#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xky s ILE 2 N 0.00 2.43 -0.26 1.12 2.07 -1.26 -5.02 121.20 120.28 1xky s ILE 2 Ca 0.00 0.37 0.02 0.00 -1.41 0.00 0.00 60.65 59.63 1xky s ILE 2 Cb 0.00 -3.22 0.07 0.00 0.13 0.00 0.00 42.46 39.44 1xky s ILE 2 CO 0.00 0.05 -0.05 -0.62 -1.91 0.00 0.00 174.94 172.41 1xky s ASP 3 N -0.73 4.19 0.00 4.50 -1.08 -1.26 -4.98 116.67 117.31 1xky s ASP 3 Ca 0.60 -1.43 0.29 0.00 -0.52 0.00 0.00 52.55 51.49 1xky s ASP 3 Cb -0.39 -1.34 1.30 0.00 -1.46 0.00 0.00 42.92 41.02 1xky s ASP 3 CO 0.50 -0.25 1.92 0.49 0.52 0.00 0.00 175.17 178.34 1xky n PHE 4 N 4.54 0.00 -4.37 -5.34 3.72 -1.26 -4.78 117.46 109.96 1xky n PHE 4 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1xky n PHE 4 Cb 0.43 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1xky n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xky n GLY 5 N 1.32 -0.55 0.09 1.37 0.00 -1.26 -3.69 105.19 102.47 1xky n GLY 5 Ca 0.13 -1.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 1xky n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xky n THR 6 N 0.00 1.19 -3.75 2.61 -2.24 -1.26 -4.64 114.28 106.18 1xky n THR 6 Ca 0.00 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 1xky n THR 6 Cb 0.00 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.35 1xky n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xky s ILE 7 N -2.92 1.05 -0.17 2.28 1.01 -1.26 -1.11 121.20 120.08 1xky s ILE 7 Ca -0.03 -1.61 -0.19 0.00 0.00 0.00 0.00 60.65 58.81 1xky s ILE 7 Cb 0.09 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1xky s ILE 7 CO 0.81 -0.70 0.56 0.00 0.00 0.00 0.00 174.94 175.61 1xky s ALA 8 N 1.41 3.51 -0.16 9.38 0.00 -0.64 -0.31 121.76 134.96 1xky s ALA 8 Ca 0.11 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1xky s ALA 8 Cb -0.18 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1xky s ALA 8 CO -0.21 -0.36 0.31 0.99 0.00 0.00 0.00 175.76 176.49 1xky s THR 9 N 1.45 5.30 -1.14 0.00 2.01 0.20 0.29 115.64 123.75 1xky s THR 9 Ca 0.27 0.57 -0.18 0.00 0.31 0.00 0.00 61.69 62.66 1xky s THR 9 Cb -0.16 -3.64 0.10 0.00 0.01 0.00 0.00 72.50 68.81 1xky s THR 9 CO 0.11 0.38 1.48 0.00 -0.69 0.00 0.00 174.62 175.90 1xky s ALA 10 N 0.51 3.33 0.21 7.40 0.00 0.23 -0.50 121.76 132.94 1xky s ALA 10 Ca 0.17 -2.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.01 1xky s ALA 10 Cb -0.13 -4.39 -0.09 0.00 0.00 0.00 0.00 23.12 18.51 1xky s ALA 10 CO 0.04 -3.20 1.33 1.41 0.00 0.00 0.00 175.76 175.33 1xky s MET 11 N 3.53 4.37 0.72 0.00 1.75 -0.60 -4.61 119.30 124.47 1xky s MET 11 Ca 0.45 2.09 -0.14 0.00 -1.25 0.00 0.00 55.69 56.85 1xky s MET 11 Cb -0.00 -3.18 0.03 0.00 2.84 0.00 0.00 34.83 34.52 1xky s MET 11 CO -0.02 -0.27 1.13 0.14 -0.65 0.00 0.00 175.02 175.35 1xky s VAL 12 N 0.04 2.96 -0.40 10.11 -7.23 -1.26 -2.81 120.40 121.81 1xky s VAL 12 Ca 0.57 0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 61.04 1xky s VAL 12 Cb -0.37 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 33.73 1xky s VAL 12 CO 0.39 -0.31 0.24 -0.89 -0.31 0.00 0.00 175.10 174.23 1xky s THR 13 N -2.40 4.53 0.33 5.32 2.01 -1.26 -4.86 115.64 119.31 1xky s THR 13 Ca 0.67 -1.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 1xky s THR 13 Cb -0.22 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 1xky s THR 13 CO 0.47 -0.37 1.37 -2.84 -0.69 0.00 0.00 174.62 172.56 1xky s PRO 14 N 1.52 4.28 0.13 4.92 0.02 -1.26 -4.98 135.00 139.63 1xky s PRO 14 Ca 0.02 2.32 0.11 0.00 0.02 0.00 0.00 61.00 63.47 1xky s PRO 14 Cb -0.21 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1xky s PRO 14 CO 0.05 -0.31 -0.26 -0.06 -0.33 0.00 0.00 177.00 176.10 1xky s PHE 15 N -1.00 2.34 0.41 6.54 2.99 -0.72 -1.55 117.98 126.99 1xky s PHE 15 Ca 0.51 -0.36 -0.03 0.00 0.00 0.00 0.00 56.93 57.05 1xky s PHE 15 Cb -0.42 -1.26 0.09 0.00 0.00 0.00 0.00 43.02 41.43 1xky s PHE 15 CO 0.55 0.35 0.56 -0.40 -0.00 0.00 0.00 175.22 176.28 1xky n ASP 16 N 0.87 0.45 0.29 1.36 5.68 0.16 -3.58 116.55 121.78 1xky n ASP 16 Ca -0.18 -1.45 0.18 0.00 -0.50 0.00 0.00 54.79 52.85 1xky n ASP 16 Cb 0.53 -0.39 0.98 0.00 -1.14 0.00 0.00 41.12 41.10 1xky n ASP 16 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xky h ILE 17 N -0.82 0.30 -0.54 2.12 2.10 -2.00 -0.22 117.51 118.45 1xky h ILE 17 Ca -0.18 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1xky h ILE 17 Cb 0.60 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1xky h ILE 17 CO 0.17 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.83 1xky n ASN 18 N -3.51 3.68 -0.00 2.19 5.03 -1.26 -4.94 115.26 116.44 1xky n ASN 18 Ca -0.02 -2.00 -0.00 0.00 0.87 0.00 0.00 54.58 53.43 1xky n ASN 18 Cb 0.17 -0.35 -0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1xky n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xky n GLY 19 N 1.58 0.48 3.93 7.41 0.00 -0.09 -5.05 105.19 113.45 1xky n GLY 19 Ca 0.22 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1xky n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xky s ASN 20 N -2.06 6.13 0.21 1.61 0.02 -1.26 -4.72 114.94 114.87 1xky s ASN 20 Ca 0.00 0.64 -0.32 0.00 -1.02 0.00 0.00 52.86 52.16 1xky s ASN 20 Cb 0.00 -2.00 -0.12 0.00 0.02 0.00 0.00 41.25 39.15 1xky s ASN 20 CO 0.00 -0.56 1.71 -0.38 0.02 0.00 0.00 177.10 177.89 1xky n ILE 21 N -2.11 0.07 -3.50 0.60 5.41 -1.26 0.36 119.36 118.92 1xky n ILE 21 Ca -0.01 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.31 1xky n ILE 21 Cb 0.56 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.47 1xky n ILE 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xky s ASP 22 N 1.11 5.87 0.27 4.38 -1.08 -0.59 -4.67 116.67 121.96 1xky s ASP 22 Ca 0.75 -2.11 0.05 0.00 -0.52 0.00 0.00 52.55 50.72 1xky s ASP 22 Cb -0.52 -2.05 0.37 0.00 -1.46 0.00 0.00 42.92 39.26 1xky s ASP 22 CO 0.34 -0.67 1.64 -0.26 0.52 0.00 0.00 175.17 176.74 1xky h PHE 23 N 8.26 0.30 -0.14 -5.34 -1.00 -1.92 -1.32 116.94 115.78 1xky h PHE 23 Ca -0.16 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 1xky h PHE 23 Cb 1.06 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 1xky h PHE 23 CO 0.72 0.69 0.08 0.00 -1.61 0.00 0.00 178.31 178.18 1xky h ALA 24 N 1.30 0.18 -0.47 2.45 0.00 -1.99 -0.90 119.26 119.82 1xky h ALA 24 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xky h ALA 24 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1xky h ALA 24 CO 0.08 -0.30 0.09 0.87 0.00 0.00 0.00 179.25 179.99 1xky h LYS 25 N 0.14 0.72 -0.73 0.00 1.57 -1.89 -2.54 116.57 113.84 1xky h LYS 25 Ca 0.05 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1xky h LYS 25 Cb 0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1xky h LYS 25 CO -0.01 0.67 0.44 1.15 -0.57 0.00 0.00 179.45 181.14 1xky h THR 26 N 0.70 1.21 -0.34 -0.16 2.02 -0.88 -1.01 112.91 114.44 1xky h THR 26 Ca 0.15 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1xky h THR 26 Cb 0.29 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1xky h THR 26 CO 0.00 0.21 0.18 0.74 0.37 0.00 0.00 175.52 177.03 1xky h THR 27 N 1.00 1.01 -0.23 3.16 2.02 -0.78 -1.00 112.91 118.08 1xky h THR 27 Ca 0.26 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1xky h THR 27 Cb -0.04 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1xky h THR 27 CO -0.05 0.07 0.11 0.11 0.37 0.00 0.00 175.52 176.13 1xky h LYS 28 N 0.38 0.23 -0.33 6.66 1.57 -1.19 -2.38 116.57 121.51 1xky h LYS 28 Ca 0.14 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1xky h LYS 28 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1xky h LYS 28 CO -0.08 0.15 0.20 1.25 -0.57 0.00 0.00 179.45 180.40 1xky h LEU 29 N 0.24 0.32 -0.25 2.94 5.85 -0.96 -0.74 115.31 122.72 1xky h LEU 29 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1xky h LEU 29 Cb 0.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xky h LEU 29 CO -0.07 0.23 0.15 0.58 -0.34 0.00 0.00 178.44 178.99 1xky h VAL 30 N 0.40 1.09 -0.70 1.05 2.07 -1.03 -0.15 116.25 118.97 1xky h VAL 30 Ca 0.13 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1xky h VAL 30 Cb -0.00 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1xky h VAL 30 CO -0.06 0.09 0.28 0.78 0.02 0.00 0.00 177.57 178.68 1xky h ASN 31 N 0.31 0.97 0.16 0.57 2.35 -1.32 -1.61 115.58 117.01 1xky h ASN 31 Ca 0.09 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xky h ASN 31 Cb 0.01 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1xky h ASN 31 CO -0.02 0.88 -0.16 0.22 -1.65 0.00 0.00 177.43 176.71 1xky h TYR 32 N 1.00 -0.41 -0.38 1.19 3.20 -0.80 -2.51 116.97 118.26 1xky h TYR 32 Ca 0.23 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1xky h TYR 32 Cb 0.21 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1xky h TYR 32 CO 0.02 -0.24 0.11 -0.07 -1.64 0.00 0.00 178.16 176.34 1xky h LEU 33 N -0.34 0.09 -1.60 2.82 3.38 -0.79 -1.18 115.31 117.69 1xky h LEU 33 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xky h LEU 33 Cb 0.32 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xky h LEU 33 CO -0.04 0.09 0.00 0.40 0.09 0.00 0.00 178.44 178.98 1xky h ILE 34 N 0.25 1.11 -0.01 1.22 2.04 -1.27 -1.00 117.51 119.86 1xky h ILE 34 Ca 0.18 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xky h ILE 34 Cb 0.18 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1xky h ILE 34 CO -0.20 0.15 -0.17 0.47 0.00 0.00 0.00 178.15 178.40 1xky n ASP 35 N -4.39 0.71 -2.29 1.72 8.00 -0.73 -4.13 116.55 115.44 1xky n ASP 35 Ca -0.00 -0.71 -0.18 0.00 0.71 0.00 0.00 54.79 54.61 1xky n ASP 35 Cb 0.17 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1xky n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xky n ASN 36 N -0.82 3.94 0.00 -2.24 3.02 -0.46 -4.97 115.26 113.74 1xky n ASN 36 Ca 0.14 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 1xky n ASN 36 Cb 0.31 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1xky n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xky n GLY 37 N -0.64 0.75 3.69 7.41 0.00 -1.17 -3.16 105.19 112.07 1xky n GLY 37 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1xky n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xky s THR 38 N -2.60 4.67 -0.71 2.61 2.01 -0.74 -4.64 115.64 116.24 1xky s THR 38 Ca 0.00 1.95 0.15 0.00 0.31 0.00 0.00 61.69 64.10 1xky s THR 38 Cb 0.00 -4.25 -0.16 0.00 0.01 0.00 0.00 72.50 68.09 1xky s THR 38 CO 0.00 -0.01 0.64 