#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl9 s ILE 2 N 0.00 0.01 -0.18 1.12 2.07 -1.26 -5.12 121.20 117.83 1xl9 s ILE 2 Ca 0.00 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1xl9 s ILE 2 Cb 0.00 -0.94 0.04 0.00 0.13 0.00 0.00 42.46 41.69 1xl9 s ILE 2 CO 0.00 -0.03 -0.09 -0.62 -1.91 0.00 0.00 174.94 172.29 1xl9 s ASP 3 N -0.93 3.12 0.00 4.50 2.15 -1.26 -4.99 116.67 119.26 1xl9 s ASP 3 Ca -0.09 -0.77 0.24 0.00 0.43 0.00 0.00 52.55 52.36 1xl9 s ASP 3 Cb -0.01 -1.12 0.31 0.00 -0.30 0.00 0.00 42.92 41.80 1xl9 s ASP 3 CO 0.08 -0.15 1.28 0.49 -0.17 0.00 0.00 175.17 176.70 1xl9 n PHE 4 N 4.76 0.00 -2.79 -5.34 3.72 -1.26 -4.75 117.46 111.79 1xl9 n PHE 4 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1xl9 n PHE 4 Cb 0.47 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1xl9 n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xl9 n GLY 5 N 1.46 -1.80 0.07 1.37 0.00 -1.26 -3.22 105.19 101.81 1xl9 n GLY 5 Ca 0.07 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.63 1xl9 n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl9 n THR 6 N 0.00 0.39 -3.47 2.61 -2.24 -1.26 -4.67 114.28 105.64 1xl9 n THR 6 Ca 0.00 -0.46 -0.26 0.00 -2.27 0.00 0.00 64.05 61.06 1xl9 n THR 6 Cb 0.00 -0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.96 1xl9 n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xl9 s ILE 7 N -3.34 -0.07 0.34 2.28 1.01 -1.26 -0.69 121.20 119.47 1xl9 s ILE 7 Ca -0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 1xl9 s ILE 7 Cb 0.12 -0.99 -0.07 0.00 0.01 0.00 0.00 42.46 41.52 1xl9 s ILE 7 CO 0.81 -0.78 0.69 0.00 0.00 0.00 0.00 174.94 175.66 1xl9 s ALA 8 N 1.66 3.42 -0.09 9.38 0.00 -0.06 0.10 121.76 136.17 1xl9 s ALA 8 Ca 0.13 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1xl9 s ALA 8 Cb -0.18 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.34 1xl9 s ALA 8 CO -0.18 0.19 -0.15 0.99 0.00 0.00 0.00 175.76 176.61 1xl9 s THR 9 N -2.15 1.42 -1.05 0.00 2.01 -0.13 -0.77 115.64 114.97 1xl9 s THR 9 Ca 0.50 -0.62 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 1xl9 s THR 9 Cb -0.10 -1.29 0.09 0.00 0.01 0.00 0.00 72.50 71.20 1xl9 s THR 9 CO 0.26 0.42 1.39 0.00 -0.69 0.00 0.00 174.62 176.00 1xl9 s ALA 10 N 0.82 3.15 0.08 7.40 0.00 -0.15 -0.14 121.76 132.92 1xl9 s ALA 10 Ca -0.10 -2.64 -0.31 0.00 0.00 0.00 0.00 51.96 48.91 1xl9 s ALA 10 Cb -0.15 -4.35 -0.07 0.00 0.00 0.00 0.00 23.12 18.54 1xl9 s ALA 10 CO 0.01 -3.28 1.38 1.41 0.00 0.00 0.00 175.76 175.29 1xl9 s MET 11 N 3.77 4.32 0.92 0.00 1.75 -0.68 -4.68 119.30 124.71 1xl9 s MET 11 Ca 0.43 2.03 -0.10 0.00 -1.25 0.00 0.00 55.69 56.80 1xl9 s MET 11 Cb -0.01 -3.35 0.15 0.00 2.84 0.00 0.00 34.83 34.46 1xl9 s MET 11 CO -0.06 -0.46 1.15 0.14 -0.65 0.00 0.00 175.02 175.13 1xl9 s VAL 12 N 1.46 2.00 -0.36 10.11 -7.23 -1.26 -2.86 120.40 122.26 1xl9 s VAL 12 Ca 0.64 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.75 1xl9 s VAL 12 Cb -0.35 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 34.64 1xl9 s VAL 12 CO 0.29 -0.00 0.14 -0.89 -0.31 0.00 0.00 175.10 174.33 1xl9 s THR 13 N -2.64 3.79 0.11 5.32 2.01 -1.26 -4.81 115.64 118.16 1xl9 s THR 13 Ca 0.67 -1.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1xl9 s THR 13 Cb -0.23 -3.23 -0.10 0.00 0.01 0.00 0.00 72.50 68.95 1xl9 s THR 13 CO 0.58 -0.29 1.87 -2.65 -0.69 0.00 0.00 174.62 173.44 1xl9 n PRO 14 N 4.80 2.83 -4.06 4.92 -0.02 -1.26 -4.96 135.00 137.25 1xl9 n PRO 14 Ca -0.11 1.03 -0.31 0.00 -2.02 0.00 0.00 63.50 62.09 1xl9 n PRO 14 Cb 0.44 -2.94 -0.07 0.00 -0.02 0.00 0.00 33.50 30.91 1xl9 n PRO 14 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1xl9 s PHE 15 N 3.04 3.20 0.27 6.00 2.99 -0.89 -0.66 117.98 131.92 1xl9 s PHE 15 Ca 0.83 0.09 -0.03 0.00 0.00 0.00 0.00 56.93 57.82 1xl9 s PHE 15 Cb -0.47 -1.63 0.06 0.00 0.00 0.00 0.00 43.02 40.98 1xl9 s PHE 15 CO 0.38 0.52 0.37 -0.40 -0.00 0.00 0.00 175.22 176.09 1xl9 n ASP 16 N 0.56 0.20 0.07 1.36 5.68 0.21 -3.50 116.55 121.14 1xl9 n ASP 16 Ca -0.09 -1.24 0.02 0.00 -0.50 0.00 0.00 54.79 52.98 1xl9 n ASP 16 Cb 0.52 -0.26 0.37 0.00 -1.14 0.00 0.00 41.12 40.61 1xl9 n ASP 16 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xl9 h ILE 17 N -0.89 1.17 -0.19 2.12 2.10 -2.00 -0.06 117.51 119.75 1xl9 h ILE 17 Ca -0.12 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.13 1xl9 h ILE 17 Cb 0.37 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 1xl9 h ILE 17 CO 0.10 0.23 0.00 0.59 -1.08 0.00 0.00 178.15 177.99 1xl9 n ASN 18 N -4.31 1.71 0.00 2.19 5.03 -1.26 -4.93 115.26 113.69 1xl9 n ASN 18 Ca 0.00 -1.75 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1xl9 n ASN 18 Cb 0.23 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 1xl9 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xl9 n GLY 19 N 1.13 0.75 3.94 7.41 0.00 -0.04 -5.07 105.19 113.31 1xl9 n GLY 19 Ca 0.16 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xl9 n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xl9 s ASN 20 N -2.14 6.34 0.21 1.61 -0.87 -1.26 -4.76 114.94 114.07 1xl9 s ASN 20 Ca 0.00 0.37 -0.32 0.00 -1.57 0.00 0.00 52.86 51.33 1xl9 s ASN 20 Cb 0.00 -1.99 -0.13 0.00 -0.02 0.00 0.00 41.25 39.11 1xl9 s ASN 20 CO 0.00 -0.14 1.57 -0.38 -2.57 0.00 0.00 177.10 175.58 1xl9 n ILE 21 N -1.20 0.38 -3.35 0.60 5.41 -1.26 0.67 119.36 120.62 1xl9 n ILE 21 Ca -0.05 -0.09 -0.46 0.00 1.00 0.00 0.00 62.75 63.15 1xl9 n ILE 21 Cb 0.55 -1.67 -0.05 0.00 -0.71 0.00 0.00 39.64 37.76 1xl9 n ILE 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xl9 s ASP 22 N 0.75 6.25 0.34 4.38 -1.08 0.16 -4.67 116.67 122.79 1xl9 s ASP 22 Ca 0.73 -2.02 0.16 0.00 -0.52 0.00 0.00 52.55 50.90 1xl9 s ASP 22 Cb -0.61 -2.18 0.55 0.00 -1.46 0.00 0.00 42.92 39.21 1xl9 s ASP 22 CO 0.41 -0.77 1.68 -0.26 0.52 0.00 0.00 175.17 176.75 1xl9 h PHE 23 N 8.57 0.00 -0.03 -5.34 -1.00 -1.93 -0.83 116.94 116.38 1xl9 h PHE 23 Ca -0.20 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.34 1xl9 h PHE 23 Cb 1.08 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.65 1xl9 h PHE 23 CO 0.79 0.47 -0.94 0.00 -1.61 0.00 0.00 178.31 177.01 1xl9 h ALA 24 N 1.53 0.29 0.00 2.45 0.00 -1.98 -2.24 119.26 119.31 1xl9 h ALA 24 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.11 1xl9 h ALA 24 Cb 0.98 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1xl9 h ALA 24 CO 0.06 0.74 -0.51 -0.22 0.00 0.00 0.00 179.25 179.32 1xl9 h LYS 25 N 0.34 0.00 -0.67 0.00 1.63 -1.91 -2.43 116.57 113.53 1xl9 h LYS 25 Ca -0.09 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 1xl9 h LYS 25 Cb 1.58 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.18 1xl9 h LYS 25 CO 0.18 0.51 0.21 1.15 -3.45 0.00 0.00 179.45 178.05 1xl9 h THR 26 N 0.00 1.25 -0.06 1.00 2.02 -1.06 -1.54 112.91 114.52 1xl9 h THR 26 Ca -0.01 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1xl9 h THR 26 Cb 1.02 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1xl9 h THR 26 CO 0.07 0.34 0.03 0.74 0.37 0.00 0.00 175.52 177.07 1xl9 h THR 27 N 0.98 1.08 -0.68 3.16 2.02 -1.13 -1.72 112.91 116.62 