#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 2.66 -0.28 1.12 2.07 -1.26 -5.01 121.20 120.50 1xky s ILE 2 Ca 0.00 0.66 0.00 0.00 -1.41 0.00 0.00 60.65 59.90 1xky s ILE 2 Cb 0.00 -3.42 0.05 0.00 0.13 0.00 0.00 42.46 39.22 1xky s ILE 2 CO 0.00 0.16 -0.05 -0.62 -1.91 0.00 0.00 174.94 172.52 1xky s ASP 3 N -0.43 4.69 0.00 4.50 2.15 -1.26 -4.96 116.67 121.37 1xky s ASP 3 Ca 0.50 -1.31 0.28 0.00 0.43 0.00 0.00 52.55 52.44 1xky s ASP 3 Cb -0.40 -1.64 1.08 0.00 -0.30 0.00 0.00 42.92 41.65 1xky s ASP 3 CO 0.53 -0.23 1.80 0.49 -0.17 0.00 0.00 175.17 177.60 1xky n PHE 4 N 4.55 0.00 -4.19 -5.34 3.72 -1.26 -4.79 117.46 110.15 1xky n PHE 4 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1xky n PHE 4 Cb 0.43 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.44 -1.12 0.10 1.37 0.00 -1.26 -3.65 105.19 102.07 1xky n GLY 5 Ca 0.09 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.03 0.89 -3.62 2.61 -2.24 -1.26 -4.68 114.28 105.95 1xky n THR 6 Ca 0.00 -0.62 -0.29 0.00 -2.27 0.00 0.00 64.05 60.86 1xky n THR 6 Cb 0.00 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.13 0.53 -0.13 2.28 1.01 -1.26 -1.03 121.20 119.47 1xky s ILE 7 Ca -0.02 -1.46 -0.22 0.00 0.00 0.00 0.00 60.65 58.95 1xky s ILE 7 Cb 0.09 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1xky s ILE 7 CO 0.81 -0.79 0.66 0.00 0.00 0.00 0.00 174.94 175.61 1xky s ALA 8 N 1.45 3.44 -0.22 9.38 0.00 -0.42 -0.25 121.76 135.15 1xky s ALA 8 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1xky s ALA 8 Cb -0.19 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1xky s ALA 8 CO -0.19 -0.29 0.27 0.99 0.00 0.00 0.00 175.76 176.54 1xky s THR 9 N 1.28 5.29 -1.04 0.00 2.01 -0.21 0.20 115.64 123.16 1xky s THR 9 Ca 0.33 0.44 -0.23 0.00 0.31 0.00 0.00 61.69 62.54 1xky s THR 9 Cb -0.17 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1xky s THR 9 CO 0.14 0.31 1.64 0.00 -0.69 0.00 0.00 174.62 176.02 1xky s ALA 10 N 1.10 2.48 0.19 7.40 0.00 -0.02 -0.70 121.76 132.21 1xky s ALA 10 Ca 0.13 -2.16 -0.30 0.00 0.00 0.00 0.00 51.96 49.63 1xky s ALA 10 Cb -0.14 -4.56 -0.09 0.00 0.00 0.00 0.00 23.12 18.33 1xky s ALA 10 CO 0.06 -3.98 1.35 1.41 0.00 0.00 0.00 175.76 174.60 1xky s MET 11 N 5.47 4.35 0.72 0.00 1.75 -0.66 -4.67 119.30 126.27 1xky s MET 11 Ca 0.54 2.10 -0.14 0.00 -1.25 0.00 0.00 55.69 56.94 1xky s MET 11 Cb -0.01 -3.19 0.03 0.00 2.84 0.00 0.00 34.83 34.50 1xky s MET 11 CO -0.04 -0.32 1.15 0.14 -0.65 0.00 0.00 175.02 175.30 1xky s VAL 12 N 0.31 2.81 -0.43 10.11 -7.23 -1.26 -3.02 120.40 121.69 1xky s VAL 12 Ca 0.59 0.36 -0.13 0.00 -1.81 0.00 0.00 61.98 60.98 1xky s VAL 12 Cb -0.37 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 33.77 1xky s VAL 12 CO 0.37 -0.25 0.31 -0.89 -0.31 0.00 0.00 175.10 174.33 1xky s THR 13 N -2.31 4.91 0.30 5.32 2.01 -1.26 -4.87 115.64 119.74 1xky s THR 13 Ca 0.69 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 1xky s THR 13 Cb -0.23 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.31 1xky s THR 13 CO 0.46 -0.43 1.46 -2.84 -0.69 0.00 0.00 174.62 172.58 1xky s PRO 14 N 1.59 4.22 0.19 4.92 0.02 -1.26 -4.96 135.00 139.72 1xky s PRO 14 Ca 0.04 2.40 0.11 0.00 0.02 0.00 0.00 61.00 63.57 1xky s PRO 14 Cb -0.22 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1xky s PRO 14 CO 0.07 -0.45 -0.22 -0.06 -0.33 0.00 0.00 177.00 176.01 1xky s PHE 15 N -0.43 2.36 0.62 6.54 2.99 -0.51 -1.09 117.98 128.46 1xky s PHE 15 Ca 0.57 -0.34 -0.08 0.00 0.00 0.00 0.00 56.93 57.09 1xky s PHE 15 Cb -0.44 -1.16 0.14 0.00 0.00 0.00 0.00 43.02 41.56 1xky s PHE 15 CO 0.50 0.51 0.84 -0.40 -0.00 0.00 0.00 175.22 176.67 1xky n ASP 16 N 0.21 0.33 -0.07 1.36 5.68 0.83 -3.44 116.55 121.45 1xky n ASP 16 Ca -0.12 -1.47 0.23 0.00 -0.50 0.00 0.00 54.79 52.93 1xky n ASP 16 Cb 0.56 -0.62 0.69 0.00 -1.14 0.00 0.00 41.12 40.62 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 -1.22 0.67 -0.60 2.12 2.10 -2.00 -1.43 117.51 117.15 1xky h ILE 17 Ca -0.27 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1xky h ILE 17 Cb 0.82 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1xky h ILE 17 CO 0.22 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.88 1xky n ASN 18 N -4.34 3.87 0.00 2.19 5.03 -1.26 -4.95 115.26 115.80 1xky n ASN 18 Ca 0.13 -2.14 0.00 0.00 0.87 0.00 0.00 54.58 53.45 1xky n ASN 18 Cb 0.73 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 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 1.17 0.76 3.82 7.41 0.00 -0.54 -5.06 105.19 112.74 1xky n GLY 19 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.79 6.37 0.14 1.61 -0.87 -1.26 -4.71 114.94 113.43 1xky s ASN 20 Ca 0.00 1.75 -0.34 0.00 -1.57 0.00 0.00 52.86 52.70 1xky s ASN 20 Cb 0.00 -2.53 -0.13 0.00 -0.02 0.00 0.00 41.25 38.56 1xky s ASN 20 CO 0.00 -0.76 1.64 -0.38 -2.57 0.00 0.00 177.10 175.02 1xky n ILE 21 N -1.40 0.07 -3.41 0.60 5.41 -1.26 -0.12 119.36 119.25 1xky n ILE 21 Ca 0.08 -0.01 -0.44 0.00 1.00 0.00 0.00 62.75 63.38 1xky n ILE 21 Cb 0.53 -1.65 -0.06 0.00 -0.71 0.00 0.00 39.64 37.75 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 1.32 6.04 0.25 4.38 -1.08 -0.25 -4.69 116.67 122.65 1xky s ASP 22 Ca 0.80 -1.95 -0.02 0.00 -0.52 0.00 0.00 52.55 50.86 1xky s ASP 22 Cb -0.65 -2.13 0.31 0.00 -1.46 0.00 0.00 42.92 39.00 1xky s ASP 22 CO 0.38 -0.76 1.71 -0.26 0.52 0.00 0.00 175.17 176.77 1xky h PHE 23 N 8.58 0.77 -0.51 -5.34 -1.00 -1.92 -0.83 116.94 116.68 1xky h PHE 23 Ca -0.22 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.37 1xky h PHE 23 Cb 1.08 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 1xky h PHE 23 CO 0.72 0.80 0.15 0.00 -1.61 0.00 0.00 178.31 178.37 1xky h ALA 24 N 1.22 0.67 -0.33 2.45 0.00 -1.98 -0.57 119.26 120.72 1xky h ALA 24 Ca 0.11 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1xky h ALA 24 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xky h ALA 24 CO 0.04 0.35 -0.20 0.87 0.00 0.00 0.00 179.25 180.31 1xky h LYS 25 N 0.71 0.62 -0.73 0.00 1.57 -1.87 -2.59 116.57 114.27 1xky h LYS 25 Ca 0.16 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xky h LYS 25 Cb 0.30 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1xky h LYS 25 CO -0.00 0.78 0.42 1.15 -0.57 0.00 0.00 179.45 181.22 1xky h THR 26 N 0.55 1.22 -0.37 -0.16 2.02 -0.84 0.27 112.91 115.59 1xky h THR 26 Ca 0.09 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1xky h THR 26 Cb 0.65 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1xky h THR 26 CO 0.05 0.23 0.19 0.74 0.37 0.00 0.00 175.52 177.10 1xky h THR 27 N 1.00 0.99 -0.66 3.16 2.02 -0.88 -0.70 112.91 117.84 1xky h THR 27 Ca 0.26 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1xky h THR 27 Cb 0.01 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1xky h THR 27 CO -0.04 0.07 0.32 0.11 0.37 0.00 0.00 175.52 176.35 1xky h LYS 28 N 0.39 0.94 -0.35 6.66 1.57 -1.09 -2.50 116.57 122.19 1xky h LYS 28 Ca 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1xky h LYS 28 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1xky h LYS 28 CO -0.11 0.74 0.13 1.25 -0.57 0.00 0.00 179.45 180.90 1xky h LEU 29 N 0.91 0.49 -0.11 2.94 5.85 -0.62 -1.28 115.31 123.48 1xky h LEU 29 Ca 0.23 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1xky h LEU 29 Cb 0.11 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xky h LEU 29 CO -0.03 0.53 0.04 0.58 -0.34 0.00 0.00 178.44 179.22 1xky h VAL 30 N 0.41 0.98 -0.72 1.05 2.07 -1.03 -0.68 116.25 118.32 1xky h VAL 30 Ca 0.11 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1xky h VAL 30 Cb 0.20 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1xky h VAL 30 CO -0.01 0.02 0.48 0.78 0.02 0.00 0.00 177.57 178.86 1xky h ASN 31 N 0.10 0.83 -0.28 0.57 2.35 -1.41 -2.48 115.58 115.26 1xky h ASN 31 Ca 0.05 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1xky h ASN 31 Cb 0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1xky h ASN 31 CO -0.05 0.61 0.13 0.22 -1.65 0.00 0.00 177.43 176.69 1xky h TYR 32 N 0.98 0.25 -0.23 1.19 3.20 -0.80 -2.17 116.97 119.38 1xky h TYR 32 Ca 0.26 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1xky h TYR 32 Cb -0.11 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1xky h TYR 32 CO -0.02 0.14 0.14 -0.07 -1.64 0.00 0.00 178.16 176.70 1xky h LEU 33 N 0.28 0.28 -1.50 2.82 3.38 -0.94 -1.46 115.31 118.18 1xky h LEU 33 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xky h LEU 33 Cb 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xky h LEU 33 CO -0.08 0.27 0.12 0.40 0.09 0.00 0.00 178.44 179.23 1xky h ILE 34 N 0.28 1.13 0.00 1.22 2.04 -1.36 0.86 117.51 121.68 1xky h ILE 34 Ca 0.08 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1xky h ILE 34 Cb 0.04 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1xky h ILE 34 CO -0.01 0.16 0.00 -0.67 0.00 0.00 0.00 178.15 177.63 1xky n ASP 35 N -4.40 0.00 -2.29 1.72 2.03 -0.82 -3.96 116.55 108.83 1xky n ASP 35 Ca 0.02 0.33 -0.22 0.00 0.52 0.00 0.00 54.79 55.43 1xky n ASP 35 Cb 0.14 -0.44 0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1xky n ASP 35 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xky n ASN 36 N -1.44 4.37 0.00 1.67 3.02 0.24 -4.97 115.26 118.15 1xky n ASN 36 Ca 0.09 -3.54 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 1xky n ASN 36 Cb 0.31 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.58 0.92 3.70 7.41 0.00 -1.14 -3.56 105.19 111.93 1xky n GLY 37 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.11 4.20 -0.90 2.61 2.01 -0.86 -4.65 115.64 114.94 1xky s THR 38 Ca 0.00 1.54 0.15 0.00 0.31 0.00 0.00 61.69 63.69 1xky s THR 38 Cb 0.00 -3.99 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 1xky s THR 38 CO 0.00 0.04 0.68 0.35 -0.69 0.00 0.00 174.62 175.00 1xky n THR 39 N 4.41 0.00 -3.50 -0.82 -2.24 0.65 -4.56 114.28 108.22 1xky n THR 