0.35 -0.69 0.00 0.00 174.62 174.91 1xky n THR 39 N 4.61 0.00 -3.51 -0.82 -2.24 0.58 -4.54 114.28 108.36 1xky n THR 39 Ca 0.09 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 1xky n THR 39 Cb 0.48 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1xky n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xky s ALA 40 N -2.41 -1.66 -0.14 6.98 0.00 -1.13 -4.14 121.76 119.25 1xky s ALA 40 Ca 0.06 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1xky s ALA 40 Cb 0.11 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1xky s ALA 40 CO 0.61 -0.46 -0.20 0.42 0.00 0.00 0.00 175.76 176.13 1xky s ILE 41 N -1.84 2.27 -0.29 0.00 1.01 -0.53 -0.63 121.20 121.19 1xky s ILE 41 Ca -0.08 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 1xky s ILE 41 Cb -0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1xky s ILE 41 CO 0.04 0.54 0.52 -0.69 0.00 0.00 0.00 174.94 175.34 1xky s VAL 42 N 0.81 5.05 -0.12 2.92 1.01 0.34 -0.35 120.40 130.06 1xky s VAL 42 Ca -0.07 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1xky s VAL 42 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1xky s VAL 42 CO -0.01 -0.00 -0.01 0.54 0.00 0.00 0.00 175.10 175.61 1xky s VAL 43 N 2.35 4.17 -1.25 2.92 0.11 0.11 -1.55 120.40 127.26 1xky s VAL 43 Ca 0.21 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1xky s VAL 43 Cb -0.15 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1xky s VAL 43 CO 0.10 0.55 0.43 0.61 -3.33 0.00 0.00 175.10 173.47 1xky n GLY 44 N 2.74 -0.27 0.00 6.54 0.00 -1.26 -1.19 105.19 111.75 1xky n GLY 44 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1xky n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xky n GLY 45 N -1.33 -0.11 0.26 -0.02 0.00 -1.26 -4.20 105.19 98.53 1xky n GLY 45 Ca -0.10 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 1xky n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xky h THR 46 N -0.33 0.92 0.00 2.61 2.02 -1.95 -0.58 112.91 115.59 1xky h THR 46 Ca 0.00 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1xky h THR 46 Cb 0.00 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1xky h THR 46 CO 0.00 0.11 -0.22 0.74 0.37 0.00 0.00 175.52 176.53 1xky h THR 47 N 0.63 0.58 -0.19 3.16 2.02 -1.86 -2.28 112.91 114.97 1xky h THR 47 Ca 0.31 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1xky h THR 47 Cb 0.25 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1xky h THR 47 CO -0.22 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1xky n GLY 48 N 0.00 0.19 3.60 2.16 0.00 -0.28 -4.22 105.19 106.65 1xky n GLY 48 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 1xky n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xky n GLU 49 N 0.08 -7.00 -0.35 1.61 1.02 -0.86 -4.23 120.64 110.91 1xky n GLU 49 Ca 0.07 0.79 0.13 0.00 -0.02 0.00 0.00 57.16 58.13 1xky n GLU 49 Cb 0.21 -5.77 0.32 0.00 -0.02 0.00 0.00 31.44 26.19 1xky n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xky h SER 50 N -2.31 0.78 -0.41 1.62 4.64 -1.60 -2.11 113.55 114.15 1xky h SER 50 Ca -0.58 0.10 0.12 0.00 -0.47 0.00 0.00 61.79 60.96 1xky h SER 50 Cb 1.36 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1xky h SER 50 CO 0.56 0.27 0.30 -0.65 -0.87 0.00 0.00 176.83 176.43 1xky h PRO 51 N 0.75 0.02 -0.09 4.77 0.11 -1.90 -2.63 132.00 133.02 1xky h PRO 51 Ca 0.58 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1xky h PRO 51 Cb 0.92 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xky h PRO 51 CO -0.39 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 177.66 1xky n THR 52 N -4.42 0.13 -3.29 -1.15 -2.24 -0.81 -4.92 114.28 97.58 1xky n THR 52 Ca 0.07 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.90 1xky n THR 52 Cb 0.48 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 1xky n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xky s LEU 53 N -1.45 4.46 0.77 3.22 1.43 -0.99 -5.09 118.68 121.04 1xky s LEU 53 Ca 0.23 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 1xky s LEU 53 Cb 0.16 -2.84 0.06 0.00 0.03 0.00 0.00 46.19 43.59 1xky s LEU 53 CO 0.23 0.20 1.08 0.42 0.23 0.00 0.00 176.35 178.52 1xky s THR 54 N -0.67 3.39 0.28 5.49 -4.23 -1.26 -4.84 115.64 113.80 1xky s THR 54 Ca 0.29 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.24 1xky s THR 54 Cb -0.18 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1xky s THR 54 CO 0.17 -0.59 1.87 -1.28 -0.54 0.00 0.00 174.62 174.25 1xky h SER 55 N -1.08 0.99 -0.57 3.99 0.87 -1.98 -0.60 113.55 115.17 1xky h SER 55 Ca -0.45 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1xky h SER 55 Cb 1.24 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1xky h SER 55 CO 0.54 0.60 -0.00 -0.33 -0.53 0.00 0.00 176.83 177.11 1xky h GLU 56 N 1.10 1.00 -0.60 2.24 3.07 -2.00 -2.20 114.58 117.19 1xky h GLU 56 Ca 0.45 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 1xky h GLU 56 Cb 0.27 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1xky h GLU 56 CO -0.19 1.00 0.27 0.93 -1.40 0.00 0.00 179.01 179.62 1xky h GLU 57 N 0.89 0.87 -0.08 2.33 5.08 -1.76 -1.77 114.58 120.15 1xky h GLU 57 Ca 0.16 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1xky h GLU 57 Cb 0.55 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1xky h GLU 57 CO 0.03 0.72 -0.07 0.87 -1.00 0.00 0.00 179.01 179.56 1xky h LYS 58 N 0.82 -0.09 -0.49 2.33 1.57 -0.88 0.08 116.57 119.92 1xky h LYS 58 Ca 0.20 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1xky h LYS 58 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1xky h LYS 58 CO -0.02 -0.06 0.11 0.28 -0.57 0.00 0.00 179.45 179.19 1xky h VAL 59 N -0.09 1.24 -0.77 0.50 2.07 -1.32 0.15 116.25 118.03 1xky h VAL 59 Ca 0.06 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1xky h VAL 59 Cb 0.17 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1xky h VAL 59 CO -0.13 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.25 1xky h ALA 60 N 0.98 1.02 -0.07 1.67 0.00 -1.14 -0.24 119.26 121.47 1xky h ALA 60 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xky h ALA 60 Cb 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xky h ALA 60 CO 0.00 0.28 0.03 1.25 0.00 0.00 0.00 179.25 180.81 1xky h LEU 61 N 0.94 0.10 -0.50 0.00 5.85 -0.53 -1.09 115.31 120.09 1xky h LEU 61 Ca 0.31 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1xky h LEU 61 Cb 0.03 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1xky h LEU 61 CO -0.12 0.25 0.16 1.88 -0.34 0.00 0.00 178.44 180.27 1xky h TYR 62 N -0.05 0.29 -0.52 1.25 0.05 -0.47 -1.02 116.97 116.49 1xky h TYR 62 Ca 0.02 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1xky h TYR 62 Cb 0.18 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1xky h TYR 62 CO -0.01 0.08 0.20 -0.09 -1.05 0.00 0.00 178.16 177.28 1xky h ARG 63 N 0.33 0.79 -0.45 4.88 2.43 -0.92 -1.21 114.38 120.22 1xky h ARG 63 Ca 0.24 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1xky h ARG 63 Cb 0.27 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1xky h ARG 63 CO -0.26 0.70 0.02 1.25 -1.51 0.00 0.00 179.97 180.17 1xky h HIS 64 N 0.70 0.84 -0.45 2.20 2.76 -0.84 -1.49 115.15 118.87 1xky h HIS 64 Ca 0.17 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1xky h HIS 64 Cb 0.22 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1xky h HIS 64 CO 0.01 0.81 0.05 0.28 -1.30 0.00 0.00 177.93 177.78 1xky h VAL 65 N 0.63 1.25 -0.56 5.26 2.07 -1.05 -1.46 116.25 122.39 1xky h VAL 65 Ca 0.13 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1xky h VAL 65 Cb 0.46 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1xky h VAL 65 CO 0.02 0.33 0.28 0.58 0.02 0.00 0.00 177.57 178.80 1xky h VAL 66 N 0.61 0.94 -0.41 2.57 2.07 -1.13 -1.21 116.25 119.70 1xky h VAL 66 Ca 0.13 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1xky h VAL 66 Cb 0.42 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1xky h VAL 66 CO 0.01 0.10 0.23 0.28 0.02 0.00 0.00 177.57 178.21 1xky h SER 67 N 0.54 0.51 -0.29 0.57 0.02 -0.88 -1.96 113.55 112.06 1xky h SER 67 Ca 0.25 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1xky h SER 67 Cb 0.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1xky h SER 67 CO -0.18 0.45 -0.23 0.58 -1.14 0.00 0.00 176.83 176.31 1xky h VAL 68 N 0.53 1.30 -0.73 2.27 2.07 -1.13 -3.11 116.25 117.44 1xky h VAL 68 Ca 0.14 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1xky h VAL 68 Cb 0.05 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1xky h VAL 68 CO -0.02 0.44 0.38 0.58 0.02 0.00 0.00 177.57 178.97 1xky h VAL 69 N 0.40 1.22 -6.55 2.57 2.07 -1.11 -3.47 116.25 111.38 1xky h VAL 69 Ca 0.05 -0.58 -0.51 0.00 0.82 0.00 0.00 66.70 66.48 1xky h VAL 69 Cb 0.78 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1xky h VAL 69 CO 0.06 0.25 -0.90 -0.67 0.02 0.00 0.00 177.57 176.33 1xky n ASP 70 N -4.35 -0.52 -0.32 0.57 4.64 -0.75 -1.70 116.55 114.12 1xky n ASP 70 Ca 0.07 -1.04 -0.04 0.00 -1.38 0.00 0.00 54.79 52.40 1xky n ASP 70 Cb 0.11 -2.88 -0.02 0.00 -1.04 0.00 0.00 41.12 37.29 1xky n ASP 70 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xky n LYS 71 N -4.42 -1.39 -0.04 -0.67 4.76 -1.26 -4.87 118.16 110.26 1xky n LYS 71 Ca -0.30 0.56 -0.09 0.00 -2.87 0.00 0.00 58.31 55.61 1xky n LYS 71 Cb 0.68 -4.69 0.07 0.00 -1.84 0.00 0.00 35.03 29.24 1xky n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xky h ARG 72 N 0.18 0.68 -4.16 1.97 3.08 -1.71 -3.45 114.38 110.97 1xky h ARG 72 Ca -0.09 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.49 1xky h ARG 72 Cb 0.82 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.73 1xky h ARG 72 CO 0.13 0.96 -0.64 0.14 -1.07 0.00 0.00 179.97 179.48 1xky s VAL 73 N -4.29 0.20 0.40 2.04 -7.23 -1.26 -5.07 120.40 105.19 1xky s VAL 73 Ca -0.08 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 1xky s VAL 73 Cb 0.12 -1.39 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1xky s VAL 73 CO 0.84 -0.91 1.35 -2.84 -0.31 0.00 0.00 175.10 173.23 1xky s PRO 74 N -3.70 3.98 -0.23 4.82 0.02 -1.26 -4.87 135.00 133.75 1xky s PRO 74 Ca 0.05 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 63.28 1xky s PRO 74 Cb 0.06 -2.80 -0.00 0.00 0.02 0.00 0.00 34.50 31.78 1xky s PRO 74 CO -0.09 -0.52 -0.02 0.08 -0.33 0.00 0.00 177.00 176.11 1xky s VAL 75 N -1.22 3.47 -0.23 3.83 1.01 -1.26 -1.45 120.40 124.55 1xky