#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 2.98 -0.30 1.12 2.07 -1.26 -5.02 121.20 120.79 1xky s ILE 2 Ca 0.00 0.98 0.03 0.00 -1.41 0.00 0.00 60.65 60.26 1xky s ILE 2 Cb 0.00 -3.62 0.08 0.00 0.13 0.00 0.00 42.46 39.05 1xky s ILE 2 CO 0.00 0.23 -0.03 -0.62 -1.91 0.00 0.00 174.94 172.61 1xky s ASP 3 N -0.64 4.56 0.00 4.50 2.15 -1.26 -4.96 116.67 121.02 1xky s ASP 3 Ca 0.48 -1.75 0.30 0.00 0.43 0.00 0.00 52.55 52.01 1xky s ASP 3 Cb -0.37 -1.55 1.55 0.00 -0.30 0.00 0.00 42.92 42.25 1xky s ASP 3 CO 0.49 -0.29 2.07 0.49 -0.17 0.00 0.00 175.17 177.76 1xky n PHE 4 N 4.37 0.00 -4.42 -5.34 3.72 -1.26 -4.78 117.46 109.75 1xky n PHE 4 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1xky n PHE 4 Cb 0.42 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.26 -0.36 0.09 1.37 0.00 -1.26 -3.73 105.19 102.56 1xky n GLY 5 Ca 0.15 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 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 1.24 -3.68 2.61 -2.24 -1.26 -4.66 114.28 106.29 1xky n THR 6 Ca 0.00 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 1xky n THR 6 Cb 0.00 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 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 -2.87 0.75 -0.13 2.28 1.01 -1.26 -0.91 121.20 120.08 1xky s ILE 7 Ca -0.04 -1.51 -0.21 0.00 0.00 0.00 0.00 60.65 58.89 1xky s ILE 7 Cb 0.09 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1xky s ILE 7 CO 0.82 -0.75 0.62 0.00 0.00 0.00 0.00 174.94 175.63 1xky s ALA 8 N 1.44 3.45 -0.24 9.38 0.00 -0.73 -0.23 121.76 134.84 1xky s ALA 8 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1xky s ALA 8 Cb -0.19 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1xky s ALA 8 CO -0.21 -0.25 0.15 0.99 0.00 0.00 0.00 175.76 176.45 1xky s THR 9 N 1.18 5.28 -1.15 0.00 2.01 -0.18 0.29 115.64 123.06 1xky s THR 9 Ca 0.32 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1xky s THR 9 Cb -0.16 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1xky s THR 9 CO 0.13 0.35 1.77 0.00 -0.69 0.00 0.00 174.62 176.18 1xky s ALA 10 N 1.05 2.50 0.15 7.40 0.00 0.07 -1.02 121.76 131.92 1xky s ALA 10 Ca 0.07 -2.35 -0.31 0.00 0.00 0.00 0.00 51.96 49.38 1xky s ALA 10 Cb -0.14 -4.62 -0.08 0.00 0.00 0.00 0.00 23.12 18.28 1xky s ALA 10 CO 0.04 -4.16 1.33 1.41 0.00 0.00 0.00 175.76 174.39 1xky s MET 11 N 5.46 4.36 0.77 0.00 1.75 -0.84 -4.64 119.30 126.16 1xky s MET 11 Ca 0.59 2.04 -0.13 0.00 -1.25 0.00 0.00 55.69 56.94 1xky s MET 11 Cb 0.00 -3.23 0.06 0.00 2.84 0.00 0.00 34.83 34.50 1xky s MET 11 CO 0.05 -0.33 1.15 0.14 -0.65 0.00 0.00 175.02 175.38 1xky s VAL 12 N 0.62 2.62 -0.41 10.11 -7.23 -1.26 -3.15 120.40 121.70 1xky s VAL 12 Ca 0.60 0.26 -0.12 0.00 -1.81 0.00 0.00 61.98 60.90 1xky s VAL 12 Cb -0.36 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 33.95 1xky s VAL 12 CO 0.34 -0.21 0.27 -0.89 -0.31 0.00 0.00 175.10 174.30 1xky s THR 13 N -2.38 4.80 0.22 5.32 2.01 -1.26 -4.87 115.64 119.47 1xky s THR 13 Ca 0.69 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 1xky s THR 13 Cb -0.24 -3.75 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 1xky s THR 13 CO 0.49 -0.36 1.61 -2.84 -0.69 0.00 0.00 174.62 172.83 1xky s PRO 14 N 1.58 4.17 0.08 4.92 0.02 -1.26 -4.96 135.00 139.55 1xky s PRO 14 Ca 0.03 2.48 0.08 0.00 0.02 0.00 0.00 61.00 63.62 1xky s PRO 14 Cb -0.21 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1xky s PRO 14 CO 0.07 -0.64 -0.19 -0.06 -0.33 0.00 0.00 177.00 175.85 1xky s PHE 15 N 0.76 2.51 0.58 6.54 2.99 -0.64 -1.32 117.98 129.39 1xky s PHE 15 Ca 0.69 -0.28 -0.08 0.00 0.00 0.00 0.00 56.93 57.26 1xky s PHE 15 Cb -0.46 -1.39 0.13 0.00 0.00 0.00 0.00 43.02 41.29 1xky s PHE 15 CO 0.37 0.31 0.79 -0.40 -0.00 0.00 0.00 175.22 176.28 1xky n ASP 16 N 1.21 0.24 0.26 1.36 5.68 0.17 -3.48 116.55 121.99 1xky n ASP 16 Ca -0.16 -1.40 0.17 0.00 -0.50 0.00 0.00 54.79 52.90 1xky n ASP 16 Cb 0.52 -0.58 0.90 0.00 -1.14 0.00 0.00 41.12 40.82 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 -1.26 0.41 -0.09 2.12 6.09 -2.00 -1.03 117.51 121.74 1xky h ILE 17 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1xky h ILE 17 Cb 0.75 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.94 1xky h ILE 17 CO 0.20 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.87 1xky n ASN 18 N -3.69 2.18 0.00 2.19 5.03 -1.26 -4.93 115.26 114.78 1xky n ASN 18 Ca -0.01 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1xky n ASN 18 Cb 0.21 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 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 1.25 0.69 3.88 7.41 0.00 -0.39 -5.05 105.19 112.99 1xky n GLY 19 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.28 6.51 0.19 1.61 0.02 -1.26 -4.74 114.94 114.98 1xky s ASN 20 Ca 0.00 0.99 -0.33 0.00 -1.02 0.00 0.00 52.86 52.50 1xky s ASN 20 Cb 0.00 -2.26 -0.15 0.00 0.02 0.00 0.00 41.25 38.86 1xky s ASN 20 CO 0.00 -0.32 1.35 -0.38 0.02 0.00 0.00 177.10 177.78 1xky n ILE 21 N -1.12 0.65 -3.61 0.60 5.41 -1.26 0.41 119.36 120.44 1xky n ILE 21 Ca 0.01 -0.16 -0.40 0.00 1.00 0.00 0.00 62.75 63.19 1xky n ILE 21 Cb 0.54 -1.21 -0.11 0.00 -0.71 0.00 0.00 39.64 38.15 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 0.33 5.68 0.07 4.38 -1.08 -0.43 -4.62 116.67 120.98 1xky s ASP 22 Ca 0.73 -1.10 -0.14 0.00 -0.52 0.00 0.00 52.55 51.52 1xky s ASP 22 Cb -0.75 -2.00 -0.26 0.00 -1.46 0.00 0.00 42.92 38.44 1xky s ASP 22 CO 0.48 -0.41 1.15 -0.26 0.52 0.00 0.00 175.17 176.65 1xky h PHE 23 N 8.41 1.04 -0.49 -5.34 -1.00 -1.92 -1.70 116.94 115.94 1xky h PHE 23 Ca -0.25 -0.61 -0.00 0.00 2.81 0.00 0.00 57.97 59.92 1xky h PHE 23 Cb 1.10 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.53 1xky h PHE 23 CO 0.58 1.45 0.30 0.00 -1.61 0.00 0.00 178.31 179.02 1xky h ALA 24 N 0.35 0.63 -0.12 2.45 0.00 -1.99 -1.62 119.26 118.95 1xky h ALA 24 Ca -0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1xky h ALA 24 Cb 1.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1xky h ALA 24 CO 0.22 0.12 -0.33 0.87 0.00 0.00 0.00 179.25 180.13 1xky h LYS 25 N 0.66 0.24 -0.22 0.00 1.57 -1.93 -1.59 116.57 115.29 1xky h LYS 25 Ca 0.18 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1xky h LYS 25 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xky h LYS 25 CO -0.03 0.54 0.06 1.15 -0.57 0.00 0.00 179.45 180.61 1xky h THR 26 N 0.21 1.20 -0.49 -0.16 2.02 -0.99 0.70 112.91 115.39 1xky h THR 26 Ca 0.03 -0.63 0.07 0.00 0.77 0.00 0.00 66.41 66.65 1xky h THR 26 Cb 0.69 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1xky h THR 26 CO 0.05 0.20 0.17 0.74 0.37 0.00 0.00 175.52 177.05 1xky h THR 27 N 0.18 0.83 -0.35 3.16 2.02 -1.13 0.30 112.91 117.92 1xky h THR 27 Ca 0.07 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1xky h THR 27 Cb 0.25 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1xky h THR 27 CO -0.00 0.06 0.21 0.11 0.37 0.00 0.00 175.52 176.27 1xky h LYS 28 N 0.35 0.48 -0.20 6.66 1.57 -1.07 -2.01 116.57 122.34 1xky h LYS 28 Ca 0.24 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1xky h LYS 28 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1xky h LYS 28 CO -0.24 0.37 0.10 1.25 -0.57 0.00 0.00 179.45 180.35 1xky h LEU 29 N 0.46 0.15 -0.25 2.94 5.85 -0.58 -0.96 115.31 122.92 1xky h LEU 29 Ca 0.13 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1xky h LEU 29 Cb 0.01 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1xky h LEU 29 CO -0.02 0.11 -0.02 0.58 -0.34 0.00 0.00 178.44 178.76 1xky h VAL 30 N 0.21 0.80 -0.59 1.05 2.07 -0.80 -0.27 116.25 118.72 1xky h VAL 30 Ca 0.08 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1xky h VAL 30 Cb 0.02 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1xky h VAL 30 CO -0.06 0.01 0.07 0.78 0.02 0.00 0.00 177.57 178.40 1xky h ASN 31 N 0.06 0.92 0.21 0.57 2.35 -1.27 -1.94 115.58 116.48 1xky h ASN 31 Ca 0.12 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1xky h ASN 31 Cb 0.16 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1xky h ASN 31 CO -0.22 0.94 -0.18 0.22 -1.65 0.00 0.00 177.43 176.54 1xky h TYR 32 N 0.90 -0.48 -0.14 1.19 3.20 -0.73 -2.07 116.97 118.85 1xky h TYR 32 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1xky h TYR 32 Cb 0.43 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1xky h TYR 32 CO 0.03 -0.28 0.01 -0.07 -1.64 0.00 0.00 178.16 176.20 1xky h LEU 33 N -0.41 -0.04 -1.59 2.82 3.38 -0.82 -1.74 115.31 116.91 1xky h LEU 33 Ca -0.01 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1xky h LEU 33 Cb 0.38 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1xky h LEU 33 CO -0.03 0.00 0.42 0.40 0.09 0.00 0.00 178.44 179.32 1xky h ILE 34 N 0.05 0.91 -0.01 1.22 2.04 -1.35 -0.23 117.51 120.15 1xky h ILE 34 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xky h ILE 34 Cb 0.07 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1xky h ILE 34 CO -0.10 0.09 -0.02 -0.67 0.00 0.00 0.00 178.15 177.45 1xky n ASP 35 N -4.48 0.89 -2.23 1.72 2.03 -0.76 -4.12 116.55 109.60 1xky n ASP 35 Ca 0.10 -1.23 -0.07 0.00 0.52 0.00 0.00 54.79 54.11 1xky n ASP 35 Cb 0.35 -0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.34 2.57 0.00 1.67 3.02 -0.14 -5.00 115.26 117.03 1xky n ASN 36 Ca 0.20 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1xky n ASN 36 Cb 0.27 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.54 0.56 3.70 7.41 0.00 -1.14 -3.09 105.19 112.10 1xky n GLY 37 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.28 4.41 -0.95 2.61 2.01 -0.94 -4.60 115.64 115.90 1xky s THR 38 Ca 0.00 1.73 0.12 0.00 0.31 0.00 0.00 61.69 63.85 1xky s THR 38 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1xky s THR 38 CO 0.00 0.09 0.65 0.35 -0.69 0.00 0.00 174.62 175.01 1xky n THR 39 N 4.16 0.00 -3.55 -0.82 -2.24 0.69 -4.53 114.28 107.98 1xky n THR 39 Ca 0.09 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1xky n THR 39 Cb 0.48 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.67 -1.84 -0.14 6.98 0.00 -1.18 -4.11 121.76 119.80 1xky s ALA 40 Ca 0.08 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1xky s ALA 40 Cb 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1xky s ALA 40 CO 0.34 -0.34 -0.19 0.42 0.00 0.00 0.00 175.76 176.00 1xky s ILE 41 N -1.02 2.38 -0.30 0.00 1.01 -0.02 -1.01 121.20 122.25 1xky s ILE 41 Ca -0.06 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 1xky s ILE 41 Cb -0.01 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1xky s ILE 41 CO 0.06 0.53 0.51 -0.69 0.00 0.00 0.00 174.94 175.35 1xky s VAL 42 N 0.74 5.05 -0.14 2.92 1.01 -0.19 0.07 120.40 129.86 1xky s VAL 42 Ca -0.08 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 1xky s VAL 42 Cb -0.16 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1xky s VAL 42 CO 0.00 -0.03 0.04 -0.69 0.00 0.00 0.00 175.10 174.43 1xky s VAL 43 N 2.34 4.61 -0.96 2.92 1.01 0.10 -1.98 120.40 128.44 1xky s VAL 43 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1xky s VAL 43 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1xky s VAL 43 CO 0.11 0.53 0.18 0.61 0.00 0.00 0.00 175.10 176.53 1xky n GLY 44 N 2.88 -0.06 0.00 4.51 0.00 -1.26 -1.52 105.19 109.73 1xky n GLY 44 Ca -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.11 0.16 0.27 -0.02 0.00 -1.26 -4.34 105.19 98.89 1xky n GLY 45 Ca -0.10 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.50 0.61 0.00 2.61 2.02 -1.95 0.22 112.91 115.91 1xky h THR 46 Ca 0.00 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1xky h THR 46 Cb 0.00 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1xky h THR 46 CO 0.00 0.07 -0.26 0.74 0.37 0.00 0.00 175.52 176.44 1xky h THR 47 N 0.36 0.65 -0.24 3.16 2.02 -1.87 -2.18 112.91 114.80 1xky h THR 47 Ca 0.40 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1xky h THR 47 Cb 0.64 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1xky h THR 47 CO -0.44 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.32 1xky n GLY 48 N 0.13 0.21 3.40 2.16 0.00 0.01 -4.21 105.19 106.88 1xky n GLY 48 Ca -0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 0.22 -6.92 -0.34 1.61 1.02 -0.82 -4.28 120.64 111.13 1xky n GLU 49 Ca 0.08 0.80 0.11 0.00 -0.02 0.00 0.00 57.16 58.14 1xky n GLU 49 Cb 0.22 -5.72 0.30 0.00 -0.02 0.00 0.00 31.44 26.22 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 -2.17 0.74 -0.19 1.62 4.64 -1.59 -2.19 113.55 114.40 1xky h SER 50 Ca -0.55 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1xky h SER 50 Cb 1.34 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1xky h SER 50 CO 0.50 0.28 0.13 -0.65 -0.87 0.00 0.00 176.83 176.22 1xky h PRO 51 N 0.75 0.12 -0.02 4.77 0.11 -1.90 -2.72 132.00 133.11 1xky h PRO 51 Ca 0.55 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1xky h PRO 51 Cb 0.83 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xky h PRO 51 CO -0.38 0.08 -0.04 0.25 -0.21 0.00 0.00 178.00 177.71 1xky n THR 52 N -4.50 0.00 -3.01 -1.15 -2.24 -0.86 -4.93 114.28 97.59 1xky n THR 52 Ca 0.01 -0.48 -0.40 0.00 -2.27 0.00 0.00 64.05 60.91 1xky n THR 52 Cb 0.18 1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.69 4.52 0.78 3.22 1.43 -1.02 -5.07 118.68 120.84 1xky s LEU 53 Ca 0.22 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1xky s LEU 53 Cb 0.16 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 43.22 1xky s LEU 53 CO 0.27 0.12 1.09 0.42 0.23 0.00 0.00 176.35 178.48 1xky s THR 54 N -0.60 3.27 0.27 5.49 -4.23 -1.26 -4.82 115.64 113.76 1xky s THR 54 Ca 0.36 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1xky s THR 54 Cb -0.21 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.01 1xky s THR 54 CO 0.24 -0.54 1.79 -1.28 -0.54 0.00 0.00 174.62 174.29 1xky h SER 55 N -1.17 0.69 -0.55 3.99 0.87 -1.97 -0.90 113.55 114.52 1xky h SER 55 Ca -0.44 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 1xky h SER 55 Cb 1.23 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1xky h SER 55 CO 0.51 0.31 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.71 1xky h GLU 56 N 0.76 1.03 -0.56 2.24 3.07 -2.00 -2.48 114.58 116.64 1xky h GLU 56 Ca 0.49 -0.37 -0.10 0.00 -0.50 0.00 0.00 59.36 58.89 1xky h GLU 56 Cb 0.65 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1xky h GLU 56 CO -0.33 1.06 -0.03 0.93 -1.40 0.00 0.00 179.01 179.23 1xky h GLU 57 N 0.92 1.00 -0.03 2.33 5.08 -1.72 -1.69 114.58 120.47 1xky h GLU 57 Ca 0.15 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1xky h GLU 57 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1xky h GLU 57 CO 0.04 1.00 -0.06 0.87 -1.00 0.00 0.00 179.01 179.86 1xky h LYS 58 N 0.91 -0.09 -0.62 2.33 1.57 -0.96 -0.77 116.57 118.94 1xky h LYS 58 Ca 0.16 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1xky h LYS 58 Cb 0.57 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1xky h LYS 58 CO 0.03 -0.06 0.07 0.28 -0.57 0.00 0.00 179.45 179.21 1xky h VAL 59 N -0.09 1.26 -0.68 0.50 2.07 -1.36 0.04 116.25 117.99 1xky h VAL 59 Ca 0.04 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1xky h VAL 59 Cb 0.14 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1xky h VAL 59 CO -0.09 0.39 0.41 0.00 0.02 0.00 0.00 177.57 178.30 1xky h ALA 60 N 1.02 0.87 -0.22 1.67 0.00 -1.19 0.80 119.26 122.21 1xky h ALA 60 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xky h ALA 60 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xky h ALA 60 CO 0.02 0.34 0.14 1.25 0.00 0.00 0.00 179.25 180.99 1xky h LEU 61 N 0.93 0.26 -0.12 0.00 5.85 -0.81 -0.30 115.31 121.11 1xky h LEU 61 Ca 0.24 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1xky h LEU 61 Cb -0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1xky h LEU 61 CO -0.05 0.21 -0.14 1.88 -0.34 0.00 0.00 178.44 180.01 1xky h TYR 62 N 0.27 -0.36 -0.20 1.25 0.05 -0.54 -0.61 116.97 116.84 1xky h TYR 62 Ca 0.08 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.93 1xky h TYR 62 Cb 0.00 0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.85 1xky h TYR 62 CO -0.05 -0.21 -0.28 0.00 -1.05 0.00 0.00 178.16 176.57 1xky h ARG 63 N -0.18 -0.30 -0.60 4.88 3.08 -0.67 -1.13 114.38 119.46 1xky h ARG 63 Ca 0.09 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1xky h ARG 63 Cb 0.31 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1xky h ARG 63 CO -0.23 -0.20 0.25 1.25 -1.07 0.00 0.00 179.97 179.97 1xky h HIS 64 N -0.31 0.90 -0.31 3.04 2.76 -0.78 -1.60 115.15 118.85 1xky h HIS 64 Ca 0.12 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1xky h HIS 64 Cb 0.50 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1xky h HIS 64 CO -0.40 0.71 -0.02 0.28 -1.30 0.00 0.00 177.93 177.20 1xky h VAL 65 N 0.82 1.26 -0.41 5.26 2.07 -0.95 -1.46 116.25 122.85 1xky h VAL 65 Ca 0.20 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.81 1xky h VAL 65 Cb 0.19 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1xky h VAL 65 CO -0.02 0.32 0.00 0.58 0.02 0.00 0.00 177.57 178.47 1xky h VAL 66 N 0.34 0.69 -0.68 2.57 2.07 -1.02 0.13 116.25 120.35 1xky h VAL 66 Ca 0.08 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1xky h VAL 66 Cb 0.47 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1xky h VAL 66 CO 0.02 0.02 0.21 0.77 0.02 0.00 0.00 177.57 178.61 1xky h SER 67 N 0.11 1.00 -0.08 0.57 4.64 -1.05 -1.48 113.55 117.26 1xky h SER 67 Ca 0.20 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1xky h SER 67 Cb 0.29 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1xky h SER 67 CO -0.34 0.94 -0.10 0.58 -0.87 0.00 0.00 176.83 177.05 1xky h VAL 68 N 1.00 1.39 -0.93 0.95 2.07 -0.94 -3.23 116.25 116.56 1xky h VAL 68 Ca 0.22 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1xky h VAL 68 Cb 0.30 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1xky h VAL 68 CO -0.01 0.37 0.61 0.58 0.02 0.00 0.00 177.57 179.14 1xky h VAL 69 N -0.25 1.16 -6.09 2.57 2.07 -0.70 -3.46 116.25 111.55 1xky h VAL 69 Ca 0.01 -0.40 -0.43 0.00 0.82 0.00 0.00 66.70 66.70 1xky h VAL 69 Cb 0.64 -0.12 0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1xky h VAL 69 CO 0.02 0.21 -0.78 -0.67 0.02 0.00 0.00 177.57 176.38 1xky n ASP 70 N -4.44 -3.27 -0.70 0.57 4.64 -0.56 -1.72 116.55 111.07 1xky n ASP 70 Ca 0.12 -0.75 -0.09 0.00 -1.38 0.00 0.00 54.79 52.70 1xky n ASP 70 Cb 0.10 -4.24 -0.04 0.00 -1.04 0.00 0.00 41.12 35.90 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 -4.51 -1.35 -0.04 -0.67 4.76 -1.26 -4.89 118.16 110.20 1xky n LYS 71 Ca -0.13 0.77 -0.17 0.00 -2.87 0.00 0.00 58.31 55.92 1xky n LYS 71 Cb 0.61 -4.97 -0.06 0.00 -1.84 0.00 0.00 35.03 28.76 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 0.09 0.82 -4.51 1.97 3.08 -1.71 -3.45 114.38 110.67 1xky h ARG 72 Ca -0.19 -0.62 -0.22 0.00 0.07 0.00 0.00 59.98 59.02 1xky h ARG 72 Cb 0.95 0.12 -0.17 0.00 0.08 0.00 0.00 29.97 30.95 1xky h ARG 72 CO 0.27 1.24 -0.71 0.14 -1.07 0.00 0.00 179.97 179.85 1xky s VAL 73 N -3.86 0.52 0.46 2.04 -7.23 -1.26 -5.07 120.40 106.00 1xky s VAL 73 Ca -0.10 -1.58 -0.25 0.00 -1.81 0.00 0.00 61.98 58.24 1xky s VAL 73 Cb 0.09 -1.23 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 1xky s VAL 73 CO 0.90 -0.72 1.40 -2.84 -0.31 0.00 0.00 175.10 173.54 1xky s PRO 74 N -3.00 3.66 -0.24 4.82 0.02 -1.26 -4.82 135.00 134.18 1xky s PRO 74 Ca 0.02 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 1xky s PRO 74 Cb 0.00 -2.62 -0.00 0.00 0.02 0.00 0.00 34.50 31.89 1xky s PRO 74 CO -0.04 -0.82 0.00 0.08 -0.33 0.00 0.00 177.00 175.90 1xky s VAL 75 N -1.22 3.61 -0.22 3.83 1.01 -1.26 -0.84 120.40 125.30 1xky s VAL 75 Ca 0.62 