1xl9 h THR 27 Ca 0.22 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1xl9 h THR 27 Cb 0.30 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1xl9 h THR 27 CO -0.01 0.07 0.41 0.50 0.37 0.00 0.00 175.52 176.86 1xl9 h LYS 28 N 0.01 0.75 -0.08 6.66 3.64 -1.40 -2.28 116.57 123.88 1xl9 h LYS 28 Ca 0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xl9 h LYS 28 Cb 0.08 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1xl9 h LYS 28 CO -0.00 0.50 0.04 1.25 -2.27 0.00 0.00 179.45 178.97 1xl9 h LEU 29 N 0.78 0.10 -0.04 5.20 6.46 -1.14 -2.07 115.31 124.60 1xl9 h LEU 29 Ca 0.28 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1xl9 h LEU 29 Cb 0.09 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1xl9 h LEU 29 CO -0.14 0.15 0.02 0.58 -0.62 0.00 0.00 178.44 178.44 1xl9 h VAL 30 N 0.04 1.03 -0.57 1.05 2.07 -1.14 -1.18 116.25 117.55 1xl9 h VAL 30 Ca 0.03 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1xl9 h VAL 30 Cb 0.07 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1xl9 h VAL 30 CO -0.00 0.02 0.38 0.78 0.02 0.00 0.00 177.57 178.76 1xl9 h ASN 31 N 0.03 0.57 -0.09 0.57 2.35 -1.47 -2.54 115.58 114.99 1xl9 h ASN 31 Ca 0.01 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1xl9 h ASN 31 Cb 0.02 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1xl9 h ASN 31 CO -0.00 0.39 -0.02 0.22 -1.65 0.00 0.00 177.43 176.37 1xl9 h TYR 32 N 0.66 0.20 -0.16 1.19 3.20 -0.69 -3.01 116.97 118.36 1xl9 h TYR 32 Ca 0.23 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1xl9 h TYR 32 Cb 0.09 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1xl9 h TYR 32 CO -0.00 0.49 0.08 -0.07 -1.64 0.00 0.00 178.16 177.02 1xl9 h LEU 33 N -0.14 0.13 -1.49 2.82 3.38 -0.97 -1.71 115.31 117.32 1xl9 h LEU 33 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1xl9 h LEU 33 Cb 0.42 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1xl9 h LEU 33 CO 0.01 0.10 0.41 0.40 0.09 0.00 0.00 178.44 179.45 1xl9 h ILE 34 N 0.18 1.01 0.00 1.22 2.04 -1.58 -0.98 117.51 119.40 1xl9 h ILE 34 Ca 0.06 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1xl9 h ILE 34 Cb 0.01 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1xl9 h ILE 34 CO -0.04 0.12 0.00 -0.67 0.00 0.00 0.00 178.15 177.56 1xl9 n ASP 35 N -4.47 0.68 -2.09 1.72 2.03 -0.80 -4.01 116.55 109.61 1xl9 n ASP 35 Ca 0.09 0.60 -0.16 0.00 0.52 0.00 0.00 54.79 55.84 1xl9 n ASP 35 Cb 0.22 -0.77 0.04 0.00 -0.72 0.00 0.00 41.12 39.89 1xl9 n ASP 35 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xl9 n ASN 36 N -2.18 3.89 0.00 1.67 3.02 -0.43 -4.99 115.26 116.24 1xl9 n ASN 36 Ca 0.04 -3.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.25 1xl9 n ASN 36 Cb 0.34 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1xl9 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl9 n GLY 37 N -0.69 0.33 3.68 7.41 0.00 -1.09 -3.22 105.19 111.61 1xl9 n GLY 37 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1xl9 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xl9 s THR 38 N -2.00 4.53 -2.01 2.61 2.01 -0.85 -4.66 115.64 115.27 1xl9 s THR 38 Ca 0.00 1.82 0.21 0.00 0.31 0.00 0.00 61.69 64.03 1xl9 s THR 38 Cb 0.00 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1xl9 s THR 38 CO 0.00 -0.01 1.04 0.35 -0.69 0.00 0.00 174.62 175.31 1xl9 n THR 39 N 4.66 0.00 -3.57 -0.82 -2.24 0.29 -4.52 114.28 108.07 1xl9 n THR 39 Ca 0.10 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1xl9 n THR 39 Cb 0.47 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 1xl9 n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xl9 s ALA 40 N -2.23 -1.86 -0.13 6.98 0.00 -1.20 -4.12 121.76 119.21 1xl9 s ALA 40 Ca 0.18 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1xl9 s ALA 40 Cb 0.17 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1xl9 s ALA 40 CO 0.48 -0.32 -0.16 0.42 0.00 0.00 0.00 175.76 176.18 1xl9 s ILE 41 N -0.79 2.78 -0.27 0.00 1.01 -0.17 -0.95 121.20 122.81 1xl9 s ILE 41 Ca -0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1xl9 s ILE 41 Cb -0.01 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1xl9 s ILE 41 CO 0.03 0.53 0.13 -0.69 0.00 0.00 0.00 174.94 174.94 1xl9 s VAL 42 N 0.44 4.75 -0.14 2.92 1.01 0.81 -0.39 120.40 129.80 1xl9 s VAL 42 Ca -0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1xl9 s VAL 42 Cb -0.16 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1xl9 s VAL 42 CO 0.05 0.27 -0.09 -0.69 0.00 0.00 0.00 175.10 174.64 1xl9 s VAL 43 N 1.67 3.45 -0.99 2.92 1.01 0.38 -1.68 120.40 127.16 1xl9 s VAL 43 Ca 0.06 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1xl9 s VAL 43 Cb -0.16 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1xl9 s VAL 43 CO 0.07 0.51 0.86 0.61 0.00 0.00 0.00 175.10 177.15 1xl9 n GLY 44 N 3.48 -0.14 0.00 4.51 0.00 -1.26 -1.56 105.19 110.21 1xl9 n GLY 44 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xl9 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl9 n GLY 45 N -1.59 3.23 0.27 -0.02 0.00 -1.26 -4.34 105.19 101.48 1xl9 n GLY 45 Ca 0.00 -2.08 0.05 0.00 0.00 0.00 0.00 46.02 43.99 1xl9 n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xl9 h THR 46 N 0.11 0.43 0.00 2.61 2.02 -1.94 0.15 112.91 116.29 1xl9 h THR 46 Ca 0.00 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 1xl9 h THR 46 Cb 0.00 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1xl9 h THR 46 CO 0.00 0.03 -0.48 0.74 0.37 0.00 0.00 175.52 176.18 1xl9 h THR 47 N 0.17 1.00 -0.56 3.16 2.02 -1.86 -2.69 112.91 114.15 1xl9 h THR 47 Ca 0.41 -1.90 -0.25 0.00 0.77 0.00 0.00 66.41 65.44 1xl9 h THR 47 Cb 0.72 2.14 -0.15 0.00 -1.74 0.00 0.00 68.15 69.12 1xl9 h THR 47 CO -0.59 0.47 0.32 0.61 0.37 0.00 0.00 175.52 176.70 1xl9 n GLY 48 N 0.57 3.30 3.27 2.16 0.00 0.47 -4.23 105.19 110.74 1xl9 n GLY 48 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1xl9 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xl9 n GLU 49 N -0.32 -5.59 -0.35 1.61 1.02 -0.79 -4.44 120.64 111.78 1xl9 n GLU 49 Ca 0.33 0.82 0.27 0.00 -0.02 0.00 0.00 57.16 58.56 1xl9 n GLU 49 Cb 1.14 -5.72 0.53 0.00 -0.02 0.00 0.00 31.44 27.37 1xl9 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xl9 h SER 50 N -1.74 0.44 -0.16 1.62 4.64 -1.60 -0.97 113.55 115.78 1xl9 h SER 50 Ca -0.54 0.18 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1xl9 h SER 50 Cb 1.36 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.58 1xl9 h SER 50 CO 0.57 -0.15 0.12 -0.65 -0.87 0.00 0.00 176.83 175.85 1xl9 h PRO 51 N 0.25 0.00 -0.12 4.77 0.11 -1.89 -3.06 132.00 132.06 1xl9 h PRO 51 Ca 0.75 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.86 1xl9 h PRO 51 Cb 1.