s VAL 75 Ca 0.56 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1xky s VAL 75 Cb -0.40 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1xky s VAL 75 CO 0.52 0.35 0.01 -0.63 0.00 0.00 0.00 175.10 175.36 1xky s ILE 76 N 1.48 3.86 -0.12 2.22 1.01 0.52 -0.65 121.20 129.51 1xky s ILE 76 Ca 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 1xky s ILE 76 Cb -0.15 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1xky s ILE 76 CO -0.02 0.39 0.28 0.00 0.00 0.00 0.00 174.94 175.58 1xky s ALA 77 N 1.45 3.67 -1.45 9.38 0.00 -0.58 0.08 121.76 134.32 1xky s ALA 77 Ca 0.05 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1xky s ALA 77 Cb -0.15 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.72 1xky s ALA 77 CO 0.00 0.27 2.21 0.41 0.00 0.00 0.00 175.76 178.65 1xky n GLY 78 N 2.84 4.45 0.11 0.00 0.00 -0.34 -0.67 105.19 111.58 1xky n GLY 78 Ca -0.14 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.26 1xky n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xky h THR 79 N 3.97 0.78 -3.37 2.61 1.35 -1.84 -3.45 112.91 112.96 1xky h THR 79 Ca 0.56 -2.22 -0.52 0.00 -0.55 0.00 0.00 66.41 63.67 1xky h THR 79 Cb 0.64 2.29 0.04 0.00 -1.73 0.00 0.00 68.15 69.39 1xky h THR 79 CO 1.87 0.44 0.70 -0.83 -0.25 0.00 0.00 175.52 177.46 1xky s GLY 80 N -4.63 2.38 0.00 5.82 0.00 -1.10 -4.60 107.32 105.19 1xky s GLY 80 Ca 0.01 1.21 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1xky s GLY 80 CO 0.78 2.18 0.00 -1.14 0.00 0.00 0.00 173.10 174.92 1xky n SER 81 N 2.53 1.42 -0.66 1.64 3.41 -1.26 -4.44 113.62 116.26 1xky n SER 81 Ca 0.07 -0.19 0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1xky n SER 81 Cb 0.42 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.52 1xky n SER 81 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xky n ASN 82 N -0.30 1.91 -4.02 4.04 2.04 -1.26 -4.49 115.26 113.18 1xky n ASN 82 Ca 0.00 -2.00 -0.31 0.00 -0.44 0.00 0.00 54.58 51.83 1xky n ASN 82 Cb 0.00 -0.24 -0.15 0.00 -2.53 0.00 0.00 39.78 36.86 1xky n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1xky s ASN 83 N -1.00 4.04 0.10 0.53 3.84 -1.26 -4.91 114.94 116.27 1xky s ASN 83 Ca 0.24 -1.21 -0.20 0.00 0.21 0.00 0.00 52.86 51.90 1xky s ASN 83 Cb 0.12 -1.39 -0.08 0.00 -0.55 0.00 0.00 41.25 39.35 1xky s ASN 83 CO 0.16 -0.19 1.64 0.74 -2.79 0.00 0.00 177.10 176.67 1xky h THR 84 N 6.64 1.16 -0.52 -5.21 2.02 -1.95 -0.68 112.91 114.35 1xky h THR 84 Ca -0.22 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1xky h THR 84 Cb 1.06 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1xky h THR 84 CO 0.46 0.15 0.32 -0.74 0.37 0.00 0.00 175.52 176.08 1xky h HIS 85 N 0.19 0.69 -0.56 3.16 -0.00 -1.98 -1.35 115.15 115.30 1xky h HIS 85 Ca 0.07 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.36 1xky h HIS 85 Cb 0.16 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1xky h HIS 85 CO -0.01 0.47 0.04 0.00 -0.00 0.00 0.00 177.93 178.43 1xky h ALA 86 N 1.16 1.03 -0.84 5.26 0.00 -1.97 -2.09 119.26 121.80 1xky h ALA 86 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xky h ALA 86 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1xky h ALA 86 CO -0.04 0.61 0.39 0.77 0.00 0.00 0.00 179.25 180.98 1xky h SER 87 N 0.86 1.11 -0.15 0.00 0.02 -0.62 -0.76 113.55 114.02 1xky h SER 87 Ca 0.17 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xky h SER 87 Cb 0.45 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1xky h SER 87 CO 0.02 0.95 0.07 0.40 -1.14 0.00 0.00 176.83 177.13 1xky h ILE 88 N 1.20 1.11 -0.12 3.27 2.04 -1.04 -0.94 117.51 123.04 1xky h ILE 88 Ca 0.29 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1xky h ILE 88 Cb 0.14 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1xky h ILE 88 CO -0.03 0.10 -0.03 -0.78 0.00 0.00 0.00 178.15 177.41 1xky h ASP 89 N 0.12 -0.13 0.04 1.72 3.58 -1.07 -1.13 116.42 119.55 1xky h ASP 89 Ca 0.05 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 1xky h ASP 89 Cb 0.10 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1xky h ASP 89 CO -0.01 -0.05 -0.23 0.25 -2.88 0.00 0.00 179.24 176.33 1xky h LEU 90 N -0.01 0.32 -0.51 2.28 5.85 -1.12 -2.17 115.31 119.96 1xky h LEU 90 Ca 0.06 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1xky h LEU 90 Cb 0.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1xky h LEU 90 CO -0.13 0.56 0.00 0.74 -0.34 0.00 0.00 178.44 179.27 1xky h THR 91 N 0.30 1.26 -0.52 1.05 2.02 -0.82 -1.28 112.91 114.92 1xky h THR 91 Ca 0.05 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1xky h THR 91 Cb 0.57 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1xky h THR 91 CO 0.04 0.38 0.34 0.50 0.37 0.00 0.00 175.52 177.16 1xky h LYS 92 N 0.76 0.69 -0.33 6.66 3.64 -0.93 -1.40 116.57 125.65 1xky h LYS 92 Ca 0.14 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1xky h LYS 92 Cb 0.52 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1xky h LYS 92 CO 0.03 0.46 -0.11 0.87 -2.27 0.00 0.00 179.45 178.42 1xky h LYS 93 N 0.71 0.57 -0.23 1.90 1.57 -1.23 -1.99 116.57 117.87 1xky h LYS 93 Ca 0.19 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1xky h LYS 93 Cb -0.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1xky h LYS 93 CO -0.04 0.67 -0.43 0.00 -0.57 0.00 0.00 179.45 179.09 1xky h ALA 94 N 1.36 0.36 -0.84 3.86 0.00 -1.04 -2.96 119.26 120.00 1xky h ALA 94 Ca 0.10 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xky h ALA 94 Cb 0.51 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1xky h ALA 94 CO 0.03 0.48 0.46 1.15 0.00 0.00 0.00 179.25 181.37 1xky h THR 95 N 0.41 0.82 0.00 0.00 2.02 -1.11 -2.03 112.91 113.02 1xky h THR 95 Ca 0.01 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1xky h THR 95 Cb 1.03 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1xky h THR 95 CO 0.10 0.13 -0.09 -0.33 0.37 0.00 0.00 175.52 175.69 1xky h GLU 96 N 0.71 0.00 -0.56 6.66 5.08 -1.20 -2.52 114.58 122.75 1xky h GLU 96 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1xky h GLU 96 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xky h GLU 96 CO -0.30 0.09 0.00 1.33 -1.00 0.00 0.00 179.01 179.13 1xky n VAL 97 N -3.54 1.82 -1.20 3.13 0.24 -0.78 -4.98 118.33 113.01 1xky n VAL 97 Ca -0.02 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 1xky n VAL 97 Cb 0.22 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1xky n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 98 N 0.81 0.51 3.74 7.63 0.00 -0.95 -4.67 105.19 112.26 1xky n GLY 98 Ca 0.23 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1xky n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xky s VAL 99 N -2.00 3.03 -0.24 1.61 -7.23 -1.17 -4.97 120.40 109.43 1xky s VAL 99 Ca 0.00 0.34 0.22 0.00 -1.81 0.00 0.00 61.98 60.73 1xky s VAL 99 Cb 0.00 -2.73 -0.22 0.00 0.56 0.00 0.00 36.38 33.99 1xky s VAL 99 CO 0.00 -0.44 0.73 0.47 -0.31 0.00 0.00 175.10 175.55 1xky n ASP 100 N -3.70 0.36 -3.74 4.85 9.92 0.17 -4.84 116.55 119.57 1xky n ASP 100 Ca 0.09 -0.04 -0.05 0.00 -0.53 0.00 0.00 54.79 54.27 1xky n ASP 100 Cb 0.53 1.38 -0.02 0.00 -0.64 0.00 0.00 41.12 42.38 1xky n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xky s ALA 101 N -3.39 -1.60 0.06 2.24 0.00 -1.04 -4.12 121.76 113.90 1xky s ALA 101 Ca -0.03 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.12 1xky s ALA 101 Cb 0.13 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1xky s ALA 101 CO 0.86 -1.01 -0.17 0.14 0.00 0.00 0.00 175.76 175.58 1xky s VAL 102 N -3.39 1.36 -0.22 0.00 -7.23 -0.74 -1.53 120.40 108.66 1xky s VAL 102 Ca 0.11 -1.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.98 1xky s VAL 102 Cb -0.02 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 1xky s VAL 102 CO 0.02 -0.00 0.12 -0.32 -0.31 0.00 0.00 175.10 174.61 1xky s MET 103 N -1.41 4.02 -0.28 4.82 1.75 0.15 -0.89 119.30 127.47 1xky s MET 103 Ca 0.03 -0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.19 1xky s MET 103 Cb -0.09 -3.42 0.07 0.00 2.84 0.00 0.00 34.83 34.23 1xky s MET 103 CO 0.02 0.12 -0.06 -0.51 -0.65 0.00 0.00 175.02 173.95 1xky s LEU 104 N 0.85 3.79 0.41 4.11 1.43 0.13 -2.72 118.68 126.67 1xky s LEU 104 Ca 0.06 -1.51 -0.23 0.00 -1.03 0.00 0.00 54.13 51.42 1xky s LEU 104 Cb -0.13 -1.60 -0.10 0.00 0.03 0.00 0.00 46.19 44.39 1xky s LEU 104 CO 0.03 -0.24 1.00 0.54 0.23 0.00 0.00 176.35 177.90 1xky s VAL 105 N 1.10 4.01 -0.01 -1.59 0.11 -1.26 -1.12 120.40 121.64 1xky s VAL 105 Ca -0.05 1.44 -0.36 0.00 -2.93 0.00 0.00 61.98 60.08 1xky s VAL 105 Cb -0.20 -3.69 -0.14 0.00 -1.53 0.00 0.00 36.38 30.82 1xky s VAL 105 CO -0.05 -0.09 1.64 0.00 -3.33 0.00 0.00 175.10 173.27 1xky n ALA 106 N -0.24 0.38 -1.65 1.54 0.00 -0.49 -4.76 120.51 115.30 1xky n ALA 106 Ca 0.06 0.41 -0.52 0.00 0.00 0.00 0.00 53.44 53.39 1xky n ALA 106 Cb 0.51 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1xky n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xky n PRO 107 N 4.49 1.48 -3.03 0.00 -0.02 -1.26 -4.82 135.00 131.84 1xky n PRO 107 Ca 0.21 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 1xky n PRO 107 Cb 0.24 -2.24 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1xky n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xky s TYR 108 N 1.73 3.45 0.00 6.00 1.13 -1.26 -4.46 117.35 123.93 1xky s TYR 108 Ca 0.88 0.47 0.00 0.00 -1.41 0.00 0.00 57.07 57.01 1xky s TYR 108 Cb -0.89 -2.14 0.00 0.00 -1.10 0.00 0.00 41.96 37.82 1xky s TYR 108 CO 0.50 -0.14 0.00 0.98 -2.51 0.00 0.00 175.55 174.38 1xky n TYR 109 N -2.03 0.00 1.32 -3.49 9.36 -1.26 -4.49 117.16 116.57 1xky n TYR 109 Ca -0.01 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.34 1xky n TYR 109 Cb 0.56 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.68 1xky n TYR 109 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1xky n ASN 110 N 2.27 1.32 -3.62 2.98 0.23 -1.26 -5.00 115.26 112.18 1xky n ASN 110 Ca 0.00 -1.19 -0.27 0.00 -0.53 0.00 0.00 54.58 52.60 1xky n ASN 110 Cb 0.00 0.09 0.03 0.00 -2.08 0.00 0.00 39.78 37.83 1xky n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xky n LYS 111 N -0.24 -1.26 -1.28 -3.83 5.02 -1.26 -4.94 118.16 110.37 1xky n LYS 111 Ca 0.15 0.63 -0.30 0.00 -2.02 0.00 0.00 58.31 56.77 1xky n LYS 111 Cb 0.36 -4.05 0.11 0.00 -0.02 0.00 0.00 35.03 31.43 1xky n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xky