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1xky s VAL 75 Cb -0.43 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1xky s VAL 75 CO 0.54 0.31 0.02 -0.63 0.00 0.00 0.00 175.10 175.34 1xky s ILE 76 N 1.49 3.94 -0.15 2.22 1.01 0.11 -0.88 121.20 128.94 1xky s ILE 76 Ca 0.05 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 1xky s ILE 76 Cb -0.15 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 1xky s ILE 76 CO -0.01 0.39 0.29 0.00 0.00 0.00 0.00 174.94 175.61 1xky s ALA 77 N 1.34 3.61 -1.33 9.38 0.00 -0.39 0.01 121.76 134.38 1xky s ALA 77 Ca 0.04 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1xky s ALA 77 Cb -0.15 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.64 1xky s ALA 77 CO 0.01 0.13 1.97 0.41 0.00 0.00 0.00 175.76 178.28 1xky n GLY 78 N 3.27 3.27 0.03 0.00 0.00 -0.58 -0.24 105.19 110.95 1xky n GLY 78 Ca -0.12 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.55 1xky n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xky n THR 79 N 5.91 0.18 -3.00 2.61 -2.24 -1.08 -4.75 114.28 111.89 1xky n THR 79 Ca 0.50 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.68 1xky n THR 79 Cb 0.43 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1xky n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xky s GLY 80 N -3.54 2.84 0.00 3.38 0.00 -1.16 -4.54 107.32 104.30 1xky s GLY 80 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1xky s GLY 80 CO 0.77 0.94 0.00 -1.14 0.00 0.00 0.00 173.10 173.68 1xky n SER 81 N 2.17 1.14 -0.77 1.64 3.41 -1.26 -4.44 113.62 115.50 1xky n SER 81 Ca -0.05 -0.37 0.05 0.00 -0.26 0.00 0.00 58.87 58.24 1xky n SER 81 Cb 0.49 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.69 2.19 -3.94 4.04 2.04 -1.26 -4.49 115.26 113.15 1xky n ASN 82 Ca 0.00 -2.12 -0.30 0.00 -0.44 0.00 0.00 54.58 51.73 1xky n ASN 82 Cb 0.00 -0.32 -0.16 0.00 -2.53 0.00 0.00 39.78 36.77 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 -0.83 3.53 0.09 0.53 3.84 -1.26 -4.91 114.94 115.93 1xky s ASN 83 Ca 0.23 -1.00 -0.19 0.00 0.21 0.00 0.00 52.86 52.11 1xky s ASN 83 Cb 0.14 -1.13 -0.08 0.00 -0.55 0.00 0.00 41.25 39.63 1xky s ASN 83 CO 0.13 -0.21 1.55 0.74 -2.79 0.00 0.00 177.10 176.52 1xky h THR 84 N 6.54 1.24 -0.32 -5.21 2.02 -1.96 -0.39 112.91 114.85 1xky h THR 84 Ca -0.21 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1xky h THR 84 Cb 1.09 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1xky h THR 84 CO 0.42 0.26 0.18 -0.74 0.37 0.00 0.00 175.52 176.02 1xky h HIS 85 N 0.21 0.35 -0.89 3.16 -0.00 -1.98 -0.05 115.15 115.95 1xky h HIS 85 Ca 0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1xky h HIS 85 Cb 0.36 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 1xky h HIS 85 CO 0.03 0.21 0.53 0.00 -0.00 0.00 0.00 177.93 178.69 1xky h ALA 86 N 1.14 1.24 -0.69 5.26 0.00 -1.97 -1.88 119.26 122.36 1xky h ALA 86 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1xky h ALA 86 Cb -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1xky h ALA 86 CO -0.06 0.64 0.16 0.77 0.00 0.00 0.00 179.25 180.76 1xky h SER 87 N 1.24 1.05 -0.03 0.00 0.02 -0.48 -1.17 113.55 114.18 1xky h SER 87 Ca 0.32 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1xky h SER 87 Cb -0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 1xky h SER 87 CO -0.06 1.02 0.01 0.40 -1.14 0.00 0.00 176.83 177.06 1xky h ILE 88 N 1.04 1.06 -0.25 3.27 2.04 -0.76 -0.45 117.51 123.46 1xky h ILE 88 Ca 0.22 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1xky h ILE 88 Cb 0.38 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1xky h ILE 88 CO 0.00 0.05 -0.12 -0.78 0.00 0.00 0.00 178.15 177.30 1xky h ASP 89 N -0.03 -0.41 -0.30 1.72 3.58 -1.11 -1.13 116.42 118.74 1xky h ASP 89 Ca 0.01 0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.42 1xky h ASP 89 Cb 0.07 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1xky h ASP 89 CO -0.00 -0.16 -0.31 0.25 -2.88 0.00 0.00 179.24 176.15 1xky h LEU 90 N -0.09 0.86 -0.87 2.28 5.85 -1.15 -2.09 115.31 120.10 1xky h LEU 90 Ca 0.13 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1xky h LEU 90 Cb 0.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1xky h LEU 90 CO -0.31 1.09 0.57 0.74 -0.34 0.00 0.00 178.44 180.19 1xky h THR 91 N 0.69 1.20 -0.47 1.05 2.02 -0.85 -0.26 112.91 116.30 1xky h THR 91 Ca 0.08 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1xky h THR 91 Cb 0.85 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1xky h THR 91 CO 0.07 0.21 0.08 0.11 0.37 0.00 0.00 175.52 176.36 1xky h LYS 92 N 1.15 0.78 -0.48 6.66 1.57 -1.00 -1.18 116.57 124.08 1xky h LYS 92 Ca 0.33 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1xky h LYS 92 Cb -0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1xky h LYS 92 CO -0.08 0.79 0.27 0.87 -0.57 0.00 0.00 179.45 180.73 1xky h LYS 93 N 0.65 0.66 -0.75 3.15 1.57 -1.12 -1.36 116.57 119.38 1xky h LYS 93 Ca 0.14 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1xky h LYS 93 Cb 0.39 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1xky h LYS 93 CO 0.01 0.51 0.32 0.00 -0.57 0.00 0.00 179.45 179.72 1xky h ALA 94 N 1.11 1.15 -0.44 3.86 0.00 -0.96 -2.17 119.26 121.81 1xky h ALA 94 Ca 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xky h ALA 94 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1xky h ALA 94 CO -0.03 0.62 0.26 1.15 0.00 0.00 0.00 179.25 181.25 1xky h THR 95 N 1.08 1.05 0.00 0.00 2.02 -0.83 -2.62 112.91 113.60 1xky h THR 95 Ca 0.25 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 1xky h THR 95 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1xky h THR 95 CO -0.03 0.10 -0.23 -0.33 0.37 0.00 0.00 175.52 175.40 1xky h GLU 96 N 0.53 0.00 0.00 6.66 4.39 -0.87 -2.14 114.58 123.15 1xky h GLU 96 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1xky h GLU 96 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1xky h GLU 96 CO -0.08 0.23 0.00 1.33 -1.16 0.00 0.00 179.01 179.33 1xky n VAL 97 N -4.05 0.54 -0.57 3.13 0.24 -0.85 -4.94 118.33 111.84 1xky n VAL 97 Ca -0.02 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1xky n VAL 97 Cb 0.30 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 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 1.14 1.49 3.67 7.63 0.00 -0.80 -4.86 105.19 113.46 1xky n GLY 98 Ca 0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 2.46 -0.11 1.61 -7.23 -1.15 -4.99 120.40 109.00 1xky s VAL 99 Ca 0.00 0.15 0.21 0.00 -1.81 0.00 0.00 61.98 60.53 1xky s VAL 99 Cb 0.00 -2.50 -0.24 0.00 0.56 0.00 0.00 36.38 34.20 1xky s VAL 99 CO 0.00 -0.20 0.55 0.47 -0.31 0.00 0.00 175.10 175.61 1xky n ASP 100 N -4.11 0.25 -3.52 4.85 9.92 -0.06 -4.88 116.55 119.00 1xky n ASP 100 Ca 0.07 0.10 -0.06 0.00 -0.53 0.00 0.00 54.79 54.37 1xky n ASP 100 Cb 0.55 1.33 -0.00 0.00 -0.64 0.00 0.00 41.12 42.35 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 -3.24 -1.20 0.05 2.24 0.00 -1.04 -4.09 121.76 114.47 1xky s ALA 101 Ca -0.06 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.59 1xky s ALA 101 Cb 0.11 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1xky s ALA 101 CO 0.86 -1.03 -0.16 0.14 0.00 0.00 0.00 175.76 175.57 1xky s VAL 102 N -3.17 1.31 -0.19 0.00 -7.23 -0.74 -1.27 120.40 109.10 1xky s VAL 102 Ca 0.14 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1xky s VAL 102 Cb -0.05 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1xky s VAL 102 CO 0.07 0.05 0.08 -0.32 -0.31 0.00 0.00 175.10 174.68 1xky s MET 103 N -1.21 4.00 -0.28 4.82 0.00 0.67 -0.87 119.30 126.42 1xky s MET 103 Ca 0.03 -0.33 0.02 0.00 0.00 0.00 0.00 55.69 55.42 1xky s MET 103 Cb -0.08 -3.29 0.06 0.00 0.00 0.00 0.00 34.83 31.53 1xky s MET 103 CO 0.02 0.23 -0.06 -0.51 0.00 0.00 0.00 175.02 174.69 1xky s LEU 104 N 0.51 3.73 0.46 4.11 1.43 0.37 -2.65 118.68 126.66 1xky s LEU 104 Ca 0.04 -1.47 -0.21 0.00 -1.03 0.00 0.00 54.13 51.46 1xky s LEU 104 Cb -0.12 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 1xky s LEU 104 CO 0.01 -0.23 1.04 0.54 0.23 0.00 0.00 176.35 177.93 1xky s VAL 105 N 1.11 3.78 0.09 -1.59 0.11 -1.26 -0.92 120.40 121.72 1xky s VAL 105 Ca -0.06 1.17 -0.32 0.00 -2.93 0.00 0.00 61.98 59.84 1xky s VAL 105 Cb -0.20 -3.51 -0.11 0.00 -1.53 0.00 0.00 36.38 31.03 1xky s VAL 105 CO -0.05 -0.18 1.81 0.00 -3.33 0.00 0.00 175.10 173.35 1xky n ALA 106 N -0.74 1.84 -1.63 1.54 0.00 -0.39 -4.77 120.51 116.37 1xky n ALA 106 Ca 0.08 0.33 -0.54 0.00 0.00 0.00 0.00 53.44 53.31 1xky n ALA 106 Cb 0.52 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 5.48 1.13 -3.16 0.00 -0.02 -1.26 -4.80 135.00 132.37 1xky n PRO 107 Ca 0.19 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.83 1xky n PRO 107 Cb 0.35 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.46 3.52 0.00 6.00 1.13 -1.26 -4.51 117.35 123.69 1xky s TYR 108 Ca 0.89 0.50 0.00 0.00 -1.41 0.00 0.00 57.07 57.05 1xky s TYR 108 Cb -1.00 -2.02 0.00 0.00 -1.10 0.00 0.00 41.96 37.84 1xky s TYR 108 CO 0.53 0.01 0.00 0.98 -2.51 0.00 0.00 175.55 174.56 1xky n TYR 109 N -1.88 0.00 1.43 -3.49 9.36 -1.26 -4.52 117.16 116.81 1xky n TYR 109 Ca -0.03 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.33 1xky n TYR 109 Cb 0.56 0.00 0.52 0.00 -0.63 0.00 0.00 39.34 39.79 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 2.62 1.07 -3.53 2.98 0.23 -1.26 -4.99 115.26 112.39 1xky n ASN 110 Ca 0.00 -1.11 -0.23 0.00 -0.53 0.00 0.00 54.58 52.71 1xky n ASN 110 Cb 0.00 0.03 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 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 -0.36 -1.40 -1.31 -3.83 5.02 -1.26 -4.95 118.16 110.06 1xky n LYS 111 Ca 0.16 0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 56.90 1xky n LYS 111 Cb 0.32 -4.39 0.11 0.00 -0.02 0.00 0.00 35.03 31.05 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 -5.08 1.91 0.82 1.97 0.04 -1.26 -5.05 135.00 128.35 1xky s PRO 112 Ca 0.32 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 1xky s PRO 112 Cb -0.10 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.66 1xky s PRO 112 CO 0.83 -1.82 1.18 -1.54 0.04 0.00 0.00 177.00 175.69 1xky s SER 113 N -3.52 4.30 0.14 6.66 1.04 -1.26 -4.86 113.70 116.20 1xky s SER 113 Ca 0.62 0.62 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 1xky s SER 113 Cb -0.17 -1.05 0.01 0.00 0.10 0.00 0.00 66.02 64.91 1xky s SER 113 CO 0.56 -2.01 1.74 1.56 0.98 0.00 0.00 173.24 176.07 1xky h GLN 114 N -1.08 0.16 -0.43 4.02 1.08 -1.97 -0.79 115.11 116.10 1xky h GLN 114 Ca -0.45 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 56.64 1xky h GLN 114 Cb 1.31 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1xky h GLN 114 CO 0.60 0.11 -0.15 1.49 -0.95 0.00 0.00 178.83 179.93 1xky h GLU 115 N 0.16 0.80 -0.22 1.46 4.57 -1.99 -0.43 114.58 118.94 1xky h GLU 115 Ca 0.13 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1xky h GLU 115 Cb 0.13 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1xky h GLU 115 CO -0.16 0.90 0.07 0.78 -1.18 0.00 0.00 179.01 179.42 1xky h GLY 116 N 0.97 0.27 1.02 1.92 0.00 -1.89 -1.31 103.07 104.06 1xky h GLY 116 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1xky h GLY 116 CO 0.05 0.03 0.38 -0.33 0.00 0.00 0.00 176.54 176.66 1xky h MET 117 N 0.18 1.12 -0.20 4.80 2.86 -0.93 0.30 114.93 123.05 1xky h MET 117 Ca 0.10 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1xky h MET 117 Cb 0.06 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 1xky h MET 117 CO -0.10 0.87 -0.10 -0.92 1.06 0.00 0.00 176.91 177.72 1xky h TYR 118 N 1.10 -0.24 -0.68 -0.22 3.20 -0.80 0.00 116.97 119.33 1xky h TYR 118 Ca 0.27 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 1xky h TYR 118 Cb 0.12 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1xky h TYR 118 CO 0.01 -0.16 0.13 1.96 -1.64 0.00 0.00 178.16 178.46 1xky h GLN 119 N -0.08 1.12 0.33 1.82 1.08 -0.95 -0.08 115.11 118.34 1xky h GLN 119 Ca 0.11 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1xky h GLN 119 Cb 0.25 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1xky h GLN 119 CO -0.26 1.01 -0.35 1.25 -0.95 0.00 0.00 178.83 179.53 1xky h HIS 120 N 1.05 -0.96 -0.37 2.96 -0.00 -0.61 0.40 115.15 117.61 1xky h HIS 120 Ca 0.21 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.47 1xky h HIS 120 Cb 0.42 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 1xky h HIS 120 CO 0.03 -0.49 -0.23 0.74 -0.00 0.00 0.00 177.93 177.98 1xky h PHE 121 N -0.71 0.84 -0.19 5.26 0.04 -0.92 -2.32 116.94 118.93 1xky h PHE 121 Ca -0.02 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1xky h PHE 121 Cb 0.65 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1xky h PHE 121 CO -0.22 0.90 0.10 -0.22 -0.60 0.00 0.00 178.31 178.27 1xky h LYS 122 N 0.64 0.27 -0.87 1.51 3.64 -0.87 -0.21 116.57 120.68 1xky h LYS 122 Ca 0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1xky h LYS 122 Cb 0.73 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1xky h LYS 122 CO 0.06 0.29 0.50 0.00 -2.27 0.00 0.00 179.45 178.02 1xky h ALA 123 N 0.97 1.24 -0.08 5.00 0.00 -0.78 -1.01 119.26 124.60 1xky h ALA 123 Ca 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1xky h ALA 123 Cb 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xky h ALA 123 CO -0.01 0.63 -0.13 0.82 0.00 0.00 0.00 179.25 180.56 1xky h ILE 124 N 1.21 1.40 -0.66 0.00 2.04 -1.28 -3.05 117.51 117.17 1xky h ILE 124 Ca 0.31 -1.40 0.08 0.00 1.00 0.00 0.00 64.86 64.85 1xky h ILE 124 Cb -0.01 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1xky h ILE 124 CO -0.05 0.39 0.44 0.00 0.00 0.00 0.00 178.15 178.93 1xky h ALA 125 N 0.51 1.85 -0.56 1.87 0.00 -0.88 -0.83 119.26 121.22 1xky h ALA 125 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xky h ALA 125 Cb 0.70 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xky h ALA 125 CO 0.03 0.02 0.37 1.49 0.00 0.00 0.00 179.25 181.16 1xky h GLU 126 N 0.59 0.73 0.00 0.00 4.81 -1.14 -3.10 114.58 116.47 1xky h GLU 126 Ca 0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1xky h GLU 126 Cb 0.40 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xky h GLU 126 CO -0.10 0.48 0.00 -1.13 -0.73 0.00 0.00 179.01 177.54 1xky n SER 127 N -4.45 0.00 -3.91 1.04 3.41 -0.32 -4.81 113.62 104.58 1xky n SER 127 Ca 0.05 -0.14 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 1xky n SER 127 Cb 0.06 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.54 0.07 -1.13 6.66 -1.32 -1.17 -4.75 115.64 111.46 1xky s THR 128 Ca 0.26 -0.57 0.28 0.00 -1.21 0.00 0.00 61.69 60.45 1xky s THR 128 Cb 0.18 -0.26 0.32 0.00 -1.51 0.00 0.00 72.50 71.22 1xky s THR 128 CO 0.40 -0.32 1.94 -0.81 -2.21 0.00 0.00 174.62 173.62 1xky n PRO 129 N 1.99 0.12 -2.41 7.08 -0.04 -1.26 -4.92 135.00 135.56 1xky n PRO 129 Ca -0.20 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 62.93 1xky n PRO 129 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.87 3.78 0.58 1.53 1.43 -1.26 -4.97 118.68 116.90 1xky s LEU 130 Ca 0.18 1.98 -0.20 0.00 -1.03 0.00 0.00 54.13 55.05 1xky s LEU 130 Cb 0.19 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1xky s LEU 130 CO 0.49 -0.94 1.33 -2.65 0.23 0.00 0.00 176.35 174.82 1xky n PRO 131 N -1.17 1.49 -4.93 1.29 -0.02 -1.26 -4.86 135.00 125.54 1xky n PRO 131 Ca 0.10 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1xky n PRO 131 Cb 0.52 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.28 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 -1.32 1.61 -0.22 -1.45 1.01 0.18 -1.80 120.40 118.42 1xky s VAL 132 Ca 0.75 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1xky s VAL 132 Cb -0.40 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1xky s VAL 132 CO 0.46 0.46 0.01 -0.32 0.00 0.00 0.00 175.10 175.71 1xky s MET 133 N 0.35 3.57 0.60 2.72 1.75 -0.05 -1.59 119.30 126.66 1xky s MET 133 Ca -0.13 -0.53 -0.15 0.00 -1.25 0.00 0.00 55.69 53.62 1xky s MET 133 Cb -0.16 -3.14 -0.03 0.00 2.84 0.00 0.00 34.83 34.35 1xky s MET 133 CO 0.05 -0.10 1.06 -0.51 -0.65 0.00 0.00 175.02 174.88 1xky s LEU 134 N 1.29 3.47 -0.25 4.11 1.43 -0.43 -0.48 118.68 127.83 1xky s LEU 134 Ca 0.04 1.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1xky s LEU 134 Cb -0.15 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.62 1xky s LEU 134 CO 0.01 -1.19 0.08 -0.47 0.23 0.00 0.00 176.35 175.02 1xky s TYR 135 N -2.49 0.90 -0.24 0.29 5.04 -0.10 0.38 117.35 121.12 1xky s TYR 135 Ca 0.63 -1.01 -0.21 0.00 -2.44 0.00 0.00 57.07 54.04 1xky s TYR 135 Cb -0.16 -1.12 -0.02 0.00 0.35 0.00 0.00 41.96 41.01 1xky s TYR 135 CO 0.38 -0.72 0.65 1.21 -1.34 0.00 0.00 175.55 175.73 1xky s ASN 136 N 1.90 6.62 -0.45 4.32 2.47 -0.14 -1.26 114.94 128.41 1xky s ASN 136 Ca 0.05 0.76 0.07 0.00 0.42 0.00 0.00 52.86 54.16 1xky s ASN 136 Cb -0.17 -2.35 0.23 0.00 -1.45 0.00 0.00 41.25 37.51 1xky s ASN 136 CO -0.20 -0.37 0.67 0.55 -3.72 0.00 0.00 177.10 174.03 1xky n VAL 137 N 5.10 -0.41 0.26 -5.21 3.14 -1.26 -0.79 118.33 119.16 1xky n VAL 137 Ca -0.00 -2.61 0.14 0.00 -2.96 0.00 0.00 64.34 58.90 1xky n VAL 137 Cb 0.49 -0.24 0.71 0.00 -1.06 0.00 0.00 33.84 33.74 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 4.32 0.00 0.00 1.45 0.13 -1.80 0.17 132.00 136.26 1xky h PRO 138 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1xky h PRO 138 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1xky h PRO 138 CO 0.34 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 1xky n GLY 139 N -0.47 -0.94 0.00 1.56 0.00 -1.26 -0.47 105.19 103.62 1xky n GLY 139 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.90 1.95 0.00 1.61 1.74 -0.42 -4.84 116.66 114.80 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 0.12 -0.96 -0.00 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.14 1.71 0.00 0.55 7.64 0.45 -4.73 113.62 117.11 1xky n SER 141 Ca 0.00 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1xky n SER 141 Cb 0.46 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.11 0.00 -1.54 0.44 5.41 0.38 -4.44 119.36 119.50 1xky n ILE 142 Ca 0.07 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.47 1xky n ILE 142 Cb 0.37 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.38 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 2.09 -0.02 1.39 -7.23 -1.26 -4.72 120.40 110.65 1xky s VAL 143 Ca 0.00 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1xky s VAL 143 Cb 0.00 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1xky s VAL 143 CO 0.00 -0.02 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.62 1xky s GLN 144 N -3.66 2.69 -0.49 4.82 -1.52 -1.26 -3.89 119.66 116.35 1xky s GLN 144 Ca 0.79 -0.62 -0.28 0.00 -1.95 0.00 0.00 55.36 53.29 1xky s GLN 144 Cb -0.34 -2.58 0.03 0.00 -0.22 0.00 0.00 33.01 29.90 1xky s GLN 144 CO 0.43 0.63 1.11 0.42 -0.25 0.00 0.00 175.29 177.64 1xky s ILE 145 N -0.95 4.21 0.77 1.08 1.01 -1.26 -4.93 121.20 121.13 1xky s ILE 145 Ca 0.16 1.