94 1yrl s VAL 41 N 1.23 4.25 -0.02 2.92 1.01 -0.61 -1.20 120.40 127.97 1yrl s VAL 41 Ca -0.03 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1yrl s VAL 41 Cb -0.18 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1yrl s VAL 41 CO -0.06 0.12 0.59 -0.63 0.00 0.00 0.00 175.10 175.13 1yrl s ILE 42 N 1.56 4.94 -0.39 2.22 1.01 -0.63 -0.87 121.20 129.03 1yrl s ILE 42 Ca 0.04 1.24 0.06 0.00 0.00 0.00 0.00 60.65 61.99 1yrl s ILE 42 Cb -0.17 -3.93 0.58 0.00 0.01 0.00 0.00 42.46 38.96 1yrl s ILE 42 CO 0.04 0.40 1.72 0.52 0.00 0.00 0.00 174.94 177.61 1yrl n VAL 43 N 2.88 2.94 0.15 2.92 0.31 -0.17 -1.41 118.33 125.96 1yrl n VAL 43 Ca -0.06 -2.39 0.00 0.00 -0.01 0.00 0.00 64.34 61.87 1yrl n VAL 43 Cb 0.51 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1yrl n VAL 43 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1yrl n LEU 50 N -1.12 -2.27 -0.37 7.52 7.94 -1.26 -4.70 117.00 122.74 1yrl n LEU 50 Ca 0.49 0.58 -0.02 0.00 -1.11 0.00 0.00 56.01 55.94 1yrl n LEU 50 Cb 1.34 2.26 0.03 0.00 0.53 0.00 0.00 43.42 47.57 1yrl n LEU 50 CO 0.44 -0.13 0.58 -0.55 -1.11 0.00 0.00 177.39 176.61 1yrl h ASN 51 N 0.00 -1.48 0.00 1.96 -1.07 -1.99 0.11 115.58 113.11 1yrl h ASN 51 Ca 0.00 0.31 -0.00 0.00 0.07 0.00 0.00 56.30 56.68 1yrl h ASN 51 Cb 0.00 0.76 0.00 0.00 -2.07 0.00 0.00 38.32 37.01 1yrl h ASN 51 CO 0.00 -0.29 -0.00 1.56 0.07 0.00 0.00 177.43 178.77 1yrl h GLN 52 N -0.02 -0.00 -0.91 4.14 4.20 -1.99 -3.27 115.11 117.25 1yrl h GLN 52 Ca 0.32 0.00 0.22 0.00 0.06 0.00 0.00 58.65 59.25 1yrl h GLN 52 Cb 0.58 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.24 1yrl h GLN 52 CO -0.96 0.57 0.43 0.78 -0.67 0.00 0.00 178.83 178.98 1yrl h GLY 53 N -1.00 1.60 1.00 3.46 0.00 -1.94 0.38 103.07 106.58 1yrl h GLY 53 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1yrl h GLY 53 CO 0.00 -0.25 0.41 -2.00 0.00 0.00 0.00 176.54 174.70 1yrl h LEU 54 N 0.44 0.74 -0.08 3.11 5.85 -0.93 -1.14 115.31 123.30 1yrl h LEU 54 Ca 0.57 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.21 1yrl h LEU 54 Cb 1.07 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1yrl h LEU 54 CO -0.51 0.55 -0.14 0.78 -0.34 0.00 0.00 178.44 178.78 1yrl h ASN 55 N 0.86 0.26 -0.60 1.25 4.21 -0.71 -3.25 115.58 117.61 1yrl h ASN 55 Ca 0.23 -0.55 0.07 0.00 1.21 0.00 0.00 56.30 57.27 1yrl h ASN 55 Cb -0.08 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.01 1yrl h ASN 55 CO -0.05 0.76 0.40 0.24 -1.29 0.00 0.00 177.43 177.49 1yrl h MET 56 N -0.23 0.53 0.20 0.81 2.07 -0.24 -2.42 114.93 115.65 1yrl h MET 56 Ca 0.01 -0.03 0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1yrl h MET 56 Cb 0.71 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.30 1yrl h MET 56 CO 0.03 0.35 -0.22 -0.09 1.07 0.00 0.00 176.91 178.06 1yrl h ARG 57 N 0.54 -0.44 0.00 1.72 9.65 -1.24 0.27 114.38 124.89 1yrl h ARG 57 Ca 0.27 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1yrl h ARG 57 Cb 0.35 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1yrl h ARG 57 CO -0.08 -0.29 0.01 -0.25 2.80 0.00 0.00 179.97 182.16 1yrl n ASP 58 N -5.34 0.00 -0.00 -3.80 10.43 -0.91 0.71 116.55 117.63 1yrl n ASP 58 Ca -0.08 0.13 0.08 0.00 2.57 0.00 0.00 54.79 57.49 1yrl n ASP 58 Cb 0.25 -0.13 -0.09 0.00 1.84 0.00 0.00 41.12 42.99 1yrl n ASP 58 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1yrl n SER 59 N -1.11 0.77 -0.37 -2.24 3.41 0.05 -5.01 113.62 109.12 1yrl n SER 59 Ca 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1yrl n SER 59 Cb 0.01 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1yrl n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yrl n GLY 60 N 1.38 0.72 3.24 5.00 0.00 0.22 -4.83 105.19 110.92 1yrl n GLY 60 Ca 0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1yrl n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrl s LEU 61 N -0.74 2.53 -1.15 0.99 1.43 -1.21 -4.66 118.68 115.86 1yrl s LEU 61 Ca 0.00 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 51.97 1yrl s LEU 61 Cb 0.00 -0.33 0.22 0.00 0.03 0.00 0.00 46.19 46.11 1yrl s LEU 61 CO 0.00 -0.34 1.27 -0.62 0.23 0.00 0.00 176.35 176.90 1yrl s ASP 62 N -3.16 7.17 0.13 2.29 -1.08 -1.26 -4.65 116.67 116.12 1yrl s ASP 62 Ca 0.16 -3.24 -0.26 0.00 -0.52 0.00 0.00 52.55 48.69 1yrl s ASP 62 Cb 0.03 -2.31 -0.07 0.00 -1.46 0.00 0.00 42.92 39.10 1yrl s ASP 62 CO 0.00 -0.55 0.82 -0.63 0.52 0.00 0.00 175.17 175.33 1yrl s ILE 63 N 0.31 4.46 -0.19 4.11 1.09 -1.26 -0.71 121.20 129.02 1yrl s ILE 63 Ca 0.37 1.77 -0.05 0.00 -1.10 0.00 0.00 60.65 61.64 1yrl s ILE 63 Cb -0.06 -4.18 0.09 0.00 -1.06 0.00 0.00 42.46 37.26 1yrl s ILE 63 CO -0.04 0.44 0.35 -0.44 -0.10 0.00 0.00 174.94 175.16 1yrl s SER 64 N -0.66 0.13 0.02 3.58 0.01 -0.34 -4.36 113.70 112.08 1yrl s SER 64 Ca 0.39 0.62 -0.26 0.00 1.31 0.00 0.00 55.95 58.01 1yrl s SER 64 Cb -0.23 1.06 -0.05 0.00 0.21 0.00 0.00 66.02 67.01 1yrl s SER 64 CO 0.26 -0.26 0.79 -0.31 0.41 0.00 0.00 173.24 174.14 1yrl s TYR 65 N 2.53 3.70 -0.89 2.43 1.51 -1.26 -1.61 117.35 123.76 1yrl s TYR 65 Ca 0.03 1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1yrl s TYR 65 Cb -0.13 -2.87 0.25 0.00 -0.11 0.00 0.00 41.96 39.10 1yrl s TYR 65 CO -0.12 0.19 0.96 0.00 -1.11 0.00 0.00 175.55 175.46 1yrl n ALA 66 N 3.15 4.21 -0.59 3.71 0.00 -0.50 -2.38 120.51 128.12 1yrl n ALA 66 Ca -0.01 -4.69 -0.30 0.00 0.00 0.00 0.00 53.44 48.44 1yrl n ALA 66 Cb 0.50 -1.69 0.21 0.00 0.00 0.00 0.00 19.45 18.47 1yrl n ALA 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yrl n LEU 67 N 1.73 1.20 -4.74 0.00 4.77 -1.18 -4.56 117.00 114.21 1yrl n LEU 67 Ca 0.25 0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 56.06 1yrl n LEU 67 Cb 0.37 -1.38 0.08 0.00 -2.33 0.00 0.00 43.42 40.16 1yrl n LEU 67 CO 0.46 -2.67 0.76 -0.13 -1.33 0.00 0.00 177.39 174.48 1yrl s ARG 68 N -4.52 2.38 0.12 3.23 3.00 -1.26 -4.37 118.95 117.53 1yrl s ARG 68 Ca 0.68 1.54 -0.25 0.00 0.00 0.00 0.00 55.73 57.69 1yrl s ARG 68 Cb -0.24 -1.89 -0.06 0.00 0.00 0.00 0.00 34.95 32.76 1yrl s ARG 68 CO 0.61 -1.60 1.66 0.87 0.00 0.00 0.00 175.30 176.84 1yrl h LYS 69 N -0.30 -0.32 -0.55 3.54 1.79 -1.93 0.37 116.57 119.17 1yrl h LYS 69 Ca -0.47 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.11 1yrl h LYS 69 Cb 1.27 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 1yrl h LYS 69 CO 0.51 -0.22 0.37 0.93 -1.08 0.00 0.00 179.45 179.97 1yrl h GLU 70 N -0.34 0.39 -0.02 3.15 3.07 -1.97 -1.71 114.58 117.15 1yrl h GLU 70 Ca 0.05 -0.02 -0.25 0.00 -0.50 0.00 0.00 59.36 58.64 1yrl h GLU 70 Cb 0.40 -0.09 0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1yrl h GLU 70 CO -0.18 0.25 -0.99 0.00 -1.40 0.00 0.00 179.01 176.70 1yrl h ALA 71 N 1.71 0.20 -0.37 3.43 0.00 -1.71 -3.17 119.26 119.35 1yrl h ALA 71 Ca 0.25 -0.69 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 1yrl h ALA 71 Cb 0.47 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1yrl h ALA 71 CO -0.07 0.71 0.30 0.44 0.00 0.00 0.00 179.25 180.63 1yrl n ILE 72 N -3.85 2.32 -1.53 0.00 -5.35 0.06 -3.06 119.36 107.95 1yrl n ILE 72 Ca -0.10 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.23 1yrl n ILE 72 Cb 0.86 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 1yrl n ILE 72 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yrl n ALA 73 N 0.33 0.47 -2.54 -1.28 0.00 -1.09 -4.97 120.51 111.42 1yrl n ALA 73 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1yrl n ALA 73 Cb 0.70 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.17 1yrl n ALA 73 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yrl n GLU 74 N 0.00 0.23 -1.47 0.00 0.28 -1.17 -5.06 120.64 113.45 1yrl n GLU 74 Ca 0.00 -0.25 -0.26 0.00 -0.16 0.00 0.00 57.16 56.49 1yrl n GLU 74 Cb 0.37 0.07 -0.07 0.00 1.43 0.00 0.00 31.44 33.24 1yrl n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yrl n GLY 86 N -0.29 4.23 3.51 -1.84 0.00 -1.26 -4.85 105.19 104.70 1yrl n GLY 86 Ca -0.05 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 1yrl n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yrl s PHE 87 N -1.08 2.22 -1.23 1.61 0.40 -1.26 -5.03 117.98 113.61 1yrl s PHE 87 Ca 0.60 -0.63 -0.18 0.00 -0.60 0.00 0.00 56.93 56.13 1yrl s PHE 87 Cb 0.34 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 1yrl s PHE 87 CO -0.17 0.42 2.03 0.36 0.70 0.00 0.00 175.22 178.56 1yrl n LYS 88 N -0.73 2.45 -1.77 0.44 0.00 -1.26 -4.88 118.16 112.40 1yrl n LYS 88 Ca -0.05 -2.53 -0.19 0.00 -0.00 0.00 0.00 58.31 55.54 1yrl n LYS 88 Cb 0.64 -3.28 -0.07 0.00 -0.00 0.00 0.00 35.03 32.32 1yrl n LYS 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1yrl s VAL 89 N 4.64 3.20 0.00 0.58 1.01 -1.26 -4.30 120.40 124.27 1yrl s VAL 89 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1yrl s VAL 89 Cb 0.11 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1yrl s VAL 89 CO 0.02 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1yrl n GLY 90 N 6.58 2.75 2.46 4.51 0.00 -1.00 -4.91 105.19 115.58 1yrl n GLY 90 Ca 0.44 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 1yrl n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yrl n THR 91 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -3.13 114.28 110.26 1yrl n THR 91 Ca 0.00 -1.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 1yrl n THR 91 Cb 0.00 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1yrl n THR 91 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yrl n TYR 92 N -0.65 0.00 0.19 4.78 0.53 -1.26 -1.29 117.16 119.46 1yrl n TYR 92 Ca -0.03 0.00 0.18 0.00 -1.02 0.00 0.00 57.90 57.02 1yrl n TYR 92 Cb 0.45 0.00 0.82 0.00 -1.03 0.00 0.00 39.34 39.58 1yrl n TYR 92 CO 0.00 0.00 0.00 1.05 -1.02 0.00 0.00 176.86 176.89 1yrl h GLU 93 N 0.00 0.00 -0.33 -0.72 9.09 -1.97 0.91 114.58 121.56 1yrl h GLU 93 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1yrl h GLU 93 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1yrl h GLU 93 CO 0.00 0.00 0.00 -1.91 0.05 0.00 0.00 179.01 177.15 1yrl n GLU 94 N -3.76 1.44 0.00 1.06 2.13 -1.02 -4.42 120.64 116.07 1yrl n GLU 94 Ca 0.02 -0.54 0.00 0.00 0.66 0.00 0.00 57.16 57.30 1yrl n GLU 94 Cb 0.37 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1yrl n GLU 94 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1yrl n LEU 95 N -0.03 0.00 -0.25 4.31 4.77 0.29 -4.44 117.00 121.65 1yrl n LEU 95 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1yrl n LEU 95 Cb 0.20 0.16 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 1yrl n LEU 95 CO 0.04 -0.18 1.00 0.40 -1.33 0.00 0.00 177.39 177.31 1yrl h ILE 96 N 0.00 0.65 -0.28 -0.08 1.08 0.55 -2.88 117.51 116.55 1yrl h ILE 96 Ca 0.00 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1yrl h ILE 96 Cb 0.00 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 33.88 1yrl h ILE 96 CO 0.00 0.07 -0.33 1.55 -0.69 0.00 0.00 178.15 178.75 1yrl h PRO 97 N 0.40 -0.31 -0.14 2.37 0.13 -1.75 -1.65 132.00 131.06 1yrl h PRO 97 Ca 0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 1yrl h PRO 97 Cb 0.61 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1yrl h PRO 97 CO -0.41 -0.21 0.00 1.04 -0.23 0.00 0.00 178.00 178.19 1yrl n GLN 98 N -5.41 1.54 -2.23 0.86 6.02 -1.20 -3.50 117.38 113.47 1yrl n GLN 98 Ca -0.01 -0.82 -0.42 0.00 -0.01 0.00 0.00 57.00 55.74 1yrl n GLN 98 Cb 0.33 -1.35 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 1yrl n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yrl s ALA 99 N -1.83 3.54 -0.09 -1.58 0.00 -0.62 -4.61 121.76 116.58 1yrl s ALA 99 Ca 0.30 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.47 1yrl s ALA 99 Cb 0.15 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 1yrl s ALA 99 CO 0.24 -0.56 0.78 -0.44 0.00 0.00 0.00 175.76 175.77 1yrl h ASP 100 N 6.41 0.00 -2.52 0.00 3.32 -1.41 -3.43 116.42 118.79 1yrl h ASP 100 Ca -0.43 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.35 1yrl h ASP 100 Cb 1.21 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.42 1yrl h ASP 100 CO 0.83 0.76 -0.59 -0.22 -1.72 0.00 0.00 179.24 178.30 1yrl s LEU 101 N -5.94 -0.22 -0.57 1.55 2.96 -1.19 -0.67 118.68 114.60 1yrl s LEU 101 Ca -0.03 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 1yrl s LEU 101 Cb 0.08 0.55 0.12 0.00 0.50 0.00 0.00 46.19 47.44 1yrl s LEU 101 CO 0.82 -0.30 0.59 -0.69 -1.32 0.00 0.00 176.35 175.45 1yrl s VAL 102 N 2.37 5.05 -0.92 1.68 1.01 -0.01 -1.58 120.40 128.00 1yrl s VAL 102 Ca 0.07 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.51 1yrl s VAL 102 Cb -0.15 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 31.88 1yrl s VAL 102 CO -0.12 -0.99 1.33 -0.63 0.00 0.00 0.00 175.10 174.70 1yrl s ILE 103 N 2.04 4.02 -0.36 2.22 1.01 -0.05 0.23 121.20 130.30 1yrl s ILE 103 Ca 0.07 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 1yrl s ILE 103 Cb -0.27 -4.96 0.02 0.00 0.01 0.00 0.00 42.46 37.25 1yrl s ILE 103 CO 0.04 -1.83 1.01 0.21 0.00 0.00 0.00 174.94 174.37 1yrl s ASN 104 N 4.44 6.77 -0.30 3.58 2.47 0.56 -1.00 114.94 131.46 1yrl s ASN 104 Ca 0.40 0.75 0.07 0.00 0.42 0.00 0.00 52.86 54.50 1yrl s ASN 104 Cb -0.03 -2.51 0.46 0.00 -1.45 0.00 0.00 41.25 37.72 1yrl s ASN 104 CO -0.03 -0.92 1.24 0.18 -3.72 0.00 0.00 177.10 173.85 1yrl n LEU 105 N 6.95 4.88 -4.91 3.21 4.77 -1.26 -4.21 117.00 126.44 1yrl n LEU 105 Ca 0.10 -4.64 -0.28 0.00 -0.03 0.00 0.00 56.01 51.16 1yrl n LEU 105 Cb 0.48 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1yrl n LEU 105 CO 0.60 2.00 0.59 0.42 -1.33 0.00 0.00 177.39 179.67 1yrl s THR 106 N -4.47 3.82 0.71 -5.08 -4.23 -1.26 -5.02 115.64 100.09 1yrl s THR 106 Ca 0.51 0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 61.04 1yrl s THR 106 Cb 0.41 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.74 1yrl s THR 106 CO 0.03 -0.59 1.13 -0.81 -0.54 0.00 0.00 174.62 173.84 1yrl n PRO 107 N -2.66 0.67 -0.26 3.99 -0.04 -1.26 -4.83 135.00 130.61 1yrl n PRO 107 Ca 0.05 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.84 1yrl n PRO 107 Cb 0.57 -2.37 0.18 0.00 -0.04 0.00 0.00 33.50 31.84 1yrl n PRO 107 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1yrl h ASP 108 N -0.08 0.40 0.02 3.54 3.45 -2.01 -2.27 116.42 119.47 1yrl h ASP 108 Ca -0.48 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.06 1yrl h ASP 108 Cb 1.33 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1yrl h ASP 108 CO 0.49 0.19 -0.00 0.50 -1.57 0.00 0.00 179.24 178.85 1yrl h LYS 109 N 0.54 0.00 -0.21 3.56 3.64 -2.03 -2.89 116.57 119.18 1yrl h LYS 109 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1yrl h LYS 109 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1yrl h LYS 109 CO -0.35 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 177.88 1yrl n GLN 110 N -3.22 2.27 -0.23 1.90 3.00 -0.86 -4.69 117.38 115.55 1yrl n GLN 110 Ca -0.03 -1.71 -0.05 0.00 -0.01 0.00 0.00 57.00 55.20 1yrl n GLN 110 Cb 0.08 -1.20 0.06 0.00 0.00 0.00 0.00 30.24 29.17 1yrl n GLN 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1yrl h HIS 111 N 1.60 0.81 -0.30 1.08 3.86 -1.43 -1.96 115.15 118.81 1yrl h HIS 111 Ca 0.00 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1yrl h HIS 111 Cb 0.60 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 1yrl h HIS 111 CO 0.14 0.49 -0.22 0.77 0.86 0.00 0.00 177.93 179.97 1yrl