s PRO 112 N -5.45 1.90 0.86 1.97 0.04 -1.26 -5.05 135.00 128.01 1xky s PRO 112 Ca 0.35 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 1xky s PRO 112 Cb -0.12 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.68 1xky s PRO 112 CO 0.85 -1.84 1.21 -1.54 0.04 0.00 0.00 177.00 175.72 1xky s SER 113 N -3.46 3.88 0.16 6.66 1.04 -1.26 -4.86 113.70 115.87 1xky s SER 113 Ca 0.62 0.40 -0.15 0.00 0.48 0.00 0.00 55.95 57.30 1xky s SER 113 Cb -0.17 -0.69 0.06 0.00 0.10 0.00 0.00 66.02 65.32 1xky s SER 113 CO 0.56 -2.25 1.81 1.56 0.98 0.00 0.00 173.24 175.90 1xky h GLN 114 N -1.23 0.54 -0.20 4.02 1.08 -1.97 -0.50 115.11 116.85 1xky h GLN 114 Ca -0.44 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 56.57 1xky h GLN 114 Cb 1.28 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1xky h GLN 114 CO 0.50 0.35 -0.52 1.49 -0.95 0.00 0.00 178.83 179.70 1xky h GLU 115 N 0.55 0.57 -0.43 1.46 4.57 -1.99 -0.41 114.58 118.91 1xky h GLU 115 Ca 0.18 -0.35 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 1xky h GLU 115 Cb -0.00 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1xky h GLU 115 CO -0.07 0.95 0.21 0.78 -1.18 0.00 0.00 179.01 179.70 1xky h GLY 116 N 1.04 0.59 1.20 1.92 0.00 -1.87 -0.64 103.07 105.31 1xky h GLY 116 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1xky h GLY 116 CO 0.10 0.10 0.02 -0.33 0.00 0.00 0.00 176.54 176.43 1xky h MET 117 N 0.43 0.96 -0.16 4.80 2.86 -0.87 0.94 114.93 123.89 1xky h MET 117 Ca 0.18 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1xky h MET 117 Cb 0.09 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1xky h MET 117 CO -0.13 0.94 0.07 -0.92 1.06 0.00 0.00 176.91 177.93 1xky h TYR 118 N 0.89 0.14 -0.28 -0.22 3.20 -0.72 0.10 116.97 120.07 1xky h TYR 118 Ca 0.17 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1xky h TYR 118 Cb 0.50 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1xky h TYR 118 CO 0.03 0.08 -0.28 1.96 -1.64 0.00 0.00 178.16 178.31 1xky h GLN 119 N 0.17 0.57 0.82 1.82 1.08 -0.90 0.76 115.11 119.42 1xky h GLN 119 Ca 0.07 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 1xky h GLN 119 Cb 0.02 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1xky h GLN 119 CO -0.05 0.79 -0.49 1.25 -0.95 0.00 0.00 178.83 179.39 1xky h HIS 120 N 0.50 -1.29 -0.76 2.96 2.76 -0.44 -0.61 115.15 118.26 1xky h HIS 120 Ca 0.07 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1xky h HIS 120 Cb 0.74 0.46 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 1xky h HIS 120 CO 0.03 -0.73 0.30 0.74 -1.30 0.00 0.00 177.93 176.97 1xky h PHE 121 N -1.21 1.14 -0.60 5.26 0.04 -0.74 -2.54 116.94 118.29 1xky h PHE 121 Ca -0.11 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1xky h PHE 121 Cb 0.97 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 1xky h PHE 121 CO -0.09 0.87 0.34 -0.22 -0.60 0.00 0.00 178.31 178.60 1xky h LYS 122 N 1.10 0.82 -0.65 1.51 3.64 -0.80 -1.16 116.57 121.04 1xky h LYS 122 Ca 0.25 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1xky h LYS 122 Cb 0.21 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1xky h LYS 122 CO -0.02 0.61 0.08 0.00 -2.27 0.00 0.00 179.45 177.86 1xky h ALA 123 N 1.16 0.91 -0.10 5.00 0.00 -0.87 -1.48 119.26 123.89 1xky h ALA 123 Ca 0.21 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1xky h ALA 123 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xky h ALA 123 CO -0.04 0.66 -0.26 0.82 0.00 0.00 0.00 179.25 180.44 1xky h ILE 124 N 1.01 1.39 -0.61 0.00 2.04 -1.32 -3.07 117.51 116.96 1xky h ILE 124 Ca 0.20 -1.58 0.05 0.00 1.00 0.00 0.00 64.86 64.53 1xky h ILE 124 Cb 0.47 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.64 1xky h ILE 124 CO 0.02 0.46 0.34 0.00 0.00 0.00 0.00 178.15 178.97 1xky h ALA 125 N 0.50 0.81 0.00 1.87 0.00 -1.17 -2.22 119.26 119.05 1xky h ALA 125 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xky h ALA 125 Cb 0.87 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xky h ALA 125 CO 0.06 0.03 -0.00 0.93 0.00 0.00 0.00 179.25 180.27 1xky h GLU 126 N 0.65 0.00 -0.00 0.00 5.08 -1.30 -2.88 114.58 116.13 1xky h GLU 126 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1xky h GLU 126 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xky h GLU 126 CO -0.15 0.00 -0.01 -1.13 -1.00 0.00 0.00 179.01 176.72 1xky n SER 127 N -4.30 0.03 -4.03 1.42 3.41 -0.84 -4.84 113.62 104.47 1xky n SER 127 Ca -0.03 0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.47 1xky n SER 127 Cb 0.09 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 63.59 1xky n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xky s THR 128 N -2.70 0.46 -1.09 6.66 -1.32 -1.09 -4.87 115.64 111.69 1xky s THR 128 Ca 0.24 -0.87 0.28 0.00 -1.21 0.00 0.00 61.69 60.14 1xky s THR 128 Cb 0.20 -0.51 0.29 0.00 -1.51 0.00 0.00 72.50 70.97 1xky s THR 128 CO 0.49 -0.29 1.93 -0.81 -2.21 0.00 0.00 174.62 173.73 1xky n PRO 129 N 1.81 0.09 -2.59 7.08 -0.04 -1.26 -4.92 135.00 135.16 1xky n PRO 129 Ca -0.21 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 62.92 1xky n PRO 129 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1xky n PRO 129 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xky s LEU 130 N -2.91 3.96 0.58 1.53 1.43 -1.26 -5.01 118.68 117.00 1xky s LEU 130 Ca 0.17 1.92 -0.20 0.00 -1.03 0.00 0.00 54.13 54.99 1xky s LEU 130 Cb 0.19 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 1xky s LEU 130 CO 0.50 -0.61 1.32 -2.16 0.23 0.00 0.00 176.35 175.62 1xky s PRO 131 N -2.97 2.93 -0.06 1.29 0.04 -1.26 -4.87 135.00 130.09 1xky s PRO 131 Ca 0.63 2.13 0.06 0.00 0.04 0.00 0.00 61.00 63.85 1xky s PRO 131 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1xky s PRO 131 CO 0.21 -1.32 -0.25 0.08 0.04 0.00 0.00 177.00 175.77 1xky s VAL 132 N -1.37 2.03 -0.18 -0.36 1.01 0.13 -1.79 120.40 119.87 1xky s VAL 132 Ca 0.76 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1xky s VAL 132 Cb -0.38 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1xky s VAL 132 CO 0.43 0.56 -0.11 -0.32 0.00 0.00 0.00 175.10 175.67 1xky s MET 133 N -0.06 3.29 0.65 2.72 1.75 -0.06 -1.30 119.30 126.28 1xky s MET 133 Ca -0.06 -0.69 -0.13 0.00 -1.25 0.00 0.00 55.69 53.56 1xky s MET 133 Cb -0.14 -2.79 -0.02 0.00 2.84 0.00 0.00 34.83 34.72 1xky s MET 133 CO 0.05 -0.07 1.05 -0.51 -0.65 0.00 0.00 175.02 174.89 1xky s LEU 134 N 1.08 3.28 -0.25 4.11 1.43 0.11 -0.69 118.68 127.75 1xky s LEU 134 Ca 0.00 1.65 -0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1xky s LEU 134 Cb -0.15 -4.50 0.09 0.00 0.03 0.00 0.00 46.19 41.66 1xky s LEU 134 CO -0.02 -1.25 0.11 -0.47 0.23 0.00 0.00 176.35 174.95 1xky s TYR 135 N -2.86 0.56 -0.27 0.29 5.04 -0.27 0.19 117.35 120.02 1xky s TYR 135 Ca 0.59 -0.86 -0.20 0.00 -2.44 0.00 0.00 57.07 54.16 1xky s TYR 135 Cb -0.14 -0.98 -0.02 0.00 0.35 0.00 0.00 41.96 41.18 1xky s TYR 135 CO 0.48 -0.74 0.63 1.21 -1.34 0.00 0.00 175.55 175.79 1xky s ASN 136 N 2.02 6.55 -0.46 4.32 2.47 -0.31 -1.39 114.94 128.13 1xky s ASN 136 Ca 0.06 0.60 0.06 0.00 0.42 0.00 0.00 52.86 54.01 1xky s ASN 136 Cb -0.16 -2.33 0.22 0.00 -1.45 0.00 0.00 41.25 37.52 1xky s ASN 136 CO -0.25 -0.41 0.66 0.55 -3.72 0.00 0.00 177.10 173.93 1xky n VAL 137 N 5.27 -0.39 0.26 -5.21 3.14 -1.26 -0.50 118.33 119.64 1xky n VAL 137 Ca -0.01 -2.35 0.12 0.00 -2.96 0.00 0.00 64.34 59.15 1xky n VAL 137 Cb 0.49 -0.04 0.73 0.00 -1.06 0.00 0.00 33.84 33.96 1xky n VAL 137 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1xky h PRO 138 N 4.53 0.00 -0.01 1.45 0.13 -1.82 0.19 132.00 136.47 1xky h PRO 138 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1xky h PRO 138 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1xky h PRO 138 CO 0.29 0.11 0.05 0.78 -0.23 0.00 0.00 178.00 179.00 1xky h GLY 139 N 0.74 0.00 0.00 1.56 0.00 -1.88 -0.11 103.07 103.37 1xky h GLY 139 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xky h GLY 139 CO 0.01 0.00 -1.12 0.54 0.00 0.00 0.00 176.54 175.98 1xky n ARG 140 N -3.23 3.43 0.00 4.80 1.74 -0.50 -4.81 116.66 118.09 1xky n ARG 140 Ca -0.03 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 1xky n ARG 140 Cb 0.12 -1.04 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 1xky n ARG 140 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xky n SER 141 N -2.10 1.63 0.00 0.55 7.64 0.56 -4.72 113.62 117.17 1xky n SER 141 Ca -0.03 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1xky n SER 141 Cb 0.55 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1xky n SER 141 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xky n ILE 142 N -0.19 0.00 -1.62 0.44 5.41 -0.06 -4.39 119.36 118.95 1xky n ILE 142 Ca 0.07 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.49 1xky n ILE 142 Cb 0.35 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.34 1xky n ILE 142 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1xky s VAL 143 N 0.00 3.23 0.02 1.39 -7.23 -1.26 -4.72 120.40 111.83 1xky s VAL 143 Ca 0.00 0.53 0.02 0.00 -1.81 0.00 0.00 61.98 60.72 1xky s VAL 143 Cb 0.00 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1xky s VAL 143 CO 0.00 -0.40 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.28 1xky s GLN 144 N -4.29 2.70 -0.44 4.82 -1.52 -1.26 -3.70 119.66 115.98 1xky s GLN 144 Ca 0.66 -0.67 -0.25 0.00 -1.95 0.00 0.00 55.36 53.14 1xky s GLN 144 Cb -0.20 -2.62 0.02 0.00 -0.22 0.00 0.00 33.01 29.99 1xky s GLN 144 CO 0.45 0.60 0.89 0.42 -0.25 0.00 0.00 175.29 177.40 1xky s ILE 145 N -1.12 4.54 0.79 1.08 1.01 -1.26 -4.93 121.20 121.31 1xky s ILE 145 Ca 0.21 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.50 1xky s ILE 145 Cb -0.11 -4.38 0.07 0.00 0.01 0.00 0.00 42.46 38.05 1xky s ILE 145 CO 0.12 -0.73 1.18 -0.94 0.00 0.00 0.00 174.94 174.57 1xky s SER 146 N 2.14 3.82 0.17 3.58 1.04 -1.26 -4.73 113.70 118.46 1xky s SER 146 Ca 0.35 2.28 -0.15 0.00 0.48 0.00 0.00 55.95 58.91 1xky s SER 146 Cb -0.11 -2.58 0.13 0.00 0.10 0.00 0.00 66.02 63.56 1xky s SER 146 CO 0.24 -2.51 1.68 0.58 0.98 0.00 0.00 173.24 174.21 1xky h VAL 147 N -0.83 0.64 -0.71 5.02 2.07 -1.95 -0.07 116.25 120.42 1xky h VAL 147 Ca -0.46 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1xky h VAL 147 Cb 1.28 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1xky h VAL 147 CO 0.47 0.01 0.36 0.44 0.02 0.00 0.00 177.57 178.87 1xky h ASP 148 N 0.08 0.90 -0.50 0.57 3.32 -1.99 0.16 116.42 118.96 1xky h ASP 148 Ca 0.21 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1xky h ASP 148 Cb 0.