39 Ca 0.10 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1xky n THR 39 Cb 0.46 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 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 -2.22 -1.74 -0.14 6.98 0.00 -1.18 -4.15 121.76 119.31 1xky s ALA 40 Ca 0.08 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1xky s ALA 40 Cb 0.11 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1xky s ALA 40 CO 0.54 -0.49 -0.21 0.42 0.00 0.00 0.00 175.76 176.01 1xky s ILE 41 N -1.99 2.03 -0.23 0.00 1.01 -0.36 -1.05 121.20 120.61 1xky s ILE 41 Ca -0.06 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1xky s ILE 41 Cb -0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1xky s ILE 41 CO 0.02 0.54 0.47 -0.69 0.00 0.00 0.00 174.94 175.28 1xky s VAL 42 N 0.90 5.12 -0.14 2.92 1.01 0.13 -0.10 120.40 130.24 1xky s VAL 42 Ca -0.05 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1xky s VAL 42 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1xky s VAL 42 CO -0.04 0.16 -0.03 -0.69 0.00 0.00 0.00 175.10 174.50 1xky s VAL 43 N 1.83 3.97 -0.91 2.92 1.01 0.13 -1.66 120.40 127.69 1xky s VAL 43 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1xky s VAL 43 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1xky s VAL 43 CO 0.09 0.51 0.13 0.61 0.00 0.00 0.00 175.10 176.44 1xky n GLY 44 N 3.30 -0.04 0.00 4.51 0.00 -1.26 -1.38 105.19 110.32 1xky n GLY 44 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.07 0.32 0.12 -0.02 0.00 -1.26 -4.32 105.19 98.95 1xky n GLY 45 Ca -0.10 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.10 0.84 0.00 2.61 2.02 -1.95 -1.02 112.91 115.31 1xky h THR 46 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1xky h THR 46 Cb 0.00 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1xky h THR 46 CO 0.00 0.01 -0.16 0.74 0.37 0.00 0.00 175.52 176.49 1xky h THR 47 N 0.08 0.67 -0.21 3.16 2.02 -1.87 -2.06 112.91 114.70 1xky h THR 47 Ca 0.11 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1xky h THR 47 Cb 0.14 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1xky h THR 47 CO -0.18 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.47 1xky n GLY 48 N -0.61 1.07 3.71 2.16 0.00 -0.47 -4.26 105.19 106.78 1xky n GLY 48 Ca -0.02 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 0.19 -6.71 -0.34 1.61 1.02 -0.78 -4.29 120.64 111.35 1xky n GLU 49 Ca 0.08 0.73 0.19 0.00 -0.02 0.00 0.00 57.16 58.14 1xky n GLU 49 Cb 0.38 -5.68 0.41 0.00 -0.02 0.00 0.00 31.44 26.53 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 -2.34 0.63 -0.13 1.62 4.64 -1.50 -1.62 113.55 114.86 1xky h SER 50 Ca -0.58 0.14 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1xky h SER 50 Cb 1.37 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1xky h SER 50 CO 0.59 0.07 0.09 -0.65 -0.87 0.00 0.00 176.83 176.06 1xky h PRO 51 N 0.53 0.11 -0.28 4.77 0.11 -1.90 -2.71 132.00 132.63 1xky h PRO 51 Ca 0.66 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.76 1xky h PRO 51 Cb 1.32 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1xky h PRO 51 CO -0.48 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 177.63 1xky n THR 52 N -4.51 0.41 -3.56 -1.15 -2.24 -0.62 -4.92 114.28 97.69 1xky n THR 52 Ca -0.01 -0.71 -0.38 0.00 -2.27 0.00 0.00 64.05 60.69 1xky n THR 52 Cb 0.13 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.41 4.45 0.75 3.22 1.43 -1.02 -5.09 118.68 121.01 1xky s LEU 53 Ca 0.31 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 1xky s LEU 53 Cb 0.19 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1xky s LEU 53 CO 0.27 0.33 1.08 0.42 0.23 0.00 0.00 176.35 178.67 1xky s THR 54 N -0.99 3.50 0.29 5.49 -4.23 -1.26 -4.87 115.64 113.57 1xky s THR 54 Ca 0.22 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 61.23 1xky s THR 54 Cb -0.16 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.72 1xky s THR 54 CO 0.12 -0.64 1.86 -1.28 -0.54 0.00 0.00 174.62 174.13 1xky h SER 55 N -0.91 0.94 -0.48 3.99 0.87 -1.99 -1.06 113.55 114.91 1xky h SER 55 Ca -0.46 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.03 1xky h SER 55 Cb 1.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1xky h SER 55 CO 0.59 0.53 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.98 1xky h GLU 56 N 1.02 0.92 -0.49 2.24 3.07 -2.00 -2.01 114.58 117.33 1xky h GLU 56 Ca 0.47 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1xky h GLU 56 Cb 0.41 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1xky h GLU 56 CO -0.23 1.01 0.29 0.93 -1.40 0.00 0.00 179.01 179.61 1xky h GLU 57 N 0.77 0.67 -0.13 2.33 5.08 -1.83 -1.37 114.58 120.10 1xky h GLU 57 Ca 0.12 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1xky h GLU 57 Cb 0.66 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1xky h GLU 57 CO 0.05 0.49 -0.11 0.87 -1.00 0.00 0.00 179.01 179.30 1xky h LYS 58 N 0.66 -0.13 -0.40 2.33 1.57 -1.01 0.17 116.57 119.75 1xky h LYS 58 Ca 0.18 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1xky h LYS 58 Cb -0.00 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1xky h LYS 58 CO -0.03 -0.08 0.17 0.28 -0.57 0.00 0.00 179.45 179.21 1xky h VAL 59 N -0.13 1.19 -0.77 0.50 2.07 -1.26 0.34 116.25 118.18 1xky h VAL 59 Ca 0.09 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.09 1xky h VAL 59 Cb 0.26 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1xky h VAL 59 CO -0.21 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.05 1xky h ALA 60 N 1.02 1.04 -0.20 1.67 0.00 -1.03 -0.48 119.26 121.28 1xky h ALA 60 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xky h ALA 60 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xky h ALA 60 CO -0.01 0.19 0.04 1.25 0.00 0.00 0.00 179.25 180.72 1xky h LEU 61 N 0.86 0.31 -0.26 0.00 5.85 -0.11 -1.95 115.31 120.01 1xky h LEU 61 Ca 0.33 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1xky h LEU 61 Cb 0.15 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1xky h LEU 61 CO -0.17 0.47 -0.01 1.88 -0.34 0.00 0.00 178.44 180.27 1xky h TYR 62 N 0.14 -0.03 -0.40 1.25 0.05 0.05 -1.37 116.97 116.65 1xky h TYR 62 Ca 0.06 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1xky h TYR 62 Cb 0.29 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 1xky h TYR 62 CO 0.01 -0.05 0.13 -0.09 -1.05 0.00 0.00 178.16 177.11 1xky h ARG 63 N 0.07 0.27 -0.21 4.88 2.43 -1.06 -0.27 114.38 120.49 1xky h ARG 63 Ca 0.12 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1xky h ARG 63 Cb 0.17 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xky h ARG 63 CO -0.22 0.18 0.10 1.25 -1.51 0.00 0.00 179.97 179.77 1xky h HIS 64 N 0.28 0.30 -0.56 2.20 2.76 -1.06 -1.80 115.15 117.27 1xky h HIS 64 Ca 0.19 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1xky h HIS 64 Cb 0.19 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1xky h HIS 64 CO -0.16 0.30 0.29 0.28 -1.30 0.00 0.00 177.93 177.35 1xky h VAL 65 N 0.21 1.19 -0.41 5.26 2.07 -0.96 -1.37 116.25 122.24 1xky h VAL 65 Ca 0.07 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1xky h VAL 65 Cb 0.12 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1xky h VAL 65 CO -0.01 0.21 -0.05 0.58 0.02 0.00 0.00 177.57 178.32 1xky h VAL 66 N 0.75 0.64 -0.18 2.57 2.07 -0.88 0.42 116.25 121.64 1xky h VAL 66 Ca 0.19 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.73 1xky h VAL 66 Cb 0.07 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1xky h VAL 66 CO -0.03 0.01 -0.07 -1.28 0.02 0.00 0.00 177.57 176.22 1xky h SER 67 N 0.06 -0.24 -0.27 0.57 0.87 -0.84 -1.86 113.55 111.83 1xky h SER 67 Ca 0.20 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1xky h SER 67 Cb 0.30 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1xky h SER 67 CO -0.38 -0.10 -0.13 0.58 -0.53 0.00 0.00 176.83 176.28 1xky h VAL 68 N -0.05 1.30 -0.96 2.23 2.07 -0.91 -3.08 116.25 116.84 1xky h VAL 68 Ca 0.09 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1xky h VAL 68 Cb 0.18 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1xky h VAL 68 CO -0.21 0.38 0.63 0.58 0.02 0.00 0.00 177.57 178.98 1xky h VAL 69 N 0.30 1.20 -6.28 2.57 2.07 -0.85 -3.47 116.25 111.78 1xky h VAL 69 Ca 0.06 -0.43 -0.47 0.00 0.82 0.00 0.00 66.70 66.68 1xky h VAL 69 Cb 0.64 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1xky h VAL 69 CO 0.04 0.23 -0.80 -0.67 0.02 0.00 0.00 177.57 176.39 1xky n ASP 70 N -4.45 -3.21 -0.93 0.57 4.64 -0.71 -1.57 116.55 110.90 1xky n ASP 70 Ca 0.12 -0.83 -0.12 0.00 -1.38 0.00 0.00 54.79 52.58 1xky n ASP 70 Cb 0.06 -3.80 -0.05 0.00 -1.04 0.00 0.00 41.12 36.29 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 -4.52 -1.23 -0.08 -0.67 4.76 -1.26 -4.90 118.16 110.25 1xky n LYS 71 Ca -0.09 0.90 -0.13 0.00 -2.87 0.00 0.00 58.31 56.12 1xky n LYS 71 Cb 0.58 -5.08 -0.00 0.00 -1.84 0.00 0.00 35.03 28.69 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 0.06 0.84 -4.42 1.97 3.08 -1.67 -3.45 114.38 110.79 1xky h ARG 72 Ca -0.25 -0.47 -0.19 0.00 0.07 0.00 0.00 59.98 59.14 1xky h ARG 72 Cb 0.99 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 30.90 1xky h ARG 72 CO 0.36 1.11 -0.70 0.14 -1.07 0.00 0.00 179.97 179.82 1xky s VAL 73 N -4.26 0.44 0.47 2.04 -7.23 -1.26 -5.07 120.40 105.54 1xky s VAL 73 Ca -0.10 -1.67 -0.24 0.00 -1.81 0.00 0.00 61.98 58.16 1xky s VAL 73 Cb 0.11 -1.33 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 1xky s VAL 73 CO 0.87 -0.81 1.40 -2.84 -0.31 0.00 0.00 175.10 173.42 1xky s PRO 74 N -3.30 3.56 -0.25 4.82 0.02 -1.26 -4.86 135.00 133.73 1xky s PRO 74 Ca 0.04 2.36 -0.05 0.00 0.02 0.00 0.00 61.00 63.37 1xky s PRO 74 Cb 0.03 -2.56 -0.00 0.00 0.02 0.00 0.00 34.50 31.98 1xky s PRO 74 CO -0.05 -0.90 0.00 0.08 -0.33 0.00 0.00 177.00 175.80 1xky s VAL 75 N -1.23 3.63 -0.22 3.83 1.01 -1.26 -1.22 120.40 124.93 1xky s VAL 75 Ca 0.64 