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.01 1xl9 h PRO 51 CO -0.55 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.49 1xl9 n THR 52 N -4.44 0.23 -3.36 -1.15 -2.24 -0.38 -4.92 114.28 98.02 1xl9 n THR 52 Ca 0.01 -0.61 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 1xl9 n THR 52 Cb 0.25 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 1xl9 n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xl9 s LEU 53 N -1.17 4.37 0.68 3.22 1.02 -1.14 -5.07 118.68 120.58 1xl9 s LEU 53 Ca 0.20 0.93 -0.13 0.00 0.02 0.00 0.00 54.13 55.15 1xl9 s LEU 53 Cb 0.13 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1xl9 s LEU 53 CO 0.19 0.13 1.08 0.42 0.02 0.00 0.00 176.35 178.19 1xl9 s THR 54 N -0.12 3.65 0.42 5.49 -4.23 -1.26 -4.86 115.64 114.74 1xl9 s THR 54 Ca 0.26 0.65 0.11 0.00 -1.18 0.00 0.00 61.69 61.53 1xl9 s THR 54 Cb -0.16 -3.23 0.20 0.00 1.34 0.00 0.00 72.50 70.65 1xl9 s THR 54 CO 0.13 -0.59 1.99 -1.28 -0.54 0.00 0.00 174.62 174.33 1xl9 h SER 55 N -0.33 0.20 -0.09 3.99 0.87 -1.98 -0.96 113.55 115.25 1xl9 h SER 55 Ca -0.45 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1xl9 h SER 55 Cb 1.22 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1xl9 h SER 55 CO 0.55 0.28 0.01 -0.33 -0.53 0.00 0.00 176.83 176.81 1xl9 h GLU 56 N 0.21 0.15 -0.46 2.24 3.07 -2.00 -2.47 114.58 115.34 1xl9 h GLU 56 Ca 0.05 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1xl9 h GLU 56 Cb 0.22 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 1xl9 h GLU 56 CO 0.01 0.39 0.08 0.93 -1.40 0.00 0.00 179.01 179.03 1xl9 h GLU 57 N -0.11 0.21 -0.32 2.33 5.08 -1.80 -0.11 114.58 119.87 1xl9 h GLU 57 Ca 0.03 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1xl9 h GLU 57 Cb 0.32 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1xl9 h GLU 57 CO 0.00 0.14 -0.09 0.87 -1.00 0.00 0.00 179.01 178.94 1xl9 h LYS 58 N 0.22 -0.01 -0.47 2.33 1.57 -1.16 0.63 116.57 119.67 1xl9 h LYS 58 Ca 0.23 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1xl9 h LYS 58 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1xl9 h LYS 58 CO -0.30 -0.01 -0.18 0.28 -0.57 0.00 0.00 179.45 178.67 1xl9 h VAL 59 N -0.01 1.27 -0.43 0.50 2.07 -1.23 0.33 116.25 118.75 1xl9 h VAL 59 Ca 0.15 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.36 1xl9 h VAL 59 Cb 0.24 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1xl9 h VAL 59 CO -0.33 0.46 0.27 0.00 0.02 0.00 0.00 177.57 177.99 1xl9 h ALA 60 N 0.87 0.55 -0.29 1.67 0.00 -0.55 -1.97 119.26 119.54 1xl9 h ALA 60 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xl9 h ALA 60 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xl9 h ALA 60 CO 0.06 -0.03 0.13 1.25 0.00 0.00 0.00 179.25 180.66 1xl9 h LEU 61 N 0.55 0.40 -1.02 0.00 5.85 0.55 -2.40 115.31 119.24 1xl9 h LEU 61 Ca 0.17 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1xl9 h LEU 61 Cb -0.03 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 1xl9 h LEU 61 CO -0.06 0.44 0.63 1.88 -0.34 0.00 0.00 178.44 181.00 1xl9 h TYR 62 N 0.33 1.15 0.45 1.25 0.05 -0.17 -2.51 116.97 117.52 1xl9 h TYR 62 Ca 0.10 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 1xl9 h TYR 62 Cb 0.16 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.54 1xl9 h TYR 62 CO -0.01 0.47 -0.22 -0.09 -1.05 0.00 0.00 178.16 177.26 1xl9 h ARG 63 N 1.01 -0.58 -0.38 4.88 2.43 -1.23 -2.26 114.38 118.25 1xl9 h ARG 63 Ca 0.49 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.77 1xl9 h ARG 63 Cb 0.46 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1xl9 h ARG 63 CO -0.25 -0.28 0.01 1.25 -1.51 0.00 0.00 179.97 179.18 1xl9 h HIS 64 N -0.87 -0.01 -0.87 2.20 2.76 -1.40 -1.73 115.15 115.23 1xl9 h HIS 64 Ca -0.06 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1xl9 h HIS 64 Cb 0.57 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.55 1xl9 h HIS 64 CO 0.01 -0.07 0.54 0.28 -1.30 0.00 0.00 177.93 177.39 1xl9 h VAL 65 N 0.11 1.23 -0.06 5.26 2.07 -1.46 -0.47 116.25 122.93 1xl9 h VAL 65 Ca 0.19 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xl9 h VAL 65 Cb 0.26 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1xl9 h VAL 65 CO -0.30 0.24 -0.02 0.58 0.02 0.00 0.00 177.57 178.08 1xl9 h VAL 66 N 1.18 0.92 -0.33 2.57 2.07 -1.04 0.26 116.25 121.89 1xl9 h VAL 66 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.90 1xl9 h VAL 66 Cb -0.08 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1xl9 h VAL 66 CO -0.06 0.00 -0.33 -1.28 0.02 0.00 0.00 177.57 175.91 1xl9 h SER 67 N -0.02 -1.10 -0.26 0.57 0.87 -0.89 0.22 113.55 112.96 1xl9 h SER 67 Ca 0.03 0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.60 1xl9 h SER 67 Cb 0.06 0.50 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1xl9 h SER 67 CO -0.07 -0.34 -0.49 0.58 -0.53 0.00 0.00 176.83 175.99 1xl9 h VAL 68 N -0.30 1.28 -0.72 2.23 2.07 -0.90 -2.94 116.25 116.97 1xl9 h VAL 68 Ca 0.15 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 1xl9 h VAL 68 Cb 0.55 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1xl9 h VAL 68 CO -0.49 0.55 0.43 0.58 0.02 0.00 0.00 177.57 178.66 1xl9 h VAL 69 N 0.66 1.21 -5.95 2.57 2.07 -0.24 -3.47 116.25 113.09 1xl9 h VAL 69 Ca 0.03 -0.46 -0.41 0.00 0.82 0.00 0.00 66.70 66.68 1xl9 h VAL 69 Cb 1.08 0.21 0.10 0.00 -1.52 0.00 0.00 31.29 31.15 1xl9 h VAL 69 CO 0.11 0.22 -0.71 -0.67 0.02 0.00 0.00 177.57 176.53 1xl9 n ASP 70 N -4.52 -5.59 0.00 0.57 4.64 0.05 -2.02 116.55 109.67 1xl9 n ASP 70 Ca 0.06 -0.61 0.00 0.00 -1.38 0.00 0.00 54.79 52.86 1xl9 n ASP 70 Cb 0.06 -4.74 0.00 0.00 -1.04 0.00 0.00 41.12 35.39 1xl9 n ASP 70 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xl9 n LYS 71 N -4.86 -1.28 0.22 -0.67 4.76 -1.26 -4.88 118.16 110.19 1xl9 n LYS 71 Ca -0.01 0.32 0.08 0.00 -2.87 0.00 0.00 58.31 55.83 1xl9 n LYS 71 Cb 0.56 -4.29 0.51 0.00 -1.84 0.00 0.00 35.03 29.96 1xl9 n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xl9 h ARG 72 N 0.36 0.00 -2.50 1.97 3.08 -1.79 -3.44 114.38 112.07 1xl9 h ARG 72 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1xl9 h ARG 72 Cb 0.64 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.47 1xl9 h ARG 72 CO 0.00 0.25 -0.08 0.54 -1.07 0.00 0.00 179.97 179.61 1xl9 s VAL 73 N -3.97 0.01 0.39 2.04 0.11 -1.26 -5.07 120.40 112.64 1xl9 s VAL 73 Ca -0.02 -0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.68 1xl9 s VAL 73 Cb 0.12 -0.76 -0.11 0.00 -1.53 0.00 0.00 36.38 34.11 1xl9 s VAL 73 CO 0.65 -0.05 1.16 -2.65 -3.33 0.00 0.00 175.10 170.88 1xl9 n PRO 74 N 2.16 1.71 -3.93 1.54 -0.02 -1.26 -4.85 135.00 130.35 1xl9 n PRO 74 Ca -0.16 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 1xl9 n PRO 74 Cb 0.56 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.72 1xl9 n PRO 74 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xl9 s VAL 75 N -1.18 3.99 -0.20 -1.45 1.01 -1.26 -1.00 120.40 120.30 1xl9 s VAL 75 Ca 0.60 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1xl9 s VAL 75 Cb -0.56 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1xl9 s VAL 75 CO 0.59 0.40 -0.06 -0.63 0.00 0.00 0.00 175.10 175.40 1xl9 s ILE 76 N 1.30 3.33 -0.10 2.22 1.01 0.48 -0.91 121.20 128.53 1xl9 s ILE 76 Ca 0.04 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 1xl9 s ILE 76 Cb -0.15 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1xl9 s ILE 76 CO 0.01 0.44 0.39 0.00 0.00 0.00 0.00 174.94 175.79 1xl9 s ALA 77 N 1.25 3.58 -1.37 9.38 0.00 -0.32 -0.47 121.76 133.81 1xl9 s ALA 77 Ca 