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1xky h ASP 148 CO -0.38 0.75 -0.07 0.74 -1.72 0.00 0.00 179.24 178.56 1xky h THR 149 N 1.00 1.27 -0.77 0.35 2.02 -1.63 -1.23 112.91 113.92 1xky h THR 149 Ca 0.25 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1xky h THR 149 Cb 0.08 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1xky h THR 149 CO -0.04 0.42 0.43 0.58 0.37 0.00 0.00 175.52 177.29 1xky h VAL 150 N 0.79 1.23 -0.13 3.16 2.07 -0.35 -1.52 116.25 121.50 1xky h VAL 150 Ca 0.13 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1xky h VAL 150 Cb 0.61 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1xky h VAL 150 CO 0.04 0.25 0.05 0.58 0.02 0.00 0.00 177.57 178.51 1xky h VAL 151 N 1.07 1.16 -0.81 2.57 2.07 -0.74 0.33 116.25 121.90 1xky h VAL 151 Ca 0.27 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1xky h VAL 151 Cb 0.02 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1xky h VAL 151 CO -0.05 0.15 0.47 0.03 0.02 0.00 0.00 177.57 178.19 1xky h ARG 152 N 0.05 0.80 -0.34 1.57 3.08 -1.10 -2.44 114.38 116.00 1xky h ARG 152 Ca 0.04 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1xky h ARG 152 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xky h ARG 152 CO -0.00 0.53 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.05 1xky h LEU 153 N 0.83 0.77 -2.85 3.04 3.38 -0.99 -2.75 115.31 116.73 1xky h LEU 153 Ca 0.37 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xky h LEU 153 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xky h LEU 153 CO -0.21 1.02 0.04 0.77 0.09 0.00 0.00 178.44 180.15 1xky h SER 154 N 0.63 0.00 1.55 -0.43 4.64 -0.44 -1.06 113.55 118.43 1xky h SER 154 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1xky h SER 154 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xky h SER 154 CO 0.07 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.70 1xky h GLU 155 N 0.00 0.00 -6.50 4.77 5.08 -1.34 -3.44 114.58 113.15 1xky h GLU 155 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1xky h GLU 155 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xky h GLU 155 CO -0.00 0.00 0.57 0.42 -1.00 0.00 0.00 179.01 179.00 1xky s ILE 156 N -3.17 3.94 0.17 3.13 1.01 -0.40 -4.94 121.20 120.93 1xky s ILE 156 Ca 0.09 1.41 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 1xky s ILE 156 Cb 0.10 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.76 1xky s ILE 156 CO 0.60 0.12 1.69 -0.08 0.00 0.00 0.00 174.94 177.26 1xky h GLU 157 N 6.67 0.07 -0.22 2.79 4.81 -1.86 -2.35 114.58 124.50 1xky h GLU 157 Ca -0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xky h GLU 157 Cb 1.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1xky h GLU 157 CO 0.81 0.05 0.00 0.27 -0.73 0.00 0.00 179.01 179.41 1xky n ASN 158 N -5.24 1.90 -4.44 1.04 6.94 -1.26 -4.68 115.26 109.52 1xky n ASN 158 Ca 0.03 -1.78 -0.44 0.00 -0.02 0.00 0.00 54.58 52.38 1xky n ASN 158 Cb 0.23 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.46 1xky n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xky s ILE 159 N -1.72 4.62 -0.36 1.53 1.01 -0.89 0.17 121.20 125.56 1xky s ILE 159 Ca 0.32 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.58 1xky s ILE 159 Cb 0.17 -4.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.02 1xky s ILE 159 CO 0.25 -1.14 0.37 1.33 0.00 0.00 0.00 174.94 175.75 1xky n VAL 160 N 5.78 0.00 -3.75 2.92 0.24 -0.42 -4.60 118.33 118.50 1xky n VAL 160 Ca -0.05 -0.26 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 1xky n VAL 160 Cb 0.45 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 33.65 1xky n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xky s ALA 161 N -2.06 -1.46 -0.01 2.33 0.00 -1.20 -1.48 121.76 117.87 1xky s ALA 161 Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1xky s ALA 161 Cb 0.07 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1xky s ALA 161 CO 0.40 -0.99 0.02 -1.50 0.00 0.00 0.00 175.76 173.69 1xky s ILE 162 N -3.62 -0.02 -0.38 0.00 2.07 -0.39 -0.71 121.20 118.16 1xky s ILE 162 Ca 0.10 0.07 -0.21 0.00 -1.41 0.00 0.00 60.65 59.21 1xky s ILE 162 Cb -0.03 -0.05 0.01 0.00 0.13 0.00 0.00 42.46 42.51 1xky s ILE 162 CO 0.02 0.03 0.66 -0.75 -1.91 0.00 0.00 174.94 172.99 1xky s LYS 163 N 0.38 3.59 -0.53 3.50 2.20 0.13 -0.34 119.74 128.67 1xky s LYS 163 Ca -0.03 -0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 55.44 1xky s LYS 163 Cb -0.04 -3.85 0.13 0.00 -1.51 0.00 0.00 37.83 32.56 1xky s LYS 163 CO -0.01 -0.82 0.43 0.34 -0.36 0.00 0.00 175.35 174.93 1xky s ASP 164 N 1.86 5.94 -0.27 1.43 -1.08 0.43 -1.16 116.67 123.81 1xky s ASP 164 Ca 0.25 -1.96 0.11 0.00 -0.52 0.00 0.00 52.55 50.43 1xky s ASP 164 Cb -0.14 -2.09 0.74 0.00 -1.46 0.00 0.00 42.92 39.97 1xky s ASP 164 CO 0.16 -0.73 1.72 0.00 0.52 0.00 0.00 175.17 176.84 1xky n ALA 165 N 4.91 4.20 0.78 3.66 0.00 0.34 -1.20 120.51 133.21 1xky n ALA 165 Ca -0.08 -2.02 0.09 0.00 0.00 0.00 0.00 53.44 51.43 1xky n ALA 165 Cb 0.41 -1.19 0.43 0.00 0.00 0.00 0.00 19.45 19.10 1xky n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xky n GLY 166 N 0.20 -0.96 2.31 0.00 0.00 -1.24 -4.64 105.19 100.86 1xky n GLY 166 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1xky n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xky n GLY 167 N 0.28 0.45 2.87 -0.02 0.00 -1.26 -4.97 105.19 102.54 1xky n GLY 167 Ca 0.07 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1xky n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xky s ASP 168 N -2.19 3.68 0.07 1.61 -1.08 -1.26 -4.99 116.67 112.50 1xky s ASP 168 Ca 0.00 -1.18 0.27 0.00 -0.52 0.00 0.00 52.55 51.12 1xky s ASP 168 Cb 0.00 -1.02 1.06 0.00 -1.46 0.00 0.00 42.92 41.50 1xky s ASP 168 CO 0.00 -0.28 1.84 1.33 0.52 0.00 0.00 175.17 178.58 1xky n VAL 169 N 4.77 0.28 0.11 1.11 0.24 -1.26 -2.73 118.33 120.86 1xky n VAL 169 Ca -0.09 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.34 61.97 1xky n VAL 169 Cb 0.44 -0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 32.08 1xky n VAL 169 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xky h LEU 170 N 0.00 0.54 -0.52 1.34 3.38 -1.98 0.10 115.31 118.17 1xky h LEU 170 Ca 0.00 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.25 1xky h LEU 170 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xky h LEU 170 CO 0.00 1.46 -0.20 0.71 0.09 0.00 0.00 178.44 180.50 1xky h THR 171 N 0.09 1.27 -0.31 0.22 1.35 -2.00 -2.78 112.91 110.75 1xky h THR 171 Ca -0.18 -1.36 0.05 0.00 -0.55 0.00 0.00 66.41 64.37 1xky h THR 171 Cb 2.03 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 69.51 1xky h THR 171 CO 0.22 0.47 0.03 0.24 -0.25 0.00 0.00 175.52 176.24 1xky h MET 172 N 0.86 0.13 -0.58 4.72 2.86 -1.49 -1.82 114.93 119.61 1xky h MET 172 Ca 0.11 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.87 1xky h MET 172 Cb 0.78 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.30 1xky h MET 172 CO 0.06 0.09 -0.05 1.15 1.06 0.00 0.00 176.91 179.22 1xky h THR 173 N 0.13 0.48 -0.51 2.22 2.02 -0.71 -0.09 112.91 116.45 1xky h THR 173 Ca 0.15 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 1xky h THR 173 Cb 0.18 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1xky h THR 173 CO -0.22 0.01 -0.15 -0.08 0.37 0.00 0.00 175.52 175.45 1xky h GLU 174 N 0.07 1.00 -0.10 6.66 4.81 -1.17 -0.68 114.58 125.16 1xky h GLU 174 Ca 0.30 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1xky h GLU 174 Cb 0.47 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1xky h GLU 174 CO -0.54 1.07 0.07 0.82 -0.73 0.00 0.00 179.01 179.70 1xky h ILE 175 N 0.88 1.04 -0.29 2.32 2.04 -0.77 -0.10 117.51 122.62 1xky h ILE 175 Ca 0.13 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1xky h ILE 175 Cb 0.72 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1xky h ILE 175 CO 0.06 0.03 -0.01 0.40 0.00 0.00 0.00 178.15 178.63 1xky h ILE 176 N 0.13 0.78 -0.00 -0.67 2.04 -0.82 -2.02 117.51 116.95 1xky h ILE 176 Ca 0.04 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1xky h ILE 176 Cb -0.00 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1xky h ILE 176 CO -0.01 0.01 -0.06 -0.08 0.00 0.00 0.00 178.15 178.02 1xky h GLU 177 N 0.07 -0.10 -0.01 2.37 4.81 -0.83 -3.27 114.58 117.62 1xky h GLU 177 Ca 0.14 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1xky h GLU 177 Cb 0.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xky h GLU 177 CO -0.24 -0.06 -0.18 1.63 -0.73 0.00 0.00 179.01 179.42 1xky n LYS 178 N -5.17 1.23 -4.09 1.92 5.02 -0.08 -4.85 118.16 112.14 1xky n LYS 178 Ca -0.06 -0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 55.22 1xky n LYS 178 Cb 0.10 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1xky n LYS 178 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xky s THR 179 N -2.31 4.55 0.88 -0.18 -4.23 -0.77 -4.98 115.64 108.60 1xky s THR 179 Ca 0.28 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1xky s THR 179 Cb 0.20 -3.41 0.12 0.00 1.34 0.00 0.00 72.50 70.74 1xky s THR 179 CO 0.45 -0.26 1.11 0.00 -0.54 0.00 0.00 174.62 175.37 1xky s ALA 180 N -1.99 1.63 0.52 3.99 0.00 -1.26 -4.89 121.76 119.76 1xky s ALA 180 Ca 0.32 0.29 0.20 0.00 0.00 0.00 0.00 51.96 52.77 1xky s ALA 180 Cb -0.09 -3.32 1.30 0.00 0.00 0.00 0.00 23.12 21.01 1xky s ALA 180 CO 0.25 -2.40 2.06 -0.44 0.00 0.00 0.00 175.76 175.24 1xky h ASP 181 N -1.59 0.04 -0.20 0.00 3.32 -1.97 -0.93 116.42 115.09 1xky h ASP 181 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xky h ASP 181 Cb 1.26 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xky h ASP 181 CO 0.48 0.03 0.00 -0.90 -1.72 0.00 0.00 179.24 177.13 1xky n ASP 182 N -4.46 1.36 -4.42 6.45 5.68 -1.26 -4.70 116.55 115.20 1xky n ASP 182 Ca 0.04 -2.05 -0.36 0.00 -0.50 0.00 0.00 54.79 51.92 1xky n ASP 182 Cb 0.35 -0.22 -0.13 0.00 -1.14 0.00 0.00 41.12 39.97 1xky n ASP 182 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1xky s PHE 183 N -1.68 3.05 -0.14 2.11 5.36 -0.36 -4.84 117.98 121.49 1xky s PHE 183 Ca 0.14 -0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 55.51 1xky s PHE 183 Cb 0.08 