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1xky s VAL 75 Cb -0.43 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1xky s VAL 75 CO 0.54 0.30 0.03 -0.63 0.00 0.00 0.00 175.10 175.34 1xky s ILE 76 N 1.49 4.09 -0.11 2.22 1.01 0.86 -1.03 121.20 129.74 1xky s ILE 76 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 1xky s ILE 76 Cb -0.15 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1xky s ILE 76 CO -0.01 0.39 0.33 0.00 0.00 0.00 0.00 174.94 175.65 1xky s ALA 77 N 1.26 3.65 -1.42 9.38 0.00 -0.54 0.21 121.76 134.28 1xky s ALA 77 Ca 0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1xky s ALA 77 Cb -0.15 -2.36 0.05 0.00 0.00 0.00 0.00 23.12 20.67 1xky s ALA 77 CO 0.02 0.26 2.13 0.41 0.00 0.00 0.00 175.76 178.58 1xky n GLY 78 N 2.75 4.19 0.08 0.00 0.00 -0.48 0.01 105.19 111.75 1xky n GLY 78 Ca -0.13 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 4.19 0.00 -3.55 2.61 1.35 -1.81 -3.45 112.91 112.26 1xky h THR 79 Ca 0.54 -0.61 -0.52 0.00 -0.55 0.00 0.00 66.41 65.27 1xky h THR 79 Cb 0.67 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1xky h THR 79 CO 1.81 0.00 0.43 -0.83 -0.25 0.00 0.00 175.52 176.68 1xky s GLY 80 N -3.83 2.90 0.00 5.82 0.00 -1.03 -4.58 107.32 106.60 1xky s GLY 80 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1xky s GLY 80 CO 0.75 1.58 0.00 -1.14 0.00 0.00 0.00 173.10 174.29 1xky n SER 81 N 2.56 1.17 -1.03 1.64 3.41 -1.26 -4.41 113.62 115.71 1xky n SER 81 Ca 0.03 -0.22 0.07 0.00 -0.26 0.00 0.00 58.87 58.49 1xky n SER 81 Cb 0.47 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.40 2.97 -3.94 4.04 2.04 -1.26 -4.49 115.26 114.23 1xky n ASN 82 Ca 0.00 -2.15 -0.30 0.00 -0.44 0.00 0.00 54.58 51.69 1xky n ASN 82 Cb 0.00 -0.40 -0.16 0.00 -2.53 0.00 0.00 39.78 36.69 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 -0.88 3.45 0.12 0.53 3.84 -1.26 -4.92 114.94 115.82 1xky s ASN 83 Ca 0.33 -0.96 -0.17 0.00 0.21 0.00 0.00 52.86 52.27 1xky s ASN 83 Cb 0.19 -1.11 -0.03 0.00 -0.55 0.00 0.00 41.25 39.75 1xky s ASN 83 CO 0.19 -0.20 1.64 0.74 -2.79 0.00 0.00 177.10 176.69 1xky h THR 84 N 6.52 1.20 -0.56 -5.21 2.02 -1.96 -0.83 112.91 114.09 1xky h THR 84 Ca -0.22 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1xky h THR 84 Cb 1.09 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1xky h THR 84 CO 0.43 0.22 0.35 -0.74 0.37 0.00 0.00 175.52 176.15 1xky h HIS 85 N 0.40 0.73 -0.39 3.16 -0.00 -1.98 -0.49 115.15 116.59 1xky h HIS 85 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 1xky h HIS 85 Cb 0.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1xky h HIS 85 CO 0.00 0.49 -0.08 0.00 -0.00 0.00 0.00 177.93 178.35 1xky h ALA 86 N 1.18 1.13 -0.46 5.26 0.00 -1.95 -1.93 119.26 122.49 1xky h ALA 86 Ca 0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1xky h ALA 86 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xky h ALA 86 CO -0.04 0.55 -0.05 0.77 0.00 0.00 0.00 179.25 180.48 1xky h SER 87 N 0.62 0.84 -0.59 0.00 0.02 -0.45 -0.94 113.55 113.04 1xky h SER 87 Ca 0.11 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1xky h SER 87 Cb 0.50 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1xky h SER 87 CO 0.03 0.98 0.35 0.40 -1.14 0.00 0.00 176.83 177.44 1xky h ILE 88 N 0.69 1.18 0.08 3.27 2.04 -0.93 -0.56 117.51 123.28 1xky h ILE 88 Ca 0.12 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1xky h ILE 88 Cb 0.58 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1xky h ILE 88 CO 0.03 0.19 -0.09 -0.78 0.00 0.00 0.00 178.15 177.50 1xky h ASP 89 N 0.80 -0.23 -0.04 1.72 3.58 -1.09 -1.35 116.42 119.80 1xky h ASP 89 Ca 0.21 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.57 1xky h ASP 89 Cb -0.00 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1xky h ASP 89 CO -0.04 -0.14 -0.32 0.25 -2.88 0.00 0.00 179.24 176.11 1xky h LEU 90 N -0.19 0.53 -0.56 2.28 5.85 -1.12 -1.86 115.31 120.25 1xky h LEU 90 Ca 0.01 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1xky h LEU 90 Cb 0.19 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xky h LEU 90 CO -0.03 0.82 0.33 0.74 -0.34 0.00 0.00 178.44 179.97 1xky h THR 91 N 0.44 1.17 -0.13 1.05 2.02 -0.95 -0.26 112.91 116.25 1xky h THR 91 Ca 0.05 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1xky h THR 91 Cb 0.78 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1xky h THR 91 CO 0.06 0.18 0.02 0.11 0.37 0.00 0.00 175.52 176.26 1xky h LYS 92 N 0.75 0.07 -0.78 6.66 1.57 -1.00 -1.19 116.57 122.66 1xky h LYS 92 Ca 0.20 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xky h LYS 92 Cb -0.01 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1xky h LYS 92 CO -0.04 0.05 0.48 0.87 -0.57 0.00 0.00 179.45 180.24 1xky h LYS 93 N 0.07 1.05 -0.32 3.15 1.57 -1.03 -1.79 116.57 119.28 1xky h LYS 93 Ca 0.06 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1xky h LYS 93 Cb 0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1xky h LYS 93 CO -0.08 0.73 -0.15 0.00 -0.57 0.00 0.00 179.45 179.38 1xky h ALA 94 N 1.45 0.45 -0.75 3.86 0.00 -0.87 -2.87 119.26 120.54 1xky h ALA 94 Ca 0.28 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xky h ALA 94 Cb -0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1xky h ALA 94 CO -0.05 0.35 0.39 1.15 0.00 0.00 0.00 179.25 181.09 1xky h THR 95 N 0.43 0.86 0.00 0.00 2.02 -0.93 -2.05 112.91 113.25 1xky h THR 95 Ca 0.07 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1xky h THR 95 Cb 0.68 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1xky h THR 95 CO 0.05 0.12 -0.13 -0.33 0.37 0.00 0.00 175.52 175.60 1xky h GLU 96 N 0.66 0.00 -0.60 6.66 5.08 -1.18 -2.13 114.58 123.08 1xky h GLU 96 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xky h GLU 96 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xky h GLU 96 CO -0.26 0.13 0.00 1.33 -1.00 0.00 0.00 179.01 179.21 1xky n VAL 97 N -3.38 0.97 -0.92 3.13 0.24 -0.79 -4.96 118.33 112.62 1xky n VAL 97 Ca -0.01 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1xky n VAL 97 Cb 0.32 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.31 0.61 3.71 7.63 0.00 -0.80 -4.70 105.19 112.95 1xky n GLY 98 Ca 0.20 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 2.72 -0.12 1.61 -7.23 -1.14 -4.98 120.40 109.26 1xky s VAL 99 Ca 0.00 0.23 0.22 0.00 -1.81 0.00 0.00 61.98 60.62 1xky s VAL 99 Cb 0.00 -2.56 -0.30 0.00 0.56 0.00 0.00 36.38 34.08 1xky s VAL 99 CO 0.00 -0.30 0.56 0.47 -0.31 0.00 0.00 175.10 175.52 1xky n ASP 100 N -3.92 0.14 -3.75 4.85 9.92 -0.20 -4.83 116.55 118.78 1xky n ASP 100 Ca 0.09 -0.03 -0.04 0.00 -0.53 0.00 0.00 54.79 54.27 1xky n ASP 100 Cb 0.53 1.78 -0.01 0.00 -0.64 0.00 0.00 41.12 42.78 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 -3.47 -1.60 0.08 2.24 0.00 -1.04 -4.19 121.76 113.77 1xky s ALA 101 Ca -0.06 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.09 1xky s ALA 101 Cb 0.14 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1xky s ALA 101 CO 0.89 -1.01 -0.17 0.14 0.00 0.00 0.00 175.76 175.61 1xky s VAL 102 N -3.37 1.35 -0.19 0.00 -7.23 -0.70 -1.47 120.40 108.78 1xky s VAL 102 Ca 0.11 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 58.88 1xky s VAL 102 Cb -0.02 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1xky s VAL 102 CO 0.02 -0.11 0.05 -0.32 -0.31 0.00 0.00 175.10 174.43 1xky s MET 103 N -1.67 3.88 -0.25 4.82 1.75 0.10 -0.48 119.30 127.45 1xky s MET 103 Ca 0.02 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.10 1xky s MET 103 Cb -0.10 -3.19 0.06 0.00 2.84 0.00 0.00 34.83 34.44 1xky s MET 103 CO 0.03 0.19 -0.11 -0.51 -0.65 0.00 0.00 175.02 173.96 1xky s LEU 104 N 0.59 3.29 0.38 4.11 1.43 -0.08 -2.45 118.68 125.94 1xky s LEU 104 Ca 0.02 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.59 1xky s LEU 104 Cb -0.13 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.46 1xky s LEU 104 CO 0.01 -0.18 0.91 0.54 0.23 0.00 0.00 176.35 177.87 1xky s VAL 105 N 1.13 4.39 -0.03 -1.59 0.11 -1.26 -0.98 120.40 122.17 1xky s VAL 105 Ca -0.08 1.50 -0.36 0.00 -2.93 0.00 0.00 61.98 60.12 1xky s VAL 105 Cb -0.19 -3.73 -0.14 0.00 -1.53 0.00 0.00 36.38 30.79 1xky s VAL 105 CO -0.06 -0.15 1.68 0.00 -3.33 0.00 0.00 175.10 173.25 1xky n ALA 106 N -0.20 0.48 -1.66 1.54 0.00 -0.55 -4.72 120.51 115.39 1xky n ALA 106 Ca 0.05 0.39 -0.51 0.00 0.00 0.00 0.00 53.44 53.36 1xky n ALA 106 Cb 0.53 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 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 4.83 1.63 -2.87 0.00 -0.02 -1.26 -4.82 135.00 132.49 1xky n PRO 107 Ca 0.21 0.59 -0.25 0.00 -2.02 0.00 0.00 63.50 62.03 1xky n PRO 107 Cb 0.24 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.23 3.38 0.00 6.00 1.13 -1.26 -4.43 117.35 124.40 1xky s TYR 108 Ca 0.89 0.49 0.00 0.00 -1.41 0.00 0.00 57.07 57.04 1xky s TYR 108 Cb -0.86 -2.29 0.00 0.00 -1.10 0.00 0.00 41.96 37.71 1xky s TYR 108 CO 0.51 -0.31 0.00 0.98 -2.51 0.00 0.00 175.55 174.22 1xky n TYR 109 N -2.15 0.00 1.30 -3.49 9.36 -1.26 -4.49 117.16 116.43 1xky n TYR 109 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.36 1xky n TYR 109 Cb 0.57 0.00 0.45 0.00 -0.63 0.00 0.00 39.34 39.73 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 1.90 0.89 -3.52 2.98 0.23 -1.26 -5.00 115.26 111.48 1xky n ASN 110 Ca 0.00 -0.83 -0.20 0.00 -0.53 0.00 0.00 54.58 53.02 1xky n ASN 110 Cb 0.00 0.07 0.02 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.69 -1.36 -1.35 -3.83 5.02 -1.26 -4.96 118.16 109.73 1xky n LYS 111 Ca 0.13 0.85 -0.30 0.00 -2.02 0.00 0.00 58.31 56.97 1xky n LYS 111 Cb 0.33 -4.12 0.11 0.00 -0.02 0.00 0.00 35.03 31.32 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 -4.78 1.85 0.78 1.97 0.04 -1.26 -5.06 135.00 128.53 1xky s PRO 112 Ca 0.20 0.85 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 1xky s PRO 112 