0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 1xl9 s ALA 77 Cb -0.14 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.57 1xl9 s ALA 77 CO -0.02 0.16 1.98 0.41 0.00 0.00 0.00 175.76 178.29 1xl9 n GLY 78 N 2.91 3.81 0.27 0.00 0.00 -0.60 0.02 105.19 111.60 1xl9 n GLY 78 Ca -0.11 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1xl9 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl9 n THR 79 N 5.25 0.00 -2.90 2.61 -2.24 -1.08 -4.72 114.28 111.21 1xl9 n THR 79 Ca 0.48 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.72 1xl9 n THR 79 Cb 0.41 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 1xl9 n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xl9 s GLY 80 N -2.66 2.80 0.00 3.38 0.00 -1.22 -4.48 107.32 105.14 1xl9 s GLY 80 Ca 0.17 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1xl9 s GLY 80 CO 0.64 1.30 0.00 -1.14 0.00 0.00 0.00 173.10 173.90 1xl9 n SER 81 N 3.33 1.92 -0.92 1.64 3.41 -1.26 -4.49 113.62 117.26 1xl9 n SER 81 Ca 0.00 -0.43 0.06 0.00 -0.26 0.00 0.00 58.87 58.24 1xl9 n SER 81 Cb 0.51 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.66 1xl9 n SER 81 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xl9 n ASN 82 N -0.47 2.65 -4.10 4.04 2.04 -1.26 -4.54 115.26 113.62 1xl9 n ASN 82 Ca 0.00 -2.14 -0.33 0.00 -0.44 0.00 0.00 54.58 51.68 1xl9 n ASN 82 Cb 0.00 -0.37 -0.15 0.00 -2.53 0.00 0.00 39.78 36.74 1xl9 n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1xl9 s ASN 83 N -0.86 4.59 0.12 0.53 3.84 -1.26 -4.96 114.94 116.94 1xl9 s ASN 83 Ca 0.29 -1.38 -0.18 0.00 0.21 0.00 0.00 52.86 51.80 1xl9 s ASN 83 Cb 0.17 -1.60 -0.04 0.00 -0.55 0.00 0.00 41.25 39.23 1xl9 s ASN 83 CO 0.17 -0.22 1.71 0.74 -2.79 0.00 0.00 177.10 176.71 1xl9 h THR 84 N 6.68 1.14 -0.91 -5.21 2.02 -1.96 -1.60 112.91 113.07 1xl9 h THR 84 Ca -0.19 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1xl9 h THR 84 Cb 1.05 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 1xl9 h THR 84 CO 0.48 0.15 0.60 -0.74 0.37 0.00 0.00 175.52 176.38 1xl9 h HIS 85 N 0.36 1.13 0.00 3.16 -0.00 -1.98 -1.52 115.15 116.29 1xl9 h HIS 85 Ca 0.10 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.37 1xl9 h HIS 85 Cb 0.09 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1xl9 h HIS 85 CO -0.02 0.68 -0.61 0.00 -0.00 0.00 0.00 177.93 177.97 1xl9 h ALA 86 N 1.45 0.73 -0.09 5.26 0.00 -1.95 -1.86 119.26 122.80 1xl9 h ALA 86 Ca 0.35 -0.56 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 1xl9 h ALA 86 Cb -0.06 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xl9 h ALA 86 CO -0.09 0.76 -0.88 0.77 0.00 0.00 0.00 179.25 179.81 1xl9 h SER 87 N 0.00 0.93 0.05 0.00 0.02 -0.91 -1.23 113.55 112.41 1xl9 h SER 87 Ca -0.01 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 1xl9 h SER 87 Cb 1.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1xl9 h SER 87 CO 0.08 1.46 -0.05 0.40 -1.14 0.00 0.00 176.83 177.58 1xl9 h ILE 88 N 0.47 0.88 -0.56 3.27 2.04 -1.23 -1.26 117.51 121.12 1xl9 h ILE 88 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1xl9 h ILE 88 Cb 1.52 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 1xl9 h ILE 88 CO 0.18 0.00 0.24 -0.78 0.00 0.00 0.00 178.15 177.79 1xl9 h ASP 89 N -0.12 0.30 1.26 1.72 3.58 -1.21 -1.73 116.42 120.24 1xl9 h ASP 89 Ca 0.00 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 1xl9 h ASP 89 Cb 0.11 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1xl9 h ASP 89 CO -0.02 0.20 -0.43 0.25 -2.88 0.00 0.00 179.24 176.36 1xl9 h LEU 90 N 0.46 0.00 -0.51 2.28 5.85 -1.23 -2.03 115.31 120.13 1xl9 h LEU 90 Ca 0.26 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 1xl9 h LEU 90 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1xl9 h LEU 90 CO -0.23 0.43 -0.11 0.74 -0.34 0.00 0.00 178.44 178.93 1xl9 h THR 91 N 0.00 1.27 0.63 1.05 2.02 -0.88 0.28 112.91 117.28 1xl9 h THR 91 Ca -0.00 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 1xl9 h THR 91 Cb 1.18 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1xl9 h THR 91 CO 0.06 0.44 -0.34 0.11 0.37 0.00 0.00 175.52 176.15 1xl9 h LYS 92 N 0.84 -0.87 -0.73 6.66 6.56 -1.10 -1.33 116.57 126.59 1xl9 h LYS 92 Ca 0.13 0.06 0.10 0.00 -1.06 0.00 0.00 60.65 59.88 1xl9 h LYS 92 Cb 0.68 0.20 -0.07 0.00 -0.57 0.00 0.00 32.23 32.46 1xl9 h LYS 92 CO 0.05 -0.58 0.37 0.87 -2.06 0.00 0.00 179.45 178.10 1xl9 h LYS 93 N -0.91 0.61 -0.01 3.15 1.57 -1.23 -1.43 116.57 118.33 1xl9 h LYS 93 Ca -0.08 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1xl9 h LYS 93 Cb 0.71 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1xl9 h LYS 93 CO 0.11 0.40 -0.25 0.00 -0.57 0.00 0.00 179.45 179.15 1xl9 h ALA 94 N 1.44 -0.32 -0.49 3.86 0.00 -0.87 -2.60 119.26 120.27 1xl9 h ALA 94 Ca 0.36 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1xl9 h ALA 94 Cb 0.38 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1xl9 h ALA 94 CO -0.27 -0.75 -0.02 1.15 0.00 0.00 0.00 179.25 179.36 1xl9 h THR 95 N -0.38 0.59 0.00 0.00 2.02 -0.90 -0.83 112.91 113.41 1xl9 h THR 95 Ca 0.07 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1xl9 h THR 95 Cb 0.47 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1xl9 h THR 95 CO -0.23 0.02 -0.01 -0.08 0.37 0.00 0.00 175.52 175.58 1xl9 h GLU 96 N 0.09 0.00 -0.02 6.66 4.22 -0.91 -1.51 114.58 123.11 1xl9 h GLU 96 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.69 1xl9 h GLU 96 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xl9 h GLU 96 CO -0.43 0.01 -0.08 1.33 -2.18 0.00 0.00 179.01 177.67 1xl9 n VAL 97 N -3.48 0.00 -0.17 0.32 0.24 -0.73 -4.99 118.33 109.51 1xl9 n VAL 97 Ca -0.03 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1xl9 n VAL 97 Cb 0.10 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 1xl9 n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 98 N 1.13 1.68 3.65 7.63 0.00 -0.39 -4.69 105.19 114.19 1xl9 n GLY 98 Ca 0.11 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1xl9 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xl9 s VAL 99 N -2.00 2.24 -0.08 1.61 -7.23 -1.20 -5.00 120.40 108.73 1xl9 s VAL 99 Ca 0.00 0.08 0.20 0.00 -1.81 0.00 0.00 61.98 60.44 1xl9 s VAL 99 Cb 0.00 -2.44 -0.29 0.00 0.56 0.00 0.00 36.38 34.20 1xl9 s VAL 99 CO 0.00 -0.10 0.33 0.47 -0.31 0.00 0.00 175.10 175.49 1xl9 n ASP 100 N -4.27 0.25 -3.93 4.85 9.92 -0.08 -4.84 116.55 118.45 1xl9 n ASP 100 Ca 0.06 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.23 1xl9 n ASP 100 Cb 0.56 1.63 -0.04 0.00 -0.64 0.00 0.00 41.12 42.63 1xl9 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xl9 s ALA 101 N -3.12 -0.71 0.09 2.24 0.00 -1.09 -4.17 121.76 114.99 1xl9 s ALA 101 Ca -0.08 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1xl9 s ALA 101 Cb 0.11 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 24.16 1xl9 s ALA 101 CO 0.84 -0.94 -0.24 0.14 0.00 0.00 0.00 175.76 175.56 1xl9 s VAL 102 N -3.97 1.98 -0.14 0.00 -7.23 -0.66 -1.17 120.40 109.21 1xl9 s VAL 102 Ca 0.17 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1xl9 s VAL 102 Cb -0.03 