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 1xky s PHE 183 CO 0.08 -0.37 0.10 0.00 -1.46 0.00 0.00 175.22 173.57 1xky s ALA 184 N 1.46 3.67 -0.23 11.12 0.00 -0.55 -4.83 121.76 132.40 1xky s ALA 184 Ca 0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1xky s ALA 184 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1xky s ALA 184 CO 0.02 0.46 0.02 0.08 0.00 0.00 0.00 175.76 176.35 1xky s VAL 185 N -0.54 3.96 -0.04 0.00 1.01 -1.26 -1.26 120.40 122.28 1xky s VAL 185 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1xky s VAL 185 Cb -0.12 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1xky s VAL 185 CO 0.02 0.38 0.05 -0.31 0.00 0.00 0.00 175.10 175.24 1xky s TYR 186 N 1.49 3.25 0.41 5.22 2.02 0.54 -0.87 117.35 129.41 1xky s TYR 186 Ca 0.06 0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 56.72 1xky s TYR 186 Cb -0.15 -1.77 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 1xky s TYR 186 CO 0.01 0.54 1.33 0.45 -1.57 0.00 0.00 175.55 176.31 1xky s SER 187 N -1.35 6.28 -0.01 2.29 0.15 -0.27 -0.43 113.70 120.36 1xky s SER 187 Ca 0.18 2.72 0.14 0.00 0.70 0.00 0.00 55.95 59.69 1xky s SER 187 Cb -0.12 -2.64 0.41 0.00 -1.71 0.00 0.00 66.02 61.96 1xky s SER 187 CO 0.08 -0.88 1.35 0.61 1.20 0.00 0.00 173.24 175.60 1xky n GLY 188 N 0.65 2.74 2.86 9.45 0.00 -0.34 -0.67 105.19 119.89 1xky n GLY 188 Ca 0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1xky n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xky s ASP 189 N -1.03 3.13 0.25 1.61 1.01 -1.26 -4.71 116.67 115.66 1xky s ASP 189 Ca 0.31 -0.84 -0.05 0.00 0.71 0.00 0.00 52.55 52.68 1xky s ASP 189 Cb 0.17 -0.91 0.47 0.00 1.01 0.00 0.00 42.92 43.66 1xky s ASP 189 CO 0.20 -0.23 1.67 0.44 0.21 0.00 0.00 175.17 177.46 1xky h ASP 190 N 8.10 -0.09 -0.16 0.27 3.32 -1.91 -0.62 116.42 125.33 1xky h ASP 190 Ca -0.20 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1xky h ASP 190 Cb 1.10 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1xky h ASP 190 CO 0.39 -0.09 0.11 1.23 -1.72 0.00 0.00 179.24 179.16 1xky h GLY 191 N 0.21 0.09 -0.76 2.75 0.00 -1.94 -1.96 103.07 101.45 1xky h GLY 191 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1xky h GLY 191 CO -0.56 0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.05 1xky n LEU 192 N -4.50 1.50 -0.00 3.11 4.77 -0.25 -4.48 117.00 117.15 1xky n LEU 192 Ca 0.00 -0.66 -0.11 0.00 -0.03 0.00 0.00 56.01 55.21 1xky n LEU 192 Cb 0.19 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1xky n LEU 192 CO 0.35 0.33 0.63 0.74 -1.33 0.00 0.00 177.39 178.11 1xky h THR 193 N 1.89 0.24 0.68 -5.08 2.02 -1.32 0.17 112.91 111.51 1xky h THR 193 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xky h THR 193 Cb 0.42 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1xky h THR 193 CO 0.00 0.00 -0.33 0.25 0.37 0.00 0.00 175.52 175.81 1xky h LEU 194 N -0.42 -0.77 -1.42 2.58 5.85 -1.83 -1.13 115.31 118.17 1xky h LEU 194 Ca 0.09 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1xky h LEU 194 Cb 0.57 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1xky h LEU 194 CO -0.37 -0.52 -0.15 1.55 -0.34 0.00 0.00 178.44 178.60 1xky h PRO 195 N -0.96 0.19 -0.36 5.25 0.13 -1.83 -1.28 132.00 133.13 1xky h PRO 195 Ca -0.09 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1xky h PRO 195 Cb 0.72 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1xky h PRO 195 CO 0.15 0.35 0.10 0.00 -0.23 0.00 0.00 178.00 178.38 1xky h ALA 196 N 1.67 0.47 -0.17 -0.56 0.00 -0.57 -2.87 119.26 117.24 1xky h ALA 196 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1xky h ALA 196 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xky h ALA 196 CO 0.02 0.12 -0.20 0.52 0.00 0.00 0.00 179.25 179.72 1xky h MET 197 N 0.43 0.29 -0.47 0.00 2.86 -0.92 -1.18 114.93 115.94 1xky h MET 197 Ca 0.11 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1xky h MET 197 Cb 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1xky h MET 197 CO -0.00 0.48 0.31 0.00 1.06 0.00 0.00 176.91 178.76 1xky h ALA 198 N 1.53 1.74 -0.05 6.32 0.00 -1.03 -1.61 119.26 126.18 1xky h ALA 198 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xky h ALA 198 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xky h ALA 198 CO 0.03 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1xky n VAL 199 N -4.47 0.04 0.00 0.00 0.24 -0.92 -4.93 118.33 108.28 1xky n VAL 199 Ca 0.05 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1xky n VAL 199 Cb 0.11 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 1xky n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 200 N 1.21 1.31 3.77 7.63 0.00 -0.60 -4.82 105.19 113.68 1xky n GLY 200 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1xky n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xky s ALA 201 N -2.00 3.35 0.15 4.61 0.00 -0.49 -4.80 121.76 122.58 1xky s ALA 201 Ca 0.00 1.35 0.13 0.00 0.00 0.00 0.00 51.96 53.45 1xky s ALA 201 Cb 0.00 -3.53 0.33 0.00 0.00 0.00 0.00 23.12 19.92 1xky s ALA 201 CO 0.00 -0.92 1.58 -0.22 0.00 0.00 0.00 175.76 176.20 1xky h LYS 202 N 2.78 0.00 0.00 0.00 3.64 -1.34 -3.39 116.57 118.25 1xky h LYS 202 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1xky h LYS 202 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1xky h LYS 202 CO 0.63 0.58 0.00 0.41 -2.27 0.00 0.00 179.45 178.80 1xky n GLY 203 N 0.57 -0.70 3.01 5.01 0.00 -1.26 -4.52 105.19 107.29 1xky n GLY 203 Ca -0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 1xky n GLY 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xky s ILE 204 N -3.90 0.73 -0.40 -0.61 1.10 -0.26 -1.12 121.20 116.73 1xky s ILE 204 Ca 0.00 -0.36 -0.18 0.00 -0.51 0.00 0.00 60.65 59.60 1xky s ILE 204 Cb 0.00 -0.63 0.01 0.00 0.15 0.00 0.00 42.46 41.99 1xky s ILE 204 CO 0.00 0.22 0.49 -0.69 -2.11 0.00 0.00 174.94 172.84 1xky s VAL 205 N -0.02 5.03 0.02 4.00 1.01 0.15 -1.62 120.40 128.97 1xky s VAL 205 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1xky s VAL 205 Cb -0.06 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1xky s VAL 205 CO -0.00 -0.37 -0.08 -0.55 0.00 0.00 0.00 175.10 174.09 1xky s SER 206 N 1.83 4.52 -0.25 3.32 0.15 0.15 -4.51 113.70 118.90 1xky s SER 206 Ca 0.16 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.53 1xky s SER 206 Cb -0.16 -1.01 -0.16 0.00 -1.71 0.00 0.00 66.02 62.99 1xky s SER 206 CO 0.14 0.27 -0.20 0.52 1.20 0.00 0.00 173.24 175.17 1xky n VAL 207 N 1.47 1.54 0.30 4.45 0.31 -1.26 -0.60 118.33 124.53 1xky n VAL 207 Ca -0.15 -0.45 0.18 0.00 -0.01 0.00 0.00 64.34 63.91 1xky n VAL 207 Cb 0.52 -1.71 1.00 0.00 -0.91 0.00 0.00 33.84 32.75 1xky n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xky h ALA 208 N -0.48 1.39 0.00 3.52 0.00 -1.96 -2.59 119.26 119.14 1xky h ALA 208 Ca -0.60 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xky h ALA 208 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xky h ALA 208 CO -0.24 -0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.59 1xky h SER 209 N 0.00 0.00 -0.59 0.00 4.64 -1.86 -0.19 113.55 115.55 1xky h SER 209 Ca 0.02 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1xky h SER 209 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 1xky h SER 209 CO -0.00 0.00 0.40 0.45 -0.87 0.00 0.00 176.83 176.81 1xky h HIS 210 N 0.00 0.52 0.00 4.77 3.86 -1.78 -3.09 115.15 119.43 1xky h HIS 210 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1xky h HIS 210 Cb 0.15 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1xky h HIS 210 CO 0.00 0.27 -0.88 1.33 0.86 0.00 0.00 177.93 179.50 1xky n VAL 211 N -4.48 0.00 -2.66 2.45 0.24 -0.24 -4.82 118.33 108.82 1xky n VAL 211 Ca 0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.33 1xky n VAL 211 Cb 0.29 0.42 0.04 0.00 -1.47 0.00 0.00 33.84 33.12 1xky n VAL 211 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xky n ILE 212 N -1.33 1.51 -0.28 1.34 -5.35 -0.27 -4.90 119.36 110.08 1xky n ILE 212 Ca 0.00 -3.22 -0.04 0.00 -0.27 0.00 0.00 62.75 59.22 1xky n ILE 212 Cb 0.01 0.74 0.11 0.00 -1.74 0.00 0.00 39.64 38.75 1xky n ILE 212 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1xky h GLY 213 N 2.56 1.24 0.96 3.28 0.00 -1.70 -1.53 103.07 107.88 1xky h GLY 213 Ca -0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1xky h GLY 213 CO 0.33 0.59 0.16 3.43 0.00 0.00 0.00 176.54 181.05 1xky h ASN 214 N 1.14 0.36 -0.68 0.19 2.35 -1.86 -1.68 115.58 115.40 1xky h ASN 214 Ca 0.27 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1xky h ASN 214 Cb 0.13 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1xky h ASN 214 CO -0.03 0.33 0.43 -0.33 -1.65 0.00 0.00 177.43 176.18 1xky h GLU 215 N 0.36 0.92 -0.26 0.81 3.07 -1.87 -1.25 114.58 116.36 1xky h GLU 215 Ca 0.10 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 1xky h GLU 215 Cb 0.05 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1xky h GLU 215 CO -0.02 0.63 -0.03 0.52 -1.40 0.00 0.00 179.01 178.72 1xky h MET 216 N 0.94 0.47 -0.56 2.33 2.86 -1.08 -0.70 114.93 119.20 1xky h MET 216 Ca 0.25 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1xky h MET 216 Cb -0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1xky h MET 216 CO -0.05 0.66 0.26 1.96 1.06 0.00 0.00 176.91 180.80 1xky h GLN 217 N 0.24 0.79 -0.59 1.72 1.08 -1.04 -1.24 115.11 116.07 1xky h GLN 217 Ca 0.07 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1xky h GLN 217 Cb 0.47 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1xky h GLN 217 CO 0.02 0.62 0.17 1.49 -0.95 0.00 0.00 178.83 180.18 1xky h GLU 218 N 0.79 0.93 -0.28 1.46 4.81 -0.98 -1.37 114.58 119.93 1xky h GLU 218 Ca 0.20 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1xky h GLU 218 Cb 0.