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.75 1xky s ILE 145 Cb -0.11 -4.60 0.06 0.00 0.01 0.00 0.00 42.46 37.82 1xky s ILE 145 CO 0.06 -1.04 1.23 -0.94 0.00 0.00 0.00 174.94 174.24 1xky s SER 146 N 2.52 3.83 0.22 3.58 1.04 -1.26 -4.73 113.70 118.90 1xky s SER 146 Ca 0.45 2.43 -0.08 0.00 0.48 0.00 0.00 55.95 59.24 1xky s SER 146 Cb -0.08 -2.60 0.36 0.00 0.10 0.00 0.00 66.02 63.81 1xky s SER 146 CO 0.30 -2.51 1.71 0.58 0.98 0.00 0.00 173.24 174.29 1xky h VAL 147 N -0.56 0.62 -0.67 5.02 2.07 -1.95 -0.55 116.25 120.24 1xky h VAL 147 Ca -0.47 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1xky h VAL 147 Cb 1.31 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1xky h VAL 147 CO 0.48 0.06 0.32 0.44 0.02 0.00 0.00 177.57 178.88 1xky h ASP 148 N 0.31 0.87 -0.42 0.57 3.32 -1.99 -0.52 116.42 118.55 1xky h ASP 148 Ca 0.36 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 1xky h ASP 148 Cb 0.54 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xky h ASP 148 CO -0.42 0.74 -0.28 0.74 -1.72 0.00 0.00 179.24 178.30 1xky h THR 149 N 0.96 1.27 -0.56 0.35 2.02 -1.65 -2.05 112.91 113.25 1xky h THR 149 Ca 0.23 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1xky h THR 149 Cb 0.11 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1xky h THR 149 CO -0.03 0.49 0.21 0.58 0.37 0.00 0.00 175.52 177.15 1xky h VAL 150 N 0.81 1.23 -0.37 3.16 2.07 -0.71 -1.41 116.25 121.03 1xky h VAL 150 Ca 0.09 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1xky h VAL 150 Cb 0.86 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1xky h VAL 150 CO 0.08 0.27 0.24 0.58 0.02 0.00 0.00 177.57 178.76 1xky h VAL 151 N 0.77 1.11 -0.36 2.57 2.07 -1.01 0.12 116.25 121.51 1xky h VAL 151 Ca 0.19 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xky h VAL 151 Cb 0.22 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1xky h VAL 151 CO -0.01 0.10 0.20 0.03 0.02 0.00 0.00 177.57 177.91 1xky h ARG 152 N 0.49 0.39 -0.43 1.57 3.08 -1.21 -2.68 114.38 115.60 1xky h ARG 152 Ca 0.13 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1xky h ARG 152 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1xky h ARG 152 CO -0.03 0.26 0.01 -0.07 -1.07 0.00 0.00 179.97 179.07 1xky h LEU 153 N 0.40 0.66 -2.63 3.04 3.38 -0.93 -2.18 115.31 117.06 1xky h LEU 153 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xky h LEU 153 Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xky h LEU 153 CO -0.09 0.72 0.02 0.77 0.09 0.00 0.00 178.44 179.96 1xky h SER 154 N 0.66 0.00 1.33 -0.43 4.64 -0.42 -1.15 113.55 118.17 1xky h SER 154 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xky h SER 154 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1xky h SER 154 CO 0.01 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.64 1xky h GLU 155 N 0.00 0.00 -6.41 4.77 5.08 -1.25 -3.43 114.58 113.34 1xky h GLU 155 Ca 0.01 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.83 1xky h GLU 155 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xky h GLU 155 CO -0.00 0.00 0.56 0.42 -1.00 0.00 0.00 179.01 178.99 1xky s ILE 156 N -3.36 4.30 0.16 3.13 1.01 -0.44 -4.95 121.20 121.04 1xky s ILE 156 Ca 0.05 1.64 -0.17 0.00 0.00 0.00 0.00 60.65 62.17 1xky s ILE 156 Cb 0.08 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1xky s ILE 156 CO 0.56 0.09 1.69 -0.08 0.00 0.00 0.00 174.94 177.19 1xky h GLU 157 N 6.98 0.04 -0.25 2.79 4.81 -1.86 -1.80 114.58 125.29 1xky h GLU 157 Ca -0.39 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1xky h GLU 157 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1xky h GLU 157 CO 0.82 0.02 0.00 0.27 -0.73 0.00 0.00 179.01 179.39 1xky n ASN 158 N -5.25 1.81 -4.41 1.04 6.94 -1.26 -4.65 115.26 109.49 1xky n ASN 158 Ca 0.01 -1.83 -0.44 0.00 -0.02 0.00 0.00 54.58 52.31 1xky n ASN 158 Cb 0.20 -0.16 -0.05 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.67 4.71 -0.37 1.53 1.01 -0.68 0.50 121.20 126.23 1xky s ILE 159 Ca 0.29 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1xky s ILE 159 Cb 0.16 -4.50 -0.11 0.00 0.01 0.00 0.00 42.46 38.02 1xky s ILE 159 CO 0.23 -1.14 0.37 1.33 0.00 0.00 0.00 174.94 175.72 1xky n VAL 160 N 5.65 0.00 -3.73 2.92 0.24 -0.62 -4.59 118.33 118.21 1xky n VAL 160 Ca -0.08 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 1xky n VAL 160 Cb 0.44 0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 33.67 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 -2.00 -1.23 -0.01 2.33 0.00 -1.21 -1.34 121.76 118.30 1xky s ALA 161 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1xky s ALA 161 Cb 0.07 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1xky s ALA 161 CO 0.39 -0.92 -0.02 -1.50 0.00 0.00 0.00 175.76 173.71 1xky s ILE 162 N -3.87 0.21 -0.42 0.00 2.07 -0.34 -1.32 121.20 117.53 1xky s ILE 162 Ca 0.09 -0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.07 1xky s ILE 162 Cb -0.04 -0.23 0.02 0.00 0.13 0.00 0.00 42.46 42.34 1xky s ILE 162 CO 0.00 0.10 0.72 -0.75 -1.91 0.00 0.00 174.94 173.10 1xky s LYS 163 N 0.39 3.45 -0.47 3.50 2.20 0.16 -0.67 119.74 128.30 1xky s LYS 163 Ca -0.04 -0.11 -0.10 0.00 -0.36 0.00 0.00 55.97 55.36 1xky s LYS 163 Cb -0.07 -3.91 0.12 0.00 -1.51 0.00 0.00 37.83 32.46 1xky s LYS 163 CO -0.01 -1.00 0.35 0.34 -0.36 0.00 0.00 175.35 174.67 1xky s ASP 164 N 2.02 5.73 -0.34 1.43 -1.08 0.03 -0.97 116.67 123.49 1xky s ASP 164 Ca 0.27 -1.89 0.08 0.00 -0.52 0.00 0.00 52.55 50.49 1xky s ASP 164 Cb -0.13 -2.02 0.69 0.00 -1.46 0.00 0.00 42.92 40.00 1xky s ASP 164 CO 0.20 -0.70 1.79 0.00 0.52 0.00 0.00 175.17 176.98 1xky n ALA 165 N 4.93 4.75 0.47 3.66 0.00 0.03 -0.84 120.51 133.51 1xky n ALA 165 Ca -0.08 -2.34 0.11 0.00 0.00 0.00 0.00 53.44 51.12 1xky n ALA 165 Cb 0.41 -1.30 0.44 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.37 -1.25 2.18 0.00 0.00 -1.25 -4.55 105.19 99.95 1xky n GLY 166 Ca 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 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 0.18 0.45 2.93 -0.02 0.00 -1.26 -4.98 105.19 102.49 1xky n GLY 167 Ca 0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.16 4.31 0.29 1.61 -1.08 -1.26 -4.98 116.67 113.40 1xky s ASP 168 Ca 0.00 -1.70 0.25 0.00 -0.52 0.00 0.00 52.55 50.57 1xky s ASP 168 Cb 0.00 -1.31 1.02 0.00 -1.46 0.00 0.00 42.92 41.17 1xky s ASP 168 CO 0.00 -0.34 1.74 -0.37 0.52 0.00 0.00 175.17 176.73 1xky h VAL 169 N 6.61 0.00 0.10 1.11 -1.51 -1.97 -2.61 116.25 117.98 1xky h VAL 169 Ca -0.11 -0.27 -0.27 0.00 -1.23 0.00 0.00 66.70 64.81 1xky h VAL 169 Cb 1.03 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1xky h VAL 169 CO 0.47 0.00 -1.29 -0.07 -1.23 0.00 0.00 177.57 175.46 1xky h LEU 170 N 0.00 0.33 -0.46 4.19 3.38 -1.99 -1.04 115.31 119.72 1xky h LEU 170 Ca 0.00 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1xky h LEU 170 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xky h LEU 170 CO 0.00 1.30 -0.20 0.71 0.09 0.00 0.00 178.44 180.34 1xky h THR 171 N 0.06 1.27 -0.48 0.22 1.35 -1.96 -2.80 112.91 110.57 1xky h THR 171 Ca -0.14 -1.36 0.07 0.00 -0.55 0.00 0.00 66.41 64.43 1xky h THR 171 Cb 1.95 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.46 1xky h THR 171 CO 0.18 0.47 0.13 0.24 -0.25 0.00 0.00 175.52 176.28 1xky h MET 172 N 0.80 0.27 -0.56 4.72 2.86 -1.47 -1.44 114.93 120.11 1xky h MET 172 Ca 0.11 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 1xky h MET 172 Cb 0.77 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.28 1xky h MET 172 CO 0.06 0.18 0.00 1.15 1.06 0.00 0.00 176.91 179.37 1xky h THR 173 N 0.28 0.56 -0.56 2.22 2.02 -1.13 0.13 112.91 116.43 1xky h THR 173 Ca 0.23 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 1xky h THR 173 Cb 0.28 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1xky h THR 173 CO -0.27 0.02 0.13 -0.08 0.37 0.00 0.00 175.52 175.69 1xky h GLU 174 N 0.12 0.89 -0.06 6.66 4.81 -1.13 0.33 114.58 126.20 1xky h GLU 174 Ca 0.29 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xky h GLU 174 Cb 0.44 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1xky h GLU 174 CO -0.47 0.84 0.04 0.82 -0.73 0.00 0.00 179.01 179.50 1xky h ILE 175 N 0.79 1.05 -0.52 2.32 2.04 -0.75 -0.14 117.51 122.30 1xky h ILE 175 Ca 0.17 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1xky h ILE 175 Cb 0.35 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1xky h ILE 175 CO 0.00 0.04 0.15 0.40 0.00 0.00 0.00 178.15 178.75 1xky h ILE 176 N 0.04 0.77 -0.17 -0.67 2.04 -0.51 -1.95 117.51 117.06 1xky h ILE 176 Ca 0.02 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1xky h ILE 176 Cb 0.04 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1xky h ILE 176 CO -0.00 0.06 0.08 -0.08 0.00 0.00 0.00 178.15 178.21 1xky h GLU 177 N 0.31 0.25 -0.01 2.37 4.81 -0.61 -3.28 114.58 118.42 1xky h GLU 177 Ca 0.25 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1xky h GLU 177 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1xky h GLU 177 CO -0.29 0.29 -0.23 1.63 -0.73 0.00 0.00 179.01 179.67 1xky n LYS 178 N -4.89 0.81 -3.87 1.92 5.02 -0.09 -4.86 118.16 112.21 1xky n LYS 178 Ca -0.04 -0.45 -0.21 0.00 -2.02 0.00 0.00 58.31 55.59 1xky n LYS 178 Cb 0.10 -1.49 -0.03 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 -2.50 3.97 0.92 -0.18 -4.23 -0.76 -4.97 115.64 107.89 1xky s THR 179 Ca 0.25 -1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 59.33 1xky s THR 179 Cb 0.19 -3.32 0.14 0.00 1.34 0.00 0.00 72.50 70.86 1xky s THR 179 CO 0.51 -0.23 1.09 0.00 -0.54 0.00 0.00 174.62 175.45 1xky s ALA 180 N -2.22 1.40 0.47 3.99 0.00 -1.26 -4.93 121.76 119.22 1xky s ALA 180 Ca 0.39 -0.13 0.22 0.00 0.00 0.00 0.00 51.96 52.44 1xky s ALA 180 Cb -0.07 -3.18 1.36 0.00 0.00 0.00 0.00 23.12 21.24 1xky s ALA 180 CO 0.27 -2.47 2.09 -0.44 0.00 0.00 0.00 175.76 175.21 1xky h ASP 181 N -1.63 0.00 -0.35 0.00 3.32 -1.98 -2.20 116.42 113.58 1xky h ASP 181 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1xky h ASP 181 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1xky h ASP 181 CO 0.55 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.28 1xky n ASP 182 N -3.99 2.38 -4.33 6.45 5.75 -1.26 -4.68 116.55 116.86 1xky n ASP 182 Ca -0.02 -2.13 -0.37 0.00 -0.01 0.00 0.00 54.79 52.26 1xky n ASP 182 Cb 0.19 -0.35 -0.13 0.00 -1.03 0.00 0.00 41.12 39.81 1xky n ASP 182 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1xky s PHE 183 N -1.61 3.11 -0.05 2.11 5.36 -0.83 -4.85 117.98 121.22 1xky s PHE 183 Ca 0.26 -0.98 -0.15 0.00 -0.96 0.00 0.00 56.93 