h SER 112 N 0.86 -0.71 0.92 2.45 0.02 -1.83 0.24 113.55 115.50 1yrl h SER 112 Ca 0.25 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.30 1yrl h SER 112 Cb -0.06 0.35 0.01 0.00 0.14 0.00 0.00 62.40 62.84 1yrl h SER 112 CO -0.07 -0.25 -0.45 0.44 -1.14 0.00 0.00 176.83 175.36 1yrl h ASP 113 N -0.19 -1.06 -0.63 3.07 3.45 -1.84 0.16 116.42 119.38 1yrl h ASP 113 Ca 0.16 0.04 0.13 0.00 0.43 0.00 0.00 57.03 57.78 1yrl h ASP 113 Cb 0.43 0.27 -0.11 0.00 -0.56 0.00 0.00 39.33 39.36 1yrl h ASP 113 CO -0.41 -0.75 -0.09 0.58 -1.57 0.00 0.00 179.24 176.99 1yrl h VAL 114 N -1.24 0.41 -0.03 -1.35 2.07 -1.13 0.14 116.25 115.12 1yrl h VAL 114 Ca -0.13 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1yrl h VAL 114 Cb 0.95 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1yrl h VAL 114 CO 0.21 0.01 -0.47 0.58 0.02 0.00 0.00 177.57 177.91 1yrl h VAL 115 N 0.04 1.34 -0.02 2.57 2.07 -0.48 0.13 116.25 121.90 1yrl h VAL 115 Ca 0.32 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1yrl h VAL 115 Cb 0.50 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1yrl h VAL 115 CO -0.61 0.47 0.00 -1.14 0.02 0.00 0.00 177.57 176.32 1yrl n ARG 116 N -3.98 1.06 0.00 1.57 0.63 0.57 -2.39 116.66 114.12 1yrl n ARG 116 Ca -0.02 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1yrl n ARG 116 Cb 0.50 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.19 1yrl n ARG 116 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1yrl n THR 117 N -0.62 0.00 0.06 5.15 -2.24 -0.55 -4.81 114.28 111.28 1yrl n THR 117 Ca 0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1yrl n THR 117 Cb 0.07 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1yrl n THR 117 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yrl h VAL 118 N 0.00 1.24 0.34 2.28 2.07 -0.72 -3.37 116.25 118.08 1yrl h VAL 118 Ca 0.00 -2.89 -0.00 0.00 0.82 0.00 0.00 66.70 64.63 1yrl h VAL 118 Cb 0.21 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1yrl h VAL 118 CO 0.00 0.82 -0.30 1.56 0.02 0.00 0.00 177.57 179.67 1yrl h GLN 119 N 0.06 -0.63 -1.08 1.57 4.20 -1.71 -1.88 115.11 115.63 1yrl h GLN 119 Ca -0.21 0.04 0.32 0.00 0.06 0.00 0.00 58.65 58.87 1yrl h GLN 119 Cb 1.99 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 29.78 1yrl h GLN 119 CO 0.16 -0.42 0.67 -1.35 -0.67 0.00 0.00 178.83 177.22 1yrl h PRO 120 N -0.65 0.31 0.00 1.46 0.11 -1.85 0.34 132.00 131.73 1yrl h PRO 120 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1yrl h PRO 120 Cb 0.58 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1yrl h PRO 120 CO -0.04 0.21 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.63 1yrl h LEU 121 N 0.32 0.00 -9.66 2.35 3.38 -1.62 -3.46 115.31 106.62 1yrl h LEU 121 Ca 0.70 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 58.14 1yrl h LEU 121 Cb 1.77 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.55 1yrl h LEU 121 CO -0.46 0.00 0.66 -0.04 0.09 0.00 0.00 178.44 178.70 1yrl s MET 122 N -3.23 4.38 0.15 1.13 -1.94 0.12 -3.21 119.30 116.70 1yrl s MET 122 Ca 0.06 2.06 -0.03 0.00 -1.71 0.00 0.00 55.69 56.07 1yrl s MET 122 Cb 0.07 -3.20 0.04 0.00 2.01 0.00 0.00 34.83 33.75 1yrl s MET 122 CO 0.69 -0.28 0.12 0.36 -0.01 0.00 0.00 175.02 175.90 1yrl n LYS 123 N 2.80 -1.59 -3.39 2.03 2.85 -1.23 -4.99 118.16 114.64 1yrl n LYS 123 Ca 0.07 -0.20 -0.38 0.00 -1.05 0.00 0.00 58.31 56.76 1yrl n LYS 123 Cb 0.43 -0.20 -0.06 0.00 -0.65 0.00 0.00 35.03 34.54 1yrl n LYS 123 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1yrl s ASP 124 N -1.94 6.91 0.00 -5.58 -1.08 -1.26 -4.04 116.67 109.68 1yrl s ASP 124 Ca 0.08 1.09 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1yrl s ASP 124 Cb -0.01 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1yrl s ASP 124 CO 0.06 0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.63 1yrl n GLY 125 N 1.56 0.98 3.72 2.66 0.00 -1.25 -5.02 105.19 107.83 1yrl n GLY 125 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1yrl n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl s ALA 126 N -3.91 1.26 0.01 4.61 0.00 -1.26 -4.76 121.76 117.72 1yrl s ALA 126 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1yrl s ALA 126 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1yrl s ALA 126 CO 0.00 -2.64 -0.25 0.00 0.00 0.00 0.00 175.76 172.87 1yrl s ALA 127 N -3.10 2.09 -0.15 0.00 0.00 0.15 -1.53 121.76 119.22 1yrl s ALA 127 Ca 0.65 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1yrl s ALA 127 Cb -0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1yrl s ALA 127 CO 0.56 0.50 0.10 -1.17 0.00 0.00 0.00 175.76 175.75 1yrl s LEU 128 N -0.89 4.11 -0.14 0.00 2.96 0.24 -0.83 118.68 124.13 1yrl s LEU 128 Ca 0.10 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1yrl s LEU 128 Cb -0.10 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1yrl s LEU 128 CO 0.00 0.29 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.38 1yrl s GLY 129 N -0.31 1.56 0.13 7.98 0.00 0.13 -1.69 107.32 115.13 1yrl s GLY 129 Ca 0.10 -0.91 0.09 0.00 0.00 0.00 0.00 44.72 44.00 1yrl s GLY 129 CO 0.01 -0.11 -0.20 -0.19 0.00 0.00 0.00 173.10 172.62 1yrl s TYR 130 N 0.48 2.48 -0.22 1.90 1.51 -0.51 -0.32 117.35 122.68 1yrl s TYR 130 Ca -0.08 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1yrl s TYR 130 Cb -0.16 -1.31 -0.20 0.00 -0.11 0.00 0.00 41.96 40.18 1yrl s TYR 130 CO 0.04 0.39 -0.04 0.45 -1.11 0.00 0.00 175.55 175.28 1yrl n SER 131 N 0.76 1.58 -4.19 2.29 2.88 -1.26 -2.30 113.62 113.37 1yrl n SER 131 Ca -0.16 -0.04 -0.18 0.00 -1.33 0.00 0.00 58.87 57.17 1yrl n SER 131 Cb 0.53 -0.20 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 1yrl n SER 131 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1yrl s HIS 132 N -2.52 1.25 -0.39 0.66 5.65 -1.26 -4.08 115.29 114.59 1yrl s HIS 132 Ca -0.27 -0.51 0.10 0.00 0.25 0.00 0.00 55.06 54.63 1yrl s HIS 132 Cb 0.08 -0.69 0.64 0.00 -1.18 0.00 0.00 32.58 31.44 1yrl s HIS 132 CO 0.68 0.07 1.53 0.41 -0.65 0.00 0.00 174.74 176.79 1yrl n GLY 133 N 1.01 2.87 0.28 1.59 0.00 -1.26 -4.55 105.19 105.12 1yrl n GLY 133 Ca -0.19 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 1yrl n GLY 133 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1yrl h PHE 134 N 2.87 0.92 0.64 1.61 3.04 -1.96 -1.49 116.94 122.58 1yrl h PHE 134 Ca 0.07 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1yrl h PHE 134 Cb 1.80 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 40.00 1yrl h PHE 134 CO 0.94 0.63 -0.47 -0.97 -2.02 0.00 0.00 178.31 176.42 1yrl h ASN 135 N 0.94 -1.23 0.57 0.41 -0.00 -1.92 0.33 115.58 114.68 1yrl h ASN 135 Ca 0.24 0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.61 1yrl h ASN 135 Cb -0.00 0.38 -0.01 0.00 -0.00 0.00 0.00 38.32 38.68 1yrl h ASN 135 CO -0.04 -0.69 -0.45 0.40 -0.00 0.00 0.00 177.43 176.65 1yrl h ILE 136 N -1.07 0.00 0.07 2.57 1.08 -1.86 0.23 117.51 118.52 1yrl h ILE 136 Ca -0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1yrl h ILE 136 Cb 0.89 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1yrl h ILE 136 CO 0.03 0.00 -0.03 0.58 -0.69 0.00 0.00 178.15 178.04 1yrl h VAL 137 N -0.99 1.19 0.01 1.67 2.07 -1.31 -2.26 116.25 116.63 1yrl h VAL 137 Ca -0.07 -0.99 -0.19 0.00 0.82 0.00 0.00 66.70 66.27 1yrl h VAL 137 Cb 0.83 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1yrl h VAL 137 CO 0.01 0.24 -1.02 -0.33 0.02 0.00 0.00 177.57 176.49 1yrl h GLU 138 N -0.55 0.02 0.00 1.57 4.39 -0.53 -2.27 114.58 117.20 1yrl h GLU 138 Ca -0.01 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1yrl h GLU 138 Cb 0.47 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1yrl h GLU 138 CO 0.02 1.01 -0.58 0.28 -1.16 0.00 0.00 179.01 178.58 1yrl h VAL 139 N -0.95 1.36 -2.03 3.13 2.07 -0.87 -3.28 116.25 115.67 1yrl h VAL 139 Ca -0.28 -2.01 -0.08 0.00 0.82 0.00 0.00 66.70 65.16 1yrl h VAL 139 Cb 1.27 2.10 0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1yrl h VAL 139 CO -0.15 0.56 -0.13 0.61 0.02 0.00 0.00 177.57 178.48 1yrl n GLY 140 N 0.23 0.62 3.73 2.17 0.00 0.75 -4.82 105.19 107.87 1yrl n GLY 140 Ca -0.01 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1yrl n GLY 140 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yrl n GLU 141 N -1.41 1.56 -3.75 1.61 4.07 -0.86 -4.92 120.64 116.93 1yrl n GLU 141 Ca -0.00 0.58 -0.38 0.00 -0.06 0.00 0.00 57.16 57.30 1yrl n GLU 141 Cb 0.51 -2.53 -0.12 0.00 -0.06 0.00 0.00 31.44 29.24 1yrl n GLU 141 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1yrl s GLN 142 N -2.92 2.86 -0.11 5.31 -1.52 -1.26 -4.82 119.66 117.20 1yrl s GLN 142 Ca 0.73 -1.02 -0.05 0.00 -1.95 0.00 0.00 55.36 53.08 1yrl s GLN 142 Cb -0.42 -3.42 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 1yrl s GLN 142 CO 0.48 -0.55 0.07 0.42 -0.25 0.00 0.00 175.29 175.46 1yrl s ILE 143 N 1.45 4.90 -0.36 1.08 1.09 -1.26 -5.02 121.20 123.08 1yrl s ILE 143 Ca 0.01 -0.02 -0.41 0.00 -1.10 0.00 0.00 60.65 59.13 1yrl s ILE 143 Cb -0.18 -3.12 -0.16 0.00 -1.06 0.00 0.00 42.46 37.94 1yrl s ILE 143 CO 0.03 0.59 1.87 -1.14 -0.10 0.00 0.00 174.94 176.20 1yrl n ARG 144 N 2.24 0.79 0.23 2.79 0.63 -1.26 -4.77 116.66 117.31 1yrl n ARG 144 Ca -0.19 0.27 0.03 0.00 -0.92 0.00 0.00 57.85 57.04 1yrl n ARG 144 Cb 0.54 -1.99 0.05 0.00 0.45 0.00 0.00 32.46 31.51 1yrl n ARG 144 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1yrl n LYS 145 N 6.08 0.02 0.01 -0.14 5.02 -1.26 0.18 118.16 128.06 1yrl n LYS 145 Ca 0.35 0.85 0.11 0.00 -2.02 0.00 0.00 58.31 57.60 1yrl n LYS 145 Cb 0.09 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 32.77 1yrl n LYS 145 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1yrl n ASP 146 N -2.38 0.71 -4.73 4.39 5.75 -1.26 -4.53 116.55 114.50 1yrl n ASP 146 Ca 0.03 -0.58 -0.41 0.00 -0.01 0.00 0.00 54.79 53.82 1yrl n ASP 146 Cb 0.96 0.99 -0.04 0.00 -1.03 0.00 0.00 41.12 42.00 1yrl n ASP 146 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1yrl s ILE 147 N -3.12 4.72 -0.18 2.12 1.01 0.47 -3.95 121.20 122.27 1yrl s ILE 147 Ca 0.05 1.86 -0.21 0.00 0.00 0.00 0.00 60.65 62.35 1yrl s ILE 147 Cb 0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1yrl s ILE 147 CO 0.84 0.29 0.65 -0.89 0.00 0.00 0.00 174.94 175.82 1yrl s THR 148 N 0.31 5.02 -0.21 2.92 2.01 -0.58 -4.59 115.64 120.52 1yrl s THR 148 Ca 0.44 1.24 -0.08 0.00 0.31 0.00 0.00 61.69 63.61 1yrl s THR 148 Cb -0.21 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1yrl s THR 148 CO 0.26 0.13 0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 1yrl s VAL 149 N 1.77 4.72 0.26 3.82 1.01 -0.59 0.81 120.40 132.21 1yrl s VAL 149 Ca 0.30 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1yrl s VAL 149 Cb -0.16 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1yrl s VAL 149 CO 0.11 0.41 0.11 0.68 0.00 0.00 0.00 175.10 176.42 1yrl s VAL 150 N 0.81 0.45 -0.10 2.92 -7.23 -0.68 -2.01 120.40 114.56 1yrl s VAL 150 Ca 0.04 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 1yrl s VAL 150 Cb -0.13 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1yrl s VAL 150 CO 0.02 0.00 0.25 -0.32 -0.31 0.00 0.00 175.10 174.74 1yrl s MET 151 N -4.00 0.27 -0.18 4.82 1.75 0.14 -1.42 119.30 120.68 1yrl s MET 151 Ca 0.37 0.41 -0.03 0.00 -1.25 0.00 0.00 55.69 55.19 1yrl s MET 151 Cb 0.07 0.06 0.06 0.00 2.84 0.00 0.00 34.83 37.85 1yrl s MET 151 CO 0.14 -0.08 0.05 0.08 -0.65 0.00 0.00 175.02 174.56 1yrl s VAL 152 N 0.51 0.37 -0.25 10.11 1.01 -0.97 -0.93 120.40 130.24 1yrl s VAL 152 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1yrl s VAL 152 Cb -0.05 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.52 1yrl s VAL 152 CO -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 175.10 174.87 1yrl s ALA 153 N 1.93 1.95 0.47 5.51 0.00 -0.11 -4.52 121.76 126.99 1yrl s ALA 153 Ca 0.00 -1.49 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 1yrl s ALA 153 Cb -0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.37 1yrl s ALA 153 CO -0.08 -1.31 1.07 -2.14 0.00 0.00 0.00 175.76 173.30 1yrl s PRO 154 N 1.40 3.82 -1.13 0.00 0.02 -1.26 -1.50 135.00 136.34 1yrl s PRO 154 Ca -0.02 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.33 1yrl s PRO 154 Cb -0.19 -2.24 0.12 0.00 0.02 0.00 0.00 34.50 32.22 1yrl s PRO 154 CO -0.09 -0.44 1.44 0.15 -0.33 0.00 0.00 177.00 177.73 1yrl s LYS 155 N -2.98 3.87 -0.30 5.54 -0.14 0.25 -4.87 119.74 121.11 1yrl s LYS 155 Ca 0.65 -2.02 -0.17 0.00 -1.36 0.00 0.00 55.97 53.07 1yrl s LYS 155 Cb -0.21 -5.19 0.18 0.00 -1.68 0.00 0.00 37.83 30.94 1yrl s LYS 155 CO 0.25 -1.95 1.14 0.00 -0.76 0.00 0.00 175.35 174.02 1yrl h PRO 157 N 7.33 0.00 0.00 0.00 0.13 -1.92 -3.44 132.00 134.10 1yrl h PRO 157 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1yrl h PRO 157 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1yrl h PRO 157 CO 0.06 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.24 1yrl n GLY 158 N -0.76 2.83 0.45 1.56 0.00 -1.26 -4.67 105.19 103.34 1yrl n GLY 158 Ca -0.01 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1yrl n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yrl n THR 159 N 0.00 2.08 0.57 2.61 -2.24 -1.26 -4.69 114.28 111.36 1yrl n THR 159 Ca 0.00 -2.19 0.05 0.00 -2.27 0.00 0.00 64.05 59.64 1yrl n THR 159 Cb 0.00 -0.25 0.28 0.00 -2.10 0.00 0.00 70.33 68.26 1yrl n THR 159 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1yrl n GLU 160 N -1.07 0.26 -0.01 -0.78 0.00 -1.26 -2.31 120.64 115.47 1yrl n GLU 160 Ca 0.19 0.06 -0.17 0.00 0.00 0.00 0.00 57.16 57.25 1yrl n GLU 160 Cb 0.76 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.58 1yrl n GLU 160 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1yrl h VAL 161 N 0.00 1.46 -0.27 3.84 3.04 -1.94 -1.33 116.25 121.06 1yrl h VAL 161 Ca 0.00 -2.04 -0.15 0.00 -1.01 0.00 0.00 66.70 63.50 1yrl h VAL 161 Cb 0.03 2.