Cb -0.07 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1xky s PRO 112 CO 0.84 -1.84 1.12 -1.54 0.04 0.00 0.00 177.00 175.62 1xky s SER 113 N -3.59 4.53 0.17 6.66 1.04 -1.26 -4.86 113.70 116.38 1xky s SER 113 Ca 0.62 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 57.51 1xky s SER 113 Cb -0.16 -1.13 0.11 0.00 0.10 0.00 0.00 66.02 64.93 1xky s SER 113 CO 0.56 -1.84 1.74 1.56 0.98 0.00 0.00 173.24 176.23 1xky h GLN 114 N -0.92 0.25 -0.43 4.02 1.08 -1.97 -0.51 115.11 116.64 1xky h GLN 114 Ca -0.45 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 56.64 1xky h GLN 114 Cb 1.32 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 1xky h GLN 114 CO 0.62 0.17 -0.13 1.49 -0.95 0.00 0.00 178.83 180.03 1xky h GLU 115 N 0.26 0.78 -0.42 1.46 4.57 -1.99 0.04 114.58 119.28 1xky h GLU 115 Ca 0.19 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1xky h GLU 115 Cb 0.21 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1xky h GLU 115 CO -0.23 0.87 0.24 0.78 -1.18 0.00 0.00 179.01 179.50 1xky h GLY 116 N 0.97 0.59 1.17 1.92 0.00 -1.85 -1.15 103.07 104.72 1xky h GLY 116 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 1xky h GLY 116 CO 0.04 0.15 0.08 -0.33 0.00 0.00 0.00 176.54 176.48 1xky h MET 117 N 0.49 1.01 0.01 4.80 2.86 -0.83 0.18 114.93 123.45 1xky h MET 117 Ca 0.17 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1xky h MET 117 Cb 0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1xky h MET 117 CO -0.08 0.95 -0.17 -0.92 1.06 0.00 0.00 176.91 177.74 1xky h TYR 118 N 0.95 -0.45 -0.52 -0.22 3.20 -0.64 0.13 116.97 119.42 1xky h TYR 118 Ca 0.19 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 1xky h TYR 118 Cb 0.44 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1xky h TYR 118 CO 0.03 -0.25 -0.04 1.96 -1.64 0.00 0.00 178.16 178.22 1xky h GLN 119 N -0.29 0.91 0.29 1.82 1.08 -1.06 -0.28 115.11 117.57 1xky h GLN 119 Ca 0.05 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1xky h GLN 119 Cb 0.36 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1xky h GLN 119 CO -0.16 0.92 -0.44 1.25 -0.95 0.00 0.00 178.83 179.45 1xky h HIS 120 N 0.83 -1.23 -0.51 2.96 -0.00 -0.75 -0.80 115.15 115.67 1xky h HIS 120 Ca 0.15 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1xky h HIS 120 Cb 0.54 0.50 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 1xky h HIS 120 CO 0.03 -0.57 -0.09 0.74 -0.00 0.00 0.00 177.93 178.04 1xky h PHE 121 N -0.79 1.02 -0.05 5.26 0.04 -0.88 -2.27 116.94 119.27 1xky h PHE 121 Ca -0.02 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.57 1xky h PHE 121 Cb 0.74 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1xky h PHE 121 CO -0.31 0.96 0.01 -0.22 -0.60 0.00 0.00 178.31 178.16 1xky h LYS 122 N 0.83 0.03 -0.45 1.51 3.64 -1.01 0.18 116.57 121.30 1xky h LYS 122 Ca 0.14 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1xky h LYS 122 Cb 0.62 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1xky h LYS 122 CO 0.04 0.02 0.24 0.00 -2.27 0.00 0.00 179.45 177.49 1xky h ALA 123 N 1.04 0.57 -0.24 5.00 0.00 -1.02 -0.82 119.26 123.78 1xky h ALA 123 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xky h ALA 123 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xky h ALA 123 CO -0.03 -0.09 -0.04 0.82 0.00 0.00 0.00 179.25 179.90 1xky h ILE 124 N 0.49 1.28 -0.62 0.00 2.04 -1.30 -2.79 117.51 116.61 1xky h ILE 124 Ca 0.19 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1xky h ILE 124 Cb 0.07 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1xky h ILE 124 CO -0.11 0.32 0.30 0.00 0.00 0.00 0.00 178.15 178.65 1xky h ALA 125 N 0.77 1.37 0.00 1.87 0.00 -0.72 -1.70 119.26 120.85 1xky h ALA 125 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xky h ALA 125 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xky h ALA 125 CO 0.02 0.50 0.00 1.05 0.00 0.00 0.00 179.25 180.82 1xky h GLU 126 N 0.87 0.00 -0.00 0.00 4.11 -1.11 -3.10 114.58 115.35 1xky h GLU 126 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1xky h GLU 126 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xky h GLU 126 CO -0.03 0.00 -0.06 -1.13 0.07 0.00 0.00 179.01 177.86 1xky n SER 127 N -2.39 0.08 -4.02 3.06 3.41 -0.64 -4.85 113.62 108.28 1xky n SER 127 Ca 0.03 0.26 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1xky n SER 127 Cb 0.33 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.80 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 -2.91 0.48 -0.75 6.66 -1.32 -1.17 -4.86 115.64 111.77 1xky s THR 128 Ca 0.17 -0.71 0.26 0.00 -1.21 0.00 0.00 61.69 60.19 1xky s THR 128 Cb 0.19 -0.49 0.26 0.00 -1.51 0.00 0.00 72.50 70.95 1xky s THR 128 CO 0.54 -0.17 1.78 -0.81 -2.21 0.00 0.00 174.62 173.75 1xky n PRO 129 N 2.10 0.19 -2.39 7.08 -0.04 -1.26 -4.91 135.00 135.77 1xky n PRO 129 Ca -0.18 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 1xky n PRO 129 Cb 0.56 -1.74 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 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 -4.16 3.79 0.51 1.53 1.43 -1.26 -4.99 118.68 115.53 1xky s LEU 130 Ca 0.10 2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 1xky s LEU 130 Cb 0.13 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 1xky s LEU 130 CO 0.54 -1.01 1.26 -2.65 0.23 0.00 0.00 176.35 174.71 1xky n PRO 131 N -1.16 1.62 -5.15 1.29 -0.02 -1.26 -4.86 135.00 125.46 1xky n PRO 131 Ca 0.10 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 1xky n PRO 131 Cb 0.52 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 1xky n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xky s VAL 132 N -1.30 1.93 -0.20 -1.45 1.01 0.19 -1.73 120.40 118.86 1xky s VAL 132 Ca 0.69 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1xky s VAL 132 Cb -0.45 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1xky s VAL 132 CO 0.52 0.53 -0.02 -0.32 0.00 0.00 0.00 175.10 175.81 1xky s MET 133 N 0.21 3.53 0.58 2.72 1.75 0.37 -1.68 119.30 126.79 1xky s MET 133 Ca -0.13 -0.56 -0.15 0.00 -1.25 0.00 0.00 55.69 53.60 1xky s MET 133 Cb -0.16 -3.02 -0.05 0.00 2.84 0.00 0.00 34.83 34.44 1xky s MET 133 CO 0.07 -0.02 1.03 -0.51 -0.65 0.00 0.00 175.02 174.93 1xky s LEU 134 N 1.06 3.47 -0.25 4.11 1.43 -0.10 -0.91 118.68 127.49 1xky s LEU 134 Ca 0.02 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1xky s LEU 134 Cb -0.14 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.65 1xky s LEU 134 CO 0.01 -0.96 0.10 -0.47 0.23 0.00 0.00 176.35 175.25 1xky s TYR 135 N -2.67 0.72 -0.26 0.29 5.04 -0.15 0.26 117.35 120.58 1xky s TYR 135 Ca 0.60 -0.94 -0.20 0.00 -2.44 0.00 0.00 57.07 54.10 1xky s TYR 135 Cb -0.13 -1.05 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1xky s TYR 135 CO 0.39 -0.73 0.60 1.21 -1.34 0.00 0.00 175.55 175.68 1xky s ASN 136 N 1.96 6.53 -0.45 4.32 2.47 -0.12 -1.49 114.94 128.16 1xky s ASN 136 Ca 0.06 0.63 0.07 0.00 0.42 0.00 0.00 52.86 54.04 1xky s ASN 136 Cb -0.16 -2.32 0.23 0.00 -1.45 0.00 0.00 41.25 37.54 1xky s ASN 136 CO -0.23 -0.36 0.69 0.55 -3.72 0.00 0.00 177.10 174.02 1xky n VAL 137 N 5.21 -0.36 0.20 -5.21 3.14 -1.26 -0.47 118.33 119.58 1xky n VAL 137 Ca -0.01 -2.50 0.11 0.00 -2.96 0.00 0.00 64.34 58.98 1xky n VAL 137 Cb 0.49 -0.07 0.67 0.00 -1.06 0.00 0.00 33.84 33.87 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 4.28 0.00 0.00 1.45 0.13 -1.82 0.15 132.00 136.18 1xky h PRO 138 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1xky h PRO 138 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xky h PRO 138 CO 0.34 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.52 1xky n GLY 139 N -1.55 -0.98 0.00 1.56 0.00 -1.26 -0.55 105.19 102.41 1xky n GLY 139 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xky n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xky n ARG 140 N -1.95 3.21 0.00 1.61 1.74 -0.30 -4.84 116.66 116.14 1xky n ARG 140 Ca 0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.18 1xky n ARG 140 Cb 0.13 -1.01 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.11 1.61 0.00 0.55 7.64 0.36 -4.75 113.62 116.92 1xky n SER 141 Ca -0.01 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1xky n SER 141 Cb 0.52 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -0.30 0.00 -1.84 0.44 5.41 0.28 -4.29 119.36 119.05 1xky n ILE 142 Ca 0.07 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.45 1xky n ILE 142 Cb 0.36 0.00 0.05 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 2.24 -0.08 1.39 -7.23 -1.26 -4.69 120.40 110.76 1xky s VAL 143 Ca 0.00 0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1xky s VAL 143 Cb 0.00 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 1xky s VAL 143 CO 0.00 -0.03 0.02 -1.58 -0.31 0.00 0.00 175.10 173.20 1xky s GLN 144 N -3.24 3.02 -0.51 4.82 2.00 -1.26 -3.71 119.66 120.78 1xky s GLN 144 Ca 0.78 -0.39 -0.28 0.00 -2.00 0.00 0.00 55.36 53.47 1xky s GLN 144 Cb -0.36 -2.83 0.01 0.00 0.80 0.00 0.00 33.01 30.63 1xky s GLN 144 CO 0.39 0.71 1.44 0.42 -0.50 0.00 0.00 175.29 177.75 1xky s ILE 145 N -0.92 3.80 0.78 -2.34 1.01 -1.26 -4.94 121.20 117.33 1xky s ILE 145 Ca 0.14 0.74 -0.13 0.00 0.00 0.00 0.00 60.65 61.39 1xky s ILE 145 Cb -0.11 -4.32 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1xky s ILE 145 CO 0.03 -1.00 1.17 -0.94 0.00 0.00 0.00 174.94 174.21 1xky s SER 146 N 4.44 3.97 0.21 3.58 1.04 -1.26 -4.73 113.70 120.95 1xky s SER 146 Ca 0.57 2.24 -0.11 0.00 0.48 0.00 0.00 55.95 59.13 1xky s SER 146 Cb -0.12 -2.57 0.28 0.00 0.10 0.00 0.00 66.02 63.70 1xky s SER 146 CO 0.28 -2.41 1.68 0.58 0.98 0.00 0.00 173.24 174.35 1xky h VAL 147 N -0.75 0.58 -0.73 5.02 2.07 -1.95 -0.65 116.25 119.84 1xky h VAL 147 Ca -0.46 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1xky h VAL 147 Cb 1.28 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1xky h VAL 147 CO 