55.10 1xky s PHE 183 Cb 0.15 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.57 1xky s PHE 183 CO 0.14 -0.56 0.39 0.00 -1.46 0.00 0.00 175.22 173.72 1xky s ALA 184 N 1.49 3.66 -0.23 11.12 0.00 -0.45 -4.81 121.76 132.54 1xky s ALA 184 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1xky s ALA 184 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1xky s ALA 184 CO 0.01 0.35 0.03 0.08 0.00 0.00 0.00 175.76 176.23 1xky s VAL 185 N -0.56 3.98 -0.07 0.00 1.01 -1.26 -1.19 120.40 122.31 1xky s VAL 185 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1xky s VAL 185 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1xky s VAL 185 CO 0.11 0.38 0.03 -0.31 0.00 0.00 0.00 175.10 175.30 1xky s TYR 186 N 1.49 3.21 0.45 5.22 2.02 0.16 -0.62 117.35 129.27 1xky s TYR 186 Ca 0.06 0.22 -0.24 0.00 -0.37 0.00 0.00 57.07 56.73 1xky s TYR 186 Cb -0.15 -1.78 -0.08 0.00 -0.40 0.00 0.00 41.96 39.56 1xky s TYR 186 CO 0.01 0.51 1.26 0.45 -1.57 0.00 0.00 175.55 176.21 1xky s SER 187 N -1.10 6.11 -0.01 2.29 0.15 -0.29 -0.79 113.70 120.06 1xky s SER 187 Ca 0.16 2.54 0.13 0.00 0.70 0.00 0.00 55.95 59.47 1xky s SER 187 Cb -0.11 -2.62 0.38 0.00 -1.71 0.00 0.00 66.02 61.95 1xky s SER 187 CO 0.05 -0.98 1.32 0.61 1.20 0.00 0.00 173.24 175.44 1xky n GLY 188 N 0.61 2.76 2.92 9.45 0.00 -0.02 -0.87 105.19 120.03 1xky n GLY 188 Ca 0.06 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 2.59 0.25 1.61 1.01 -1.26 -4.64 116.67 115.19 1xky s ASP 189 Ca 0.29 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 53.00 1xky s ASP 189 Cb 0.15 -0.93 0.44 0.00 1.01 0.00 0.00 42.92 43.60 1xky s ASP 189 CO 0.19 -0.14 1.76 0.44 0.21 0.00 0.00 175.17 177.63 1xky h ASP 190 N 8.13 0.46 -0.40 0.27 3.32 -1.91 -1.47 116.42 124.81 1xky h ASP 190 Ca -0.28 0.08 0.07 0.00 0.02 0.00 0.00 57.03 56.92 1xky h ASP 190 Cb 1.12 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1xky h ASP 190 CO 0.42 0.22 0.27 1.23 -1.72 0.00 0.00 179.24 179.67 1xky h GLY 191 N 0.59 0.29 -0.71 2.75 0.00 -1.92 -2.30 103.07 101.77 1xky h GLY 191 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1xky h GLY 191 CO -0.33 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.31 1xky n LEU 192 N -4.47 1.62 -0.09 3.11 4.77 -0.56 -4.50 117.00 116.88 1xky n LEU 192 Ca 0.05 -0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 1xky n LEU 192 Cb 0.31 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1xky n LEU 192 CO 0.35 0.32 0.57 0.74 -1.33 0.00 0.00 177.39 178.03 1xky h THR 193 N 2.27 0.10 0.93 -5.08 2.02 -1.39 0.25 112.91 112.01 1xky h THR 193 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1xky h THR 193 Cb 0.49 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xky h THR 193 CO 0.00 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.69 1xky h LEU 194 N -0.39 -1.06 -1.69 2.58 5.85 -1.83 -0.22 115.31 118.56 1xky h LEU 194 Ca 0.11 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1xky h LEU 194 Cb 0.60 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1xky h LEU 194 CO -0.53 -0.74 0.26 1.55 -0.34 0.00 0.00 178.44 178.63 1xky h PRO 195 N -1.28 0.40 -0.27 5.25 0.13 -1.83 -0.61 132.00 133.79 1xky h PRO 195 Ca -0.13 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.91 1xky h PRO 195 Cb 0.96 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1xky h PRO 195 CO 0.21 0.27 -0.10 0.00 -0.23 0.00 0.00 178.00 178.15 1xky h ALA 196 N 1.78 0.38 -0.19 -0.56 0.00 -0.35 -2.82 119.26 117.50 1xky h ALA 196 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1xky h ALA 196 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xky h ALA 196 CO -0.04 0.22 -0.17 0.52 0.00 0.00 0.00 179.25 179.79 1xky h MET 197 N 0.29 0.32 -0.40 0.00 2.86 -0.58 -1.09 114.93 116.33 1xky h MET 197 Ca 0.06 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1xky h MET 197 Cb 0.59 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1xky h MET 197 CO 0.03 0.49 0.27 0.00 1.06 0.00 0.00 176.91 178.76 1xky h ALA 198 N 1.54 1.84 -0.19 6.32 0.00 -0.91 -1.45 119.26 126.41 1xky h ALA 198 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xky h ALA 198 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xky h ALA 198 CO 0.03 0.11 0.00 1.33 0.00 0.00 0.00 179.25 180.72 1xky n VAL 199 N -4.48 0.23 0.00 0.00 0.24 -0.84 -4.94 118.33 108.54 1xky n VAL 199 Ca 0.04 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1xky n VAL 199 Cb 0.15 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.33 1.22 3.77 7.63 0.00 -0.54 -4.82 105.19 113.78 1xky n GLY 200 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 0.24 4.61 0.00 -0.47 -4.82 121.76 122.66 1xky s ALA 201 Ca 0.00 1.42 0.11 0.00 0.00 0.00 0.00 51.96 53.49 1xky s ALA 201 Cb 0.00 -3.56 0.30 0.00 0.00 0.00 0.00 23.12 19.86 1xky s ALA 201 CO 0.00 -1.03 1.57 -0.22 0.00 0.00 0.00 175.76 176.09 1xky h LYS 202 N 2.67 0.00 0.00 0.00 3.64 -1.20 -3.39 116.57 118.29 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 0.65 0.00 0.41 -2.27 0.00 0.00 179.45 178.87 1xky n GLY 203 N 0.41 -0.69 3.06 5.01 0.00 -1.26 -4.58 105.19 107.15 1xky n GLY 203 Ca -0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.70 1.00 -0.38 -0.61 1.10 -0.09 -1.13 121.20 117.39 1xky s ILE 204 Ca 0.00 -0.51 -0.19 0.00 -0.51 0.00 0.00 60.65 59.44 1xky s ILE 204 Cb 0.00 -0.86 0.01 0.00 0.15 0.00 0.00 42.46 41.76 1xky s ILE 204 CO 0.00 0.29 0.56 -0.69 -2.11 0.00 0.00 174.94 172.99 1xky s VAL 205 N -0.06 4.95 0.05 4.00 1.01 -0.05 -1.77 120.40 128.54 1xky s VAL 205 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1xky s VAL 205 Cb -0.07 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1xky s VAL 205 CO 0.00 -0.36 -0.13 -0.55 0.00 0.00 0.00 175.10 174.06 1xky s SER 206 N 1.84 4.19 -0.26 3.32 0.15 0.14 -4.52 113.70 118.57 1xky s SER 206 Ca 0.20 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1xky s SER 206 Cb -0.15 -0.80 -0.16 0.00 -1.71 0.00 0.00 66.02 63.20 1xky s SER 206 CO 0.15 0.24 -0.23 0.52 1.20 0.00 0.00 173.24 175.11 1xky n VAL 207 N 1.27 1.47 0.31 4.45 0.31 -1.26 -0.75 118.33 124.13 1xky n VAL 207 Ca -0.15 -0.55 0.20 0.00 -0.01 0.00 0.00 64.34 63.82 1xky n VAL 207 Cb 0.52 -1.43 1.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 -0.06 1.08 0.00 3.52 0.00 -1.96 -2.58 119.26 119.25 1xky h ALA 208 Ca -0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xky h ALA 208 Cb 1.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1xky h ALA 208 CO -0.11 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.82 1xky h SER 209 N 0.00 0.00 -0.22 0.00 4.64 -1.86 -0.13 113.55 115.97 1xky h SER 209 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1xky h SER 209 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1xky h SER 209 CO 0.00 0.00 0.15 0.45 -0.87 0.00 0.00 176.83 176.56 1xky h HIS 210 N 0.00 0.27 0.00 4.77 3.86 -1.79 -3.05 115.15 119.22 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 0.01 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1xky h HIS 210 CO 0.00 0.17 -0.93 1.33 0.86 0.00 0.00 177.93 179.36 1xky n VAL 211 N -4.50 0.00 -2.45 2.45 0.24 -0.41 -4.82 118.33 108.84 1xky n VAL 211 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 1xky n VAL 211 Cb 0.08 -0.21 0.05 0.00 -1.47 0.00 0.00 33.84 32.29 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 -1.64 1.65 -0.32 1.34 -5.35 -0.20 -4.91 119.36 109.94 1xky n ILE 212 Ca 0.00 -3.21 -0.02 0.00 -0.27 0.00 0.00 62.75 59.25 1xky n ILE 212 Cb 0.23 0.33 0.10 0.00 -1.74 0.00 0.00 39.64 38.56 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 2.21 1.25 0.96 3.28 0.00 -1.69 -1.10 103.07 107.98 1xky h GLY 213 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1xky h GLY 213 CO 0.36 0.39 0.19 3.43 0.00 0.00 0.00 176.54 180.92 1xky h ASN 214 N 1.12 0.57 -0.61 0.19 2.35 -1.86 -1.77 115.58 115.57 1xky h ASN 214 Ca 0.34 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1xky h ASN 214 Cb -0.04 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1xky h ASN 214 CO -0.10 0.55 0.26 -0.33 -1.65 0.00 0.00 177.43 176.16 1xky h GLU 215 N 0.55 0.94 -0.34 0.81 3.07 -1.83 -0.66 114.58 117.12 1xky h GLU 215 Ca 0.15 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1xky h GLU 215 Cb 0.14 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1xky h GLU 215 CO -0.02 0.77 0.15 0.52 -1.40 0.00 0.00 179.01 179.03 1xky h MET 216 N 0.93 0.50 -0.64 2.33 2.86 -1.04 -0.35 114.93 119.51 1xky h MET 216 Ca 0.22 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1xky h MET 216 Cb 0.18 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1xky h MET 216 CO -0.02 0.47 0.14 1.96 1.06 0.00 0.00 176.91 180.51 1xky h GLN 217 N 0.41 1.03 -0.71 1.72 1.08 -0.99 -1.55 115.11 116.10 1xky h GLN 217 Ca 0.12 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1xky h GLN 217 Cb 0.14 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1xky h GLN 217 CO -0.01 0.93 0.43 1.49 -0.95 0.00 0.00 178.83 180.71 1xky h GLU 218 N 0.98 0.80 -0.17 1.46 4.81 -0.99 -0.79 114.58 120.66 1xky h GLU 218 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1xky h GLU 218 Cb 0.37 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1xky h GLU 218 CO 0.00 0.53 0.09 1.98 -0.73 0.00 0.00 179.01 180.89 1xky h MET 219 N 0.82 0.24 -0.71 1.92 4.05 -0.64 -1.08 114.93 119.53 1xky h MET 219 Ca 0.30 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1xky h MET 219 Cb 0.08 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1xky h MET 219 CO -0.14 0.24 0.36 0.82 0.23 0.00 0.00 176.91 178.42 1xky h ILE 220 N 0.18 1.23 -0.30 1.77 2.04 -1.03 0.05 117.51 121.46 1xky h ILE 220 Ca 0.06 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1xky h ILE 220 Cb 0.07 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1xky h ILE 220 CO -0.01 0.27 