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1xl9 s VAL 102 CO 0.08 0.13 -0.10 -0.32 -0.31 0.00 0.00 175.10 174.58 1xl9 s MET 103 N -1.67 3.46 -0.24 4.82 1.75 0.10 -0.43 119.30 127.09 1xl9 s MET 103 Ca 0.10 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 1xl9 s MET 103 Cb -0.10 -2.71 0.06 0.00 2.84 0.00 0.00 34.83 34.92 1xl9 s MET 103 CO 0.04 0.23 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.03 1xl9 s LEU 104 N 0.33 3.06 0.41 4.11 1.43 -0.46 -2.62 118.68 124.94 1xl9 s LEU 104 Ca -0.09 -1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 51.51 1xl9 s LEU 104 Cb -0.15 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 1xl9 s LEU 104 CO 0.05 -0.19 1.08 0.54 0.23 0.00 0.00 176.35 178.06 1xl9 s VAL 105 N 1.21 3.58 0.11 -1.59 0.11 -1.26 -1.09 120.40 121.48 1xl9 s VAL 105 Ca -0.07 1.20 -0.34 0.00 -2.93 0.00 0.00 61.98 59.84 1xl9 s VAL 105 Cb -0.19 -3.62 -0.13 0.00 -1.53 0.00 0.00 36.38 30.91 1xl9 s VAL 105 CO -0.06 -0.00 1.63 0.00 -3.33 0.00 0.00 175.10 173.34 1xl9 n ALA 106 N -0.18 1.25 -1.67 1.54 0.00 -0.58 -4.79 120.51 116.09 1xl9 n ALA 106 Ca 0.06 0.42 -0.52 0.00 0.00 0.00 0.00 53.44 53.39 1xl9 n ALA 106 Cb 0.49 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 1xl9 n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xl9 n PRO 107 N 4.01 1.59 -2.73 0.00 -0.02 -1.26 -4.86 135.00 131.73 1xl9 n PRO 107 Ca 0.18 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 1xl9 n PRO 107 Cb 0.29 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1xl9 n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xl9 s TYR 108 N 2.73 3.52 0.00 6.00 1.13 -1.26 -4.37 117.35 125.10 1xl9 s TYR 108 Ca 0.91 0.96 0.00 0.00 -1.41 0.00 0.00 57.07 57.53 1xl9 s TYR 108 Cb -0.88 -2.39 0.00 0.00 -1.10 0.00 0.00 41.96 37.58 1xl9 s TYR 108 CO 0.54 -0.20 0.00 0.98 -2.51 0.00 0.00 175.55 174.36 1xl9 n TYR 109 N -1.75 0.00 1.60 -3.49 9.36 -1.26 -4.47 117.16 117.15 1xl9 n TYR 109 Ca 0.02 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.39 1xl9 n TYR 109 Cb 0.54 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.98 1xl9 n TYR 109 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1xl9 n ASN 110 N 2.13 0.41 -3.69 2.98 0.23 -1.26 -5.00 115.26 111.07 1xl9 n ASN 110 Ca 0.00 -0.78 -0.31 0.00 -0.53 0.00 0.00 54.58 52.96 1xl9 n ASN 110 Cb 0.00 -0.07 0.04 0.00 -2.08 0.00 0.00 39.78 37.67 1xl9 n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xl9 n LYS 111 N -0.85 -1.16 -1.29 -3.83 5.02 -1.26 -4.96 118.16 109.84 1xl9 n LYS 111 Ca 0.18 0.49 -0.29 0.00 -2.02 0.00 0.00 58.31 56.67 1xl9 n LYS 111 Cb 0.23 -3.98 0.16 0.00 -0.02 0.00 0.00 35.03 31.42 1xl9 n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xl9 s PRO 112 N -5.91 0.76 0.58 1.97 0.04 -1.26 -5.05 135.00 126.13 1xl9 s PRO 112 Ca 0.44 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 1xl9 s PRO 112 Cb -0.16 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1xl9 s PRO 112 CO 0.87 -2.50 0.84 -1.54 0.04 0.00 0.00 177.00 174.70 1xl9 s SER 113 N -3.63 5.33 0.17 6.66 1.04 -1.26 -4.85 113.70 117.16 1xl9 s SER 113 Ca 0.65 0.30 -0.15 0.00 0.48 0.00 0.00 55.95 57.22 1xl9 s SER 113 Cb -0.17 -1.22 0.12 0.00 0.10 0.00 0.00 66.02 64.85 1xl9 s SER 113 CO 0.56 -1.15 1.72 1.56 0.98 0.00 0.00 173.24 176.91 1xl9 h GLN 114 N -0.07 0.19 -0.36 4.02 1.08 -1.96 0.09 115.11 118.09 1xl9 h GLN 114 Ca -0.44 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 56.68 1xl9 h GLN 114 Cb 1.28 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 1xl9 h GLN 114 CO 0.57 0.13 -0.06 1.49 -0.95 0.00 0.00 178.83 180.00 1xl9 h GLU 115 N 0.20 0.60 -0.29 1.46 4.57 -1.99 -1.42 114.58 117.70 1xl9 h GLU 115 Ca 0.20 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1xl9 h GLU 115 Cb 0.25 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1xl9 h GLU 115 CO -0.27 0.67 0.06 0.78 -1.18 0.00 0.00 179.01 179.06 1xl9 h GLY 116 N 0.92 0.52 1.14 1.92 0.00 -1.78 -1.44 103.07 104.34 1xl9 h GLY 116 Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1xl9 h GLY 116 CO 0.02 0.31 0.54 -0.33 0.00 0.00 0.00 176.54 177.08 1xl9 h MET 117 N 0.31 1.02 -0.25 4.80 2.86 -0.78 0.91 114.93 123.81 1xl9 h MET 117 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1xl9 h MET 117 Cb 0.31 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1xl9 h MET 117 CO 0.00 0.68 0.10 -0.92 1.06 0.00 0.00 176.91 177.83 1xl9 h TYR 118 N 1.05 0.38 -0.53 -0.22 3.20 -1.01 0.74 116.97 120.58 1xl9 h TYR 118 Ca 0.31 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 1xl9 h TYR 118 Cb -0.04 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1xl9 h TYR 118 CO -0.00 0.41 -0.04 1.96 -1.64 0.00 0.00 178.16 178.85 1xl9 h GLN 119 N 0.25 0.96 -0.04 1.82 1.08 -0.94 -0.84 115.11 117.40 1xl9 h GLN 119 Ca 0.08 -0.33 0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1xl9 h GLN 119 Cb 0.19 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 1xl9 h GLN 119 CO -0.01 0.99 -0.48 1.25 -0.95 0.00 0.00 178.83 179.64 1xl9 h HIS 120 N 0.83 -1.42 -0.46 2.96 -0.00 -0.50 0.05 115.15 116.61 1xl9 h HIS 120 Ca 0.14 0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 1xl9 h HIS 120 Cb 0.59 0.62 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 1xl9 h HIS 120 CO 0.04 -0.51 -0.20 0.74 -0.00 0.00 0.00 177.93 178.01 1xl9 h PHE 121 N -0.58 1.06 -0.54 5.26 0.04 -0.86 -1.67 116.94 119.66 1xl9 h PHE 121 Ca 0.02 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 1xl9 h PHE 121 Cb 0.63 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1xl9 h PHE 121 CO -0.52 1.04 0.19 -0.22 -0.60 0.00 0.00 178.31 178.20 1xl9 h LYS 122 N 0.81 0.82 -0.65 1.51 3.64 -1.07 -1.04 116.57 120.58 1xl9 h LYS 122 Ca 0.11 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1xl9 h LYS 122 Cb 0.76 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1xl9 h LYS 122 CO 0.06 0.73 0.12 0.00 -2.27 0.00 0.00 179.45 178.09 1xl9 h ALA 123 N 1.05 0.86 -0.36 5.00 0.00 -0.77 -1.99 119.26 123.05 1xl9 h ALA 123 Ca 0.18 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1xl9 h ALA 123 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xl9 h ALA 123 CO -0.01 0.62 -0.15 0.82 0.00 0.00 0.00 179.25 180.53 1xl9 h ILE 124 N 0.99 1.28 -0.85 0.00 2.04 -1.15 -2.73 117.51 117.09 1xl9 h ILE 124 Ca 0.20 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.86 1xl9 h ILE 124 Cb 0.42 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1xl9 h ILE 124 CO 0.01 0.42 0.56 0.00 0.00 0.00 0.00 178.15 179.13 1xl9 h ALA 125 N 0.80 1.56 0.00 1.87 0.00 -1.13 -2.19 119.26 120.17 1xl9 h ALA 125 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xl9 h ALA 125 Cb 0.69 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xl9 h ALA 125 CO 0.05 0.31 0.00 0.93 0.00 0.00 0.00 179.25 180.54 1xl9 h GLU 126 N 0.95 0.00 0.00 0.00 5.08 -1.12 -2.82 114.58 116.68 1xl9 h GLU 126 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xl9 h GLU 126 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xl9 h GLU 126 CO -0.13 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.75 1xl9 n SER 127 