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.96 1yrl h VAL 161 CO 0.00 0.58 -0.42 -0.09 -1.01 0.00 0.00 177.57 176.63 1yrl h ARG 162 N -0.23 0.75 0.15 4.17 9.65 -1.68 -2.01 114.38 125.19 1yrl h ARG 162 Ca -0.06 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1yrl h ARG 162 Cb 1.22 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1yrl h ARG 162 CO 0.10 1.08 -0.13 0.93 2.80 0.00 0.00 179.97 184.75 1yrl h GLU 163 N 0.50 -0.28 -0.25 0.20 5.08 -1.61 -1.70 114.58 116.51 1yrl h GLU 163 Ca 0.02 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1yrl h GLU 163 Cb 1.02 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1yrl h GLU 163 CO 0.10 -0.19 0.12 0.93 -1.00 0.00 0.00 179.01 178.97 1yrl h GLU 164 N -0.29 0.34 -0.91 2.33 4.39 -1.27 -1.43 114.58 117.73 1yrl h GLU 164 Ca -0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1yrl h GLU 164 Cb 0.27 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 1yrl h GLU 164 CO -0.02 0.27 0.51 -0.92 -1.16 0.00 0.00 179.01 177.69 1yrl h TYR 165 N 0.35 1.24 -0.70 4.33 3.20 -0.56 -1.02 116.97 123.80 1yrl h TYR 165 Ca 0.09 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1yrl h TYR 165 Cb 0.04 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.87 1yrl h TYR 165 CO 0.00 0.85 0.36 0.87 -1.64 0.00 0.00 178.16 178.60 1yrl h LYS 166 N 1.28 1.00 0.00 1.82 1.57 -0.41 -1.23 116.57 120.59 1yrl h LYS 166 Ca 0.32 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1yrl h LYS 166 Cb 0.01 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1yrl h LYS 166 CO -0.05 0.77 0.00 0.54 -0.57 0.00 0.00 179.45 180.13 1yrl n ARG 167 N -4.46 0.43 -0.99 3.15 1.74 -0.91 -4.75 116.66 110.86 1yrl n ARG 167 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1yrl n ARG 167 Cb 0.11 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1yrl n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yrl n GLY 168 N -0.09 0.67 0.00 -0.13 0.00 -0.47 -4.99 105.19 100.18 1yrl n GLY 168 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1yrl n GLY 168 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yrl n PHE 169 N -2.59 0.00 -3.83 1.61 7.35 -0.43 -5.00 117.46 114.56 1yrl n PHE 169 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1yrl n PHE 169 Cb 0.01 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.87 1yrl n PHE 169 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1yrl s GLY 170 N -0.88 0.35 0.09 7.13 0.00 -1.24 -1.96 107.32 110.81 1yrl s GLY 170 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 1yrl s GLY 170 CO 0.00 0.48 0.29 -1.34 0.00 0.00 0.00 173.10 172.53 1yrl s VAL 171 N -2.10 5.28 0.39 1.40 -7.23 -1.26 -4.21 120.40 112.67 1yrl s VAL 171 Ca 0.18 -0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 59.94 1yrl s VAL 171 Cb -0.04 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 1yrl s VAL 171 CO 0.10 0.11 1.35 -2.16 -0.31 0.00 0.00 175.10 174.20 1yrl s PRO 172 N -2.51 4.03 0.07 4.82 0.04 -1.26 -4.39 135.00 135.80 1yrl s PRO 172 Ca 0.37 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.71 1yrl s PRO 172 Cb -0.13 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1yrl s PRO 172 CO 0.25 -0.49 -0.08 0.95 0.04 0.00 0.00 177.00 177.68 1yrl s THR 173 N -1.20 0.68 -0.08 1.26 -4.23 0.52 -0.58 115.64 112.01 1yrl s THR 173 Ca 0.55 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1yrl s THR 173 Cb -0.41 -1.11 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 1yrl s THR 173 CO 0.53 -0.57 0.01 -0.22 -0.54 0.00 0.00 174.62 173.84 1yrl s LEU 174 N -2.22 3.64 0.07 4.79 0.20 -0.56 0.11 118.68 124.71 1yrl s LEU 174 Ca 0.00 0.15 0.05 0.00 0.69 0.00 0.00 54.13 55.02 1yrl s LEU 174 Cb -0.04 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1yrl s LEU 174 CO -0.01 0.37 -0.13 0.27 -0.29 0.00 0.00 176.35 176.55 1yrl s ILE 175 N -0.93 1.03 0.09 6.68 -4.36 0.00 -0.93 121.20 122.79 1yrl s ILE 175 Ca 0.14 -1.32 -0.24 0.00 -0.26 0.00 0.00 60.65 58.98 1yrl s ILE 175 Cb -0.11 -1.05 0.06 0.00 1.25 0.00 0.00 42.46 42.61 1yrl s ILE 175 CO 0.04 -0.28 0.59 0.00 0.24 0.00 0.00 174.94 175.52 1yrl s ALA 176 N -1.41 -1.54 -0.11 2.27 0.00 -0.11 -1.10 121.76 119.77 1yrl s ALA 176 Ca -0.02 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 1yrl s ALA 176 Cb -0.09 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.66 1yrl s ALA 176 CO 0.02 -0.63 0.02 0.54 0.00 0.00 0.00 175.76 175.71 1yrl s VAL 177 N -2.96 0.39 0.02 0.00 0.11 -1.26 0.24 120.40 116.93 1yrl s VAL 177 Ca -0.03 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.64 1yrl s VAL 177 Cb -0.01 -0.67 -0.10 0.00 -1.53 0.00 0.00 36.38 34.08 1yrl s VAL 177 CO -0.06 0.10 1.94 1.57 -3.33 0.00 0.00 175.10 175.33 1yrl n HIS 178 N 5.13 2.48 -0.09 1.54 -0.00 -0.85 -4.89 115.22 118.54 1yrl n HIS 178 Ca -0.08 -0.28 -0.06 0.00 0.46 0.00 0.00 57.72 57.77 1yrl n HIS 178 Cb 0.49 -2.77 0.01 0.00 -0.12 0.00 0.00 29.99 27.60 1yrl n HIS 178 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1yrl h PRO 179 N 10.10 0.08 -0.01 1.57 0.11 -2.00 -1.77 132.00 140.09 1yrl h PRO 179 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1yrl h PRO 179 Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yrl h PRO 179 CO 0.94 0.05 0.52 0.93 -0.21 0.00 0.00 178.00 180.23 1yrl h GLU 180 N 0.08 0.00 -2.08 1.05 4.39 -1.98 -2.87 114.58 113.17 1yrl h GLU 180 Ca 0.16 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.34 1yrl h GLU 180 Cb 0.21 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.46 1yrl h GLU 180 CO -0.27 0.00 -0.99 0.09 -1.16 0.00 0.00 179.01 176.68 1yrl n ASN 181 N -2.79 2.22 -2.83 1.42 4.13 -0.67 -4.90 115.26 111.84 1yrl n ASN 181 Ca -0.01 -3.26 -0.23 0.00 1.68 0.00 0.00 54.58 52.76 1yrl n ASN 181 Cb 0.55 -0.59 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 1yrl n ASN 181 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1yrl n ASP 182 N 0.07 3.48 0.00 6.41 4.64 -1.09 -1.54 116.55 128.53 1yrl n ASP 182 Ca 0.27 -3.45 0.00 0.00 -1.38 0.00 0.00 54.79 50.23 1yrl n ASP 182 Cb 0.56 -0.54 0.00 0.00 -1.04 0.00 0.00 41.12 40.10 1yrl n ASP 182 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1yrl n PRO 183 N -0.19 0.00 -0.15 -0.67 -0.02 -1.26 -1.53 135.00 131.19 1yrl n PRO 183 Ca 0.29 0.79 0.04 0.00 -2.02 0.00 0.00 63.50 62.60 1yrl n PRO 183 Cb 0.57 -1.23 0.12 0.00 -0.02 0.00 0.00 33.50 32.94 1yrl n PRO 183 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1yrl n LYS 184 N -2.46 1.66 -3.76 -0.52 5.02 -1.26 -4.91 118.16 111.92 1yrl n LYS 184 Ca 0.00 -0.94 -0.24 0.00 -2.02 0.00 0.00 58.31 55.11 1yrl n LYS 184 Cb 0.00 -1.24 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1yrl n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yrl n GLY 185 N 0.86 -0.36 0.44 0.72 0.00 -0.58 -4.88 105.19 101.39 1yrl n GLY 185 Ca 0.09 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.32 1yrl n GLY 185 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yrl n GLU 186 N -4.42 1.02 -0.11 1.61 0.28 -1.26 -4.81 120.64 112.95 1yrl n GLU 186 Ca -0.19 -2.47 -0.11 0.00 -0.16 0.00 0.00 57.16 54.24 1yrl n GLU 186 Cb 0.63 -1.21 -0.03 0.00 1.43 0.00 0.00 31.44 32.26 1yrl n GLU 186 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1yrl h GLY 187 N 0.39 0.60 0.99 -1.84 0.00 -1.91 -2.70 103.07 98.60 1yrl h GLY 187 Ca -0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1yrl h GLY 187 CO 0.01 0.41 0.02 -0.33 0.00 0.00 0.00 176.54 176.65 1yrl h MET 188 N 0.35 0.83 -0.68 4.80 2.86 -1.95 -0.24 114.93 120.89 1yrl h MET 188 Ca 0.09 -0.25 0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1yrl h MET 188 Cb 0.46 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 1yrl h MET 188 CO 0.02 0.86 0.33 0.00 1.06 0.00 0.00 176.91 179.19 1yrl h ALA 189 N 0.93 0.93 -0.05 6.32 0.00 -1.90 0.20 119.26 125.70 1yrl h ALA 189 Ca 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1yrl h ALA 189 Cb 0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yrl h ALA 189 CO 0.02 -0.06 -0.05 0.82 0.00 0.00 0.00 179.25 179.98 1yrl h ILE 190 N 0.58 1.38 0.00 0.00 2.04 -1.32 -2.04 117.51 118.15 1yrl h ILE 190 Ca 0.33 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1yrl h ILE 190 Cb 0.34 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 1yrl h ILE 190 CO -0.26 0.33 -0.50 0.00 0.00 0.00 0.00 178.15 177.72 1yrl h ALA 191 N 0.54 -0.85 -0.54 1.87 0.00 -0.38 0.47 119.26 120.35 1yrl h ALA 191 Ca 0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1yrl h ALA 191 Cb 0.56 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1yrl h ALA 191 CO 0.01 -1.06 0.26 0.87 0.00 0.00 0.00 179.25 179.33 1yrl h LYS 192 N -0.65 0.48 -0.02 0.00 1.57 -0.71 0.22 116.57 117.47 1yrl h LYS 192 Ca 0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1yrl h LYS 192 Cb 0.71 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1yrl h LYS 192 CO -0.35 0.32 -0.11 0.00 -0.57 0.00 0.00 179.45 178.74 1yrl h ALA 193 N 1.31 -0.11 -0.37 3.86 0.00 -0.63 0.21 119.26 123.53 1yrl h ALA 193 Ca 0.25 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1yrl h ALA 193 Cb 0.19 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1yrl h ALA 193 CO -0.19 -0.60 0.21 2.35 0.00 0.00 0.00 179.25 181.02 1yrl h TRP 194 N -0.18 0.39 -0.03 0.00 7.01 0.45 -1.04 115.95 122.54 1yrl h TRP 194 Ca 0.05 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1yrl h TRP 194 Cb 0.24 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1yrl h TRP 194 CO -0.18 0.22 0.00 0.00 -2.79 0.00 0.00 178.44 175.69 1yrl h ALA 195 N 1.17 0.03 -0.40 2.65 0.00 -0.20 -2.68 119.26 119.82 1yrl h ALA 195 Ca 0.15 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1yrl h ALA 195 Cb 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1yrl h ALA 195 CO -0.08 -0.49 0.06 0.00 0.00 0.00 0.00 179.25 178.75 1yrl h ALA 196 N 1.02 0.42 -0.83 0.00 0.00 -0.33 -0.36 119.26 119.19 1yrl h ALA 196 Ca 0.01 0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1yrl h ALA 196 Cb 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1yrl h ALA 196 CO -0.02 -0.34 0.58 0.00 0.00 0.00 0.00 179.25 179.46 1yrl h ALA 197 N 1.32 2.55 -0.01 0.00 0.00 -0.89 0.82 119.26 123.05 1yrl h ALA 197 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1yrl h ALA 197 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yrl h ALA 197 CO -0.27 -0.80 -0.01 0.25 0.00 0.00 0.00 179.25 178.42 1yrl n THR 198 N -4.38 0.00 -0.58 0.00 -2.24 -0.19 -3.18 114.28 103.71 1yrl n THR 198 Ca 0.17 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1yrl n THR 198 Cb 0.80 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1yrl n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yrl n GLY 199 N 1.14 1.19 0.39 3.38 0.00 0.28 -4.81 105.19 106.77 1yrl n GLY 199 Ca 0.20 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.43 1yrl n GLY 199 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yrl h GLY 200 N 0.00 1.32 2.00 -0.02 0.00 -1.59 0.19 103.07 104.97 1yrl h GLY 200 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1yrl h GLY 200 CO 0.00 -0.13 0.00 -2.39 0.00 0.00 0.00 176.54 174.02 1yrl n HIS 201 N -4.66 0.69 0.02 5.60 1.44 -1.26 -0.46 115.22 116.58 1yrl n HIS 201 Ca 0.25 0.32 -0.19 0.00 -2.01 0.00 0.00 57.72 56.09 1yrl n HIS 201 Cb 0.82 -1.02 -0.10 0.00 0.12 0.00 0.00 29.99 29.82 1yrl n HIS 201 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yrl h ARG 202 N 0.00 0.60 0.02 -1.40 3.08 -0.96 -3.36 114.38 112.36 1yrl h ARG 202 Ca 0.00 -0.61 -0.16 0.00 0.07 0.00 0.00 59.98 59.28 1yrl h ARG 202 Cb 0.15 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1yrl h ARG 202 CO 0.00 1.22 -0.86 0.00 -1.07 0.00 0.00 179.97 179.26 1yrl h ALA 203 N 0.40 0.16 0.00 0.04 0.00 -1.54 -3.39 119.26 114.93 1yrl h ALA 203 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1yrl h ALA 203 Cb 1.49 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1yrl h ALA 203 CO 0.16 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1yrl n GLY 204 N 1.55 4.31 3.36 0.00 0.00 0.39 -4.51 105.19 110.28 1yrl n GLY 204 Ca -0.23 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1yrl n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrl s VAL 205 N -0.74 2.84 -0.30 1.61 1.01 -1.26 -0.35 120.40 123.22 1yrl s VAL 205 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1yrl s VAL 205 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1yrl s VAL 205 CO 0.00 0.54 0.22 -0.76 0.00 0.00 0.00 175.10 175.10 1yrl s LEU 206 N 0.16 4.18 -0.78 3.92 1.43 0.31 -1.42 118.68 126.48 1yrl s LEU 206 Ca -0.09 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 1yrl s LEU 206 Cb -0.15 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 43.98 1yrl s LEU 206 CO 0.05 -0.12 1.18 -0.70 0.23 0.00 0.00 176.35 177.00 1yrl s GLU 207 N 1.77 3.27 0.00 1.70 2.12 0.63 -0.82 118.70 127.37 1yrl s GLU 207 Ca 0.07 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1yrl s GLU 207 Cb -0.16 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.76 1yrl s GLU 207 CO 0.11 -2.01 0.00 0.45 -0.54 0.00 0.00 175.26 173.27 1yrl n SER 208 N 8.43 0.00 -4.12 -1.70 2.88 -0.26 -1.73 113.62 117.12 1yrl n SER 208 Ca 0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.51 1yrl n SER 208 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 1yrl n SER 208 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1yrl s SER 209 N 0.59 0.08 0.21 -3.46 1.04 -1.24 -4.48 113.70 106.44 1yrl s SER 209 Ca 0.00 -1.21 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 1yrl s SER 209 Cb 0.00 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.70 1yrl s SER 209 CO 0.00 -0.93 1.69 -0.26 0.98 0.00 0.00 173.24 174.72 1yrl h PHE 210 N 2.52 1.10 -0.23 5.02 -1.00 -1.92 -1.78 116.94 120.66 1yrl h PHE 210 Ca -0.33 -0.17 -0.14 0.00 2.81 0.00 0.00 57.97 60.14 1yrl h PHE 210 Cb 1.25 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1yrl h PHE 210 CO 0.37 0.96 -0.40 0.28 -1.61 0.00 0.00 178.31 177.91 1yrl h VAL 211 N 0.95 1.31 -0.61 -0.55 2.07 -1.92 -2.00 116.25 115.50 1yrl h VAL 211 Ca 0.18 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.00 1yrl h VAL 211 Cb 0.50 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1yrl h VAL 211 CO 0.02 0.51 0.06 0.00 0.02 0.00 0.00 177.57 178.18 1yrl h ALA 212 N 0.63 0.81 -0.53 1.67 0.00 -1.69 -2.43 119.26 117.72 1yrl h ALA 212 Ca 0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1yrl h ALA 212 Cb 1.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1yrl h ALA 212 CO 0.09 0.60 0.09 1.49 0.00 0.00 0.00 179.25 181.52 1yrl h GLU 213 N 0.93 0.86 0.01 0.00 4.22 -1.32 -2.90 114.58 116.38 1yrl h GLU 213 Ca 0.18 -0.23 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1yrl h GLU 213 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1yrl h GLU 213 CO 0.02 0.84 -0.00 0.28 -2.18 0.00 0.00 179.01 177.97 1yrl h VAL 214 N 0.75 1.34 -0.09 0.32 2.07 -1.21 -1.55 116.25 117.87 1yrl h VAL 214 Ca 0.16 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1yrl h VAL 214 Cb 0.39 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1yrl h VAL 214 CO 0.01 0.26 0.04 0.11 0.02 0.00 0.00 177.57 178.02 1yrl h LYS 215 N -0.45 0.14 -0.32 1.57 6.56 -1.53 -1.11 116.57 121.43 1yrl h LYS 215 Ca -0.00 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 1yrl h LYS 215 Cb 0.44 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1yrl h LYS 215 CO 0.00 0.22 0.04 0.66 -2.06 0.00 0.00 179.45 178.31 1yrl h SER 216 N 0.02 0.51 -0.10 0.86 4.64 -1.62 -1.42 113.55 116.45 1yrl h SER 216 Ca 0.03 -0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1yrl h SER 216 Cb 0.13 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1yrl h SER 216 CO -0.00 0.66 -0.11 -0.78 -0.87 0.00 0.00 176.83 175.72 1yrl h ASP 217 N 0.35 -0.35 -0.69 4.97 1.82 -1.21 0.19 116.42 121.49 1yrl h ASP 217 Ca 0.09 0.07 0.04 0.00 -0.39 0.00 0.00 57.03 56.84 1yrl h ASP 217 Cb 0.37 0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.51 1yrl h ASP 217 CO 0.01 -0.16 0.43 -0.07 -1.61 0.00 0.00 179.24 177.84 1yrl h LEU 218 N -0.15 0.69 0.22 2.28 3.38 -1.13 -2.01 115.31 118.59 1yrl h LEU 218 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1yrl h LEU 218 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1yrl h LEU 218 CO -0.19 0.47 -0.12 -0.03 0.09 0.00 0.00 178.44 178.67 1yrl h MET 219 N 0.82 -0.30 0.18 1.13 4.05 -0.31 -2.34 114.93 118.16 1yrl h MET 219 Ca 0.28 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.72 1yrl h MET 219 Cb 0.05 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1yrl h MET 219 CO -0.12 -0.20 -0.15 0.78 0.23 0.00 0.00 176.91 177.45 1yrl h GLY 220 N -0.32 -0.76 -0.43 1.39 0.00 -0.43 -1.27 103.07 101.27 1yrl h GLY 220 Ca -0.03 0.33 0.21 0.00 0.00 0.00 0.00 47.33 47.85 1yrl h GLY 220 CO 0.04 -0.26 0.15 1.05 0.00 0.00 0.00 176.54 177.52 1yrl h GLU 221 N -0.32 0.17 0.00 4.80 4.11 -1.43 -0.96 114.58 120.94 1yrl h GLU 221 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1yrl h GLU 221 Cb 0.