0.48 0.03 0.34 0.44 0.02 0.00 0.00 177.57 178.88 1xky h ASP 148 N 0.18 0.97 -0.63 0.57 3.32 -1.99 -0.09 116.42 118.74 1xky h ASP 148 Ca 0.31 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1xky h ASP 148 Cb 0.48 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1xky h ASP 148 CO -0.45 0.84 0.28 0.74 -1.72 0.00 0.00 179.24 178.93 1xky h THR 149 N 1.03 1.23 -0.54 0.35 2.02 -1.72 -1.19 112.91 114.09 1xky h THR 149 Ca 0.25 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1xky h THR 149 Cb 0.14 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1xky h THR 149 CO -0.03 0.27 0.27 0.58 0.37 0.00 0.00 175.52 176.98 1xky h VAL 150 N 0.88 1.19 -0.28 3.16 2.07 -0.77 -1.19 116.25 121.31 1xky h VAL 150 Ca 0.21 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xky h VAL 150 Cb 0.16 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1xky h VAL 150 CO -0.02 0.21 0.16 0.58 0.02 0.00 0.00 177.57 178.52 1xky h VAL 151 N 0.72 1.03 -0.46 2.57 2.07 -0.76 0.70 116.25 122.12 1xky h VAL 151 Ca 0.19 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1xky h VAL 151 Cb 0.09 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1xky h VAL 151 CO -0.03 0.06 0.15 0.03 0.02 0.00 0.00 177.57 177.80 1xky h ARG 152 N 0.34 0.30 -0.27 1.57 3.08 -1.05 -2.49 114.38 115.86 1xky h ARG 152 Ca 0.11 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1xky h ARG 152 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1xky h ARG 152 CO -0.05 0.20 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.76 1xky h LEU 153 N 0.31 0.50 -2.69 3.04 3.38 -0.78 -2.53 115.31 116.54 1xky h LEU 153 Ca 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xky h LEU 153 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xky h LEU 153 CO -0.24 0.73 -0.00 0.77 0.09 0.00 0.00 178.44 179.78 1xky h SER 154 N 0.45 0.00 1.19 -0.43 4.64 -0.40 -0.84 113.55 118.15 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 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1xky h SER 154 CO 0.05 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.68 1xky h GLU 155 N 0.00 0.00 -6.49 4.77 5.08 -1.34 -3.44 114.58 113.16 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 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xky h GLU 155 CO 0.00 0.00 0.48 0.42 -1.00 0.00 0.00 179.01 178.91 1xky s ILE 156 N -3.24 4.27 0.16 3.13 1.01 -0.32 -4.95 121.20 121.26 1xky s ILE 156 Ca 0.07 1.68 -0.16 0.00 0.00 0.00 0.00 60.65 62.24 1xky s ILE 156 Cb 0.10 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1xky s ILE 156 CO 0.52 0.16 1.74 -0.08 0.00 0.00 0.00 174.94 177.28 1xky h GLU 157 N 6.47 0.22 -0.17 2.79 4.81 -1.86 -2.13 114.58 124.71 1xky h GLU 157 Ca -0.42 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1xky h GLU 157 Cb 1.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1xky h GLU 157 CO 0.78 0.15 0.00 0.27 -0.73 0.00 0.00 179.01 179.47 1xky n ASN 158 N -5.06 1.84 -4.47 1.04 6.94 -1.26 -4.68 115.26 109.61 1xky n ASN 158 Ca 0.01 -1.72 -0.43 0.00 -0.02 0.00 0.00 54.58 52.42 1xky n ASN 158 Cb 0.14 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.79 4.41 -0.29 1.53 1.01 -0.80 0.57 121.20 125.84 1xky s ILE 159 Ca 0.33 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1xky s ILE 159 Cb 0.18 -4.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1xky s ILE 159 CO 0.27 -1.29 0.26 1.33 0.00 0.00 0.00 174.94 175.52 1xky n VAL 160 N 5.96 0.00 -3.78 2.92 0.24 -0.67 -4.60 118.33 118.39 1xky n VAL 160 Ca -0.03 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.34 61.82 1xky n VAL 160 Cb 0.46 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.45 -1.36 -0.04 2.33 0.00 -1.22 -1.71 121.76 118.31 1xky s ALA 161 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1xky s ALA 161 Cb 0.04 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1xky s ALA 161 CO 0.22 -1.00 0.10 -1.50 0.00 0.00 0.00 175.76 173.57 1xky s ILE 162 N -3.77 -0.03 -0.45 0.00 2.07 -0.62 -0.93 121.20 117.47 1xky s ILE 162 Ca 0.10 0.10 -0.22 0.00 -1.41 0.00 0.00 60.65 59.22 1xky s ILE 162 Cb -0.04 -0.16 0.03 0.00 0.13 0.00 0.00 42.46 42.42 1xky s ILE 162 CO 0.03 0.04 0.75 -0.75 -1.91 0.00 0.00 174.94 173.10 1xky s LYS 163 N 0.63 3.35 -0.58 3.50 2.20 0.14 -0.54 119.74 128.44 1xky s LYS 163 Ca -0.05 -0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.20 1xky s LYS 163 Cb -0.07 -3.96 0.14 0.00 -1.51 0.00 0.00 37.83 32.44 1xky s LYS 163 CO -0.03 -1.11 0.51 0.34 -0.36 0.00 0.00 175.35 174.70 1xky s ASP 164 N 2.16 6.15 -0.30 1.43 -1.08 0.26 -0.95 116.67 124.35 1xky s ASP 164 Ca 0.27 -2.01 0.07 0.00 -0.52 0.00 0.00 52.55 50.36 1xky s ASP 164 Cb -0.13 -2.15 0.62 0.00 -1.46 0.00 0.00 42.92 39.80 1xky s ASP 164 CO 0.21 -0.76 1.67 0.00 0.52 0.00 0.00 175.17 176.81 1xky n ALA 165 N 4.89 4.45 0.81 3.66 0.00 0.38 -1.26 120.51 133.44 1xky n ALA 165 Ca -0.07 -2.05 0.10 0.00 0.00 0.00 0.00 53.44 51.42 1xky n ALA 165 Cb 0.41 -1.25 0.48 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.24 -1.16 2.28 0.00 0.00 -1.24 -4.64 105.19 100.19 1xky n GLY 166 Ca 0.38 -0.08 -0.06 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 0.64 0.82 2.79 -0.02 0.00 -1.26 -4.98 105.19 103.18 1xky n GLY 167 Ca 0.07 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.66 3.64 0.33 1.61 -1.08 -1.26 -4.99 116.67 112.25 1xky s ASP 168 Ca 0.00 -1.27 0.26 0.00 -0.52 0.00 0.00 52.55 51.02 1xky s ASP 168 Cb 0.00 -0.88 1.01 0.00 -1.46 0.00 0.00 42.92 41.60 1xky s ASP 168 CO 0.00 -0.33 1.78 -0.37 0.52 0.00 0.00 175.17 176.77 1xky h VAL 169 N 6.55 0.00 0.13 1.11 -1.51 -1.97 -2.72 116.25 117.84 1xky h VAL 169 Ca -0.15 -0.38 -0.29 0.00 -1.23 0.00 0.00 66.70 64.64 1xky h VAL 169 Cb 1.06 1.24 0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1xky h VAL 169 CO 0.41 0.00 -1.25 -0.07 -1.23 0.00 0.00 177.57 175.43 1xky h LEU 170 N 0.00 0.74 -0.51 4.19 3.38 -1.98 -0.07 115.31 121.05 1xky h LEU 170 Ca 0.00 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.17 1xky h LEU 170 Cb 0.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xky h LEU 170 CO 0.00 1.53 -0.05 0.71 0.09 0.00 0.00 178.44 180.72 1xky h THR 171 N 0.21 1.27 -0.53 0.22 1.35 -1.97 -2.61 112.91 110.84 1xky h THR 171 Ca -0.18 -1.16 0.06 0.00 -0.55 0.00 0.00 66.41 64.58 1xky h THR 171 Cb 1.93 0.99 -0.05 0.00 -1.73 0.00 0.00 68.15 69.29 1xky h THR 171 CO 0.23 0.41 0.24 0.24 -0.25 0.00 0.00 175.52 176.39 1xky h MET 172 N 0.79 0.45 -0.56 4.72 2.86 -1.50 -1.62 114.93 120.07 1xky h MET 172 Ca 0.14 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 1xky h MET 172 Cb 0.59 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.04 1xky h MET 172 CO 0.04 0.30 -0.16 1.15 1.06 0.00 0.00 176.91 179.29 1xky h THR 173 N 0.46 0.41 -0.32 2.22 2.02 -0.82 0.44 112.91 117.32 1xky h THR 173 Ca 0.24 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.30 1xky h THR 173 Cb 0.20 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xky h THR 173 CO -0.20 0.00 -0.32 -0.08 0.37 0.00 0.00 175.52 175.29 1xky h GLU 174 N -0.02 0.69 -0.21 6.66 4.81 -1.06 0.91 114.58 126.35 1xky h GLU 174 Ca 0.27 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1xky h GLU 174 Cb 0.43 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1xky h GLU 174 CO -0.59 0.92 0.08 0.82 -0.73 0.00 0.00 179.01 179.51 1xky h ILE 175 N 0.58 1.17 -0.71 2.32 2.04 -0.83 0.13 117.51 122.21 1xky h ILE 175 Ca 0.07 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1xky h ILE 175 Cb 0.83 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1xky h ILE 175 CO 0.07 0.17 0.47 0.40 0.00 0.00 0.00 178.15 179.26 1xky h ILE 176 N 0.19 1.16 -0.38 -0.67 2.04 -0.62 -1.95 117.51 117.27 1xky h ILE 176 Ca 0.07 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1xky h ILE 176 Cb 0.19 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1xky h ILE 176 CO -0.00 0.17 0.14 -0.08 0.00 0.00 0.00 178.15 178.37 1xky h GLU 177 N 0.94 0.57 -0.01 2.37 4.81 -0.64 -3.31 114.58 119.31 1xky h GLU 177 Ca 0.27 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xky h GLU 177 Cb -0.07 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1xky h GLU 177 CO -0.07 0.57 -0.32 1.63 -0.73 0.00 0.00 179.01 180.08 1xky n LYS 178 N -4.65 0.93 -4.05 1.92 5.02 0.02 -4.89 118.16 112.45 1xky n LYS 178 Ca -0.01 -0.62 -0.24 0.00 -2.02 0.00 0.00 58.31 55.42 1xky n LYS 178 Cb 0.16 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.50 4.73 0.94 -0.18 -4.23 -0.76 -4.98 115.64 108.67 1xky s THR 179 Ca 0.23 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 1xky s THR 179 Cb 0.19 -3.49 0.16 0.00 1.34 0.00 0.00 72.50 70.70 1xky s THR 179 CO 0.54 -0.22 1.10 0.00 -0.54 0.00 0.00 174.62 175.51 1xky s ALA 180 N -1.90 1.19 0.57 3.99 0.00 -1.26 -4.91 121.76 119.45 1xky s ALA 180 Ca 0.33 0.28 0.27 0.00 0.00 0.00 0.00 51.96 52.83 1xky s ALA 180 Cb -0.09 -3.34 1.68 0.00 0.00 0.00 0.00 23.12 21.37 1xky s ALA 180 CO 0.26 -2.77 2.21 -0.44 0.00 0.00 0.00 175.76 175.01 1xky h ASP 181 N -1.86 0.00 -0.37 0.00 5.19 -1.98 -2.14 116.42 115.25 1xky h ASP 181 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1xky h ASP 181 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1xky h ASP 181 CO 0.47 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.69 1xky n ASP 182 N -4.00 2.01 -4.41 6.45 5.68 -1.26 -4.72 116.55 116.29 1xky n ASP 182 Ca -0.02 -1.99 -0.36 0.00 -0.50 0.00 0.00 54.79 51.92 1xky n ASP 182 Cb 0.13 -0.25 -0.13 0.00 -1.14 0.00 0.00 41.12 39.73 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 -1.50 3.04 -0.14 2.11 5.36 -0.81 -4.86 117.98 121.18 1xky s PHE 183 Ca 0.25 -0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 55.61 1xky s PHE 183 Cb 0.13 -2.15 -0.04 0.00 -0.34 0.00 0.00 43.02 40.62 1xky s PHE 183 CO 0.17 -0.36 0.08 0.00 -1.46 0.00 0.00 175.22 173.65 1xky s ALA 184 N 