N -2.92 0.59 -4.10 1.42 3.41 -0.82 -4.86 113.62 106.34 1xl9 n SER 127 Ca 0.04 0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1xl9 n SER 127 Cb 0.49 -0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 63.58 1xl9 n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xl9 s THR 128 N -3.18 0.64 -0.25 6.66 -1.32 -1.06 -4.92 115.64 112.20 1xl9 s THR 128 Ca 0.07 -1.28 0.19 0.00 -1.21 0.00 0.00 61.69 59.46 1xl9 s THR 128 Cb 0.11 -0.88 0.18 0.00 -1.51 0.00 0.00 72.50 70.40 1xl9 s THR 128 CO 0.46 -0.46 1.53 1.55 -2.21 0.00 0.00 174.62 175.49 1xl9 h PRO 129 N 4.16 0.00 -7.15 7.08 0.13 -1.89 -3.48 132.00 130.85 1xl9 h PRO 129 Ca -0.36 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.24 1xl9 h PRO 129 Cb 1.19 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.46 1xl9 h PRO 129 CO 0.45 0.29 0.42 -0.51 -0.23 0.00 0.00 178.00 178.43 1xl9 s LEU 130 N -6.37 3.46 0.32 1.56 1.02 -1.26 -4.99 118.68 112.41 1xl9 s LEU 130 Ca 0.05 2.31 -0.29 0.00 0.02 0.00 0.00 54.13 56.22 1xl9 s LEU 130 Cb 0.07 -4.59 -0.12 0.00 0.02 0.00 0.00 46.19 41.57 1xl9 s LEU 130 CO 0.71 -1.91 1.45 -0.81 0.02 0.00 0.00 176.35 175.81 1xl9 n PRO 131 N -2.24 2.41 -4.65 1.29 -0.04 -1.26 -4.85 135.00 125.65 1xl9 n PRO 131 Ca 0.13 0.85 -0.33 0.00 -0.04 0.00 0.00 63.50 64.11 1xl9 n PRO 131 Cb 0.50 -2.54 -0.13 0.00 -0.04 0.00 0.00 33.50 31.29 1xl9 n PRO 131 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xl9 s VAL 132 N -0.62 3.39 -0.32 0.52 1.01 0.24 -1.66 120.40 122.96 1xl9 s VAL 132 Ca 0.59 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1xl9 s VAL 132 Cb -0.54 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1xl9 s VAL 132 CO 0.57 0.53 0.09 -0.32 0.00 0.00 0.00 175.10 175.96 1xl9 s MET 133 N 0.14 2.75 0.69 2.72 0.00 0.42 -1.69 119.30 124.34 1xl9 s MET 133 Ca -0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 55.69 54.40 1xl9 s MET 133 Cb -0.14 -3.41 0.02 0.00 0.00 0.00 0.00 34.83 31.29 1xl9 s MET 133 CO 0.04 -0.59 1.22 -0.51 0.00 0.00 0.00 175.02 175.18 1xl9 s LEU 134 N 1.42 3.42 -0.21 4.11 1.02 -0.79 -1.36 118.68 126.29 1xl9 s LEU 134 Ca -0.01 2.41 -0.04 0.00 0.02 0.00 0.00 54.13 56.51 1xl9 s LEU 134 Cb -0.19 -4.60 0.07 0.00 0.02 0.00 0.00 46.19 41.50 1xl9 s LEU 134 CO 0.02 -2.11 0.08 -0.47 0.02 0.00 0.00 176.35 173.89 1xl9 s TYR 135 N -1.82 0.64 -0.23 0.29 5.04 -0.25 0.08 117.35 121.11 1xl9 s TYR 135 Ca 0.76 -0.70 -0.18 0.00 -2.44 0.00 0.00 57.07 54.51 1xl9 s TYR 135 Cb -0.31 -0.92 -0.03 0.00 0.35 0.00 0.00 41.96 41.05 1xl9 s TYR 135 CO 0.42 -0.62 0.52 1.21 -1.34 0.00 0.00 175.55 175.74 1xl9 s ASN 136 N 1.99 6.51 -0.43 4.32 2.47 -0.41 -1.52 114.94 127.86 1xl9 s ASN 136 Ca 0.02 0.61 0.07 0.00 0.42 0.00 0.00 52.86 53.99 1xl9 s ASN 136 Cb -0.17 -2.29 0.25 0.00 -1.45 0.00 0.00 41.25 37.60 1xl9 s ASN 136 CO -0.14 -0.23 0.70 0.55 -3.72 0.00 0.00 177.10 174.27 1xl9 n VAL 137 N 4.80 -0.36 0.11 -5.21 3.14 -1.26 -1.18 118.33 118.37 1xl9 n VAL 137 Ca -0.04 -2.94 0.18 0.00 -2.96 0.00 0.00 64.34 58.58 1xl9 n VAL 137 Cb 0.50 -0.35 0.75 0.00 -1.06 0.00 0.00 33.84 33.68 1xl9 n VAL 137 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1xl9 h PRO 138 N 3.90 0.00 0.00 1.45 0.13 -1.82 0.50 132.00 136.16 1xl9 h PRO 138 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1xl9 h PRO 138 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1xl9 h PRO 138 CO 0.40 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1xl9 n GLY 139 N -1.52 -0.59 0.00 1.56 0.00 -1.26 -0.32 105.19 103.06 1xl9 n GLY 139 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xl9 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl9 n ARG 140 N -1.15 2.68 -0.01 1.61 1.74 0.05 -4.89 116.66 116.70 1xl9 n ARG 140 Ca 0.08 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 1xl9 n ARG 140 Cb 0.08 -0.84 -0.12 0.00 -1.02 0.00 0.00 32.46 30.55 1xl9 n ARG 140 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xl9 n SER 141 N -1.49 1.02 0.00 0.55 7.64 -0.49 -4.77 113.62 116.08 1xl9 n SER 141 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1xl9 n SER 141 Cb 0.32 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.07 1xl9 n SER 141 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xl9 n ILE 142 N -1.89 0.00 -2.30 0.44 5.41 0.56 -4.33 119.36 117.25 1xl9 n ILE 142 Ca -0.01 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.41 1xl9 n ILE 142 Cb 0.39 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.30 1xl9 n ILE 142 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1xl9 s VAL 143 N -0.03 4.17 0.22 1.39 -7.23 -1.26 -4.80 120.40 112.86 1xl9 s VAL 143 Ca 0.00 1.08 0.07 0.00 -1.81 0.00 0.00 61.98 61.32 1xl9 s VAL 143 Cb 0.00 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1xl9 s VAL 143 CO 0.00 -0.55 0.16 -1.10 -0.31 0.00 0.00 175.10 173.30 1xl9 s GLN 144 N -3.94 2.87 -0.34 4.82 -1.52 -1.26 -3.94 119.66 116.35 1xl9 s GLN 144 Ca 0.62 -1.02 -0.21 0.00 -1.95 0.00 0.00 55.36 52.80 1xl9 s GLN 144 Cb -0.13 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.10 1xl9 s GLN 144 CO 0.31 0.43 0.64 0.42 -0.25 0.00 0.00 175.29 176.84 1xl9 s ILE 145 N -2.02 4.89 0.42 1.08 1.01 -1.26 -4.96 121.20 120.36 1xl9 s ILE 145 Ca 0.32 0.66 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 1xl9 s ILE 145 Cb -0.08 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1xl9 s ILE 145 CO 0.24 -0.28 1.16 -0.94 0.00 0.00 0.00 174.94 175.12 1xl9 s SER 146 N 1.76 6.42 0.24 3.58 1.04 -1.26 -4.77 113.70 120.70 1xl9 s SER 146 Ca 0.25 2.31 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 1xl9 s SER 146 Cb -0.14 -2.61 0.32 0.00 0.10 0.00 0.00 66.02 63.69 1xl9 s SER 146 CO 0.14 -0.74 1.45 0.52 0.98 0.00 0.00 173.24 175.59 1xl9 n VAL 147 N -0.13 -0.45 -0.33 5.02 0.31 -1.26 -0.54 118.33 120.96 1xl9 n VAL 147 Ca 0.05 2.16 -0.01 0.00 -0.01 0.00 0.00 64.34 66.53 1xl9 n VAL 147 Cb 0.47 -2.92 0.15 0.00 -0.91 0.00 0.00 33.84 30.63 1xl9 n VAL 147 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1xl9 h ASP 148 N 0.00 1.06 -0.48 4.52 3.32 -1.99 -0.37 116.42 122.49 1xl9 h ASP 148 Ca 0.38 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 1xl9 h ASP 148 Cb 0.62 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1xl9 h ASP 148 CO -0.94 0.78 0.06 0.74 -1.72 0.00 0.00 179.24 178.15 1xl9 h THR 149 N 1.25 1.25 -0.85 0.35 2.02 -1.17 -1.60 112.91 114.16 1xl9 h THR 149 Ca 0.34 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1xl9 h THR 149 Cb -0.13 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1xl9 h THR 149 CO -0.07 0.34 0.43 0.58 0.37 0.00 0.00 175.52 177.16 1xl9 h VAL 150 N 0.68 1.26 -0.41 3.16 2.07 -0.24 -2.70 116.25 120.07 1xl9 h VAL 150 Ca 0.14 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1xl9 h VAL 150 Cb 0.42 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1xl9 h VAL 150 CO 0.01 0.30 0.22 0.58 0.02 0.00 0.00 177.57 178.71 1xl9 h VAL 151 N 1.20 1.15 -0.41 2.57 2.07 -0.87 0.11 116.25 122.07 1xl9 h VAL 151 Ca 0.29 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1xl9 h VAL 151 Cb 0.09 