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1yrl h GLU 221 CO 0.00 0.11 -0.38 0.00 0.07 0.00 0.00 179.01 178.81 1yrl n GLN 222 N -5.27 0.01 -0.07 1.06 10.64 -0.88 -1.94 117.38 120.92 1yrl n GLN 222 Ca 0.19 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.27 1yrl n GLN 222 Cb 0.61 -1.51 -0.08 0.00 -0.86 0.00 0.00 30.24 28.40 1yrl n GLN 222 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1yrl n THR 223 N -1.52 0.89 0.00 -0.39 5.66 -0.48 -3.75 114.28 114.69 1yrl n THR 223 Ca 0.06 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1yrl n THR 223 Cb 0.34 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 1yrl n THR 223 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yrl n ILE 224 N -2.77 0.00 0.05 1.09 0.00 -0.47 -2.72 119.36 114.54 1yrl n ILE 224 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 62.75 62.46 1yrl n ILE 224 Cb 0.84 0.00 0.19 0.00 0.00 0.00 0.00 39.64 40.67 1yrl n ILE 224 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1yrl h LEU 225 N 0.00 0.39 0.00 9.51 3.38 -1.49 -3.36 115.31 123.74 1yrl h LEU 225 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1yrl h LEU 225 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1yrl h LEU 225 CO 0.00 0.73 -0.24 0.00 0.09 0.00 0.00 178.44 179.02 1yrl h GLY 227 N 0.00 -0.16 1.20 0.00 0.00 -1.58 -0.41 103.07 102.12 1yrl h GLY 227 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1yrl h GLY 227 CO 0.00 -0.17 0.21 -0.33 0.00 0.00 0.00 176.54 176.24 1yrl h MET 228 N -0.25 1.01 -0.21 4.80 2.86 -1.66 -2.61 114.93 118.87 1yrl h MET 228 Ca 0.09 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1yrl h MET 228 Cb 0.38 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1yrl h MET 228 CO -0.25 0.86 -0.38 -0.07 1.06 0.00 0.00 176.91 178.12 1yrl h LEU 229 N 0.97 0.49 0.37 1.22 4.07 -1.62 0.10 115.31 120.92 1yrl h LEU 229 Ca 0.22 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1yrl h LEU 229 Cb 0.27 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1yrl h LEU 229 CO -0.01 0.83 -0.18 -0.61 -1.08 0.00 0.00 178.44 177.39 1yrl h GLN 230 N 0.39 -0.48 -1.00 1.13 4.15 -0.94 -1.91 115.11 116.46 1yrl h GLN 230 Ca 0.04 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.63 1yrl h GLN 230 Cb 0.85 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.56 1yrl h GLN 230 CO 0.07 -0.27 0.63 0.00 -1.93 0.00 0.00 178.83 177.33 1yrl h ALA 231 N -1.01 1.58 -0.42 3.38 0.00 -1.53 -0.63 119.26 120.64 1yrl h ALA 231 Ca -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1yrl h ALA 231 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1yrl h ALA 231 CO 0.08 0.15 -0.08 0.78 0.00 0.00 0.00 179.25 180.19 1yrl h GLY 232 N 0.93 0.78 0.74 0.00 0.00 -0.85 -0.98 103.07 103.68 1yrl h GLY 232 Ca 0.51 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1yrl h GLY 232 CO -0.28 0.51 -0.13 1.76 0.00 0.00 0.00 176.54 178.40 1yrl h SER 233 N 0.66 0.36 0.54 0.19 0.02 -0.32 -0.63 113.55 114.36 1yrl h SER 233 Ca 0.12 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1yrl h SER 233 Cb 0.53 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1yrl h SER 233 CO 0.03 0.75 0.00 0.18 -1.14 0.00 0.00 176.83 176.65 1yrl n LEU 234 N -4.58 0.00 -0.12 5.07 4.77 -0.43 -1.74 117.00 119.98 1yrl n LEU 234 Ca -0.06 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1yrl n LEU 234 Cb 0.35 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1yrl n LEU 234 CO 0.39 -0.14 -1.25 0.18 -1.33 0.00 0.00 177.39 175.23 1yrl n LEU 235 N -1.41 2.45 -0.01 2.23 4.77 -0.38 -3.89 117.00 120.77 1yrl n LEU 235 Ca 0.07 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1yrl n LEU 235 Cb 0.20 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1yrl n LEU 235 CO 0.17 0.83 0.48 0.00 -1.33 0.00 0.00 177.39 177.54 1yrl h PHE 237 N -0.76 -1.33 -0.96 0.00 3.57 -1.56 0.17 116.94 116.08 1yrl h PHE 237 Ca -0.01 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.77 1yrl h PHE 237 Cb 0.64 0.56 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 1yrl h PHE 237 CO 0.14 -0.57 0.65 -0.44 -2.23 0.00 0.00 178.31 175.87 1yrl h ASP 238 N -0.75 0.24 0.02 0.41 5.19 -1.67 -0.96 116.42 118.89 1yrl h ASP 238 Ca -0.00 0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 1yrl h ASP 238 Cb 0.74 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.25 1yrl h ASP 238 CO -0.22 0.07 -0.52 0.50 -3.12 0.00 0.00 179.24 175.95 1yrl h LYS 239 N 0.23 0.32 -0.90 3.56 1.63 -0.79 -2.20 116.57 118.43 1yrl h LYS 239 Ca 0.49 -0.37 0.10 0.00 -0.85 0.00 0.00 60.65 60.03 1yrl h LYS 239 Cb 1.54 0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 33.20 1yrl h LYS 239 CO -0.13 1.07 0.53 -0.07 -3.45 0.00 0.00 179.45 177.41 1yrl h LEU 240 N -0.27 0.77 -0.19 5.20 3.38 0.53 -0.81 115.31 123.92 1yrl h LEU 240 Ca -0.07 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1yrl h LEU 240 Cb 1.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1yrl h LEU 240 CO 0.10 0.43 -0.03 0.58 0.09 0.00 0.00 178.44 179.61 1yrl h VAL 241 N 0.87 1.28 -0.04 1.22 2.07 -1.25 -2.55 116.25 117.84 1yrl h VAL 241 Ca 0.44 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1yrl h VAL 241 Cb 0.41 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1yrl h VAL 241 CO -0.26 0.30 0.05 -0.08 0.02 0.00 0.00 177.57 177.61 1yrl h GLU 242 N 0.09 0.00 -2.45 1.57 4.81 -0.67 -2.90 114.58 115.04 1yrl h GLU 242 Ca 0.05 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.60 1yrl h GLU 242 Cb 0.46 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 29.48 1yrl h GLU 242 CO 0.02 0.00 -0.01 0.39 -0.73 0.00 0.00 179.01 178.67 1yrl n GLU 243 N -3.65 3.48 0.00 1.92 -0.58 -0.39 -5.03 120.64 116.40 1yrl n GLU 243 Ca -0.02 -4.66 0.00 0.00 -0.42 0.00 0.00 57.16 52.06 1yrl n GLU 243 Cb 0.14 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 28.65 1yrl n GLU 243 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yrl n GLY 244 N 0.81 4.17 1.72 0.62 0.00 -1.10 -4.87 105.19 106.55 1yrl n GLY 244 Ca 0.30 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1yrl n GLY 244 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yrl n THR 245 N 0.00 -4.87 -1.78 2.61 -1.04 -1.24 -4.11 114.28 103.84 1yrl n THR 245 Ca 0.00 1.27 -0.43 0.00 -2.04 0.00 0.00 64.05 62.85 1yrl n THR 245 Cb 0.00 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.19 1yrl n THR 245 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1yrl s ASP 246 N -0.28 5.85 0.39 8.00 2.15 -1.26 -4.56 116.67 126.96 1yrl s ASP 246 Ca 0.00 1.85 0.22 0.00 0.43 0.00 0.00 52.55 55.05 1yrl s ASP 246 Cb 0.00 -2.52 1.27 0.00 -0.30 0.00 0.00 42.92 41.37 1yrl s ASP 246 CO 0.00 -1.65 1.64 1.55 -0.17 0.00 0.00 175.17 176.54 1yrl h PRO 247 N 13.19 0.17 -0.67 4.34 0.13 -1.94 1.18 132.00 148.40 1yrl h PRO 247 Ca -0.40 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1yrl h PRO 247 Cb 1.21 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1yrl h PRO 247 CO 0.98 0.11 0.34 0.00 -0.23 0.00 0.00 178.00 179.21 1yrl h ALA 248 N 1.75 0.87 -0.18 -0.56 0.00 -1.88 -0.27 119.26 118.99 1yrl h ALA 248 Ca 0.78 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.48 1yrl h ALA 248 Cb 2.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1yrl h ALA 248 CO -0.53 0.41 -0.22 -0.92 0.00 0.00 0.00 179.25 177.99 1yrl h TYR 249 N 0.93 0.56 0.00 0.00 3.20 0.92 0.12 116.97 122.70 1yrl h TYR 249 Ca 0.23 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1yrl h TYR 249 Cb 0.08 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1yrl h TYR 249 CO -0.00 0.85 -0.03 0.00 -1.64 0.00 0.00 178.16 177.34 1yrl h ALA 250 N 0.61 -0.54 -1.32 1.82 0.00 -0.07 -1.26 119.26 118.50 1yrl h ALA 250 Ca 0.02 -0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.33 1yrl h ALA 250 Cb 0.77 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1yrl h ALA 250 CO 0.05 -0.55 0.89 1.05 0.00 0.00 0.00 179.25 180.69 1yrl h GLU 251 N -0.04 0.12 -0.53 0.00 -0.00 -1.17 1.13 114.58 114.10 1yrl h GLU 251 Ca 0.00 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.36 59.23 1yrl h GLU 251 Cb 0.04 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.75 1yrl h GLU 251 CO -0.02 0.08 -0.15 -0.22 -0.00 0.00 0.00 179.01 178.70 1yrl h LYS 252 N 0.13 1.03 -0.12 1.06 1.63 -1.11 0.37 116.57 119.57 1yrl h LYS 252 Ca 0.74 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 60.11 1yrl h LYS 252 Cb 2.45 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 34.02 1yrl h LYS 252 CO -0.27 1.10 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.73 1yrl h LEU 253 N 0.91 0.22 -0.44 5.20 3.38 0.23 -2.70 115.31 122.11 1yrl h LEU 253 Ca 0.13 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1yrl h LEU 253 Cb 0.73 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1yrl h LEU 253 CO 0.06 0.53 0.07 0.40 0.09 0.00 0.00 178.44 179.58 1yrl h ILE 254 N -0.09 1.25 -0.57 1.22 1.08 -1.11 0.41 117.51 119.70 1yrl h ILE 254 Ca 0.03 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.58 1yrl h ILE 254 Cb 0.43 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 1yrl h ILE 254 CO 0.01 0.31 0.27 -0.61 -0.69 0.00 0.00 178.15 177.45 1yrl h GLN 255 N 0.59 0.82 -0.01 2.37 4.15 -0.94 -3.21 115.11 118.88 1yrl h GLN 255 Ca 0.13 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1yrl h GLN 255 Cb 0.39 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1yrl h GLN 255 CO 0.01 0.67 -0.56 1.19 -1.93 0.00 0.00 178.83 178.21 1yrl n PHE 256 N -4.55 0.00 0.28 3.99 3.72 -1.02 -3.15 117.46 116.74 1yrl n PHE 256 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 1yrl n PHE 256 Cb 0.12 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1yrl n PHE 256 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1yrl h GLY 257 N 4.31 -0.75 -0.95 1.37 0.00 -0.17 -2.71 103.07 104.17 1yrl h GLY 257 Ca 0.00 0.28 0.27 0.00 0.00 0.00 0.00 47.33 47.88 1yrl h GLY 257 CO 0.00 -0.27 0.04 0.79 0.00 0.00 0.00 176.54 177.10 1yrl n TRP 258 N -4.17 0.63 -0.22 5.60 7.02 -1.26 0.71 117.44 125.76 1yrl n TRP 258 Ca -0.09 1.15 -0.07 0.00 -1.02 0.00 0.00 57.50 57.47 1yrl n TRP 258 Cb 0.28 -1.23 0.03 0.00 -2.42 0.00 0.00 31.31 27.98 1yrl n TRP 258 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1yrl h GLU 259 N 0.00 0.89 -0.22 -0.99 4.81 -1.78 -0.15 114.58 117.13 1yrl h GLU 259 Ca 0.59 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1yrl h GLU 259 Cb 1.23 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1yrl h GLU 259 CO -0.89 0.73 -0.07 1.15 -0.73 0.00 0.00 179.01 179.20 1yrl h THR 260 N 0.83 1.29 -0.22 0.32 2.02 0.63 -1.79 112.91 115.99 1yrl h THR 260 Ca 0.21 -1.09 -0.16 0.00 0.77 0.00 0.00 66.41 66.14 1yrl h THR 260 Cb 0.15 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1yrl h THR 260 CO -0.02 0.34 -0.51 0.16 0.37 0.00 0.00 175.52 175.85 1yrl h ILE 261 N 0.16 1.31 0.00 3.11 3.07 -1.26 -2.99 117.51 120.91 1yrl h ILE 261 Ca 0.05 -1.73 0.00 0.00 1.55 0.00 0.00 64.86 64.73 1yrl h ILE 261 Cb 0.54 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1yrl h ILE 261 CO 0.03 0.55 0.00 0.71 -1.05 0.00 0.00 178.15 178.38 1yrl h THR 262 N 0.48 0.00 -0.12 0.16 1.35 -0.97 -2.47 112.91 111.35 1yrl h THR 262 Ca 0.02 -0.38 -0.12 0.00 -0.55 0.00 0.00 66.41 65.38 1yrl h THR 262 Cb 1.06 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1yrl h THR 262 CO 0.10 0.00 -0.45 -0.08 -0.25 0.00 0.00 175.52 174.84 1yrl h GLU 263 N 0.00 0.28 -0.21 4.72 4.57 -1.17 0.15 114.58 122.93 1yrl h GLU 263 Ca 0.00 -0.14 -0.20 0.00 -1.18 0.00 0.00 59.36 57.84 1yrl h GLU 263 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1yrl h GLU 263 CO 0.00 0.68 -0.65 0.00 -1.18 0.00 0.00 179.01 177.86 1yrl h ALA 264 N 1.30 0.46 -0.93 2.92 0.00 -1.53 -1.99 119.26 119.49 1yrl h ALA 264 Ca 0.02 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1yrl h ALA 264 Cb 0.89 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1yrl h ALA 264 CO 0.07 0.69 0.60 1.25 0.00 0.00 0.00 179.25 181.87 1yrl h LEU 265 N 0.55 1.00 -0.61 0.00 5.85 -1.17 0.16 115.31 121.09 1yrl h LEU 265 Ca -0.01 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1yrl h LEU 265 Cb 1.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1yrl h LEU 265 CO 0.13 0.68 -0.24 0.50 -0.34 0.00 0.00 178.44 179.17 1yrl h LYS 266 N 1.16 0.84 0.00 1.25 3.64 -0.53 0.24 116.57 123.17 1yrl h LYS 266 Ca 0.37 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1yrl h LYS 266 Cb 0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1yrl h LYS 266 CO -0.13 0.99 -0.56 1.96 -2.27 0.00 0.00 179.45 179.45 1yrl h GLN 267 N 0.72 0.00 0.00 1.90 1.08 -0.50 -3.40 115.11 114.91 1yrl h GLN 267 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1yrl h GLN 267 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1yrl h GLN 267 CO 0.06 0.56 -0.05 0.41 -0.95 0.00 0.00 178.83 178.86 1yrl n GLY 268 N 0.60 0.56 6.29 3.46 0.00 -0.06 -5.06 105.19 110.98 1yrl n GLY 268 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yrl n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yrl n GLY 269 N 0.00 -2.05 0.36 -0.02 0.00 0.83 -3.26 105.19 101.06 1yrl n GLY 269 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 46.02 44.67 1yrl n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yrl h ILE 270 N -0.01 1.01 0.07 -0.61 2.04 -1.90 -1.91 117.51 116.20 1yrl h ILE 270 Ca 0.00 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1yrl h ILE 270 Cb 0.01 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1yrl h ILE 270 CO 0.00 0.17 -0.38 0.74 0.00 0.00 0.00 178.15 178.68 1yrl h THR 271 N 0.91 0.00 -0.65 -0.27 2.02 -1.87 -0.38 112.91 112.67 1yrl h THR 271 Ca 0.39 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.61 1yrl h THR 271 Cb 0.31 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1yrl h THR 271 CO -0.15 0.00 0.43 0.25 0.37 0.00 0.00 175.52 176.42 1yrl h LEU 272 N -0.52 0.65 -0.79 2.58 5.85 -1.46 -1.96 115.31 119.66 1yrl h LEU 272 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1yrl h LEU 272 Cb 0.53 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1yrl h LEU 272 CO -0.21 0.44 0.38 -0.03 -0.34 0.00 0.00 178.44 178.68 1yrl h MET 273 N 0.75 1.13 -0.04 1.25 4.05 -0.76 -2.55 114.93 118.77 1yrl h MET 273 Ca 0.26 -0.17 -0.14 0.00 -0.28 0.00 0.00 59.70 59.38 1yrl h MET 273 Cb 0.11 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1yrl h MET 273 CO -0.07 0.88 -0.60 0.52 0.23 0.00 0.00 176.91 177.87 1yrl h MET 274 N 1.11 0.13 0.00 0.39 2.86 -0.37 -3.03 114.93 116.03 1yrl h MET 274 Ca 0.27 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1yrl h MET 274 Cb 0.12 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1yrl h MET 274 CO -0.03 0.69 0.00 -0.25 1.06 0.00 0.00 176.91 178.38 1yrl n ASP 275 N -3.86 0.00 -0.02 1.22 10.43 -0.83 -2.28 116.55 121.22 1yrl n ASP 275 Ca -0.02 0.23 0.14 0.00 2.57 0.00 0.00 54.79 57.71 1yrl n ASP 275 Cb 0.61 -0.38 0.63 0.00 1.84 0.00 0.00 41.12 43.82 1yrl n ASP 275 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1yrl n ARG 276 N -1.38 