1.37 3.56 -0.21 11.12 0.00 -0.69 -4.83 121.76 132.08 1xky s ALA 184 Ca 0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1xky s ALA 184 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1xky s ALA 184 CO 0.01 0.43 0.06 0.08 0.00 0.00 0.00 175.76 176.35 1xky s VAL 185 N -0.43 4.59 -0.06 0.00 1.01 -1.26 -1.59 120.40 122.65 1xky s VAL 185 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1xky s VAL 185 Cb -0.12 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1xky s VAL 185 CO 0.02 0.41 -0.03 -0.31 0.00 0.00 0.00 175.10 175.19 1xky s TYR 186 N 0.85 3.05 0.40 5.22 2.02 0.29 0.01 117.35 129.19 1xky s TYR 186 Ca 0.03 0.10 -0.26 0.00 -0.37 0.00 0.00 57.07 56.58 1xky s TYR 186 Cb -0.14 -1.73 -0.09 0.00 -0.40 0.00 0.00 41.96 39.60 1xky s TYR 186 CO 0.02 0.41 1.26 0.45 -1.57 0.00 0.00 175.55 176.13 1xky s SER 187 N -1.00 6.42 0.00 2.29 0.15 -0.32 -0.57 113.70 120.68 1xky s SER 187 Ca 0.14 2.57 0.16 0.00 0.70 0.00 0.00 55.95 59.52 1xky s SER 187 Cb -0.11 -2.63 0.46 0.00 -1.71 0.00 0.00 66.02 62.02 1xky s SER 187 CO 0.04 -0.76 1.38 0.61 1.20 0.00 0.00 173.24 175.70 1xky n GLY 188 N 0.69 2.64 2.98 9.45 0.00 -0.39 -0.69 105.19 119.87 1xky n GLY 188 Ca 0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.00 3.12 0.25 1.61 1.01 -1.26 -4.70 116.67 115.70 1xky s ASP 189 Ca 0.35 -0.75 -0.03 0.00 0.71 0.00 0.00 52.55 52.83 1xky s ASP 189 Cb 0.18 -1.17 0.45 0.00 1.01 0.00 0.00 42.92 43.40 1xky s ASP 189 CO 0.24 -0.13 1.77 0.44 0.21 0.00 0.00 175.17 177.70 1xky h ASP 190 N 8.02 0.52 -0.25 0.27 3.32 -1.91 -0.99 116.42 125.39 1xky h ASP 190 Ca -0.30 0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1xky h ASP 190 Cb 1.11 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1xky h ASP 190 CO 0.48 0.25 0.17 1.23 -1.72 0.00 0.00 179.24 179.65 1xky h GLY 191 N 0.63 0.24 -0.73 2.75 0.00 -1.93 -2.27 103.07 101.77 1xky h GLY 191 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1xky h GLY 191 CO -0.32 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.33 1xky n LEU 192 N -4.50 1.64 -0.16 3.11 4.77 -0.38 -4.47 117.00 117.01 1xky n LEU 192 Ca 0.02 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.25 1xky n LEU 192 Cb 0.17 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1xky n LEU 192 CO 0.35 0.32 0.56 0.74 -1.33 0.00 0.00 177.39 178.03 1xky h THR 193 N 2.30 0.09 0.57 -5.08 2.02 -1.34 0.18 112.91 111.64 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 0.50 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1xky h THR 193 CO 0.00 0.00 -0.27 0.25 0.37 0.00 0.00 175.52 175.87 1xky h LEU 194 N -0.30 -0.64 -1.79 2.58 5.85 -1.83 -0.07 115.31 119.10 1xky h LEU 194 Ca 0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xky h LEU 194 Cb 0.58 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1xky h LEU 194 CO -0.62 -0.37 0.07 1.55 -0.34 0.00 0.00 178.44 178.74 1xky h PRO 195 N -0.89 0.21 -0.37 5.25 0.13 -1.83 -0.53 132.00 133.96 1xky h PRO 195 Ca -0.08 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 1xky h PRO 195 Cb 0.63 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1xky h PRO 195 CO 0.13 0.17 -0.18 0.00 -0.23 0.00 0.00 178.00 177.89 1xky h ALA 196 N 1.87 0.52 -0.21 -0.56 0.00 -0.42 -2.81 119.26 117.66 1xky h ALA 196 Ca 0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1xky h ALA 196 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xky h ALA 196 CO -0.01 0.46 -0.23 0.52 0.00 0.00 0.00 179.25 179.99 1xky h MET 197 N 0.57 0.38 -0.67 0.00 2.86 -0.52 -0.38 114.93 117.17 1xky h MET 197 Ca 0.08 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1xky h MET 197 Cb 0.72 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1xky h MET 197 CO 0.05 0.59 0.44 0.00 1.06 0.00 0.00 176.91 179.06 1xky h ALA 198 N 1.42 1.71 -0.08 6.32 0.00 -0.93 -2.23 119.26 125.46 1xky h ALA 198 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xky h ALA 198 Cb 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xky h ALA 198 CO 0.04 0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.82 1xky n VAL 199 N -4.47 0.09 0.00 0.00 0.24 -0.92 -4.92 118.33 108.34 1xky n VAL 199 Ca 0.09 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1xky n VAL 199 Cb 0.19 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.22 1.14 3.77 7.63 0.00 -0.84 -4.82 105.19 113.29 1xky n GLY 200 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.89 3.15 0.29 4.61 0.00 -0.20 -4.78 121.76 122.94 1xky s ALA 201 Ca 0.00 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.23 1xky s ALA 201 Cb 0.00 -3.47 0.41 0.00 0.00 0.00 0.00 23.12 20.06 1xky s ALA 201 CO 0.00 -0.83 1.64 -0.22 0.00 0.00 0.00 175.76 176.35 1xky h LYS 202 N 2.43 0.02 0.00 0.00 3.64 -0.75 -3.40 116.57 118.51 1xky h LYS 202 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 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 0.62 0.59 0.00 0.41 -2.27 0.00 0.00 179.45 178.79 1xky n GLY 203 N 0.13 -0.56 3.16 5.01 0.00 -1.25 -4.60 105.19 107.07 1xky n GLY 203 Ca -0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.00 1.31 -0.38 -0.61 1.10 -0.19 -1.17 121.20 118.26 1xky s ILE 204 Ca 0.00 -0.77 -0.15 0.00 -0.51 0.00 0.00 60.65 59.22 1xky s ILE 204 Cb 0.00 -1.10 0.00 0.00 0.15 0.00 0.00 42.46 41.51 1xky s ILE 204 CO 0.00 0.32 0.32 -0.69 -2.11 0.00 0.00 174.94 172.77 1xky s VAL 205 N -0.47 5.22 0.08 4.00 1.01 0.13 -1.29 120.40 129.08 1xky s VAL 205 Ca 0.06 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1xky s VAL 205 Cb -0.07 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1xky s VAL 205 CO -0.00 -0.19 -0.14 -0.55 0.00 0.00 0.00 175.10 174.22 1xky s SER 206 N 1.73 4.12 -0.23 3.32 0.15 0.13 -4.51 113.70 118.40 1xky s SER 206 Ca 0.08 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.34 1xky s SER 206 Cb -0.18 -0.72 -0.16 0.00 -1.71 0.00 0.00 66.02 63.25 1xky s SER 206 CO 0.11 0.21 -0.18 0.52 1.20 0.00 0.00 173.24 175.09 1xky n VAL 207 N 1.03 1.34 0.29 4.45 0.31 -1.26 -0.84 118.33 123.64 1xky n VAL 207 Ca -0.15 -0.54 0.18 0.00 -0.01 0.00 0.00 64.34 63.82 1xky n VAL 207 Cb 0.52 -1.26 0.78 0.00 -0.91 0.00 0.00 33.84 32.97 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 0.08 1.01 0.00 3.52 0.00 -1.96 -2.30 119.26 119.61 1xky h ALA 208 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xky h ALA 208 Cb 1.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xky h ALA 208 CO -0.07 0.01 0.14 0.66 0.00 0.00 0.00 179.25 179.99 1xky h SER 209 N 0.00 0.00 -0.13 0.00 4.64 -1.85 0.12 113.55 116.33 1xky h SER 209 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1xky h SER 209 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1xky h SER 209 CO 0.00 0.00 0.09 0.45 -0.87 0.00 0.00 176.83 176.50 1xky h HIS 210 N 0.00 0.00 0.00 4.77 3.86 -1.74 -3.02 115.15 119.02 1xky h HIS 210 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xky h HIS 210 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1xky h HIS 210 CO 0.00 0.00 -0.80 1.33 0.86 0.00 0.00 177.93 179.32 1xky n VAL 211 N -4.49 0.00 -2.46 2.45 0.24 -0.14 -4.83 118.33 109.10 1xky n VAL 211 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1xky n VAL 211 Cb 0.22 -0.20 0.03 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.45 1.85 -0.22 1.34 -5.35 -0.22 -4.89 119.36 110.42 1xky n ILE 212 Ca 0.00 -3.63 -0.02 0.00 -0.27 0.00 0.00 62.75 58.83 1xky n ILE 212 Cb 0.20 0.04 0.09 0.00 -1.74 0.00 0.00 39.64 38.23 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 2.47 0.92 0.93 3.28 0.00 -1.69 -1.12 103.07 107.86 1xky h GLY 213 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1xky h GLY 213 CO 0.50 0.11 0.06 3.43 0.00 0.00 0.00 176.54 180.64 1xky h ASN 214 N 0.60 0.62 -0.87 0.19 2.35 -1.88 -0.80 115.58 115.80 1xky h ASN 214 Ca 0.29 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1xky h ASN 214 Cb 0.23 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1xky h ASN 214 CO -0.20 0.73 0.57 -0.33 -1.65 0.00 0.00 177.43 176.54 1xky h GLU 215 N 0.50 1.10 -0.43 0.81 3.07 -1.90 -0.22 114.58 117.51 1xky h GLU 215 Ca 0.12 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 1xky h GLU 215 Cb 0.37 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1xky h GLU 215 CO 0.01 0.73 0.14 0.52 -1.40 0.00 0.00 179.01 179.00 1xky h MET 216 N 1.13 0.67 -0.50 2.33 2.86 -0.86 -0.66 114.93 119.90 1xky h MET 216 Ca 0.33 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1xky h MET 216 Cb -0.07 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 1xky h MET 216 CO -0.09 0.65 0.25 0.37 1.06 0.00 0.00 176.91 179.16 1xky h GLN 217 N 0.56 0.48 -0.63 1.72 4.15 -0.82 -0.99 115.11 119.57 1xky h GLN 217 Ca 0.14 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1xky h GLN 217 Cb 0.26 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1xky h GLN 217 CO -0.00 0.32 0.40 1.49 -1.93 0.00 0.00 178.83 179.11 1xky h GLU 218 N 0.49 0.85 -0.47 1.69 4.81 -0.81 -1.34 114.58 119.80 1xky h GLU 218 Ca 0.22 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1xky h GLU 218 Cb 0.14 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1xky h GLU 218 CO -0.16 0.58 0.24 1.98 -0.73 0.00 0.00 179.01 180.92 1xky h MET 219 N 0.86 0.66 -0.49 1.92 4.05 -0.63 -0.64 114.93 120.67 1xky h MET 219 Ca 0.23 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.44 1xky h MET 219 Cb -0.07 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 1xky h MET 219 CO -0.05 0.54 -0.18 0.82 0.23 0.00 0.00 176.91 178.27 1xky h ILE 220 N 0.61 1.27 -0.75 1.77 2.04 -1.02 -0.95 117.51 120.48 1xky h ILE 220 Ca 0.16 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1xky h ILE 220 Cb 0.08 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1xky h ILE 220 CO -0.02 0.46 0.31 0.00 0.00 0.00 0.00 178.15 178.90 1xky h ALA 221 N 0.94 0.98 0.47 1.87 0.00 -1.10 -0.90 119.26 121.51 