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1xl9 h VAL 151 CO -0.04 0.16 0.27 0.03 0.02 0.00 0.00 177.57 178.01 1xl9 h ARG 152 N 0.52 0.53 -0.24 1.57 3.08 -1.22 -2.69 114.38 115.95 1xl9 h ARG 152 Ca 0.14 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xl9 h ARG 152 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1xl9 h ARG 152 CO -0.02 0.35 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.08 1xl9 h LEU 153 N 0.55 0.35 -1.83 3.04 3.38 -1.24 -2.53 115.31 117.03 1xl9 h LEU 153 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1xl9 h LEU 153 Cb -0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xl9 h LEU 153 CO -0.03 0.47 -0.11 0.77 0.09 0.00 0.00 178.44 179.63 1xl9 h SER 154 N 0.36 0.00 0.48 -0.43 4.64 -0.45 -1.73 113.55 116.42 1xl9 h SER 154 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1xl9 h SER 154 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xl9 h SER 154 CO 0.02 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 1xl9 n GLU 155 N -4.32 0.06 -2.90 4.77 1.02 -0.95 -4.67 120.64 113.65 1xl9 n GLU 155 Ca -0.03 0.35 -0.40 0.00 -0.02 0.00 0.00 57.16 57.06 1xl9 n GLU 155 Cb 0.18 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 1xl9 n GLU 155 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xl9 s ILE 156 N -3.12 4.65 0.16 -3.67 1.01 -0.65 -4.98 121.20 114.59 1xl9 s ILE 156 Ca 0.05 1.78 -0.16 0.00 0.00 0.00 0.00 60.65 62.32 1xl9 s ILE 156 Cb 0.08 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1xl9 s ILE 156 CO 0.27 0.35 1.77 -0.08 0.00 0.00 0.00 174.94 177.25 1xl9 h GLU 157 N 5.60 0.35 -0.14 2.79 4.81 -1.86 -1.57 114.58 124.56 1xl9 h GLU 157 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1xl9 h GLU 157 Cb 1.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1xl9 h GLU 157 CO 0.71 0.23 0.00 0.27 -0.73 0.00 0.00 179.01 179.49 1xl9 n ASN 158 N -4.96 1.57 -4.43 1.04 6.94 -1.26 -4.74 115.26 109.42 1xl9 n ASN 158 Ca 0.02 -1.67 -0.44 0.00 -0.02 0.00 0.00 54.58 52.47 1xl9 n ASN 158 Cb 0.11 -0.09 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 1xl9 n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xl9 s ILE 159 N -1.82 4.61 -0.30 1.53 1.01 -0.59 0.81 121.20 126.44 1xl9 s ILE 159 Ca 0.33 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.46 1xl9 s ILE 159 Cb 0.18 -4.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 1xl9 s ILE 159 CO 0.27 -1.20 0.27 1.33 0.00 0.00 0.00 174.94 175.61 1xl9 n VAL 160 N 5.75 0.00 -3.56 2.92 0.24 -0.68 -4.59 118.33 118.41 1xl9 n VAL 160 Ca -0.06 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 1xl9 n VAL 160 Cb 0.44 0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 1xl9 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xl9 s ALA 161 N -1.65 -1.61 0.00 2.33 0.00 -1.22 -1.64 121.76 117.98 1xl9 s ALA 161 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1xl9 s ALA 161 Cb 0.05 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 1xl9 s ALA 161 CO 0.27 -0.82 -0.01 -1.50 0.00 0.00 0.00 175.76 173.69 1xl9 s ILE 162 N -3.55 0.07 -0.29 0.00 2.07 -0.65 -1.89 121.20 116.97 1xl9 s ILE 162 Ca 0.05 -0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 58.99 1xl9 s ILE 162 Cb -0.02 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.45 1xl9 s ILE 162 CO -0.07 -0.09 0.13 -0.75 -1.91 0.00 0.00 174.94 172.25 1xl9 s LYS 163 N -0.31 3.49 -0.38 3.50 2.20 0.11 -1.79 119.74 126.57 1xl9 s LYS 163 Ca -0.03 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1xl9 s LYS 163 Cb -0.02 -3.49 0.09 0.00 -1.51 0.00 0.00 37.83 32.90 1xl9 s LYS 163 CO -0.00 -0.32 0.14 0.34 -0.36 0.00 0.00 175.35 175.15 1xl9 s ASP 164 N 1.63 5.13 -0.29 1.43 -1.08 -0.52 -1.29 116.67 121.68 1xl9 s ASP 164 Ca 0.05 -1.84 0.11 0.00 -0.52 0.00 0.00 52.55 50.35 1xl9 s ASP 164 Cb -0.16 -1.79 0.61 0.00 -1.46 0.00 0.00 42.92 40.12 1xl9 s ASP 164 CO 0.06 -0.46 1.62 0.00 0.52 0.00 0.00 175.17 176.91 1xl9 n ALA 165 N 4.58 4.21 0.78 3.66 0.00 -0.32 -1.92 120.51 131.49 1xl9 n ALA 165 Ca -0.05 -2.65 0.08 0.00 0.00 0.00 0.00 53.44 50.83 1xl9 n ALA 165 Cb 0.42 -0.98 0.41 0.00 0.00 0.00 0.00 19.45 19.30 1xl9 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl9 n GLY 166 N -0.66 -0.81 2.58 0.00 0.00 -1.25 -4.61 105.19 100.45 1xl9 n GLY 166 Ca 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 1xl9 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl9 n GLY 167 N 0.08 0.48 2.94 -0.02 0.00 -1.26 -4.98 105.19 102.44 1xl9 n GLY 167 Ca 0.08 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1xl9 n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xl9 s ASP 168 N -2.21 4.01 0.00 1.61 -1.08 -1.26 -4.98 116.67 112.75 1xl9 s ASP 168 Ca 0.00 -1.33 0.22 0.00 -0.52 0.00 0.00 52.55 50.92 1xl9 s ASP 168 Cb 0.00 -1.23 0.93 0.00 -1.46 0.00 0.00 42.92 41.16 1xl9 s ASP 168 CO 0.00 -0.26 1.70 1.33 0.52 0.00 0.00 175.17 178.46 1xl9 n VAL 169 N 4.62 0.50 0.10 1.11 0.24 -1.26 -2.70 118.33 120.93 1xl9 n VAL 169 Ca -0.10 0.12 -0.17 0.00 -2.04 0.00 0.00 64.34 62.15 1xl9 n VAL 169 Cb 0.43 -0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 31.91 1xl9 n VAL 169 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xl9 h LEU 170 N 0.00 0.47 -0.58 1.34 3.38 -1.99 -1.60 115.31 116.33 1xl9 h LEU 170 Ca 0.00 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1xl9 h LEU 170 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xl9 h LEU 170 CO 0.00 1.43 0.38 0.74 0.09 0.00 0.00 178.44 181.08 1xl9 h THR 171 N 0.08 1.14 -0.04 0.22 2.02 -1.97 -2.92 112.91 111.44 1xl9 h THR 171 Ca -0.18 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.77 1xl9 h THR 171 Cb 2.01 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1xl9 h THR 171 CO 0.20 0.14 -0.23 0.24 0.37 0.00 0.00 175.52 176.25 1xl9 h MET 172 N 0.78 -0.32 -0.92 6.66 2.86 -1.49 -2.28 114.93 120.21 1xl9 h MET 172 Ca 0.22 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.04 1xl9 h MET 172 Cb -0.08 0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 1xl9 h MET 172 CO -0.05 -0.21 0.52 0.00 1.06 0.00 0.00 176.91 178.22 1xl9 h THR 173 N -0.33 0.73 -0.07 2.22 1.03 -1.27 -0.82 112.91 114.39 1xl9 h THR 173 Ca 0.07 -0.24 -0.13 0.00 -0.01 0.00 0.00 66.41 66.10 1xl9 h THR 173 Cb 0.44 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.47 1xl9 h THR 173 CO -0.23 0.13 -0.54 -0.08 -0.01 0.00 0.00 175.52 174.78 1xl9 h GLU 174 N 0.70 0.19 -0.40 0.00 4.81 -1.25 0.12 114.58 118.75 1xl9 h GLU 174 Ca 0.51 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1xl9 h GLU 174 Cb 0.74 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1xl9 h GLU 174 CO -0.37 0.69 -0.12 0.82 -0.73 0.00 0.00 179.01 179.30 1xl9 h ILE 175 N 0.15 1.28 0.27 2.32 2.04 -0.84 -1.84 117.51 120.88 1xl9 h ILE 175 Ca 0.00 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1xl9 h ILE 175 Cb 1.01 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1xl9 h ILE 175 CO 0.08 0.41 -0.13 0.40 0.00 0.00 0.00 178.15 178.91 1xl9 h ILE 176 N 0.61 0.76 0.09 -0.67 2.04 -0.60 -1.91 117.51 117.84 1xl9 h ILE 176 Ca 0.10 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1xl9 