0.02 0.00 0.00 0.00 0.00 178.15 178.43 1xky h ALA 221 N 1.18 0.40 -0.36 1.87 0.00 -1.06 -1.28 119.26 119.99 1xky h ALA 221 Ca 0.25 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xky h ALA 221 Cb 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xky h ALA 221 CO -0.03 0.12 0.14 0.00 0.00 0.00 0.00 179.25 179.48 1xky h ALA 222 N 0.85 0.43 0.14 0.00 0.00 -1.04 -1.15 119.26 118.50 1xky h ALA 222 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xky h ALA 222 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xky h ALA 222 CO 0.01 -0.25 -0.14 0.35 0.00 0.00 0.00 179.25 179.23 1xky h PHE 223 N 0.30 -0.35 -0.06 0.00 3.57 -0.91 0.22 116.94 119.72 1xky h PHE 223 Ca 0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1xky h PHE 223 Cb 0.12 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1xky h PHE 223 CO -0.13 -0.21 0.01 1.96 -2.23 0.00 0.00 178.31 177.71 1xky h GLN 224 N -0.30 0.08 -0.29 1.11 4.20 -1.06 -0.46 115.11 118.38 1xky h GLN 224 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xky h GLN 224 Cb 0.29 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1xky h GLN 224 CO -0.03 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 1xky n ALA 225 N -2.53 2.46 -1.47 3.87 0.00 -0.45 -4.92 120.51 117.47 1xky n ALA 225 Ca -0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1xky n ALA 225 Cb 0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 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 0.95 1.18 3.19 0.00 0.00 -0.18 -4.94 105.19 105.39 1xky n GLY 226 Ca 0.10 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.58 3.60 0.03 1.61 1.02 0.77 -4.86 120.64 120.22 1xky n GLU 227 Ca -0.13 -3.87 -0.09 0.00 -0.02 0.00 0.00 57.16 53.05 1xky n GLU 227 Cb 0.44 -2.89 0.06 0.00 -0.02 0.00 0.00 31.44 29.03 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 6.40 0.61 -0.63 -0.32 0.04 -1.90 -1.63 116.94 119.51 1xky h PHE 228 Ca 0.32 -0.23 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1xky h PHE 228 Cb 0.76 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 1xky h PHE 228 CO 1.11 0.96 0.17 0.87 -0.60 0.00 0.00 178.31 180.82 1xky h LYS 229 N 0.36 0.99 -0.02 1.51 1.79 -1.96 0.19 116.57 119.43 1xky h LYS 229 Ca -0.00 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1xky h LYS 229 Cb 1.15 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1xky h LYS 229 CO 0.11 0.89 0.01 -0.22 -1.08 0.00 0.00 179.45 179.15 1xky h LYS 230 N 0.91 0.04 -0.57 3.15 3.64 -1.92 -2.47 116.57 119.35 1xky h LYS 230 Ca 0.20 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1xky h LYS 230 Cb 0.33 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1xky h LYS 230 CO -0.00 0.24 0.36 0.00 -2.27 0.00 0.00 179.45 177.78 1xky h ALA 231 N 0.80 0.73 -0.69 5.00 0.00 -1.18 -2.34 119.26 121.57 1xky h ALA 231 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xky h ALA 231 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xky h ALA 231 CO -0.00 0.12 0.33 1.96 0.00 0.00 0.00 179.25 181.66 1xky h GLN 232 N 0.73 0.98 -0.37 0.00 4.20 -0.96 0.26 115.11 119.95 1xky h GLN 232 Ca 0.22 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1xky h GLN 232 Cb -0.04 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1xky h GLN 232 CO -0.07 0.76 0.01 -0.22 -0.67 0.00 0.00 178.83 178.64 1xky h LYS 233 N 0.98 0.65 -0.30 1.46 3.64 -1.15 -0.81 116.57 121.03 1xky h LYS 233 Ca 0.24 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1xky h LYS 233 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1xky h LYS 233 CO -0.03 0.75 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.47 1xky h LEU 234 N 0.47 0.71 -0.32 5.20 3.38 -1.18 -2.60 115.31 120.97 1xky h LEU 234 Ca 0.11 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1xky h LEU 234 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1xky h LEU 234 CO 0.02 1.00 0.12 -0.74 0.09 0.00 0.00 178.44 178.93 1xky h HIS 235 N 0.57 0.22 -0.99 1.13 2.76 -0.32 0.59 115.15 119.10 1xky h HIS 235 Ca 0.06 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.30 1xky h HIS 235 Cb 0.87 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.72 1xky h HIS 235 CO 0.04 0.10 0.64 1.96 -1.30 0.00 0.00 177.93 179.37 1xky h GLN 236 N 0.26 1.14 -0.20 5.26 4.20 -1.04 -0.48 115.11 124.25 1xky h GLN 236 Ca 0.14 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1xky h GLN 236 Cb 0.10 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1xky h GLN 236 CO -0.14 0.75 0.08 1.25 -0.67 0.00 0.00 178.83 180.10 1xky h LEU 237 N 1.17 0.27 -0.46 1.46 5.85 -1.04 -2.22 115.31 120.34 1xky h LEU 237 Ca 0.42 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1xky h LEU 237 Cb 0.14 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1xky h LEU 237 CO -0.16 0.36 0.22 0.25 -0.34 0.00 0.00 178.44 178.76 1xky h LEU 238 N 0.16 0.30 -0.50 2.25 5.85 -0.20 -0.46 115.31 122.71 1xky h LEU 238 Ca 0.07 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1xky h LEU 238 Cb 0.18 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1xky h LEU 238 CO -0.01 0.21 0.32 0.58 -0.34 0.00 0.00 178.44 179.21 1xky h VAL 239 N 0.43 1.13 -0.31 1.05 2.07 -1.08 0.09 116.25 119.64 1xky h VAL 239 Ca 0.20 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1xky h VAL 239 Cb 0.13 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1xky h VAL 239 CO -0.15 0.13 -0.09 -0.09 0.02 0.00 0.00 177.57 177.39 1xky h ARG 240 N 0.68 0.61 -0.34 1.57 2.43 -0.99 -1.95 114.38 116.38 1xky h ARG 240 Ca 0.18 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1xky h ARG 240 Cb -0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1xky h ARG 240 CO -0.04 0.80 -0.15 0.28 -1.51 0.00 0.00 179.97 179.36 1xky h VAL 241 N 0.38 1.29 -0.37 0.20 2.07 -1.00 -2.87 116.25 115.95 1xky h VAL 241 Ca 0.08 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1xky h VAL 241 Cb 0.59 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1xky h VAL 241 CO 0.03 0.41 0.16 0.74 0.02 0.00 0.00 177.57 178.93 1xky h THR 242 N 0.48 0.94 -0.86 2.57 2.02 -0.92 -2.59 112.91 114.55 1xky h THR 242 Ca 0.08 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1xky h THR 242 Cb 0.68 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1xky h THR 242 CO 0.05 0.06 0.56 0.44 0.37 0.00 0.00 175.52 177.00 1xky h ASP 243 N 0.33 1.00 0.29 4.18 3.32 -1.29 -1.23 116.42 123.03 1xky h ASP 243 Ca 0.16 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1xky h ASP 243 Cb 0.10 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1xky h ASP 243 CO -0.14 0.74 -0.14 0.77 -1.72 0.00 0.00 179.24 178.75 1xky h SER 244 N 1.18 0.00 0.74 6.45 4.64 -1.25 -2.53 113.55 122.77 1xky h SER 244 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1xky h SER 244 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1xky h SER 244 CO -0.07 0.14 -0.10 0.18 -0.87 0.00 0.00 176.83 176.11 1xky n LEU 245 N -3.85 0.16 -0.06 5.97 4.32 -0.47 -3.78 117.00 119.30 1xky n LEU 245 Ca -0.02 0.30 0.04 0.00 -0.02 0.00 0.00 56.01 56.30 1xky n LEU 245 Cb 0.24 -0.37 0.05 0.00 -1.62 0.00 0.00 43.42 41.71 1xky n LEU 245 CO 0.32 0.04 0.49 0.49 -1.22 0.00 0.00 177.39 177.50 1xky n PHE 246 N -1.38 0.00 0.17 -1.77 3.72 -0.97 -4.48 117.46 112.75 1xky n PHE 246 Ca 0.09 -0.60 0.03 0.00 -0.05 0.00 0.00 57.45 56.93 1xky n PHE 246 Cb 0.31 -0.08 0.25 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 -6.20 -1.08 2.86 -1.63 -3.43 114.93 105.46 1xky h MET 247 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1xky h MET 247 Cb 0.78 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.33 1xky h MET 247 CO 0.00 0.47 -0.67 0.00 1.06 0.00 0.00 176.91 177.77 1xky s ALA 248 N -3.52 3.06 0.03 6.32 0.00 -1.26 -5.08 121.76 121.30 1xky s ALA 248 Ca 0.00 -1.73 -0.35 0.00 0.00 0.00 0.00 51.96 49.88 1xky s ALA 248 Cb 0.11 -0.62 -0.14 0.00 0.00 0.00 0.00 23.12 22.47 1xky s ALA 248 CO 0.71 0.26 1.64 -2.30 0.00 0.00 0.00 175.76 176.08 1xky n PRO 249 N -0.83 1.89 -2.17 0.00 -0.02 -1.26 -4.71 135.00 127.90 1xky n PRO 249 Ca -0.06 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1xky n PRO 249 Cb 0.59 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.04 6.84 -0.18 2.55 0.15 -1.26 -1.81 113.70 122.02 1xky s SER 250 Ca 0.86 2.50 0.17 0.00 0.70 0.00 0.00 55.95 60.18 1xky s SER 250 Cb -0.77 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 61.45 1xky s SER 250 CO 0.46 -0.55 1.42 -0.81 1.20 0.00 0.00 173.24 174.96 1xky n PRO 251 N 2.18 2.85 -0.16 5.44 -0.04 -1.26 -4.91 135.00 139.10 1xky n PRO 251 Ca 0.05 -2.85 -0.08 0.00 -0.04 0.00 0.00 63.50 60.58 1xky n PRO 251 Cb 0.42 -1.84 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 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 1.73 1.18 -0.04 0.52 2.02 -1.67 -1.52 112.91 115.13 1xky h THR 252 Ca 0.01 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1xky h THR 252 Cb 1.45 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1xky h THR 252 CO 0.23 0.20 0.00 -0.65 0.37 0.00 0.00 175.52 175.67 1xky h PRO 253 N 0.60 0.02 -0.19 6.66 0.11 -1.79 -2.19 132.00 135.22 1xky h PRO 253 Ca 0.16 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1xky h PRO 253 Cb 0.11 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1xky h PRO 253 CO -0.02 0.01 -0.15 -0.24 -0.21 0.00 0.00 178.00 177.39 1xky h VAL 254 N 0.02 1.20 -0.64 3.15 3.04 -1.69 0.17 116.25 121.50 1xky h VAL 254 Ca 0.02 -0.91 -0.05 0.00 -1.01 0.00 0.00 66.70 64.75 1xky h VAL 254 Cb 0.02 1.23 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 1xky h VAL 254 CO -0.03 0.29 0.20 0.11 -1.01 0.00 0.00 177.57 177.13 1xky h LYS 255 N 0.29 0.97 -0.21 4.17 1.57 -1.18 -0.37 116.57 121.81 1xky h LYS 255 Ca 0.06 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 58.44 1xky h LYS 255 Cb 0.44 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1xky