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1xky h GLU 218 CO -0.02 0.84 0.12 1.98 -0.73 0.00 0.00 179.01 181.19 1xky h MET 219 N 0.84 0.42 -0.63 1.92 4.05 -0.63 -1.34 114.93 119.55 1xky h MET 219 Ca 0.19 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1xky h MET 219 Cb 0.31 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1xky h MET 219 CO -0.00 0.43 0.30 0.82 0.23 0.00 0.00 176.91 178.68 1xky h ILE 220 N 0.31 1.22 -0.21 1.77 2.04 -1.14 -0.36 117.51 121.13 1xky h ILE 220 Ca 0.10 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1xky h ILE 220 Cb 0.16 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1xky h ILE 220 CO -0.01 0.26 0.08 0.00 0.00 0.00 0.00 178.15 178.48 1xky h ALA 221 N 1.13 0.27 -0.39 1.87 0.00 -1.19 -0.99 119.26 119.97 1xky h ALA 221 Ca 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xky h ALA 221 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xky h ALA 221 CO -0.03 -0.14 0.24 0.00 0.00 0.00 0.00 179.25 179.33 1xky h ALA 222 N 0.93 0.49 0.05 0.00 0.00 -0.99 0.88 119.26 120.61 1xky h ALA 222 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xky h ALA 222 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xky h ALA 222 CO -0.01 -0.08 -0.04 0.35 0.00 0.00 0.00 179.25 179.47 1xky h PHE 223 N 0.49 -0.11 -0.19 0.00 3.57 -0.98 0.87 116.94 120.59 1xky h PHE 223 Ca 0.15 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1xky h PHE 223 Cb -0.03 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1xky h PHE 223 CO -0.06 -0.07 0.13 1.96 -2.23 0.00 0.00 178.31 178.04 1xky h GLN 224 N -0.10 0.05 0.00 1.11 4.20 -0.83 -0.52 115.11 119.02 1xky h GLN 224 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xky h GLN 224 Cb 0.10 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xky h GLN 224 CO -0.01 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 1xky h ALA 225 N 1.90 1.00 0.00 3.87 0.00 -0.38 -3.47 119.26 122.18 1xky h ALA 225 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xky h ALA 225 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xky h ALA 225 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1xky n GLY 226 N 1.04 0.72 3.10 0.00 0.00 -0.20 -5.00 105.19 104.85 1xky n GLY 226 Ca 0.05 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xky n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xky n GLU 227 N -2.55 3.44 -0.33 1.61 1.02 0.24 -4.85 120.64 119.22 1xky n GLU 227 Ca 0.00 -3.53 -0.04 0.00 -0.02 0.00 0.00 57.16 53.57 1xky n GLU 227 Cb 0.00 -3.04 0.08 0.00 -0.02 0.00 0.00 31.44 28.47 1xky n GLU 227 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1xky h PHE 228 N 6.35 1.20 -0.28 -0.32 0.04 -1.90 -1.14 116.94 120.89 1xky h PHE 228 Ca 0.39 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 61.08 1xky h PHE 228 Cb 0.73 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1xky h PHE 228 CO 1.23 0.83 -0.02 0.87 -0.60 0.00 0.00 178.31 180.62 1xky h LYS 229 N 1.23 0.51 -0.08 1.51 1.79 -1.96 0.14 116.57 119.71 1xky h LYS 229 Ca 0.31 -0.17 0.02 0.00 -2.18 0.00 0.00 60.65 58.63 1xky h LYS 229 Cb 0.01 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1xky h LYS 229 CO -0.05 0.68 -0.03 0.87 -1.08 0.00 0.00 179.45 179.83 1xky h LYS 230 N 0.29 -0.02 -0.75 3.15 1.57 -1.91 -1.07 116.57 117.82 1xky h LYS 230 Ca 0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1xky h LYS 230 Cb 0.46 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1xky h LYS 230 CO 0.02 -0.02 0.50 0.00 -0.57 0.00 0.00 179.45 179.38 1xky h ALA 231 N 1.05 0.96 -0.70 3.86 0.00 -1.11 -2.72 119.26 120.60 1xky h ALA 231 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xky h ALA 231 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1xky h ALA 231 CO -0.09 0.36 0.21 1.96 0.00 0.00 0.00 179.25 181.69 1xky h GLN 232 N 1.01 1.08 -0.56 0.00 4.20 -0.47 0.70 115.11 121.07 1xky h GLN 232 Ca 0.28 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1xky h GLN 232 Cb -0.11 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1xky h GLN 232 CO -0.06 0.92 0.17 -0.22 -0.67 0.00 0.00 178.83 178.97 1xky h LYS 233 N 1.03 0.87 -0.14 1.46 3.64 -1.01 -1.70 116.57 120.73 1xky h LYS 233 Ca 0.23 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1xky h LYS 233 Cb 0.29 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1xky h LYS 233 CO -0.01 0.79 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.39 1xky h LEU 234 N 0.79 0.40 -0.78 5.20 3.38 -1.28 -2.83 115.31 120.19 1xky h LEU 234 Ca 0.18 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1xky h LEU 234 Cb 0.28 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1xky h LEU 234 CO -0.01 0.84 0.47 -0.74 0.09 0.00 0.00 178.44 179.10 1xky h HIS 235 N 0.29 0.88 -0.86 1.13 2.76 -0.65 -0.57 115.15 118.13 1xky h HIS 235 Ca 0.01 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1xky h HIS 235 Cb 0.99 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.63 1xky h HIS 235 CO 0.03 0.46 0.43 1.96 -1.30 0.00 0.00 177.93 179.51 1xky h GLN 236 N 0.88 1.23 -0.49 5.26 4.20 -1.13 -0.68 115.11 124.37 1xky h GLN 236 Ca 0.33 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1xky h GLN 236 Cb 0.13 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1xky h GLN 236 CO -0.16 0.93 0.19 1.25 -0.67 0.00 0.00 178.83 180.37 1xky h LEU 237 N 1.22 0.69 -0.52 1.46 5.85 -1.24 -2.34 115.31 120.41 1xky h LEU 237 Ca 0.30 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1xky h LEU 237 Cb 0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1xky h LEU 237 CO -0.04 0.68 0.23 0.25 -0.34 0.00 0.00 178.44 179.22 1xky h LEU 238 N 0.65 0.70 -0.37 2.25 5.85 -0.63 -0.89 115.31 122.87 1xky h LEU 238 Ca 0.16 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xky h LEU 238 Cb 0.21 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1xky h LEU 238 CO -0.01 0.65 0.22 0.58 -0.34 0.00 0.00 178.44 179.54 1xky h VAL 239 N 0.70 1.13 -0.16 1.05 2.07 -1.12 0.21 116.25 120.14 1xky h VAL 239 Ca 0.18 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1xky h VAL 239 Cb 0.15 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1xky h VAL 239 CO -0.02 0.13 0.08 -0.09 0.02 0.00 0.00 177.57 177.69 1xky h ARG 240 N 0.48 0.22 -0.24 1.57 2.43 -1.13 -1.35 114.38 116.36 1xky h ARG 240 Ca 0.13 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1xky h ARG 240 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xky h ARG 240 CO -0.02 0.23 -0.05 0.28 -1.51 0.00 0.00 179.97 178.90 1xky h VAL 241 N 0.15 1.28 -0.29 0.20 2.07 -1.12 -2.81 116.25 115.73 1xky h VAL 241 Ca 0.06 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1xky h VAL 241 Cb 0.08 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1xky h VAL 241 CO -0.01 0.32 -0.08 0.74 0.02 0.00 0.00 177.57 178.56 1xky h THR 242 N 0.21 0.69 -0.98 2.57 2.02 -0.89 -2.41 112.91 114.13 1xky h THR 242 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 1xky h THR 242 Cb 0.51 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1xky h THR 242 CO 0.02 0.00 0.63 0.44 0.37 0.00 0.00 175.52 176.98 1xky h ASP 243 N -0.02 1.01 0.40 4.18 3.32 -1.20 -0.81 116.42 123.30 1xky h ASP 243 Ca 0.14 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1xky h ASP 243 Cb 0.23 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1xky h ASP 243 CO -0.30 0.65 -0.07 0.77 -1.72 0.00 0.00 179.24 178.56 1xky h SER 244 N 1.15 0.00 0.35 6.45 4.64 -1.17 -2.51 113.55 122.46 1xky h SER 244 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1xky h SER 244 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xky h SER 244 CO -0.17 0.07 -0.15 0.18 -0.87 0.00 0.00 176.83 175.89 1xky n LEU 245 N -3.45 0.60 -0.47 5.97 4.32 -0.31 -4.08 117.00 119.58 1xky n LEU 245 Ca -0.02 -0.05 0.06 0.00 -0.02 0.00 0.00 56.01 55.99 1xky n LEU 245 Cb 0.21 -0.18 0.11 0.00 -1.62 0.00 0.00 43.42 41.94 1xky n LEU 245 CO 0.28 0.11 0.38 0.49 -1.22 0.00 0.00 177.39 177.43 1xky n PHE 246 N -0.91 0.00 0.18 -1.77 3.72 -0.95 -4.46 117.46 113.27 1xky n PHE 246 Ca 0.13 -0.81 0.12 0.00 -0.05 0.00 0.00 57.45 56.84 1xky n PHE 246 Cb 0.30 -0.15 0.10 0.00 -0.94 0.00 0.00 39.48 38.79 1xky n PHE 246 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1xky h MET 247 N 0.34 0.00 -5.88 -1.08 2.86 -1.70 -3.45 114.93 106.03 1xky h MET 247 Ca -0.03 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.07 1xky h MET 247 Cb 1.21 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.73 1xky h MET 247 CO 0.01 0.01 -0.74 0.00 1.06 0.00 0.00 176.91 177.26 1xky s ALA 248 N -3.26 2.45 0.09 6.32 0.00 -1.26 -5.10 121.76 121.00 1xky s ALA 248 Ca 0.04 -1.81 -0.35 0.00 0.00 0.00 0.00 51.96 49.84 1xky s ALA 248 Cb 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 23.12 22.91 1xky s ALA 248 CO 0.72 0.15 1.60 -2.30 0.00 0.00 0.00 175.76 175.92 1xky n PRO 249 N -0.54 1.97 -2.21 0.00 -0.02 -1.26 -4.71 135.00 128.22 1xky n PRO 249 Ca -0.06 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1xky n PRO 249 Cb 0.61 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1xky n PRO 249 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xky s SER 250 N 1.44 6.90 -0.22 2.55 0.15 -1.26 -1.90 113.70 121.36 1xky s SER 250 Ca 0.83 2.47 0.14 0.00 0.70 0.00 0.00 55.95 60.09 1xky s SER 250 Cb -0.74 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 61.48 1xky s SER 250 CO 0.42 -0.49 1.46 -0.81 1.20 0.00 0.00 173.24 175.02 1xky n PRO 251 N 1.92 2.60 -0.16 5.44 -0.04 -1.26 -4.92 135.00 138.58 1xky n PRO 251 Ca 0.03 -2.95 -0.11 0.00 -0.04 0.00 0.00 63.50 60.43 1xky n PRO 251 Cb 0.43 -1.85 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1xky n PRO 251 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xky h THR 252 N 1.55 1.27 -0.29 0.52 2.02 -1.69 -1.74 112.91 114.56 1xky h THR 252 Ca 0.09 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 1xky h THR 252 Cb 1.57 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1xky h THR 252 CO 0.31 0.46 0.11 -0.65 0.37 0.00 0.00 175.52 176.12 1xky h PRO 253 N 0.82 0.44 -0.25 6.66 0.11 -1.79 -2.56 132.00 135.42 1xky h PRO 253 Ca 0.11 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 1xky h PRO 253 Cb 0.76 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1xky h PRO 253 CO 0.06 0.47 -0.17 -0.24 -0.21 0.00 0.00 178.00 177.91 1xky h VAL 254 N 0.31 1.24 -0.62 3.15 3.04 -1.67 0.63 116.25 122.34 1xky h VAL 254 Ca 0.10 -1.07 -0.07 0.00 -1.01 0.00 0.00 66.70 64.64 1xky h VAL 254 Cb 0.20 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 1xky h VAL 254 CO -0.01 0.34 0.11 0.11 -1.01 0.00 0.00 177.57 177.11 1xky h LYS 255 N 0.40 1.02 -0.39 4.17 1.57 -1.34 -1.26 116.57 120.73 1xky h LYS 255 Ca 0.07 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 1xky h LYS 255 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1xky h LYS 255 CO 0.03 0.95 -0.34 1.15 -0.57 0.00 0.00 179.45 180.67 1xky h THR 256 N 0.92 1.27 -0.82 -0.16 2.02 -0.99 -2.58 112.91 