1xky h ALA 221 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xky h ALA 221 Cb 0.75 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xky h ALA 221 CO 0.06 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.67 1xky h ALA 222 N 1.16 -0.63 -0.57 0.00 0.00 -0.83 -2.16 119.26 116.23 1xky h ALA 222 Ca 0.25 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1xky h ALA 222 Cb 0.19 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1xky h ALA 222 CO -0.02 -0.83 0.24 0.35 0.00 0.00 0.00 179.25 178.99 1xky h PHE 223 N -0.68 0.43 0.00 0.00 3.57 -1.09 -0.17 116.94 119.01 1xky h PHE 223 Ca -0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1xky h PHE 223 Cb 0.51 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xky h PHE 223 CO -0.03 0.15 -0.16 1.96 -2.23 0.00 0.00 178.31 178.00 1xky h GLN 224 N 0.45 0.00 -0.29 1.11 4.20 -1.13 -1.46 115.11 117.99 1xky h GLN 224 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1xky h GLN 224 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1xky h GLN 224 CO -0.25 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.07 1xky n ALA 225 N -2.29 2.47 -1.02 3.87 0.00 -0.77 -4.93 120.51 117.85 1xky n ALA 225 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 1xky n ALA 225 Cb 0.29 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 1xky n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xky n GLY 226 N 1.12 0.35 3.37 0.00 0.00 -0.55 -4.95 105.19 104.53 1xky n GLY 226 Ca 0.14 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.42 3.29 0.05 1.61 1.02 -0.15 -4.83 120.64 120.21 1xky n GLU 227 Ca -0.01 -3.49 -0.07 0.00 -0.02 0.00 0.00 57.16 53.57 1xky n GLU 227 Cb 0.22 -3.22 0.09 0.00 -0.02 0.00 0.00 31.44 28.52 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 7.02 0.48 0.11 -0.32 0.04 -1.90 -2.43 116.94 119.93 1xky h PHE 228 Ca 0.40 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1xky h PHE 228 Cb 0.82 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1xky h PHE 228 CO 1.27 0.87 -0.05 0.87 -0.60 0.00 0.00 178.31 180.67 1xky h LYS 229 N 0.28 -0.14 -0.32 1.51 6.56 -1.97 -0.91 116.57 121.58 1xky h LYS 229 Ca -0.00 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1xky h LYS 229 Cb 1.11 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.77 1xky h LYS 229 CO 0.10 -0.09 0.16 -0.22 -2.06 0.00 0.00 179.45 177.34 1xky h LYS 230 N -0.15 0.32 -0.61 3.15 3.64 -1.94 -2.65 116.57 118.34 1xky h LYS 230 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1xky h LYS 230 Cb 0.12 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1xky h LYS 230 CO 0.02 0.21 0.40 0.00 -2.27 0.00 0.00 179.45 177.82 1xky h ALA 231 N 1.17 0.77 -0.58 5.00 0.00 -1.37 -2.97 119.26 121.27 1xky h ALA 231 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xky h ALA 231 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1xky h ALA 231 CO -0.10 0.20 0.31 1.96 0.00 0.00 0.00 179.25 181.63 1xky h GLN 232 N 0.82 0.80 -0.52 0.00 4.20 -0.83 0.29 115.11 119.88 1xky h GLN 232 Ca 0.22 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1xky h GLN 232 Cb -0.09 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1xky h GLN 232 CO -0.05 0.60 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.38 1xky h LYS 233 N 0.81 0.99 -0.03 1.46 3.64 -1.35 -1.69 116.57 120.39 1xky h LYS 233 Ca 0.21 -0.37 -0.15 0.00 -1.27 0.00 0.00 60.65 59.06 1xky h LYS 233 Cb 0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1xky h LYS 233 CO -0.03 1.05 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.46 1xky h LEU 234 N 0.85 0.17 -0.69 5.20 3.38 -1.27 -3.01 115.31 119.96 1xky h LEU 234 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xky h LEU 234 Cb 0.68 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1xky h LEU 234 CO 0.05 0.79 0.38 -0.74 0.09 0.00 0.00 178.44 179.00 1xky h HIS 235 N 0.10 0.94 -0.84 1.13 2.76 -0.27 -1.16 115.15 117.82 1xky h HIS 235 Ca -0.01 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1xky h HIS 235 Cb 1.19 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.81 1xky h HIS 235 CO 0.02 0.66 0.50 1.96 -1.30 0.00 0.00 177.93 179.77 1xky h GLN 236 N 0.94 1.15 -0.21 5.26 4.20 -1.21 -0.77 115.11 124.47 1xky h GLN 236 Ca 0.24 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1xky h GLN 236 Cb 0.03 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1xky h GLN 236 CO -0.04 0.82 0.13 1.25 -0.67 0.00 0.00 178.83 180.31 1xky h LEU 237 N 1.16 0.25 -0.84 1.46 5.85 -1.38 -2.20 115.31 119.61 1xky h LEU 237 Ca 0.30 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1xky h LEU 237 Cb -0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1xky h LEU 237 CO -0.05 0.23 0.52 0.25 -0.34 0.00 0.00 178.44 179.04 1xky h LEU 238 N 0.26 1.00 -0.21 2.25 5.85 -0.76 0.07 115.31 123.77 1xky h LEU 238 Ca 0.08 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1xky h LEU 238 Cb 0.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1xky h LEU 238 CO -0.01 0.76 0.00 0.58 -0.34 0.00 0.00 178.44 179.43 1xky h VAL 239 N 1.15 1.25 -0.35 1.05 2.07 -1.12 0.23 116.25 120.55 1xky h VAL 239 Ca 0.30 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1xky h VAL 239 Cb -0.06 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1xky h VAL 239 CO -0.06 0.27 0.17 0.03 0.02 0.00 0.00 177.57 178.00 1xky h ARG 240 N 0.14 0.34 -0.30 1.57 3.08 -1.05 -1.18 114.38 116.97 1xky h ARG 240 Ca 0.06 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1xky h ARG 240 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1xky h ARG 240 CO 0.01 0.23 -0.13 0.28 -1.07 0.00 0.00 179.97 179.28 1xky h VAL 241 N 0.35 1.29 -0.35 2.04 2.07 -0.95 -2.77 116.25 117.93 1xky h VAL 241 Ca 0.15 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1xky h VAL 241 Cb 0.06 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1xky h VAL 241 CO -0.10 0.39 0.20 0.74 0.02 0.00 0.00 177.57 178.82 1xky h THR 242 N 0.38 1.03 -0.99 2.57 2.02 -0.78 -2.43 112.91 114.71 1xky h THR 242 Ca 0.07 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1xky h THR 242 Cb 0.65 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 1xky h THR 242 CO 0.04 0.07 0.64 0.44 0.37 0.00 0.00 175.52 177.09 1xky h ASP 243 N 0.41 1.04 0.54 4.18 3.32 -1.19 -1.48 116.42 123.24 1xky h ASP 243 Ca 0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1xky h ASP 243 Cb 0.01 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1xky h ASP 243 CO -0.07 0.68 -0.13 0.77 -1.72 0.00 0.00 179.24 178.77 1xky h SER 244 N 1.19 0.00 0.56 6.45 4.64 -1.15 -2.39 113.55 122.84 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 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1xky h SER 244 CO -0.16 0.13 -0.06 0.18 -0.87 0.00 0.00 176.83 176.05 1xky n LEU 245 N -3.50 0.18 -0.14 5.97 4.32 -0.57 -3.80 117.00 119.46 1xky n LEU 245 Ca -0.01 0.21 0.06 0.00 -0.02 0.00 0.00 56.01 56.24 1xky n LEU 245 Cb 0.28 -0.28 0.08 0.00 -1.62 0.00 0.00 43.42 41.89 1xky n LEU 245 CO 0.30 0.04 0.48 0.49 -1.22 0.00 0.00 177.39 177.47 1xky n PHE 246 N -1.22 0.00 0.22 -1.77 3.72 -0.91 -4.51 117.46 112.99 1xky n PHE 246 Ca 0.13 -0.66 0.11 0.00 -0.05 0.00 0.00 57.45 56.98 1xky n PHE 246 Cb 0.27 -0.11 0.32 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 0.00 -6.00 -1.08 2.86 -1.64 -3.43 114.93 105.63 1xky h MET 247 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 1xky h MET 247 Cb 1.00 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.53 1xky h MET 247 CO 0.00 0.15 -0.69 0.00 1.06 0.00 0.00 176.91 177.43 1xky s ALA 248 N -3.36 2.95 0.11 6.32 0.00 -1.26 -5.10 121.76 121.43 1xky s ALA 248 Ca 0.04 -2.03 -0.33 0.00 0.00 0.00 0.00 51.96 49.64 1xky s ALA 248 Cb 0.08 -0.14 -0.12 0.00 0.00 0.00 0.00 23.12 22.94 1xky s ALA 248 CO 0.65 0.12 1.73 -2.30 0.00 0.00 0.00 175.76 175.96 1xky n PRO 249 N -0.78 2.45 -2.24 0.00 -0.02 -1.26 -4.78 135.00 128.37 1xky n PRO 249 Ca -0.05 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 1xky n PRO 249 Cb 0.63 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.06 6.92 -0.19 2.55 0.15 -1.26 -2.19 113.70 121.75 1xky s SER 250 Ca 0.82 2.41 0.15 0.00 0.70 0.00 0.00 55.95 60.03 1xky s SER 250 Cb -0.59 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 61.55 1xky s SER 250 CO 0.39 -0.49 1.34 -0.81 1.20 0.00 0.00 173.24 174.87 1xky n PRO 251 N 2.34 2.17 -0.17 5.44 -0.04 -1.26 -4.91 135.00 138.57 1xky n PRO 251 Ca 0.05 -2.87 -0.09 0.00 -0.04 0.00 0.00 63.50 60.55 1xky n PRO 251 Cb 0.43 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 1.09 1.25 -0.44 0.52 2.02 -1.76 -1.43 112.91 114.17 1xky h THR 252 Ca 0.04 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1xky h THR 252 Cb 1.34 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1xky h THR 252 CO 0.18 0.34 0.22 -0.65 0.37 0.00 0.00 175.52 175.97 1xky h PRO 253 N 0.67 0.62 -0.39 6.66 0.11 -1.80 -1.74 132.00 136.14 1xky h PRO 253 Ca 0.14 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 1xky h PRO 253 Cb 0.42 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1xky h PRO 253 CO 0.01 0.53 -0.12 -0.24 -0.21 0.00 0.00 178.00 177.97 1xky h VAL 254 N 0.56 1.25 -0.66 3.15 3.04 -1.69 0.30 116.25 122.20 1xky h VAL 254 Ca 0.15 -1.14 -0.01 0.00 -1.01 0.00 0.00 66.70 64.69 1xky h VAL 254 Cb 0.11 1.