0.25 -3.36 -1.24 5.12 -1.12 -4.83 116.66 110.10 1yrl n ARG 276 Ca 0.07 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.74 1yrl n ARG 276 Cb 0.19 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1yrl n ARG 276 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1yrl s LEU 277 N -2.78 3.92 0.37 0.55 1.43 -0.96 -4.86 118.68 116.35 1yrl s LEU 277 Ca 0.21 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.19 1yrl s LEU 277 Cb 0.19 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.31 1yrl s LEU 277 CO 0.51 -0.44 1.02 -0.94 0.23 0.00 0.00 176.35 176.72 1yrl s SER 278 N -4.13 6.98 0.27 2.29 1.04 -1.26 -4.69 113.70 114.19 1yrl s SER 278 Ca 0.44 1.98 -0.04 0.00 0.48 0.00 0.00 55.95 58.80 1yrl s SER 278 Cb -0.10 -2.58 0.53 0.00 0.10 0.00 0.00 66.02 63.97 1yrl s SER 278 CO 0.34 -0.33 1.62 0.78 0.98 0.00 0.00 173.24 176.63 1yrl h ASN 279 N 2.77 -0.39 0.26 7.02 2.35 -1.94 0.91 115.58 126.56 1yrl h ASN 279 Ca -0.48 0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 1yrl h ASN 279 Cb 1.21 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 39.95 1yrl h ASN 279 CO 0.63 -0.23 -0.41 1.55 -1.65 0.00 0.00 177.43 177.33 1yrl h PRO 280 N 0.08 0.20 0.58 0.81 0.13 -1.85 -2.12 132.00 129.83 1yrl h PRO 280 Ca 0.47 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.48 1yrl h PRO 280 Cb 0.87 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.01 1yrl h PRO 280 CO -0.75 0.58 -0.28 0.00 -0.23 0.00 0.00 178.00 177.32 1yrl h ALA 281 N 1.41 -0.78 -0.53 -0.56 0.00 0.32 -2.82 119.26 116.30 1yrl h ALA 281 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1yrl h ALA 281 Cb 0.80 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1yrl h ALA 281 CO 0.06 -0.87 -0.45 -0.22 0.00 0.00 0.00 179.25 177.78 1yrl h LYS 282 N -0.92 -0.25 -0.85 0.00 3.64 -0.09 -0.19 116.57 117.90 1yrl h LYS 282 Ca -0.08 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 1yrl h LYS 282 Cb 0.65 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.42 1yrl h LYS 282 CO 0.13 -0.17 0.40 -0.07 -2.27 0.00 0.00 179.45 177.47 1yrl h LEU 283 N -0.26 0.40 -0.52 5.20 3.38 -1.37 0.57 115.31 122.71 1yrl h LEU 283 Ca 0.16 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 1yrl h LEU 283 Cb 0.57 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1yrl h LEU 283 CO -0.66 0.11 -0.11 -0.09 0.09 0.00 0.00 178.44 177.78 1yrl h ARG 284 N 0.50 0.99 -0.51 1.13 9.65 -0.97 0.22 114.38 125.39 1yrl h ARG 284 Ca 0.50 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1yrl h ARG 284 Cb 0.82 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.31 1yrl h ARG 284 CO -0.44 1.05 0.33 0.00 2.80 0.00 0.00 179.97 183.71 1yrl h ALA 285 N 0.91 0.65 -0.51 2.80 0.00 0.88 0.28 119.26 124.26 1yrl h ALA 285 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yrl h ALA 285 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1yrl h ALA 285 CO 0.05 0.10 0.34 -0.92 0.00 0.00 0.00 179.25 178.82 1yrl h TYR 286 N 0.69 0.65 0.04 0.00 3.20 0.34 0.51 116.97 122.40 1yrl h TYR 286 Ca 0.19 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1yrl h TYR 286 Cb -0.06 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1yrl h TYR 286 CO -0.04 0.41 -0.09 0.00 -1.64 0.00 0.00 178.16 176.81 1yrl h ALA 287 N 1.18 -0.13 -0.89 1.82 0.00 -0.14 -0.96 119.26 120.14 1yrl h ALA 287 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yrl h ALA 287 Cb -0.07 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1yrl h ALA 287 CO -0.04 -0.60 0.58 -0.07 0.00 0.00 0.00 179.25 179.13 1yrl h LEU 288 N -0.18 0.99 0.03 0.00 3.38 -0.20 -2.15 115.31 117.19 1yrl h LEU 288 Ca 0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1yrl h LEU 288 Cb 0.20 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1yrl h LEU 288 CO -0.06 0.70 -0.44 -1.28 0.09 0.00 0.00 178.44 177.45 1yrl h SER 289 N 1.16 -1.33 -0.75 -0.43 0.87 -0.33 0.02 113.55 112.76 1yrl h SER 289 Ca 0.34 0.16 0.06 0.00 -1.23 0.00 0.00 61.79 61.12 1yrl h SER 289 Cb -0.07 0.51 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 1yrl h SER 289 CO -0.09 -0.48 0.49 -0.33 -0.53 0.00 0.00 176.83 175.89 1yrl h GLU 290 N -0.61 0.79 -0.43 2.24 4.39 -0.88 -2.13 114.58 117.94 1yrl h GLU 290 Ca 0.04 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1yrl h GLU 290 Cb 0.68 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1yrl h GLU 290 CO -0.31 0.52 -0.17 1.96 -1.16 0.00 0.00 179.01 179.86 1yrl h GLN 291 N 0.81 0.88 -0.35 2.33 4.20 -0.66 -2.59 115.11 119.73 1yrl h GLN 291 Ca 0.32 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1yrl h GLN 291 Cb 0.22 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1yrl h GLN 291 CO -0.11 1.01 0.23 -0.07 -0.67 0.00 0.00 178.83 179.22 1yrl h LEU 292 N 0.70 0.40 -1.81 1.46 -0.00 -0.41 -1.85 115.31 113.81 1yrl h LEU 292 Ca 0.10 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1yrl h LEU 292 Cb 0.72 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1yrl h LEU 292 CO 0.05 0.29 0.18 0.11 -0.00 0.00 0.00 178.44 179.07 1yrl h LYS 293 N 0.47 0.25 -0.30 1.13 1.57 -1.38 0.42 116.57 118.73 1yrl h LYS 293 Ca 0.13 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1yrl h LYS 293 Cb -0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1yrl h LYS 293 CO -0.03 0.17 -0.21 1.49 -0.57 0.00 0.00 179.45 180.30 1yrl h GLU 294 N 0.26 0.67 0.02 3.15 4.57 -0.98 -1.71 114.58 120.56 1yrl h GLU 294 Ca 0.11 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1yrl h GLU 294 Cb 0.11 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1yrl h GLU 294 CO -0.02 0.92 -0.01 0.82 -1.18 0.00 0.00 179.01 179.54 1yrl h ILE 295 N 0.42 1.44 0.00 2.32 2.04 -0.51 -3.37 117.51 119.86 1yrl h ILE 295 Ca 0.06 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 1yrl h ILE 295 Cb 0.75 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1yrl h ILE 295 CO 0.06 0.41 -0.05 0.24 0.00 0.00 0.00 178.15 178.80 1yrl h MET 296 N -0.77 0.00 -0.77 2.37 2.86 -0.30 -3.38 114.93 114.94 1yrl h MET 296 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1yrl h MET 296 Cb 0.69 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.25 1yrl h MET 296 CO 0.01 0.05 -0.55 0.00 1.06 0.00 0.00 176.91 177.48 1yrl h ALA 297 N 1.95 -0.60 -0.93 6.32 0.00 -1.46 0.17 119.26 124.70 1yrl h ALA 297 Ca -0.00 0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.19 1yrl h ALA 297 Cb 0.86 1.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.81 1yrl h ALA 297 CO 0.01 -0.96 0.50 -1.00 0.00 0.00 0.00 179.25 177.80 1yrl h PRO 298 N -0.13 0.56 -0.37 0.00 0.13 -1.84 -0.40 132.00 129.96 1yrl h PRO 298 Ca 0.12 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1yrl h PRO 298 Cb 0.45 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1yrl h PRO 298 CO -0.79 0.37 0.01 1.25 -0.23 0.00 0.00 178.00 178.61 1yrl h LEU 299 N 0.58 0.63 -0.98 1.56 5.85 -1.29 0.67 115.31 122.32 1yrl h LEU 299 Ca 0.56 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1yrl h LEU 299 Cb 0.96 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1yrl h LEU 299 CO -0.44 0.78 0.65 -0.26 -0.34 0.00 0.00 178.44 178.82 1yrl h PHE 300 N 0.46 1.22 0.06 1.25 -1.00 -0.26 -1.38 116.94 117.29 1yrl h PHE 300 Ca 0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1yrl h PHE 300 Cb 0.45 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1yrl h PHE 300 CO 0.04 0.75 -0.03 1.96 -1.61 0.00 0.00 178.31 179.42 1yrl h GLN 301 N 1.30 -0.08 -0.66 1.51 4.20 -0.80 -2.05 115.11 118.53 1yrl h GLN 301 Ca 0.37 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.22 1yrl h GLN 301 Cb -0.11 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.59 1yrl h GLN 301 CO -0.09 0.19 0.11 -0.22 -0.67 0.00 0.00 178.83 178.15 1yrl h LYS 302 N -0.35 0.21 -0.59 1.46 3.11 -0.58 0.40 116.57 120.24 1yrl h LYS 302 Ca -0.01 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1yrl h LYS 302 Cb 0.31 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1yrl h LYS 302 CO 0.01 0.14 0.35 0.45 -2.81 0.00 0.00 179.45 177.60 1yrl h HIS 303 N 0.22 0.77 -0.34 1.91 3.86 -1.07 0.02 115.15 120.52 1yrl h HIS 303 Ca 0.36 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.47 1yrl h HIS 303 Cb 0.58 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1yrl h HIS 303 CO -0.29 0.53 -0.13 1.98 0.86 0.00 0.00 177.93 180.88 1yrl h MET 304 N 0.79 0.69 -0.72 2.45 1.85 -0.53 -2.11 114.93 117.35 1yrl h MET 304 Ca 0.21 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1yrl h MET 304 Cb -0.02 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 31.95 1yrl h MET 304 CO -0.04 0.88 0.47 -0.44 -0.40 0.00 0.00 176.91 177.38 1yrl h ASP 305 N 0.47 0.84 0.56 1.39 3.32 0.07 -0.18 116.42 122.89 1yrl h ASP 305 Ca 0.08 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1yrl h ASP 305 Cb 0.66 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1yrl h ASP 305 CO 0.04 0.62 -0.41 0.44 -1.72 0.00 0.00 179.24 178.22 1yrl h ASP 306 N 0.98 0.00 -0.11 6.45 3.32 -0.94 0.38 116.42 126.50 1yrl h ASP 306 Ca 0.26 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1yrl h ASP 306 Cb -0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1yrl h ASP 306 CO -0.05 0.41 -0.15 0.40 -1.72 0.00 0.00 179.24 178.12 1yrl h ILE 307 N 0.00 1.37 0.02 0.35 2.04 -0.68 0.12 117.51 120.73 1yrl h ILE 307 Ca -0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 1yrl h ILE 307 Cb 0.79 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1yrl h ILE 307 CO 0.05 0.39 -0.01 0.40 0.00 0.00 0.00 178.15 178.99 1yrl h ILE 308 N -0.13 1.08 0.00 -0.67 1.08 -0.81 -2.51 117.51 115.56 1yrl h ILE 308 Ca 0.01 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1yrl h ILE 308 Cb 0.71 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1yrl h ILE 308 CO 0.04 0.07 0.00 -1.54 -0.69 0.00 0.00 178.15 176.03 1yrl n SER 309 N -5.04 0.46 0.00 1.72 3.41 0.10 -4.82 113.62 109.46 1yrl n SER 309 Ca -0.08 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1yrl n SER 309 Cb 0.09 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1yrl n SER 309 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yrl n GLY 310 N -0.41 0.58 0.18 5.00 0.00 -0.95 -4.87 105.19 104.72 1yrl n GLY 310 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1yrl n GLY 310 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yrl h GLU 311 N 1.46 0.31 0.31 1.61 4.57 -1.13 -2.35 114.58 119.36 1yrl h GLU 311 Ca 0.00 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1yrl h GLU 311 Cb 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1yrl h GLU 311 CO 0.00 0.79 -0.15 0.35 -1.18 0.00 0.00 179.01 178.82 1yrl h PHE 312 N 0.23 -0.39 -0.66 0.92 3.57 -1.20 -1.67 116.94 117.74 1yrl h PHE 312 Ca -0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1yrl h PHE 312 Cb 1.07 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 39.82 1yrl h PHE 312 CO 0.03 -0.24 -0.12 0.66 -2.23 0.00 0.00 178.31 176.40 1yrl h SER 313 N -0.48 -0.54 -0.65 0.41 4.64 -1.81 0.15 113.55 115.26 1yrl h SER 313 Ca -0.04 0.19 0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1yrl h SER 313 Cb 0.32 0.38 -0.08 0.00 -0.31 0.00 0.00 62.40 62.71 1yrl h SER 313 CO 0.07 -0.20 0.24 -1.28 -0.87 0.00 0.00 176.83 174.79 1yrl h SER 314 N 0.02 0.22 -0.16 4.97 0.87 -1.45 -0.49 113.55 117.54 1yrl h SER 314 Ca 0.33 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.93 1yrl h SER 314 Cb 0.52 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1yrl h SER 314 CO -0.65 0.12 -0.07 1.23 -0.53 0.00 0.00 176.83 176.93 1yrl h GLY 315 N 0.41 0.35 0.94 5.77 0.00 0.19 -2.69 103.07 108.04 1yrl h GLY 315 Ca 0.34 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1yrl h GLY 315 CO -0.34 0.28 0.26 1.98 0.00 0.00 0.00 176.54 178.72 1yrl h MET 316 N 0.01 0.51 -0.60 4.80 -1.53 -0.70 -1.73 114.93 115.69 1yrl h MET 316 Ca 0.04 -0.03 0.12 0.00 -3.44 0.00 0.00 59.70 56.39 1yrl h MET 316 Cb 0.53 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.43 1yrl h MET 316 CO 0.02 0.34 0.41 0.52 0.14 0.00 0.00 176.91 178.34 1yrl h MET 317 N 0.53 0.29 0.00 0.39 2.86 -1.07 0.48 114.93 118.41 1yrl h MET 317 Ca 0.16 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1yrl h MET 317 Cb -0.02 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1yrl h MET 317 CO -0.06 0.19 -0.16 0.00 1.06 0.00 0.00 176.91 177.94 1yrl h ALA 318 N 1.70 1.52 0.00 6.32 0.00 -0.97 -0.58 119.26 127.25 1yrl h ALA 318 Ca 0.28 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 1yrl h ALA 318 Cb 0.71 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1yrl h ALA 318 CO -0.07 0.20 -1.11 0.22 0.00 0.00 0.00 179.25 178.49 1yrl h ASP 319 N 0.00 0.00 -0.77 0.00 3.58 0.04 -2.66 116.42 116.61 1yrl h ASP 319 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1yrl h ASP 319 Cb 0.33 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1yrl h ASP 319 CO 0.02 0.99 0.48 -0.50 -2.88 0.00 0.00 179.24 177.34 1yrl h TRP 320 N 0.00 1.00 -0.01 0.28 4.06 0.17 0.76 115.95 122.21 1yrl h TRP 320 Ca -0.06 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1yrl h TRP 320 Cb 1.80 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 29.63 1yrl h TRP 320 CO 0.00 0.66 -0.04 0.00 -3.56 0.00 0.00 178.44 175.50 1yrl n ALA 321 N -2.33 2.67 -1.57 1.49 0.00 -0.83 -3.71 120.51 116.23 1yrl n ALA 321 Ca 0.07 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1yrl n ALA 321 Cb 0.04 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.37 1yrl n ALA 321 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1yrl n ASN 322 N -0.37 3.40 -0.43 0.00 4.05 -0.60 -4.91 115.26 116.40 1yrl n ASN 322 Ca 0.19 -3.80 -0.06 0.00 0.45 0.00 0.00 54.58 51.37 1yrl n ASN 322 Cb 0.28 -0.61 -0.02 0.00 1.23 0.00 0.00 39.78 40.66 1yrl n ASN 322 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1yrl n ASP 323 N -1.03 -4.49 -2.31 1.20 10.43 -1.18 -2.63 116.55 116.55 1yrl n ASP 323 Ca 0.38 0.14 -0.19 0.00 2.57 0.00 0.00 54.79 57.69 1yrl n ASP 323 Cb 0.97 -2.48 0.01 0.00 1.84 0.00 0.00 41.12 41.46 1yrl n ASP 323 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1yrl n ASP 324 N -0.18 -5.37 -0.15 -2.24 8.00 0.25 -4.92 116.55 111.94 1yrl n ASP 324 Ca -0.06 -0.12 -0.07 0.00 0.71 0.00 0.00 54.79 55.26 1yrl n ASP 324 Cb 0.32 -4.34 -0.06 0.00 -0.02 0.00 0.00 41.12 37.02 1yrl n ASP 324 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1yrl h LYS 325 N -0.52 -0.12 -0.39 -1.24 3.64 -1.66 -0.68 116.57 115.60 1yrl h LYS 325 Ca -0.44 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1yrl h LYS 325 Cb 1.32 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 1yrl h LYS 325 CO 0.50 -0.08 0.06 0.87 -2.27 0.00 0.00 179.45 178.54 1yrl h LYS 326 N -0.12 0.18 -0.49 1.90 1.57 -1.90 0.37 116.57 118.08 1yrl h LYS 326 Ca 0.06 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1yrl h LYS 326 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1yrl h LYS 326 CO -0.42 0.12 0.37 1.25 -0.57 0.00 0.00 179.45 180.20 1yrl h LEU 327 N 0.19 0.00 0.08 2.94 7.12 -1.74 -1.59 115.31 122.30 1yrl h LEU 327 Ca 0.19 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 57.83 1yrl h LEU 327 Cb 0.23 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.33 1yrl h LEU 327 CO -0.26 0.00 -2.15 0.18 -0.13 0.00 0.00 178.44 176.09 1yrl n LEU 328 N -4.31 2.72 -0.27 2.25 4.77 -0.34 -3.40 117.00 118.42 1yrl n LEU 328 Ca 0.09 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1yrl n LEU 328 Cb 0.58 -1.04 0.32 0.00 -2.33 0.00 0.00 43.42 40.95 1yrl n LEU 328 CO 0.36 0.86 1.23 0.74 -1.33 0.00 0.00 177.39 179.25 1yrl h THR 329 N -0.01 0.95 0.00 -5.08 2.02 0.05 0.18 112.91 111.03 1yrl h THR 329 Ca -0.48 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 1yrl h THR 329 Cb 1.96 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1yrl h THR 329 CO 0.01 0.15 -0.50 -0.50 0.37 0.00 0.00 175.52 175.06 1yrl h TRP 330 N 0.84 0.00 -0.60 3.16 6.55 -1.47 -2.84 115.95 121.59 1yrl h TRP 330 Ca 0.41 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.23 1yrl h TRP 330 Cb 0.44 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.72 1yrl h TRP 330 CO -0.00 0.50 0.29 0.00 -1.05 0.00 0.00 178.44 178.18 1yrl h ARG 331 N 0.00 0.87 0.00 0.49 2.47 -0.73 -1.99 114.38 115.48 1yrl h ARG 331 Ca -0.00 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1yrl h ARG 331 Cb 1.18 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1yrl h ARG 331 CO 0.06 0.70 0.00 0.39 0.56 0.00 0.00 179.97 181.68 1yrl n GLU 332 N -4.52 0.00 -0.33 0.04 -0.58 -0.29 -1.56 120.64 113.40 1yrl n GLU 332 Ca 0.04 0.54 0.15 0.00 -0.42 0.00 0.00 57.16 57.47 1yrl n GLU 332 Cb 0.12 -1.34 0.35 0.00 -0.57 0.00 0.00 31.44 30.00 1yrl n GLU 332 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1yrl h GLU 333 N 0.00 0.54 -0.36 3.49 5.08 -1.57 0.20 114.58 121.95 1yrl h GLU 333 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1yrl h GLU 333 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1yrl h GLU 333 CO 0.00 0.36 0.14 1.15 -1.00 0.00 0.00 179.01 179.66 1yrl h THR 334 N 0.55 0.92 0.00 1.13 2.02 -1.20 -1.51 112.91 114.83 1yrl h THR 334 Ca 0.60 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1yrl h THR 334 Cb 1.10 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1yrl h THR 334 CO -0.47 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.08 1yrl n GLY 335 N -1.21 -1.38 1.79 2.16 0.00 -0.02 -2.90 105.19 103.62 1yrl n GLY 335 Ca 0.01 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1yrl n GLY 335 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yrl n LYS 336 N -2.29 2.15 -3.75 1.61 5.02 -0.59 -4.59 118.16 115.72 1yrl n LYS 336 Ca 0.03 -3.15 -0.28 0.00 -2.02 0.00 0.00 58.31 52.88 1yrl n LYS 336 Cb 0.28 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 1yrl n LYS 336 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yrl s THR 337 N -3.45 5.24 0.13 -0.18 -4.23 -1.10 -4.97 115.64 107.08 1yrl s THR 337 Ca 0.52 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1yrl s THR 337 Cb 0.45 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.51 1yrl s THR 337 CO 0.05 -0.11 1.58 0.00 -0.54 0.00 0.00 174.62 175.60 1yrl h ALA 338 N 2.22 -0.65 -0.32 3.99 0.00 -1.91 -0.24 119.26 122.35 1yrl h ALA 338 Ca -0.47 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1yrl h ALA 338 Cb 1.19 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 1yrl h ALA 338 CO 0.69 -0.96 -0.02 0.35 0.00 0.00 0.00 179.25 179.32 1yrl h PHE 339 N -0.52 -0.06 -0.62 0.00 3.04 -1.95 -2.10 116.94 114.74 1yrl h PHE 339 Ca 0.07 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1yrl h PHE 339 Cb 0.64 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1yrl h PHE 339 CO -0.50 -0.08 0.41 0.93 -2.02 0.00 0.00 178.31 177.05 1yrl h GLU 340 N 0.07 0.79 -2.41 1.11 4.39 -1.73 -3.18 114.58 113.61 1yrl h GLU 340 Ca 0.16 -0.05 -0.67 0.00 0.34 0.00 0.00 59.36 59.14 1yrl h GLU 340 Cb 0.22 -0.18 -0.37 0.00 -0.10 0.00 0.00 28.75 28.32 1yrl h GLU 340 CO -0.28 0.52 -0.10 0.25 -1.16 0.00 0.00 179.01 178.25 1yrl n THR 341 N -4.45 3.56 -3.96 1.13 -2.24 -0.14 -4.98 114.28 103.20 1yrl n THR 341 Ca 0.06 -5.53 -0.09 0.00 -2.27 0.00 0.00 64.05 56.22 1yrl n THR 341 Cb 0.06 -1.97 -0.11 0.00 -2.10 0.00 0.00 70.33 66.21 1yrl n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yrl s ALA 342 N -2.82 0.03 0.45 6.98 0.00 -1.08 -4.77 121.76 120.55 1yrl s ALA 342 Ca 0.38 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 1yrl s ALA 342 Cb 0.14 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 1yrl s ALA 342 CO 0.00 -0.17 1.23 -1.25 0.00 0.00 0.00 175.76 175.57 1yrl s PRO 343 N -1.43 3.76 -0.27 0.00 0.04 -1.26 -5.02 135.00 130.82 1yrl s PRO 343 Ca -0.16 1.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 1yrl s PRO 343 Cb -0.09 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1yrl s PRO 343 CO -0.00 -0.60 0.16 -1.14 0.04 0.00 0.00 177.00 175.46 1yrl s GLN 344 N -2.56 3.85 0.44 4.56 0.74 -1.26 -3.85 119.66 121.58 1yrl s GLN 344 Ca 0.62 -0.38 -0.21 0.00 0.05 0.00 0.00 55.36 55.44 1yrl s GLN 344 Cb -0.33 -3.57 -0.13 0.00 1.10 0.00 0.00 33.01 30.08 1yrl s GLN 344 CO 0.41 -0.19 0.46 0.98 -0.55 0.00 0.00 175.29 176.39 1yrl n TYR 345 N 5.02 -0.82 -0.10 1.67 -0.00 0.41 -4.94 117.16 118.40 1yrl n TYR 345 Ca -0.15 0.58 -0.21 0.00 -0.00 0.00 0.00 57.90 58.12 1yrl n TYR 345 Cb 0.52 -1.95 -0.12 0.00 -0.00 0.00 0.00 39.34 37.79 1yrl n TYR 345 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1yrl h GLU 346 N 0.64 0.00 -6.87 2.98 4.57 -1.97 -3.48 114.58 110.44 1yrl h GLU 346 Ca -0.41 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.28 1yrl h GLU 346 Cb 1.41 0.00 0.22 0.00 -0.16 0.00 0.00 28.75 30.22 1yrl h GLU 346 CO 0.50 1.00 -0.54 0.41 -1.18 0.00 0.00 179.01 179.20 1yrl n GLY 347 N 1.45 -1.93 3.88 1.92 0.00 -1.26 -4.99 105.19 104.26 1yrl n GLY 347 Ca -0.30 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1yrl n GLY 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrl s LYS 348 N -3.83 3.74 -0.10 1.61 2.47 -1.26 -5.09 119.74 117.28 1yrl s LYS 348 Ca 0.60 0.18 0.04 0.00 -1.56 0.00 0.00 55.97 55.22 1yrl s LYS 348 Cb -0.19 -2.66 -0.00 0.00 -1.46 0.00 0.00 37.83 33.51 1yrl s LYS 348 CO 0.65 0.30 -0.22 0.42 0.16 0.00 0.00 175.35 176.66 1yrl s ILE 349 N -1.87 2.24 0.55 5.43 1.01 -1.26 -5.12 121.20 122.17 1yrl s ILE 349 Ca 0.46 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 1yrl s ILE 349 Cb -0.11 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 1yrl s ILE 349 CO 0.24 0.56 1.14 -0.83 0.00 0.00 0.00 174.94 176.04 1yrl s GLY 350 N 0.28 2.64 0.12 6.18 0.00 -1.26 -4.94 107.32 110.34 1yrl s GLY 350 Ca -0.16 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.11 1yrl s GLY 350 CO 0.08 1.20 1.60 -2.09 0.00 0.00 0.00 173.10 173.89 1yrl h GLU 351 N 1.16 -0.55 -0.16 2.90 4.81 -2.02 -0.71 114.58 120.01 1yrl h GLU 351 Ca -0.50 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1yrl h GLU 351 Cb 1.27 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1yrl h GLU 351 CO 0.57 -0.36 0.25 0.37 -0.73 0.00 0.00 179.01 179.10 1yrl h GLN 352 N -0.57 0.00 0.00 1.92 5.75 -1.99 -0.32 115.11 119.91 1yrl h GLN 352 Ca 0.04 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.44 1yrl h GLN 352 Cb 0.63 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1yrl h GLN 352 CO -0.26 0.00 -0.47 1.49 -2.65 0.00 0.00 178.83 176.94 1yrl h GLU 353 N 0.00 0.00 -0.05 1.69 4.81 -1.49 -1.81 114.58 117.73 1yrl h GLU 353 Ca 0.07 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1yrl h GLU 353 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1yrl h GLU 353 CO -0.00 0.47 -0.65 1.88 -0.73 0.00 0.00 179.01 179.98 1yrl h TYR 354 N 0.00 0.27 0.05 0.92 -1.99 -0.97 -1.38 116.97 113.88 1yrl h TYR 354 Ca -0.00 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 1yrl h TYR 354 Cb 0.87 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1yrl h TYR 354 CO 0.00 0.79 -0.03 0.74 -0.00 0.00 0.00 178.16 179.67 1yrl h PHE 355 N 0.15 -0.07 -1.11 4.88 -1.00 -1.54 -1.61 116.94 116.64 1yrl h PHE 355 Ca -0.01 -0.00 0.40 0.00 2.81 0.00 0.00 57.97 61.17 1yrl h PHE 355 Cb 1.17 0.02 -0.16 0.00 3.61 0.00 0.00 35.95 40.59 1yrl h PHE 355 CO 0.02 -0.04 0.65 -0.44 -1.61 0.00 0.00 178.31 176.89 1yrl h ASP 356 N -0.15 0.34 0.12 2.17 5.19 -1.42 1.05 116.42 123.73 1yrl h ASP 356 Ca -0.01 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1yrl h ASP 356 Cb 0.05 0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1yrl h ASP 356 CO 0.01 -0.29 -0.30 0.29 -3.12 0.00 0.00 179.24 175.83 1yrl n LYS 357 N -5.03 1.08 -2.02 3.56 5.02 -0.52 -4.10 118.16 116.15 1yrl n LYS 357 Ca 0.36 -0.75 -0.27 0.00 -2.02 0.00 0.00 58.31 55.63 1yrl n LYS 357 Cb 1.27 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.82 1yrl n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yrl n GLY 358 N 1.36 6.21 0.20 0.72 0.00 0.36 -1.27 105.19 112.77 1yrl n GLY 358 Ca 0.12 -2.63 -0.10 0.00 0.00 0.00 0.00 46.02 43.40 1yrl n GLY 358 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yrl h VAL 359 N 2.10 0.61 0.00 1.61 2.07 -1.51 0.72 116.25 121.85 1yrl h VAL 359 Ca 0.40 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.89 1yrl h VAL 359 Cb 1.23 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1yrl h VAL 359 CO 0.93 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 178.64 1yrl h LEU 360 N -0.23 0.00 -0.18 2.57 5.85 -0.95 0.11 115.31 122.47 1yrl h LEU 360 Ca 0.07 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1yrl h LEU 360 Cb 0.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1yrl h LEU 360 CO -0.19 0.13 -0.24 0.24 -0.34 0.00 0.00 178.44 178.03 1yrl h MET 361 N 0.00 0.49 -0.55 1.25 2.86 -1.53 0.72 114.93 118.16 1yrl h MET 361 Ca -0.00 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1yrl h MET 361 Cb 0.23 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1yrl h MET 361 CO 0.02 0.87 0.23 0.82 1.06 0.00 0.00 176.91 179.91 1yrl h ILE 362 N 0.14 1.22 -0.84 -1.22 2.04 -0.38 -1.54 117.51 116.92 1yrl h ILE 362 Ca 0.02 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1yrl h ILE 362 Cb 0.81 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1yrl h ILE 362 CO 0.06 0.25 0.48 0.00 0.00 0.00 0.00 178.15 178.94 1yrl h ALA 363 N 1.08 1.26 -0.15 1.87 0.00 -0.68 -1.42 119.26 121.22 1yrl h ALA 363 Ca 0.19 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1yrl h ALA 363 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1yrl h ALA 363 CO -0.02 0.61 -0.29 0.52 0.00 0.00 0.00 179.25 180.07 1yrl h MET 364 N 1.17 0.29 0.06 0.00 2.86 -0.35 -1.56 114.93 117.40 1yrl h MET 364 Ca 0.30 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1yrl h MET 364 Cb -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1yrl h MET 364 CO -0.05 0.57 -0.03 0.28 1.06 0.00 0.00 176.91 178.74 1yrl h VAL 365 N 0.26 1.20 -0.01 -2.22 2.07 -0.70 -0.74 116.25 116.11 1yrl h VAL 365 Ca 0.04 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1yrl h VAL 365 Cb 0.66 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1yrl h VAL 365 CO 0.05 0.23 -0.12 0.50 0.02 0.00 0.00 177.57 178.25 1yrl h LYS 366 N -0.50 -0.19 -0.43 1.57 3.64 -1.17 0.19 116.57 119.67 1yrl h LYS 366 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1yrl h LYS 366 Cb 0.44 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1yrl h LYS 366 CO 0.01 -0.13 0.23 0.00 -2.27 0.00 0.00 179.45 177.29 1yrl h ALA 367 N 0.77 0.55 -0.48 5.00 0.00 -1.34 -0.48 119.26 123.27 1yrl h ALA 367 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1yrl h ALA 367 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1yrl h ALA 367 CO -0.13 0.08 -0.04 0.78 0.00 0.00 0.00 179.25 179.94 1yrl h GLY 368 N 0.55 0.96 0.78 0.00 0.00 -0.88 0.17 103.07 104.66 1yrl h GLY 368 Ca 0.15 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1yrl h GLY 368 CO -0.02 0.68 -0.04 -2.08 0.00 0.00 0.00 176.54 175.07 1yrl h VAL 369 N 0.74 1.04 -0.59 4.60 2.07 -0.53 -1.17 116.25 122.41 1yrl h VAL 369 Ca 0.13 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1yrl h VAL 369 Cb 0.57 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1yrl h VAL 369 CO 0.03 0.12 0.33 -0.33 0.02 0.00 0.00 177.57 177.74 1yrl h GLU 370 N -0.34 0.82 -0.61 1.57 5.08 -1.06 -0.47 114.58 119.56 1yrl h GLU 370 Ca -0.01 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1yrl h GLU 370 Cb 0.29 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1yrl h GLU 370 CO 0.02 0.61 0.06 1.25 -1.00 0.00 0.00 179.01 179.96 1yrl h LEU 371 N 0.80 0.99 0.01 1.33 5.85 -0.93 0.10 115.31 123.46 1yrl h LEU 371 Ca 0.21 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1yrl h LEU 371 Cb 0.03 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1yrl h LEU 371 CO -0.03 1.01 -0.01 0.00 -0.34 0.00 0.00 178.44 179.06 1yrl h ALA 372 N 1.10 -0.02 0.15 1.25 0.00 -1.03 -0.85 119.26 119.87 1yrl h ALA 372 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yrl h ALA 372 Cb 0.47 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1yrl h ALA 372 CO 0.02 -0.33 -0.47 0.35 0.00 0.00 0.00 179.25 178.82 1yrl h PHE 373 N -0.38 -1.34 -0.68 0.00 3.57 -0.88 -1.66 116.94 115.57 1yrl h PHE 373 Ca -0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1yrl h PHE 373 Cb 0.37 0.57 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 1yrl h PHE 373 CO 0.05 -0.57 0.35 0.93 -2.23 0.00 0.00 178.31 176.84 1yrl h GLU 374 N -0.73 0.59 -0.73 1.11 5.08 -0.82 -1.17 114.58 117.91 1yrl h GLU 374 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1yrl h GLU 374 Cb 0.73 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1yrl h GLU 374 CO -0.25 0.39 0.20 1.15 -1.00 0.00 0.00 179.01 179.51 1yrl h THR 375 N 0.61 1.26 0.59 1.13 2.02 -0.87 -1.18 112.91 116.47 1yrl h THR 375 Ca 0.32 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1yrl h THR 375 Cb 0.29 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1yrl h THR 375 CO -0.23 0.37 -0.28 0.24 0.37 0.00 0.00 175.52 175.98 1yrl h MET 376 N 1.10 -0.76 -0.84 6.66 2.86 -0.79 -2.88 114.93 120.28 1yrl h MET 376 Ca 0.23 0.05 0.21 0.00 -2.06 0.00 0.00 59.70 58.13 1yrl h MET 376 Cb 0.34 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1yrl h MET 376 CO -0.00 -0.45 0.57 0.28 1.06 0.00 0.00 176.91 178.37 1yrl h VAL 377 N -0.97 0.66 0.00 -2.22 2.07 -1.14 0.72 116.25 115.37 1yrl h VAL 377 Ca -0.08 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1yrl h VAL 377 Cb 0.66 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1yrl h VAL 377 CO 0.13 0.04 0.00 0.47 0.02 0.00 0.00 177.57 178.24 1yrl n ASP 378 N -4.42 0.00 -0.90 0.57 8.00 -0.45 -2.91 116.55 116.44 1yrl n ASP 378 Ca 0.17 0.09 0.04 0.00 0.71 0.00 0.00 54.79 55.80 1yrl n ASP 378 Cb 0.74 -0.33 0.22 0.00 -0.02 0.00 0.00 41.12 41.73 1yrl n ASP 378 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1yrl n SER 379 N -1.33 3.18 0.00 -2.24 7.64 0.25 -4.95 113.62 116.16 1yrl n SER 379 Ca 0.09 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1yrl n SER 379 Cb 0.19 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1yrl n SER 379 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yrl n GLY 380 N -0.85 1.26 3.73 0.23 0.00 -1.15 -5.03 105.19 103.37 1yrl n GLY 380 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1yrl n GLY 380 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrl s ILE 381 N -2.64 4.64 0.54 -0.61 1.01 -1.13 -3.42 121.20 119.60 1yrl s ILE 381 Ca 0.00 1.97 -0.21 0.00 0.00 0.00 0.00 60.65 62.42 1yrl s ILE 381 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1yrl s ILE 381 CO 0.00 0.29 1.22 -0.63 0.00 0.00 0.00 174.94 175.82 1yrl s ILE 382 N 0.24 2.67 0.13 2.92 1.09 -1.26 -3.81 121.20 123.18 1yrl s ILE 382 Ca 0.46 0.46 -0.24 0.00 -1.10 0.00 0.00 60.65 60.22 1yrl s ILE 382 Cb -0.22 -3.