112.58 1xky h THR 256 Ca 0.19 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1xky h THR 256 Cb 0.42 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1xky h THR 256 CO 0.01 0.51 0.40 0.00 0.37 0.00 0.00 175.52 176.81 1xky h ALA 257 N 0.85 1.17 -0.45 6.16 0.00 -0.75 -1.44 119.26 124.79 1xky h ALA 257 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xky h ALA 257 Cb 0.92 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xky h ALA 257 CO 0.09 0.64 0.27 -0.07 0.00 0.00 0.00 179.25 180.17 1xky h LEU 258 N 1.16 0.54 -0.78 0.00 3.38 -1.10 -2.20 115.31 116.32 1xky h LEU 258 Ca 0.28 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1xky h LEU 258 Cb 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1xky h LEU 258 CO -0.04 0.44 0.48 -0.61 0.09 0.00 0.00 178.44 178.80 1xky h GLN 259 N 0.60 0.86 -0.16 1.13 4.15 -1.15 0.99 115.11 121.53 1xky h GLN 259 Ca 0.16 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1xky h GLN 259 Cb 0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1xky h GLN 259 CO -0.03 0.57 0.11 0.52 -1.93 0.00 0.00 178.83 178.07 1xky h MET 260 N 0.89 0.17 -0.56 1.69 2.86 -0.81 -2.23 114.93 116.94 1xky h MET 260 Ca 0.33 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 1xky h MET 260 Cb 0.12 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1xky h MET 260 CO -0.15 0.11 0.02 1.33 1.06 0.00 0.00 176.91 179.28 1xky n VAL 261 N -4.51 2.75 -0.54 -2.22 0.24 -0.85 -4.93 118.33 108.25 1xky n VAL 261 Ca -0.00 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.81 1xky n VAL 261 Cb 0.11 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1xky n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 262 N 0.44 0.70 2.69 7.63 0.00 -0.84 -5.00 105.19 110.80 1xky n GLY 262 Ca 0.28 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1xky n GLY 262 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xky n LEU 263 N 0.00 2.54 -4.69 0.99 0.00 0.29 -4.98 117.00 111.14 1xky n LEU 263 Ca 0.00 -5.12 -0.42 0.00 0.00 0.00 0.00 56.01 50.47 1xky n LEU 263 Cb 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 43.42 42.91 1xky n LEU 263 CO 0.00 1.85 1.36 -0.62 0.00 0.00 0.00 177.39 179.98 1xky s ASP 264 N -1.46 6.55 -0.11 1.96 -1.08 -1.26 -2.98 116.67 118.30 1xky s ASP 264 Ca 0.30 2.57 0.14 0.00 -0.52 0.00 0.00 52.55 55.04 1xky s ASP 264 Cb 0.02 -2.57 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 1xky s ASP 264 CO -0.14 -0.91 1.14 1.33 0.52 0.00 0.00 175.17 177.11 1xky n VAL 265 N 4.64 1.43 -4.42 1.11 0.24 -1.26 -4.94 118.33 115.13 1xky n VAL 265 Ca 0.16 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.53 1xky n VAL 265 Cb 0.40 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1xky n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 266 N -0.92 -0.83 0.00 7.63 0.00 -1.23 -1.75 105.19 108.08 1xky n GLY 266 Ca 0.13 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1xky n GLY 266 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xky n SER 267 N -1.08 0.15 -4.31 1.61 2.88 -1.26 -4.80 113.62 106.81 1xky n SER 267 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1xky n SER 267 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1xky n SER 267 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xky s VAL 268 N 2.45 1.56 -0.04 2.46 -7.23 -1.26 -4.64 120.40 113.70 1xky s VAL 268 Ca 0.00 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 1xky s VAL 268 Cb 0.00 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1xky s VAL 268 CO 0.00 -0.59 0.30 -0.13 -0.31 0.00 0.00 175.10 174.37 1xky s ARG 269 N -3.49 3.70 0.33 4.82 0.52 -1.26 -4.83 118.95 118.75 1xky s ARG 269 Ca 0.19 0.16 -0.28 0.00 -0.52 0.00 0.00 55.73 55.29 1xky s ARG 269 Cb -0.01 -3.19 -0.13 0.00 0.52 0.00 0.00 34.95 32.15 1xky s ARG 269 CO 0.05 0.72 1.16 1.28 0.02 0.00 0.00 175.30 178.52 1xky n LEU 270 N 1.78 2.83 -0.22 2.53 4.77 -1.26 -1.32 117.00 126.11 1xky n LEU 270 Ca -0.16 1.18 0.03 0.00 -0.03 0.00 0.00 56.01 57.03 1xky n LEU 270 Cb 0.53 -1.40 0.11 0.00 -2.33 0.00 0.00 43.42 40.33 1xky n LEU 270 CO 0.36 -0.93 0.58 -0.81 -1.33 0.00 0.00 177.39 175.26 1xky n PRO 271 N 0.55 1.27 -2.94 3.23 -0.04 -1.26 -4.94 135.00 130.87 1xky n PRO 271 Ca 0.07 -0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 62.78 1xky n PRO 271 Cb 0.35 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 1xky n PRO 271 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xky s LEU 272 N -1.07 3.97 0.21 1.53 1.43 -0.43 -5.09 118.68 119.23 1xky s LEU 272 Ca 0.11 1.46 0.09 0.00 -1.03 0.00 0.00 54.13 54.76 1xky s LEU 272 Cb 0.05 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 1xky s LEU 272 CO 0.08 -0.31 -0.17 -0.76 0.23 0.00 0.00 176.35 175.42 1xky s LEU 273 N -3.18 2.53 0.97 1.79 1.43 -1.26 -4.46 118.68 116.50 1xky s LEU 273 Ca 0.58 -0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1xky s LEU 273 Cb -0.10 -0.85 0.18 0.00 0.03 0.00 0.00 46.19 45.45 1xky s LEU 273 CO 0.17 -0.07 1.10 -2.84 0.23 0.00 0.00 176.35 174.94 1xky s PRO 274 N -3.35 0.58 0.50 1.29 0.02 -1.26 -4.91 135.00 127.86 1xky s PRO 274 Ca 0.23 1.23 -0.23 0.00 0.02 0.00 0.00 61.00 62.25 1xky s PRO 274 Cb -0.03 -1.70 -0.06 0.00 0.02 0.00 0.00 34.50 32.72 1xky s PRO 274 CO 0.09 -2.83 1.33 -0.51 -0.33 0.00 0.00 177.00 174.75 1xky s LEU 275 N -6.69 3.97 1.00 -5.54 1.02 -1.26 -5.03 118.68 106.16 1xky s LEU 275 Ca 0.66 2.70 -0.12 0.00 0.02 0.00 0.00 54.13 57.39 1xky s LEU 275 Cb -0.22 -4.16 0.19 0.00 0.02 0.00 0.00 46.19 42.02 1xky s LEU 275 CO 0.60 -1.29 1.09 0.42 0.02 0.00 0.00 176.35 177.19 1xky s THR 276 N -1.32 2.05 0.21 5.49 -4.23 -1.26 -4.84 115.64 111.74 1xky s THR 276 Ca 0.66 0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 61.11 1xky s THR 276 Cb -0.39 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.09 1xky s THR 276 CO 0.47 -0.02 1.77 -0.08 -0.54 0.00 0.00 174.62 176.22 1xky h GLU 277 N -1.91 1.16 -0.48 3.99 4.57 -1.99 -1.04 114.58 118.88 1xky h GLU 277 Ca -0.55 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 57.39 1xky h GLU 277 Cb 1.33 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1xky h GLU 277 CO 0.58 0.94 0.18 1.49 -1.18 0.00 0.00 179.01 181.02 1xky h GLU 278 N 1.12 0.73 -0.77 1.92 4.81 -2.00 -1.35 114.58 119.04 1xky h GLU 278 Ca 0.26 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1xky h GLU 278 Cb 0.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1xky h GLU 278 CO -0.02 0.66 0.35 0.93 -0.73 0.00 0.00 179.01 180.20 1xky h GLU 279 N 0.64 1.11 -0.32 1.92 5.08 -1.89 -2.67 114.58 118.45 1xky h GLU 279 Ca 0.16 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xky h GLU 279 Cb 0.21 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xky h GLU 279 CO -0.01 0.88 0.14 -0.09 -1.00 0.00 0.00 179.01 178.93 1xky h ARG 280 N 1.09 0.48 -0.52 2.33 2.43 -0.87 -1.98 114.38 117.33 1xky h ARG 280 Ca 0.26 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1xky h ARG 280 Cb 0.14 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1xky h ARG 280 CO -0.03 0.47 0.29 0.28 -1.51 0.00 0.00 179.97 179.47 1xky h VAL 281 N 0.38 1.01 -0.31 0.20 2.07 -1.15 -0.20 116.25 118.25 1xky h VAL 281 Ca 0.11 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1xky h VAL 281 Cb 0.16 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1xky h VAL 281 CO -0.01 0.10 0.20 0.74 0.02 0.00 0.00 177.57 178.62 1xky h THR 282 N 0.57 1.08 -0.29 2.57 2.02 -1.34 -2.31 112.91 115.21 1xky h THR 282 Ca 0.22 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1xky h THR 282 Cb 0.08 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1xky h THR 282 CO -0.13 0.08 0.08 0.25 0.37 0.00 0.00 175.52 176.18 1xky h LEU 283 N 0.41 0.44 -0.91 2.58 5.85 -0.98 -2.91 115.31 119.79 1xky h LEU 283 Ca 0.11 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1xky h LEU 283 Cb -0.04 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1xky h LEU 283 CO -0.02 0.54 0.58 -0.61 -0.34 0.00 0.00 178.44 178.58 1xky h GLN 284 N 0.31 1.04 -0.93 1.25 4.15 -0.91 -0.64 115.11 119.38 1xky h GLN 284 Ca 0.09 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1xky h GLN 284 Cb 0.26 -0.23 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 1xky h GLN 284 CO -0.00 0.69 0.62 1.03 -1.93 0.00 0.00 178.83 179.24 1xky h SER 285 N 1.07 1.07 -0.05 -0.69 0.87 -1.31 0.27 113.55 114.79 1xky h SER 285 Ca 0.39 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1xky h SER 285 Cb 0.13 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1xky h SER 285 CO -0.16 0.78 0.02 0.58 -0.53 0.00 0.00 176.83 177.51 1xky h VAL 286 N 1.27 1.15 -0.64 2.23 2.07 -1.11 -2.34 116.25 118.87 1xky h VAL 286 Ca 0.34 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xky h VAL 286 Cb -0.14 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1xky h VAL 286 CO -0.08 0.12 0.43 0.24 0.02 0.00 0.00 177.57 178.31 1xky h MET 287 N -0.10 0.85 0.00 1.57 2.07 -0.69 -1.87 114.93 116.75 1xky h MET 287 Ca 0.02 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.57 1xky h MET 287 Cb 0.18 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1xky h MET 287 CO -0.00 0.56 -0.13 1.96 1.07 0.00 0.00 176.91 180.37 1xky h GLN 288 N 0.87 0.00 -0.01 1.72 4.20 -0.41 -2.83 115.11 118.66 1xky h GLN 288 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1xky h GLN 288 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xky h GLN 288 CO -0.05 0.13 -0.06 -1.13 -0.67 0.00 0.00 178.83 177.04 1xky n SER 289 N -4.15 0.74 -4.69 1.46 3.41 -0.71 -4.85 113.62 104.83 1xky n SER 289 Ca -0.02 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.17 1xky n SER 289 Cb 0.20 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1xky n SER 289 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xky s ILE 290 N -2.22 3.45 0.22 -1.33 1.01 -1.07 -4.94 121.20 116.33 1xky s ILE 290 Ca 0.36 0.89 -0.32 0.00 0.00 0.00 0.00 60.65 61.58 1xky s ILE 290 Cb 0.21 -3.57 -0.13 0.00 0.01 0.00 0.00 42.46 38.98 1xky s ILE 290 CO 0.41 0.01 1.54 -2.65 0.00 0.00 0.00 174.94 174.24 1xky n PRO 291 N 5.23 2.30 0.00 2.79 -0.02 -1.26 -5.10 135.00 138.94 1xky n PRO 291 Ca 0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1xky n PRO 291 Cb 0.42 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1xky n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02