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.45 1xky h VAL 254 CO -0.02 0.38 0.36 0.11 -1.01 0.00 0.00 177.57 177.40 1xky h LYS 255 N 0.62 0.93 -0.50 4.17 1.57 -1.21 -0.35 116.57 121.81 1xky h LYS 255 Ca 0.11 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1xky h LYS 255 Cb 0.57 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1xky h LYS 255 CO 0.04 0.70 0.09 1.15 -0.57 0.00 0.00 179.45 180.86 1xky h THR 256 N 0.91 1.25 -0.80 -0.16 2.02 -0.84 -2.34 112.91 112.95 1xky h THR 256 Ca 0.23 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1xky h THR 256 Cb 0.04 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1xky h THR 256 CO -0.04 0.32 0.42 0.00 0.37 0.00 0.00 175.52 176.60 1xky h ALA 257 N 0.98 1.02 -0.66 6.16 0.00 -0.24 -2.09 119.26 124.42 1xky h ALA 257 Ca 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xky h ALA 257 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xky h ALA 257 CO 0.01 0.55 0.44 -0.07 0.00 0.00 0.00 179.25 180.18 1xky h LEU 258 N 1.11 0.76 -0.86 0.00 3.38 -0.91 -1.95 115.31 116.85 1xky h LEU 258 Ca 0.28 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1xky h LEU 258 Cb 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1xky h LEU 258 CO -0.04 0.55 0.55 -0.61 0.09 0.00 0.00 178.44 178.98 1xky h GLN 259 N 0.90 1.03 -0.69 1.13 -0.00 -1.13 0.18 115.11 116.54 1xky h GLN 259 Ca 0.24 -0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.85 1xky h GLN 259 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 27.48 27.11 1xky h GLN 259 CO -0.05 0.68 0.46 0.52 0.00 0.00 0.00 178.83 180.44 1xky h MET 260 N 1.07 0.88 -0.65 1.69 2.86 -0.67 -2.11 114.93 117.99 1xky h MET 260 Ca 0.35 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1xky h MET 260 Cb 0.02 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1xky h MET 260 CO -0.12 0.58 0.00 1.33 1.06 0.00 0.00 176.91 179.76 1xky n VAL 261 N -4.44 1.68 -0.51 -2.22 0.24 -0.93 -4.91 118.33 107.25 1xky n VAL 261 Ca 0.08 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1xky n VAL 261 Cb 0.06 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.74 0.70 2.87 7.63 0.00 -0.79 -5.03 105.19 111.31 1xky n GLY 262 Ca 0.20 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1xky n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xky s LEU 263 N 0.00 3.74 -0.08 0.99 0.20 0.61 -4.99 118.68 119.15 1xky s LEU 263 Ca 0.00 -2.83 -0.30 0.00 0.69 0.00 0.00 54.13 51.69 1xky s LEU 263 Cb 0.00 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.32 1xky s LEU 263 CO 0.00 -0.25 1.11 -0.62 -0.29 0.00 0.00 176.35 176.30 1xky s ASP 264 N -0.01 7.14 -0.11 3.68 -1.08 -1.26 -2.63 116.67 122.41 1xky s ASP 264 Ca 0.17 1.68 0.16 0.00 -0.52 0.00 0.00 52.55 54.04 1xky s ASP 264 Cb -0.25 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 38.90 1xky s ASP 264 CO -0.00 -0.52 1.13 1.33 0.52 0.00 0.00 175.17 177.62 1xky n VAL 265 N 4.58 1.57 -4.45 1.11 0.24 -1.26 -4.93 118.33 115.19 1xky n VAL 265 Ca 0.10 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.49 1xky n VAL 265 Cb 0.47 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.18 -0.36 0.00 7.63 0.00 -1.22 -1.42 105.19 108.63 1xky n GLY 266 Ca 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.32 0.02 -4.43 1.61 2.88 -1.26 -4.77 113.62 106.35 1xky n SER 267 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 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 2.29 1.70 0.00 2.46 -7.23 -1.26 -4.57 120.40 113.79 1xky s VAL 268 Ca 0.00 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 57.95 1xky s VAL 268 Cb 0.00 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1xky s VAL 268 CO 0.00 -0.33 0.27 -0.13 -0.31 0.00 0.00 175.10 174.61 1xky s ARG 269 N -3.71 3.60 0.37 4.82 0.52 -1.26 -4.85 118.95 118.44 1xky s ARG 269 Ca 0.29 -0.04 -0.27 0.00 -0.52 0.00 0.00 55.73 55.19 1xky s ARG 269 Cb 0.03 -3.09 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 1xky s ARG 269 CO 0.12 0.65 1.20 1.28 0.02 0.00 0.00 175.30 178.57 1xky n LEU 270 N 1.20 3.29 -0.13 2.53 4.77 -1.26 -1.18 117.00 126.23 1xky n LEU 270 Ca -0.12 1.14 0.04 0.00 -0.03 0.00 0.00 56.01 57.04 1xky n LEU 270 Cb 0.53 -1.44 0.19 0.00 -2.33 0.00 0.00 43.42 40.37 1xky n LEU 270 CO 0.40 -0.83 0.63 -0.81 -1.33 0.00 0.00 177.39 175.45 1xky n PRO 271 N 0.35 1.16 -2.96 3.23 -0.04 -1.26 -4.94 135.00 130.54 1xky n PRO 271 Ca 0.07 -0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 1xky n PRO 271 Cb 0.37 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.19 3.94 0.10 1.53 1.43 -0.32 -5.10 118.68 119.07 1xky s LEU 272 Ca 0.13 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.57 1xky s LEU 272 Cb 0.06 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1xky s LEU 272 CO 0.10 -0.31 -0.14 -0.76 0.23 0.00 0.00 176.35 175.46 1xky s LEU 273 N -3.37 2.35 0.66 1.79 1.43 -1.26 -4.46 118.68 115.82 1xky s LEU 273 Ca 0.54 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 1xky s LEU 273 Cb -0.10 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1xky s LEU 273 CO 0.23 -0.12 1.02 -2.65 0.23 0.00 0.00 176.35 175.06 1xky n PRO 274 N 0.84 0.78 -1.72 1.29 -0.02 -1.26 -4.93 135.00 129.97 1xky n PRO 274 Ca -0.18 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 1xky n PRO 274 Cb 0.56 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1xky n PRO 274 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xky n LEU 275 N -1.34 4.90 -4.75 2.45 4.32 -1.26 -5.02 117.00 116.30 1xky n LEU 275 Ca 0.14 1.02 -0.30 0.00 -0.02 0.00 0.00 56.01 56.85 1xky n LEU 275 Cb 0.48 -1.54 0.12 0.00 -1.62 0.00 0.00 43.42 40.86 1xky n LEU 275 CO 0.48 -0.66 0.68 0.42 -1.22 0.00 0.00 177.39 177.10 1xky s THR 276 N -1.27 2.89 0.33 -5.08 -4.23 -1.26 -4.82 115.64 102.20 1xky s THR 276 Ca 0.68 0.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 1xky s THR 276 Cb -0.45 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 70.81 1xky s THR 276 CO 0.52 -0.38 1.98 -0.08 -0.54 0.00 0.00 174.62 176.13 1xky h GLU 277 N -1.35 0.93 0.01 3.99 4.57 -1.99 0.62 114.58 121.36 1xky h GLU 277 Ca -0.48 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1xky h GLU 277 Cb 1.27 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1xky h GLU 277 CO 0.55 0.61 -0.09 0.93 -1.18 0.00 0.00 179.01 179.84 1xky h GLU 278 N 0.96 -0.15 -0.73 1.92 3.07 -2.00 -1.60 114.58 116.04 1xky h GLU 278 Ca 0.28 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 1xky h GLU 278 Cb -0.05 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1xky h GLU 278 CO -0.07 -0.10 0.39 0.93 -1.40 0.00 0.00 179.01 178.76 1xky h GLU 279 N -0.16 1.03 -0.28 2.33 5.08 -1.78 -2.36 114.58 118.44 1xky h GLU 279 Ca 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xky h GLU 279 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xky h GLU 279 CO -0.08 0.78 0.13 -0.09 -1.00 0.00 0.00 179.01 178.75 1xky h ARG 280 N 1.01 0.40 -0.51 2.33 2.43 -0.66 -1.44 114.38 117.95 1xky h ARG 280 Ca 0.26 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1xky h ARG 280 Cb 0.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1xky h ARG 280 CO -0.04 0.39 -0.08 0.28 -1.51 0.00 0.00 179.97 179.01 1xky h VAL 281 N 0.32 1.26 -0.36 0.20 2.07 -1.25 0.25 116.25 118.74 1xky h VAL 281 Ca 0.10 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1xky h VAL 281 Cb 0.12 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1xky h VAL 281 CO -0.01 0.42 0.20 0.74 0.02 0.00 0.00 177.57 178.94 1xky h THR 282 N 0.84 1.02 -0.31 2.57 2.02 -1.29 -2.15 112.91 115.60 1xky h THR 282 Ca 0.14 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xky h THR 282 Cb 0.61 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1xky h THR 282 CO 0.04 0.07 0.12 0.25 0.37 0.00 0.00 175.52 176.37 1xky h LEU 283 N 0.41 0.44 -0.99 2.58 5.85 -0.87 -2.98 115.31 119.76 1xky h LEU 283 Ca 0.15 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1xky h LEU 283 Cb 0.02 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 1xky h LEU 283 CO -0.08 0.50 0.62 -0.61 -0.34 0.00 0.00 178.44 178.54 1xky h GLN 284 N 0.36 0.98 -0.83 1.25 4.15 -0.35 -1.18 115.11 119.49 1xky h GLN 284 Ca 0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1xky h GLN 284 Cb 0.21 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1xky h GLN 284 CO -0.01 0.65 0.50 0.77 -1.93 0.00 0.00 178.83 178.81 1xky h SER 285 N 1.01 1.00 -0.27 -0.69 0.02 -1.23 0.85 113.55 114.23 1xky h SER 285 Ca 0.48 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.27 1xky h SER 285 Cb 0.42 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1xky h SER 285 CO -0.25 0.77 -0.20 0.58 -1.14 0.00 0.00 176.83 176.59 1xky h VAL 286 N 1.14 1.30 -0.73 2.27 2.07 -1.36 -2.65 116.25 118.29 1xky h VAL 286 Ca 0.30 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1xky h VAL 286 Cb -0.04 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1xky h VAL 286 CO -0.06 0.42 0.45 0.24 0.02 0.00 0.00 177.57 178.65 1xky h MET 287 N 0.35 0.84 0.00 1.57 2.07 -0.92 -1.47 114.93 117.36 1xky h MET 287 Ca 0.05 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.63 1xky h MET 287 Cb 0.74 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 30.28 1xky h MET 287 CO 0.05 0.55 -0.03 1.96 1.07 0.00 0.00 176.91 180.51 1xky h GLN 288 N 0.86 0.00 0.00 1.72 4.20 -0.74 -2.40 115.11 118.75 1xky h GLN 288 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1xky h GLN 288 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1xky h GLN 288 CO -0.13 0.03 0.00 -1.13 -0.67 0.00 0.00 178.83 176.93 1xky n SER 289 N -4.26 0.44 -4.66 1.46 3.41 -0.56 -4.76 113.62 104.70 1xky n SER 289 Ca -0.03 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1xky n SER 289 Cb 0.12 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 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 -3.16 3.46 0.20 -1.33 1.01 -0.91 -4.92 121.20 115.55 1xky s ILE 290 Ca 0.07 0.61 -0.33 0.00 0.00 0.00 0.00 60.65 61.00 1xky s ILE 290 Cb 0.11 -3.39 -0.13 0.00 0.01 0.00 0.00 42.46 39.06 1xky s ILE 290 CO 0.41 -0.05 1.58 -2.65 0.00 0.00 0.00 174.94 174.23 1xky n PRO 291 N 6.98 2.32 0.00 2.79 -0.02 -1.26 -5.10 135.00 140.71 1xky n PRO 291 Ca 0.17 0.83 0.01 0.00 -2.02 0.00 0.00 63.50 62.50 1xky n PRO 291 Cb 0.42 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1xky n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02