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.94 1yrl s ILE 382 CO 0.28 -0.05 1.64 -0.33 -0.10 0.00 0.00 174.94 176.38 1yrl h GLU 383 N 1.34 -0.32 -0.99 2.79 5.08 -1.95 -0.13 114.58 120.40 1yrl h GLU 383 Ca -0.50 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.15 1yrl h GLU 383 Cb 1.28 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.47 1yrl h GLU 383 CO 0.57 -0.21 0.56 0.93 -1.00 0.00 0.00 179.01 179.86 1yrl h GLU 384 N -0.33 0.44 -0.02 2.33 4.39 -1.92 0.60 114.58 120.07 1yrl h GLU 384 Ca 0.08 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1yrl h GLU 384 Cb 0.44 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1yrl h GLU 384 CO -0.25 0.29 -0.17 1.03 -1.16 0.00 0.00 179.01 178.75 1yrl h SER 385 N 0.45 0.19 -0.58 1.42 0.87 -1.59 -3.22 113.55 111.08 1yrl h SER 385 Ca 0.67 -0.70 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1yrl h SER 385 Cb 1.39 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.26 1yrl h SER 385 CO -0.54 0.86 0.39 0.00 -0.53 0.00 0.00 176.83 177.00 1yrl h ALA 386 N 0.34 1.75 0.10 6.23 0.00 0.87 -2.39 119.26 126.16 1yrl h ALA 386 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yrl h ALA 386 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1yrl h ALA 386 CO 0.03 0.17 -0.17 -0.92 0.00 0.00 0.00 179.25 178.36 1yrl h TYR 387 N 0.63 -0.44 0.00 0.00 3.20 0.07 -1.72 116.97 118.71 1yrl h TYR 387 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1yrl h TYR 387 Cb 0.17 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1yrl h TYR 387 CO -0.00 -0.25 -0.05 1.88 -1.64 0.00 0.00 178.16 178.09 1yrl h TYR 388 N -0.34 0.00 -0.12 -3.82 -1.99 -1.45 -1.64 116.97 107.62 1yrl h TYR 388 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1yrl h TYR 388 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 1yrl h TYR 388 CO -0.17 0.05 0.00 0.39 -0.00 0.00 0.00 178.16 178.43 1yrl n GLU 389 N -3.94 2.34 0.00 4.88 -0.58 -1.02 -3.60 120.64 118.72 1yrl n GLU 389 Ca -0.03 -1.97 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 1yrl n GLU 389 Cb 0.14 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1yrl n GLU 389 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1yrl n SER 390 N 1.33 0.30 0.00 1.62 3.41 -0.68 -4.00 113.62 115.61 1yrl n SER 390 Ca 0.16 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1yrl n SER 390 Cb 0.59 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1yrl n SER 390 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1yrl n LEU 391 N -0.30 0.00 -0.19 1.04 7.94 -0.65 -4.59 117.00 120.25 1yrl n LEU 391 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1yrl n LEU 391 Cb 0.05 0.13 0.07 0.00 0.53 0.00 0.00 43.42 44.20 1yrl n LEU 391 CO 0.00 -0.47 0.79 -0.74 -1.11 0.00 0.00 177.39 175.86 1yrl h HIS 392 N 0.00 -0.18 0.00 1.96 2.76 -1.65 -1.98 115.15 116.06 1yrl h HIS 392 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1yrl h HIS 392 Cb 0.00 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1yrl h HIS 392 CO 0.00 -0.20 -0.35 0.39 -1.30 0.00 0.00 177.93 176.47 1yrl n GLU 393 N -5.34 0.07 -0.28 5.26 1.02 -1.24 -4.20 120.64 115.94 1yrl n GLU 393 Ca 0.07 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1yrl n GLU 393 Cb 0.32 -1.55 0.23 0.00 -0.02 0.00 0.00 31.44 30.42 1yrl n GLU 393 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1yrl h LEU 394 N 0.00 0.34 0.72 -4.62 5.85 -1.67 -2.18 115.31 113.74 1yrl h LEU 394 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1yrl h LEU 394 Cb 0.56 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1yrl h LEU 394 CO 0.00 0.10 -0.42 -0.65 -0.34 0.00 0.00 178.44 177.12 1yrl h PRO 395 N 0.47 -1.03 -0.89 5.25 0.11 -1.73 -2.03 132.00 132.15 1yrl h PRO 395 Ca 0.47 0.07 0.22 0.00 0.11 0.00 0.00 66.00 66.87 1yrl h PRO 395 Cb 0.76 0.23 -0.13 0.00 0.11 0.00 0.00 31.00 31.98 1yrl h PRO 395 CO -0.44 -0.69 0.36 -0.07 -0.21 0.00 0.00 178.00 176.96 1yrl h LEU 396 N -1.07 0.27 -1.09 2.35 3.38 -1.70 0.54 115.31 117.99 1yrl h LEU 396 Ca -0.09 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1yrl h LEU 396 Cb 0.85 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1yrl h LEU 396 CO 0.10 -0.03 -0.45 0.40 0.09 0.00 0.00 178.44 178.55 1yrl h ILE 397 N 0.36 1.28 -0.31 1.22 2.04 -1.23 -2.87 117.51 117.99 1yrl h ILE 397 Ca 0.56 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 1yrl h ILE 397 Cb 1.07 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1yrl h ILE 397 CO -0.55 0.44 -0.01 0.00 0.00 0.00 0.00 178.15 178.03 1yrl h ALA 398 N 1.55 0.42 -1.00 1.87 0.00 0.76 -2.56 119.26 120.31 1yrl h ALA 398 Ca -0.00 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 54.90 1yrl h ALA 398 Cb 0.81 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1yrl h ALA 398 CO 0.06 0.19 0.65 -0.91 0.00 0.00 0.00 179.25 179.23 1yrl h ASN 399 N 0.35 0.45 0.35 0.00 2.35 -0.98 -0.99 115.58 117.12 1yrl h ASN 399 Ca 0.09 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1yrl h ASN 399 Cb 0.46 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1yrl h ASN 399 CO 0.02 0.13 -0.31 0.74 -1.65 0.00 0.00 177.43 176.36 1yrl h THR 400 N 0.42 0.36 -0.76 2.81 2.02 -1.39 -2.45 112.91 113.92 1yrl h THR 400 Ca 0.55 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.74 1yrl h THR 400 Cb 1.36 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1yrl h THR 400 CO -0.26 0.00 0.50 0.40 0.37 0.00 0.00 175.52 176.54 1yrl h ILE 401 N -0.68 1.18 0.00 3.11 2.04 -1.21 -0.27 117.51 121.68 1yrl h ILE 401 Ca -0.02 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1yrl h ILE 401 Cb 0.60 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1yrl h ILE 401 CO -0.03 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.30 1yrl n ALA 402 N -2.42 1.68 0.00 1.87 0.00 -0.69 -1.32 120.51 119.63 1yrl n ALA 402 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1yrl n ALA 402 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1yrl n ALA 402 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1yrl n ARG 403 N -0.07 0.00 -2.71 0.00 0.63 -0.13 -4.93 116.66 109.45 1yrl n ARG 403 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1yrl n ARG 403 Cb 0.05 -0.82 0.10 0.00 0.45 0.00 0.00 32.46 32.24 1yrl n ARG 403 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1yrl n LYS 404 N -2.25 1.15 0.00 -0.14 4.76 -0.84 -5.05 118.16 115.79 1yrl n LYS 404 Ca 0.00 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 1yrl n LYS 404 Cb 0.36 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 1yrl n LYS 404 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1yrl n ARG 405 N -0.32 0.00 0.15 1.97 5.12 -0.44 -1.90 116.66 121.24 1yrl n ARG 405 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 1yrl n ARG 405 Cb 0.81 0.00 0.30 0.00 -1.16 0.00 0.00 32.46 32.41 1yrl n ARG 405 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1yrl h LEU 406 N 0.00 0.07 -0.47 0.55 3.38 -1.94 -3.18 115.31 113.72 1yrl h LEU 406 Ca 0.00 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1yrl h LEU 406 Cb 0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1yrl h LEU 406 CO 0.00 0.47 -0.42 0.22 0.09 0.00 0.00 178.44 178.80 1yrl h TYR 407 N 0.06 -1.23 -0.78 1.13 3.20 -1.94 0.43 116.97 117.82 1yrl h TYR 407 Ca 0.00 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1yrl h TYR 407 Cb 0.74 0.60 -0.05 0.00 1.54 0.00 0.00 36.73 39.56 1yrl h TYR 407 CO 0.00 -0.43 0.51 1.49 -1.64 0.00 0.00 178.16 178.09 1yrl h GLU 408 N -0.29 0.66 0.37 1.82 4.57 -1.35 -2.59 114.58 117.77 1yrl h GLU 408 Ca 0.16 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1yrl h GLU 408 Cb 0.57 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1yrl h GLU 408 CO -0.61 0.44 -0.18 1.98 -1.18 0.00 0.00 179.01 179.46 1yrl h MET 409 N 0.68 -0.47 -0.36 1.92 4.05 -1.07 -0.51 114.93 119.16 1yrl h MET 409 Ca 0.36 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1yrl h MET 409 Cb 0.50 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1yrl h MET 409 CO -0.14 -0.18 0.00 0.09 0.23 0.00 0.00 176.91 176.91 1yrl n ASN 410 N -5.20 0.36 0.00 1.39 3.02 -0.39 -1.95 115.26 112.49 1yrl n ASN 410 Ca -0.10 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1yrl n ASN 410 Cb 0.27 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1yrl n ASN 410 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1yrl n VAL 411 N 0.03 0.00 0.10 2.41 0.31 -1.02 -4.71 118.33 115.45 1yrl n VAL 411 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1yrl n VAL 411 Cb 0.09 -0.45 0.13 0.00 -0.91 0.00 0.00 33.84 32.70 1yrl n VAL 411 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1yrl h VAL 412 N 0.00 1.40 -3.27 2.52 2.07 -0.62 -3.45 116.25 114.91 1yrl h VAL 412 Ca 0.00 -2.03 -0.50 0.00 0.82 0.00 0.00 66.70 64.99 1yrl h VAL 412 Cb 0.81 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1yrl h VAL 412 CO 0.00 0.59 -0.08 0.27 0.02 0.00 0.00 177.57 178.38 1yrl s ILE 413 N -3.71 4.98 1.11 4.57 -4.36 -0.82 -4.85 121.20 118.12 1yrl s ILE 413 Ca -0.03 0.09 -0.12 0.00 -0.26 0.00 0.00 60.65 60.32 1yrl s ILE 413 Cb 0.12 -3.77 0.25 0.00 1.25 0.00 0.00 42.46 40.31 1yrl s ILE 413 CO 0.79 -0.45 1.05 -0.94 0.24 0.00 0.00 174.94 175.63 1yrl s SER 414 N -3.41 1.46 0.24 4.36 1.04 -1.26 -4.75 113.70 111.39 1yrl s SER 414 Ca 0.45 1.56 -0.01 0.00 0.48 0.00 0.00 55.95 58.42 1yrl s SER 414 Cb -0.10 -2.28 0.28 0.00 0.10 0.00 0.00 66.02 64.02 1yrl s SER 414 CO 0.33 -3.91 1.66 0.44 0.98 0.00 0.00 173.24 172.74 1yrl h ASP 415 N -2.42 0.62 -0.82 7.02 5.19 -1.96 -1.25 116.42 122.79 1yrl h ASP 415 Ca -0.58 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 55.60 1yrl h ASP 415 Cb 1.32 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 1yrl h ASP 415 CO 0.50 0.87 0.51 0.74 -3.12 0.00 0.00 179.24 178.75 1yrl h THR 416 N 0.53 1.22 0.06 0.35 2.02 -1.98 0.76 112.91 115.88 1yrl h THR 416 Ca 0.07 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1yrl h THR 416 Cb 0.74 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1yrl h THR 416 CO 0.06 0.23 -0.03 0.00 0.37 0.00 0.00 175.52 176.15 1yrl h ALA 417 N 1.43 -0.09 -0.43 6.16 0.00 -1.81 -1.09 119.26 123.44 1yrl h ALA 417 Ca 0.30 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yrl h ALA 417 Cb -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1yrl h ALA 417 CO -0.06 -0.34 0.19 1.49 0.00 0.00 0.00 179.25 180.52 1yrl h GLU 418 N -0.50 0.37 -0.50 0.00 4.81 -0.73 0.41 114.58 118.44 1yrl h GLU 418 Ca -0.01 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1yrl h GLU 418 Cb 0.43 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1yrl h GLU 418 CO 0.01 0.24 0.17 -0.92 -0.73 0.00 0.00 179.01 177.79 1yrl h TYR 419 N 0.38 0.30 0.13 0.92 3.20 0.56 -0.43 116.97 122.03 1yrl h TYR 419 Ca 0.19 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1yrl h TYR 419 Cb 0.14 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1yrl h TYR 419 CO -0.12 0.09 -0.06 0.78 -1.64 0.00 0.00 178.16 177.21 1yrl h GLY 420 N 0.34 -0.18 0.13 1.82 0.00 -0.03 -1.05 103.07 104.12 1yrl h GLY 420 Ca 0.24 0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.75 1yrl h GLY 420 CO -0.25 -0.06 0.09 -0.57 0.00 0.00 0.00 176.54 175.75 1yrl h ASN 421 N -0.21 -0.07 0.06 0.19 -1.24 0.36 -1.08 115.58 113.59 1yrl h ASN 421 Ca -0.02 0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1yrl h ASN 421 Cb 0.17 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1yrl h ASN 421 CO 0.03 -0.02 -0.03 1.88 -1.29 0.00 0.00 177.43 178.00 1yrl h TYR 422 N 0.22 -0.07 -0.77 0.67 0.99 -0.92 0.25 116.97 117.33 1yrl h TYR 422 Ca 0.31 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.22 1yrl h TYR 422 Cb 0.48 0.02 -0.13 0.00 1.00 0.00 0.00 36.73 38.10 1yrl h TYR 422 CO -0.27 0.12 0.07 1.25 -0.00 0.00 0.00 178.16 179.33 1yrl h LEU 423 N -0.26 -0.24 0.10 3.88 5.85 -0.52 0.11 115.31 124.23 1yrl h LEU 423 Ca -0.01 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1yrl h LEU 423 Cb 0.23 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1yrl h LEU 423 CO 0.01 -0.16 -0.05 0.15 -0.34 0.00 0.00 178.44 178.06 1yrl h PHE 424 N 0.14 -0.13 -0.89 1.25 3.57 -1.07 -3.33 116.94 116.48 1yrl h PHE 424 Ca 0.43 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.16 1yrl h PHE 424 Cb 0.78 0.04 -0.13 0.00 2.79 0.00 0.00 35.95 39.43 1yrl h PHE 424 CO -0.37 -0.08 0.36 0.66 -2.23 0.00 0.00 178.31 176.64 1yrl h SER 425 N -0.42 0.25 0.30 0.41 4.64 -0.37 0.55 113.55 118.91 1yrl h SER 425 Ca -0.01 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1yrl h SER 425 Cb 0.11 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1yrl h SER 425 CO 0.02 -0.05 0.00 -1.22 -0.87 0.00 0.00 176.83 174.71 1yrl n TYR 426 N -5.09 0.00 -0.10 4.77 4.02 0.37 -1.60 117.16 119.53 1yrl n TYR 426 Ca 0.22 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.98 1yrl n TYR 426 Cb 0.68 -0.32 -0.09 0.00 -0.02 0.00 0.00 39.34 39.59 1yrl n TYR 426 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yrl n ALA 427 N -1.32 1.59 0.32 -0.72 0.00 0.16 -4.59 120.51 115.95 1yrl n ALA 427 Ca 0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 53.44 52.49 1yrl n ALA 427 Cb 0.12 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 1yrl n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yrl h VAL 429 N -0.84 0.04 0.33 0.00 2.07 -1.56 -0.87 116.25 115.42 1yrl h VAL 429 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1yrl h VAL 429 Cb 0.62 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1yrl h VAL 429 CO 0.13 0.00 -0.16 -0.65 0.02 0.00 0.00 177.57 176.91 1yrl h PRO 430 N -0.04 -0.42 -1.02 1.57 0.11 -1.81 -2.67 132.00 127.72 1yrl h PRO 430 Ca 0.32 0.03 0.34 0.00 0.11 0.00 0.00 66.00 66.80 1yrl h PRO 430 Cb 0.58 0.10 -0.15 0.00 0.11 0.00 0.00 31.00 31.64 1yrl h PRO 430 CO -0.92 -0.26 0.58 1.25 -0.21 0.00 0.00 178.00 178.44 1yrl h LEU 431 N -0.47 0.48 -0.84 2.35 5.85 -1.02 0.35 115.31 122.00 1yrl h LEU 431 Ca -0.05 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1yrl h LEU 431 Cb 0.36 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1yrl h LEU 431 CO 0.07 -0.18 -0.02 0.18 -0.34 0.00 0.00 178.44 178.16 1yrl n LEU 432 N -5.06 1.33 0.03 2.25 4.32 -0.56 -4.38 117.00 114.93 1yrl n LEU 432 Ca 0.33 -0.44 -0.11 0.00 -0.02 0.00 0.00 56.01 55.77 1yrl n LEU 432 Cb 1.05 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.80 1yrl n LEU 432 CO 0.09 0.22 0.67 0.50 -1.22 0.00 0.00 177.39 177.66 1yrl h LYS 433 N 2.06 -0.37 -0.03 3.23 3.64 0.03 -1.44 116.57 123.69 1yrl h LYS 433 Ca 0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1yrl h LYS 433 Cb 0.46 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1yrl h LYS 433 CO 0.00 -0.25 -0.06 -1.00 -2.27 0.00 0.00 179.45 175.87 1yrl h PRO 434 N -0.38 -0.09 -0.69 1.90 0.13 -1.76 -2.05 132.00 129.06 1yrl h PRO 434 Ca 0.08 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.36 1yrl h PRO 434 Cb 0.51 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.53 1yrl h PRO 434 CO -0.29 -0.06 -0.16 0.35 -0.23 0.00 0.00 178.00 177.61 