h LYS 255 CO 0.03 0.83 -0.69 1.15 -0.57 0.00 0.00 179.45 180.20 1xky h THR 256 N 0.94 1.28 -0.44 -0.16 2.02 -0.64 -2.86 112.91 113.05 1xky h THR 256 Ca 0.21 -1.88 -0.09 0.00 0.77 0.00 0.00 66.41 65.42 1xky h THR 256 Cb 0.27 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1xky h THR 256 CO -0.01 0.60 -0.10 0.00 0.37 0.00 0.00 175.52 176.39 1xky h ALA 257 N 0.63 1.00 -0.25 6.16 0.00 -0.51 -0.81 119.26 125.48 1xky h ALA 257 Ca -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1xky h ALA 257 Cb 1.31 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1xky h ALA 257 CO 0.14 0.60 -0.02 -0.07 0.00 0.00 0.00 179.25 179.90 1xky h LEU 258 N 0.71 -0.14 -1.36 0.00 3.38 -1.09 -1.84 115.31 114.97 1xky h LEU 258 Ca 0.12 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1xky h LEU 258 Cb 0.58 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1xky h LEU 258 CO 0.04 -0.04 0.23 -0.61 0.09 0.00 0.00 178.44 178.14 1xky h GLN 259 N 0.05 0.66 -0.45 1.13 -0.00 -1.05 0.13 115.11 115.58 1xky h GLN 259 Ca 0.12 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1xky h GLN 259 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.49 1xky h GLN 259 CO -0.22 0.52 0.14 0.52 0.00 0.00 0.00 178.83 179.79 1xky h MET 260 N 0.67 0.66 -0.63 1.69 2.86 -0.74 -2.42 114.93 117.01 1xky h MET 260 Ca 0.17 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1xky h MET 260 Cb 0.08 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1xky h MET 260 CO -0.02 0.57 0.00 1.33 1.06 0.00 0.00 176.91 179.85 1xky n VAL 261 N -4.33 1.44 -0.66 -2.22 0.24 -0.69 -4.94 118.33 107.16 1xky n VAL 261 Ca 0.03 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1xky n VAL 261 Cb 0.18 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.90 0.60 3.04 7.63 0.00 -0.74 -5.03 105.19 111.60 1xky n GLY 262 Ca 0.20 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1xky n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xky s LEU 263 N 0.00 4.87 -0.04 0.99 1.43 0.39 -4.97 118.68 121.35 1xky s LEU 263 Ca 0.00 -2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 50.10 1xky s LEU 263 Cb 0.00 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1xky s LEU 263 CO 0.00 -0.35 1.32 -0.62 0.23 0.00 0.00 176.35 176.93 1xky s ASP 264 N 0.55 6.93 -0.11 2.29 -1.08 -1.26 -1.95 116.67 122.04 1xky s ASP 264 Ca 0.15 1.96 0.16 0.00 -0.52 0.00 0.00 52.55 54.30 1xky s ASP 264 Cb -0.22 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 38.93 1xky s ASP 264 CO -0.03 -0.67 1.13 1.33 0.52 0.00 0.00 175.17 177.45 1xky n VAL 265 N 4.73 1.60 -4.38 1.11 0.24 -1.26 -4.97 118.33 115.40 1xky n VAL 265 Ca 0.12 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.47 1xky n VAL 265 Cb 0.45 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.19 -1.19 0.00 7.63 0.00 -1.23 -1.63 105.19 107.58 1xky n GLY 266 Ca 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.79 0.24 -4.32 1.61 2.88 -1.26 -4.81 113.62 107.16 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 2.24 1.63 0.05 2.46 -7.23 -1.26 -4.68 120.40 113.61 1xky s VAL 268 Ca 0.00 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 1xky s VAL 268 Cb 0.00 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 1xky s VAL 268 CO 0.00 -0.58 0.40 -0.13 -0.31 0.00 0.00 175.10 174.49 1xky s ARG 269 N -3.50 3.82 0.22 4.82 0.52 -1.26 -4.80 118.95 118.78 1xky s ARG 269 Ca 0.20 0.28 -0.32 0.00 -0.52 0.00 0.00 55.73 55.37 1xky s ARG 269 Cb -0.01 -3.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.24 1xky s ARG 269 CO 0.06 0.61 1.41 1.28 0.02 0.00 0.00 175.30 178.68 1xky n LEU 270 N 1.29 2.97 -1.38 2.53 4.77 -1.26 -1.01 117.00 124.91 1xky n LEU 270 Ca -0.11 1.13 0.09 0.00 -0.03 0.00 0.00 56.01 57.10 1xky n LEU 270 Cb 0.52 -1.41 0.31 0.00 -2.33 0.00 0.00 43.42 40.52 1xky n LEU 270 CO 0.40 -0.53 0.76 -0.81 -1.33 0.00 0.00 177.39 175.88 1xky n PRO 271 N 2.17 3.18 -3.02 3.23 -0.04 -1.26 -4.94 135.00 134.33 1xky n PRO 271 Ca 0.13 -2.48 -0.32 0.00 -0.04 0.00 0.00 63.50 60.78 1xky n PRO 271 Cb 0.30 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.50 3.99 0.12 1.53 1.43 -0.18 -5.09 118.68 118.99 1xky s LEU 272 Ca 0.45 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 54.95 1xky s LEU 272 Cb 0.27 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1xky s LEU 272 CO 0.24 -0.27 -0.13 -0.76 0.23 0.00 0.00 176.35 175.66 1xky s LEU 273 N -3.16 2.43 0.65 1.79 1.43 -1.26 -4.42 118.68 116.14 1xky s LEU 273 Ca 0.56 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 1xky s LEU 273 Cb -0.10 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1xky s LEU 273 CO 0.19 -0.20 0.82 -2.65 0.23 0.00 0.00 176.35 174.74 1xky n PRO 274 N 0.39 0.62 -1.75 1.29 -0.02 -1.26 -4.91 135.00 129.35 1xky n PRO 274 Ca -0.14 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 1xky n PRO 274 Cb 0.58 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.78 5.16 -4.69 2.45 4.32 -1.26 -5.02 117.00 117.18 1xky n LEU 275 Ca 0.13 1.08 -0.29 0.00 -0.02 0.00 0.00 56.01 56.91 1xky n LEU 275 Cb 0.49 -1.59 0.16 0.00 -1.62 0.00 0.00 43.42 40.86 1xky n LEU 275 CO 0.49 -0.29 0.65 0.42 -1.22 0.00 0.00 177.39 177.45 1xky s THR 276 N -1.22 2.24 0.14 -5.08 -4.23 -1.26 -4.80 115.64 101.43 1xky s THR 276 Ca 0.64 0.08 -0.16 0.00 -1.18 0.00 0.00 61.69 61.06 1xky s THR 276 Cb -0.44 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 1xky s THR 276 CO 0.56 -0.10 1.74 -0.08 -0.54 0.00 0.00 174.62 176.20 1xky h GLU 277 N -1.79 0.54 -0.67 3.99 4.57 -1.99 -0.18 114.58 119.05 1xky h GLU 277 Ca -0.53 -0.06 0.10 0.00 -1.18 0.00 0.00 59.36 57.69 1xky h GLU 277 Cb 1.32 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.72 1xky h GLU 277 CO 0.57 0.44 0.28 0.93 -1.18 0.00 0.00 179.01 180.05 1xky h GLU 278 N 0.50 0.46 -0.63 1.92 5.08 -2.00 -1.23 114.58 118.68 1xky h GLU 278 Ca 0.14 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1xky h GLU 278 Cb 0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xky h GLU 278 CO -0.02 0.30 0.07 0.93 -1.00 0.00 0.00 179.01 179.29 1xky h GLU 279 N 0.47 1.06 -0.65 2.33 5.08 -1.81 -2.13 114.58 118.92 1xky h GLU 279 Ca 0.34 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1xky h GLU 279 Cb 0.43 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1xky h GLU 279 CO -0.32 1.00 0.13 -0.09 -1.00 0.00 0.00 179.01 178.73 1xky h ARG 280 N 0.97 1.07 -0.32 2.33 2.43 -0.56 -1.91 114.38 118.37 1xky h ARG 280 Ca 0.19 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1xky h ARG 280 Cb 0.47 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1xky h ARG 280 CO 0.02 0.97 0.14 0.28 -1.51 0.00 0.00 179.97 179.87 1xky h VAL 281 N 0.99 1.17 -0.25 0.20 2.07 -1.12 -0.45 116.25 118.86 1xky h VAL 281 Ca 0.20 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1xky h VAL 281 Cb 0.41 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1xky h VAL 281 CO 0.01 0.18 0.00 0.74 0.02 0.00 0.00 177.57 178.52 1xky h THR 282 N 0.37 0.82 -0.30 2.57 2.02 -1.26 -2.33 112.91 114.81 1xky h THR 282 Ca 0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1xky h THR 282 Cb 0.15 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1xky h THR 282 CO -0.01 0.01 0.03 0.25 0.37 0.00 0.00 175.52 176.17 1xky h LEU 283 N 0.08 0.50 -0.82 2.58 5.85 -1.22 -3.00 115.31 119.28 1xky h LEU 283 Ca 0.12 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1xky h LEU 283 Cb 0.15 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1xky h LEU 283 CO -0.20 0.66 0.45 -0.61 -0.34 0.00 0.00 178.44 178.40 1xky h GLN 284 N 0.32 0.73 -0.63 1.25 4.15 -0.95 -0.62 115.11 119.36 1xky h GLN 284 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1xky h GLN 284 Cb 0.39 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1xky h GLN 284 CO 0.01 0.48 0.39 0.77 -1.93 0.00 0.00 178.83 178.55 1xky h SER 285 N 0.75 0.74 -0.38 -0.69 0.02 -1.29 -0.54 113.55 112.16 1xky h SER 285 Ca 0.40 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1xky h SER 285 Cb 0.41 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1xky h SER 285 CO -0.27 0.57 0.11 0.58 -1.14 0.00 0.00 176.83 176.68 1xky h VAL 286 N 0.85 1.22 -0.75 2.27 2.07 -1.19 -2.39 116.25 118.33 1xky h VAL 286 Ca 0.23 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1xky h VAL 286 Cb -0.05 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1xky h VAL 286 CO -0.04 0.25 0.31 0.24 0.02 0.00 0.00 177.57 178.35 1xky h MET 287 N 0.46 1.11 0.00 1.57 2.07 -0.84 -2.39 114.93 116.92 1xky h MET 287 Ca 0.12 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1xky h MET 287 Cb 0.28 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 1xky h MET 287 CO -0.00 0.91 0.00 0.00 1.07 0.00 0.00 176.91 178.88 1xky n GLN 288 N -4.34 0.21 0.00 1.72 10.64 -0.24 -2.91 117.38 122.47 1xky n GLN 288 Ca 0.06 0.25 0.14 0.00 -1.83 0.00 0.00 57.00 55.62 1xky n GLN 288 Cb 0.17 -1.78 0.54 0.00 -0.86 0.00 0.00 30.24 28.31 1xky n GLN 288 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1xky n SER 289 N -2.16 0.14 -4.66 2.61 3.41 -0.90 -4.86 113.62 107.20 1xky n SER 289 Ca 0.05 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 1xky n SER 289 Cb 0.36 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.96 3.66 -0.16 -1.33 1.01 -1.15 -4.96 121.20 115.32 1xky s ILE 290 Ca 0.15 0.84 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 1xky s ILE 290 Cb 0.19 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1xky s ILE 290 CO 0.56 -0.06 1.65 -2.84 0.00 0.00 0.00 174.94 174.25 1xky s PRO 291 N 3.75 3.92 0.00 2.79 0.02 -1.26 -5.10 135.00 139.11 1xky s PRO 291 Ca 0.70 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1xky s PRO 291 Cb -0.32 -4.03 0.00 0.00 0.02 0.00 0.00 34.50 30.17 1xky s PRO 291 CO 0.27 -1.16 0.30 0.54 -0.33 0.00 0.00 177.00 176.63