1yrl h PHE 435 N -0.09 -0.35 -0.42 1.56 3.57 -1.75 0.55 116.94 120.02 1yrl h PHE 435 Ca 0.04 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1yrl h PHE 435 Cb 0.14 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1yrl h PHE 435 CO -0.14 -0.29 0.11 0.52 -2.23 0.00 0.00 178.31 176.27 1yrl h MET 436 N 0.00 0.24 0.00 1.11 2.86 -0.93 -0.32 114.93 117.90 1yrl h MET 436 Ca 0.33 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1yrl h MET 436 Cb 0.51 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1yrl h MET 436 CO -0.70 0.16 0.00 0.00 1.06 0.00 0.00 176.91 177.43 1yrl n ALA 437 N -2.43 1.52 -0.07 6.32 0.00 0.17 -1.34 120.51 124.67 1yrl n ALA 437 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1yrl n ALA 437 Cb 0.18 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1yrl n ALA 437 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yrl n GLU 438 N -0.84 -0.28 -1.67 0.00 -0.58 -0.13 -5.06 120.64 112.07 1yrl n GLU 438 Ca 0.00 -0.63 -0.40 0.00 -0.42 0.00 0.00 57.16 55.71 1yrl n GLU 438 Cb 0.00 -0.96 0.02 0.00 -0.57 0.00 0.00 31.44 29.93 1yrl n GLU 438 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1yrl n LEU 439 N -0.08 3.85 -4.96 -4.62 4.77 -0.45 -5.00 117.00 110.51 1yrl n LEU 439 Ca 0.00 1.03 -0.22 0.00 -0.03 0.00 0.00 56.01 56.79 1yrl n LEU 439 Cb 0.06 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 39.67 1yrl n LEU 439 CO 0.00 -1.01 -0.05 -1.10 -1.33 0.00 0.00 177.39 173.90 1yrl s GLN 440 N -2.34 3.43 0.17 3.23 -0.21 -1.26 -5.02 119.66 117.66 1yrl s GLN 440 Ca 0.65 -0.74 -0.32 0.00 0.02 0.00 0.00 55.36 54.97 1yrl s GLN 440 Cb -0.49 -2.89 -0.11 0.00 1.00 0.00 0.00 33.01 30.51 1yrl s GLN 440 CO 0.55 0.44 1.76 -1.25 -2.12 0.00 0.00 175.29 174.67 1yrl s PRO 441 N -3.86 4.13 0.00 2.91 0.04 -1.26 -1.75 135.00 135.21 1yrl s PRO 441 Ca 0.34 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1yrl s PRO 441 Cb -0.09 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1yrl s PRO 441 CO 0.29 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1yrl n GLY 442 N 4.07 1.72 0.09 0.56 0.00 -1.26 -4.97 105.19 105.40 1yrl n GLY 442 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1yrl n GLY 442 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yrl h ASP 443 N 0.74 0.17 -3.22 1.61 3.32 -1.56 -3.41 116.42 114.06 1yrl h ASP 443 Ca 0.00 -0.18 -0.25 0.00 0.02 0.00 0.00 57.03 56.62 1yrl h ASP 443 Cb 0.00 -0.04 -0.33 0.00 0.22 0.00 0.00 39.33 39.18 1yrl h ASP 443 CO 0.00 0.30 -0.59 -0.22 -1.72 0.00 0.00 179.24 177.01 1yrl s LEU 444 N -9.82 0.26 0.00 1.55 2.96 -1.26 -0.27 118.68 112.10 1yrl s LEU 444 Ca -0.14 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1yrl s LEU 444 Cb 0.06 0.43 0.00 0.00 0.50 0.00 0.00 46.19 47.18 1yrl s LEU 444 CO 0.69 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 176.14 1yrl n GLY 445 N 4.76 2.18 3.76 7.98 0.00 -0.40 -4.96 105.19 118.52 1yrl n GLY 445 Ca -0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1yrl n GLY 445 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrl s LYS 446 N 0.00 4.76 0.78 1.61 2.20 -1.26 -4.56 119.74 123.27 1yrl s LYS 446 Ca 0.00 1.38 -0.11 0.00 -0.36 0.00 0.00 55.97 56.88 1yrl s LYS 446 Cb 0.00 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.10 1yrl s LYS 446 CO 0.00 0.52 1.08 0.00 -0.36 0.00 0.00 175.35 176.60 1yrl s ALA 447 N -1.11 2.27 -0.28 3.13 0.00 -1.26 -4.04 121.76 120.46 1yrl s ALA 447 Ca 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1yrl s ALA 447 Cb -0.25 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1yrl s ALA 447 CO 0.30 -1.68 0.04 0.42 0.00 0.00 0.00 175.76 174.84 1yrl s ILE 448 N -3.04 3.66 0.21 0.00 1.01 -1.26 -4.75 121.20 117.03 1yrl s ILE 448 Ca 0.60 -0.76 -0.32 0.00 0.00 0.00 0.00 60.65 60.17 1yrl s ILE 448 Cb -0.15 -2.87 -0.13 0.00 0.01 0.00 0.00 42.46 39.32 1yrl s ILE 448 CO 0.55 0.13 1.54 -0.81 0.00 0.00 0.00 174.94 176.35 1yrl n PRO 449 N 4.81 2.26 -2.02 2.79 -0.04 -1.26 -4.61 135.00 136.93 1yrl n PRO 449 Ca -0.15 0.81 -0.37 0.00 -0.04 0.00 0.00 63.50 63.75 1yrl n PRO 449 Cb 0.48 -2.55 0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1yrl n PRO 449 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yrl s GLU 450 N 0.29 3.29 0.04 0.54 8.01 -1.26 -4.75 118.70 124.86 1yrl s GLU 450 Ca 0.73 1.95 -0.05 0.00 0.01 0.00 0.00 54.97 57.60 1yrl s GLU 450 Cb -0.62 -2.20 0.02 0.00 -4.31 0.00 0.00 34.13 27.02 1yrl s GLU 450 CO 0.43 -0.98 0.25 0.41 0.01 0.00 0.00 175.26 175.37 1yrl n GLY 451 N 0.56 1.05 3.82 -1.39 0.00 -1.26 -5.02 105.19 102.95 1yrl n GLY 451 Ca 0.10 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1yrl n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl s ALA 452 N -1.24 2.81 0.08 4.61 0.00 -1.26 -4.56 121.76 122.19 1yrl s ALA 452 Ca 0.06 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1yrl s ALA 452 Cb -0.01 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1yrl s ALA 452 CO 0.01 -0.87 0.27 0.14 0.00 0.00 0.00 175.76 175.31 1yrl s VAL 453 N -2.79 0.10 -0.15 0.00 -7.23 -1.26 -4.85 120.40 104.22 1yrl s VAL 453 Ca 0.60 -0.86 -0.33 0.00 -1.81 0.00 0.00 61.98 59.58 1yrl s VAL 453 Cb -0.14 -1.13 -0.10 0.00 0.56 0.00 0.00 36.38 35.57 1yrl s VAL 453 CO 0.45 -0.47 2.00 -0.67 -0.31 0.00 0.00 175.10 176.10 1yrl n ASP 454 N 0.20 3.26 -0.27 4.85 2.03 -1.26 -4.84 116.55 120.52 1yrl n ASP 454 Ca -0.17 0.73 0.08 0.00 0.52 0.00 0.00 54.79 55.96 1yrl n ASP 454 Cb 0.61 -1.40 0.22 0.00 -0.72 0.00 0.00 41.12 39.84 1yrl n ASP 454 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1yrl h ASN 455 N 10.92 0.03 -0.29 1.67 -0.26 -1.99 -0.37 115.58 125.30 1yrl h ASN 455 Ca -0.44 0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.44 1yrl h ASN 455 Cb 1.27 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.73 1yrl h ASN 455 CO 0.96 -0.07 0.08 1.23 -1.06 0.00 0.00 177.43 178.57 1yrl h GLY 456 N 0.27 0.49 1.05 2.83 0.00 -1.99 -1.15 103.07 104.56 1yrl h GLY 456 Ca 0.47 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1yrl h GLY 456 CO -0.56 0.28 0.26 -1.61 0.00 0.00 0.00 176.54 174.91 1yrl h GLN 457 N 0.30 1.14 -0.73 4.80 4.15 -1.68 0.46 115.11 123.55 1yrl h GLN 457 Ca 0.09 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 1yrl h GLN 457 Cb 0.27 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1yrl h GLN 457 CO -0.00 0.95 0.31 1.25 -1.93 0.00 0.00 178.83 179.41 1yrl h LEU 458 N 1.09 0.99 0.16 -2.39 5.85 -0.94 -0.03 115.31 120.04 1yrl h LEU 458 Ca 0.24 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1yrl h LEU 458 Cb 0.27 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1yrl h LEU 458 CO -0.01 0.88 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.80 1yrl h ARG 459 N 1.04 -0.20 -0.10 1.25 2.43 -0.69 -0.87 114.38 117.24 1yrl h ARG 459 Ca 0.25 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1yrl h ARG 459 Cb 0.18 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1yrl h ARG 459 CO -0.02 0.03 -0.19 -0.44 -1.51 0.00 0.00 179.97 177.83 1yrl h ASP 460 N -0.42 0.16 0.00 -3.80 3.32 -0.81 -2.04 116.42 112.83 1yrl h ASP 460 Ca -0.02 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1yrl h ASP 460 Cb 0.33 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1yrl h ASP 460 CO 0.04 0.37 -0.26 0.58 -1.72 0.00 0.00 179.24 178.24 1yrl h VAL 461 N 0.16 1.55 -0.82 -1.35 2.07 -0.96 -2.14 116.25 114.76 1yrl h VAL 461 Ca 0.03 -1.96 0.14 0.00 0.82 0.00 0.00 66.70 65.73 1yrl h VAL 461 Cb 0.44 2.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 1yrl h VAL 461 CO 0.03 0.54 0.54 0.78 0.02 0.00 0.00 177.57 179.47 1yrl h ASN 462 N -0.50 0.54 -0.14 0.57 -0.26 -1.00 -1.75 115.58 113.04 1yrl h ASN 462 Ca -0.03 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1yrl h ASN 462 Cb 1.02 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 1yrl h ASN 462 CO 0.05 0.28 -0.44 -0.33 -1.06 0.00 0.00 177.43 175.93 1yrl h GLU 463 N 0.57 0.55 -0.46 0.81 4.39 -1.38 -2.93 114.58 116.13 1yrl h GLU 463 Ca 0.40 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1yrl h GLU 463 Cb 0.75 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1yrl h GLU 463 CO -0.16 1.02 0.30 0.00 -1.16 0.00 0.00 179.01 179.01 1yrl h ALA 464 N 0.52 1.66 0.26 3.43 0.00 -0.65 0.88 119.26 125.36 1yrl h ALA 464 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1yrl h ALA 464 Cb 1.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1yrl h ALA 464 CO 0.09 0.31 -0.12 0.82 0.00 0.00 0.00 179.25 180.35 1yrl h ILE 465 N 0.62 0.74 0.00 0.00 2.04 -1.33 -2.96 117.51 116.62 1yrl h ILE 465 Ca 0.17 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1yrl h ILE 465 Cb -0.06 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1yrl h ILE 465 CO -0.04 0.15 0.00 -2.11 0.00 0.00 0.00 178.15 176.15 1yrl n ARG 466 N -5.06 0.07 0.00 2.37 1.85 -1.11 -2.55 116.66 112.23 1yrl n ARG 466 Ca -0.09 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.06 1yrl n ARG 466 Cb 0.26 -1.61 0.47 0.00 -1.05 0.00 0.00 32.46 30.54 1yrl n ARG 466 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1yrl n SER 467 N -1.74 0.47 -4.75 2.89 2.88 0.29 -4.31 113.62 109.36 1yrl n SER 467 Ca 0.05 -0.32 -0.36 0.00 -1.33 0.00 0.00 58.87 56.91 1yrl n SER 467 Cb 0.29 -0.03 0.04 0.00 -0.75 0.00 0.00 64.21 63.76 1yrl n SER 467 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1yrl s HIS 468 N -2.73 2.37 0.42 0.66 5.04 -1.06 -4.83 115.29 115.17 1yrl s HIS 468 Ca 0.20 1.50 0.12 0.00 -1.54 0.00 0.00 55.06 55.35 1yrl s HIS 468 Cb 0.19 -3.52 0.98 0.00 0.04 0.00 0.00 32.58 30.27 1yrl s HIS 468 CO 0.56 -2.29 1.99 0.00 -2.34 0.00 0.00 174.74 172.65 1yrl h ALA 469 N 0.95 1.94 0.00 1.58 0.00 -1.91 -1.21 119.26 120.61 1yrl h ALA 469 Ca -0.50 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1yrl h ALA 469 Cb 1.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1yrl h ALA 469 CO 0.55 -0.06 -0.65 0.97 0.00 0.00 0.00 179.25 180.06 1yrl h ILE 470 N 0.46 1.18 0.00 0.00 2.10 -1.95 -2.68 117.51 116.61 1yrl h ILE 470 Ca 0.26 -2.48 -0.11 0.00 1.08 0.00 0.00 64.86 63.61 1yrl h ILE 470 Cb 0.43 2.45 -0.02 0.00 -1.09 0.00 0.00 36.82 38.60 1yrl h ILE 470 CO -0.07 0.63 -0.55 -0.33 -1.08 0.00 0.00 178.15 176.75 1yrl h GLU 471 N 0.00 0.00 -0.00 2.19 4.39 -1.55 0.53 114.58 120.14 1yrl h GLU 471 Ca -0.01 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1yrl h GLU 471 Cb 1.40 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1yrl h GLU 471 CO 0.08 0.55 -0.63 1.96 -1.16 0.00 0.00 179.01 179.81 1yrl h GLN 472 N 0.00 0.43 0.03 2.33 4.20 -1.28 -2.42 115.11 118.40 1yrl h GLN 472 Ca -0.01 -0.46 -0.24 0.00 0.06 0.00 0.00 58.65 58.01 1yrl h GLN 472 Cb 1.27 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1yrl h GLN 472 CO 0.07 1.12 -1.01 -0.39 -0.67 0.00 0.00 178.83 177.95 1yrl h VAL 473 N -0.07 1.42 -0.58 -0.54 -1.51 -1.53 -2.54 116.25 110.91 1yrl h VAL 473 Ca -0.08 -2.58 0.01 0.00 -1.23 0.00 0.00 66.70 62.83 1yrl h VAL 473 Cb 1.34 2.53 -0.03 0.00 -2.13 0.00 0.00 31.29 33.00 1yrl h VAL 473 CO 0.12 0.76 0.38 1.23 -1.23 0.00 0.00 177.57 178.84 1yrl h GLY 474 N 1.30 0.80 0.60 5.19 0.00 -0.97 0.42 103.07 110.41 1yrl h GLY 474 Ca -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1yrl h GLY 474 CO 0.17 0.28 -0.10 1.70 0.00 0.00 0.00 176.54 178.59 1yrl h LYS 475 N 0.75 -0.27 -0.84 4.80 3.64 -1.29 0.83 116.57 124.20 1yrl h LYS 475 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1yrl h LYS 475 Cb -0.04 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1yrl h LYS 475 CO -0.05 0.09 0.50 -0.22 -2.27 0.00 0.00 179.45 177.50 1yrl h LYS 476 N -0.69 0.86 -0.19 1.90 3.64 -1.01 0.16 116.57 121.25 1yrl h LYS 476 Ca -0.03 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1yrl h LYS 476 Cb 0.48 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1yrl h LYS 476 CO 0.05 0.57 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.50 1yrl h LEU 477 N 0.89 0.52 -1.59 5.20 3.38 -0.13 -2.54 115.31 121.04 1yrl h LEU 477 Ca 0.38 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1yrl h LEU 477 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1yrl h LEU 477 CO -0.20 0.92 -0.06 0.03 0.09 0.00 0.00 178.44 179.22 1yrl h ARG 478 N 0.14 0.19 -0.36 1.13 3.08 -0.39 -1.25 114.38 116.91 1yrl h ARG 478 Ca 0.02 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1yrl h ARG 478 Cb 0.79 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1yrl h ARG 478 CO 0.05 0.26 -0.07 0.78 -1.07 0.00 0.00 179.97 179.93 1yrl h GLY 479 N 0.53 0.65 0.23 0.04 0.00 -0.52 -2.34 103.07 101.66 1yrl h GLY 479 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1yrl h GLY 479 CO 0.01 0.40 -0.11 -0.97 0.00 0.00 0.00 176.54 175.87 1yrl h TYR 480 N 0.56 -0.29 0.00 5.60 0.99 -0.85 -2.86 116.97 120.13 1yrl h TYR 480 Ca 0.11 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1yrl h TYR 480 Cb 0.46 0.09 0.00 0.00 1.00 0.00 0.00 36.73 38.28 1yrl h TYR 480 CO 0.02 -0.18 0.42 -1.33 -0.00 0.00 0.00 178.16 177.09 1yrl n MET 481 N -3.52 0.04 -0.04 4.88 2.81 -0.63 0.42 117.12 121.08 1yrl n MET 481 Ca -0.04 0.42 -0.21 0.00 -1.81 0.00 0.00 57.70 56.06 1yrl n MET 481 Cb 0.12 -2.05 -0.13 0.00 -0.71 0.00 0.00 33.22 30.45 1yrl n MET 481 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1yrl h THR 482 N 0.00 0.93 0.00 2.03 2.02 -1.38 -3.22 112.91 113.30 1yrl h THR 482 Ca 0.00 -2.30 -0.01 0.00 0.77 0.00 0.00 66.41 64.87 1yrl h THR 482 Cb 0.84 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1yrl h THR 482 CO 0.00 0.59 -0.04 0.44 0.37 0.00 0.00 175.52 176.88 1yrl h ASP 483 N -0.52 0.00 -0.14 4.18 3.32 0.20 0.01 116.42 123.47 1yrl h ASP 483 Ca -0.33 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.58 1yrl h ASP 483 Cb 1.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 1yrl h ASP 483 CO -0.04 0.04 -0.37 0.24 -1.72 0.00 0.00 179.24 177.39 1yrl h MET 484 N 0.00 0.66 0.00 3.56 2.86 -1.51 -2.61 114.93 117.88 1yrl h MET 484 Ca -0.00 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1yrl h MET 484 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1yrl h MET 484 CO 0.01 0.93 -0.26 -0.22 1.06 0.00 0.00 176.91 178.42 1yrl h LYS 485 N 0.55 0.00 -0.81 1.72 3.64 -1.07 -2.94 116.57 117.67 1yrl h LYS 485 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1yrl h LYS 485 Cb 0.89 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1yrl h LYS 485 CO 0.08 0.26 0.46 0.00 -2.27 0.00 0.00 179.45 177.98 1yrl h ARG 486 N 0.00 1.12 -5.90 1.90 3.08 -0.77 -3.33 114.38 110.48 1yrl h ARG 486 Ca -0.00 -0.12 -0.55 0.00 0.07 0.00 0.00 59.98 59.38 1yrl h ARG 486 Cb 1.00 -0.23 -0.08 0.00 0.08 0.00 0.00 29.97 30.75 1yrl h ARG 486 CO 0.03 0.81 1.56 0.42 -1.07 0.00 0.00 179.97 181.72 1yrl s ILE 487 N -5.90 3.87 -0.01 2.04 1.01 -1.11 -4.45 121.20 116.66 1yrl s ILE 487 Ca -0.13 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.44 1yrl s ILE 487 Cb 0.16 -4.89 0.01 0.00 0.01 0.00 0.00 42.46 37.75 1yrl s ILE 487 CO 0.81 -1.71 0.82 0.00 0.00 0.00 0.00 174.94 174.85 1yrl n ALA 488 N 10.12 1.63 0.34 9.38 0.00 -1.25 -4.99 120.51 135.74 1yrl n ALA 488 Ca 0.41 -0.88 0.03 0.00 0.00 0.00 0.00 53.44 52.99 1yrl n ALA 488 Cb 0.48 -0.03 0.16 0.00 0.00 0.00 0.00 19.45 20.06 1yrl n ALA 488 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78