h ILE 176 Cb 0.65 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1xl9 h ILE 176 CO 0.04 0.04 -0.40 -0.08 0.00 0.00 0.00 178.15 177.76 1xl9 h GLU 177 N -0.46 -0.59 -0.00 2.37 4.57 -1.00 -3.12 114.58 116.34 1xl9 h GLU 177 Ca -0.04 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xl9 h GLU 177 Cb 0.35 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1xl9 h GLU 177 CO 0.06 -0.39 -0.11 1.63 -1.18 0.00 0.00 179.01 179.02 1xl9 n LYS 178 N -5.45 0.14 -3.86 1.92 5.02 -0.70 -4.74 118.16 110.49 1xl9 n LYS 178 Ca -0.07 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 1xl9 n LYS 178 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1xl9 n LYS 178 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xl9 s THR 179 N -2.88 5.30 1.06 -0.18 -4.23 -0.72 -4.99 115.64 108.99 1xl9 s THR 179 Ca 0.17 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 60.03 1xl9 s THR 179 Cb 0.19 -3.71 0.13 0.00 1.34 0.00 0.00 72.50 70.45 1xl9 s THR 179 CO 0.55 -0.06 0.48 0.00 -0.54 0.00 0.00 174.62 175.04 1xl9 n ALA 180 N -0.39 -3.03 0.26 3.99 0.00 -1.26 -4.87 120.51 115.22 1xl9 n ALA 180 Ca -0.06 -0.98 0.15 0.00 0.00 0.00 0.00 53.44 52.56 1xl9 n ALA 180 Cb 0.53 -1.79 0.63 0.00 0.00 0.00 0.00 19.45 18.82 1xl9 n ALA 180 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xl9 h ASP 181 N -2.04 0.00 -0.32 0.00 3.32 -1.95 -3.05 116.42 112.37 1xl9 h ASP 181 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1xl9 h ASP 181 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1xl9 h ASP 181 CO 0.40 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.07 1xl9 n ASP 182 N -3.18 3.06 -4.31 6.45 5.75 -1.26 -4.75 116.55 118.31 1xl9 n ASP 182 Ca 0.00 -2.35 -0.39 0.00 -0.01 0.00 0.00 54.79 52.05 1xl9 n ASP 182 Cb 0.33 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.81 1xl9 n ASP 182 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1xl9 s PHE 183 N -1.79 3.27 -0.00 2.11 5.36 -1.16 -4.86 117.98 120.91 1xl9 s PHE 183 Ca 0.27 -1.29 -0.30 0.00 -0.96 0.00 0.00 56.93 54.65 1xl9 s PHE 183 Cb 0.19 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1xl9 s PHE 183 CO 0.11 -0.73 0.97 0.00 -1.46 0.00 0.00 175.22 174.11 1xl9 s ALA 184 N 1.46 3.17 -0.24 11.12 0.00 -0.65 -4.94 121.76 131.68 1xl9 s ALA 184 Ca 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1xl9 s ALA 184 Cb -0.20 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1xl9 s ALA 184 CO 0.04 -0.24 -0.04 0.08 0.00 0.00 0.00 175.76 175.61 1xl9 s VAL 185 N 1.03 3.22 -0.10 0.00 1.01 -1.26 -1.64 120.40 122.66 1xl9 s VAL 185 Ca 0.51 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1xl9 s VAL 185 Cb -0.21 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1xl9 s VAL 185 CO 0.27 0.28 -0.00 -0.31 0.00 0.00 0.00 175.10 175.35 1xl9 s TYR 186 N 1.41 3.15 0.54 5.22 2.02 -0.74 0.24 117.35 129.20 1xl9 s TYR 186 Ca 0.03 0.14 -0.22 0.00 -0.37 0.00 0.00 57.07 56.65 1xl9 s TYR 186 Cb -0.16 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1xl9 s TYR 186 CO -0.03 0.40 1.37 0.45 -1.57 0.00 0.00 175.55 176.17 1xl9 n SER 187 N 2.35 2.76 -0.32 2.29 2.88 -0.56 -1.44 113.62 121.57 1xl9 n SER 187 Ca -0.18 0.99 0.06 0.00 -1.33 0.00 0.00 58.87 58.41 1xl9 n SER 187 Cb 0.53 -1.58 0.13 0.00 -0.75 0.00 0.00 64.21 62.54 1xl9 n SER 187 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xl9 n GLY 188 N 0.74 3.85 2.87 0.46 0.00 -0.81 -1.30 105.19 111.00 1xl9 n GLY 188 Ca 0.10 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1xl9 n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xl9 s ASP 189 N -1.86 2.91 0.21 1.61 1.01 -1.26 -4.68 116.67 114.60 1xl9 s ASP 189 Ca 0.24 -0.72 -0.10 0.00 0.71 0.00 0.00 52.55 52.68 1xl9 s ASP 189 Cb 0.19 -0.88 0.30 0.00 1.01 0.00 0.00 42.92 43.54 1xl9 s ASP 189 CO 0.06 -0.21 1.70 0.44 0.21 0.00 0.00 175.17 177.37 1xl9 h ASP 190 N 8.13 -0.04 0.42 0.27 3.32 -1.92 -1.39 116.42 125.20 1xl9 h ASP 190 Ca -0.22 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1xl9 h ASP 190 Cb 1.11 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1xl9 h ASP 190 CO 0.39 -0.01 -0.20 1.23 -1.72 0.00 0.00 179.24 178.92 1xl9 h GLY 191 N 0.24 0.00 -0.42 2.75 0.00 -1.94 -1.92 103.07 101.78 1xl9 h GLY 191 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1xl9 h GLY 191 CO -0.42 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.16 1xl9 n LEU 192 N -3.80 0.95 -0.11 3.11 4.77 -0.53 -4.43 117.00 116.96 1xl9 n LEU 192 Ca -0.02 -0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 55.48 1xl9 n LEU 192 Cb 0.31 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1xl9 n LEU 192 CO 0.33 0.22 0.76 0.74 -1.33 0.00 0.00 177.39 178.11 1xl9 h THR 193 N 1.14 0.52 -0.01 -5.08 2.02 -1.38 0.44 112.91 110.56 1xl9 h THR 193 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1xl9 h THR 193 Cb 0.26 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1xl9 h THR 193 CO 0.00 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.09 1xl9 h LEU 194 N -0.07 0.06 -1.68 2.58 5.85 -1.83 -1.83 115.31 118.39 1xl9 h LEU 194 Ca 0.19 -0.68 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1xl9 h LEU 194 Cb 0.36 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1xl9 h LEU 194 CO -0.43 0.73 -0.12 1.55 -0.34 0.00 0.00 178.44 179.83 1xl9 h PRO 195 N -0.62 0.05 -0.12 5.25 0.13 -1.84 0.64 132.00 135.50 1xl9 h PRO 195 Ca -0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1xl9 h PRO 195 Cb 0.73 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1xl9 h PRO 195 CO 0.01 0.18 -0.10 0.00 -0.23 0.00 0.00 178.00 177.86 1xl9 h ALA 196 N 1.83 0.17 -0.09 -0.56 0.00 -0.88 -2.81 119.26 116.92 1xl9 h ALA 196 Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1xl9 h ALA 196 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xl9 h ALA 196 CO 0.02 0.00 -0.43 0.52 0.00 0.00 0.00 179.25 179.36 1xl9 h MET 197 N -0.12 0.20 -0.97 0.00 2.86 -1.18 -0.17 114.93 115.57 1xl9 h MET 197 Ca 0.02 -0.10 0.24 0.00 -2.06 0.00 0.00 59.70 57.80 1xl9 h MET 197 Cb 0.61 -0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.14 1xl9 h MET 197 CO 0.03 0.60 0.53 0.00 1.06 0.00 0.00 176.91 179.13 1xl9 h ALA 198 N 1.38 1.68 -0.07 6.32 0.00 -0.74 -2.27 119.26 125.57 1xl9 h ALA 198 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xl9 h ALA 198 Cb 0.84 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xl9 h ALA 198 CO 0.07 -0.29 0.00 1.33 0.00 0.00 0.00 179.25 180.35 1xl9 n VAL 199 N -4.94 0.07 0.00 0.00 0.24 -0.76 -4.92 118.33 108.02 1xl9 n VAL 199 Ca 0.25 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1xl9 n VAL 199 Cb 0.72 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 1xl9 n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 200 N 1.28 1.00 3.65 7.63 0.00 -0.85 -4.86 105.19 113.04 1xl9 n GLY 200 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1xl9 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl9 n ALA 201 N -0.01 0.65 0.29 4.61 0.00 -0.15 -4.85 120.51 121.05 1xl9 n ALA 201 Ca 0.00 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1xl9 n ALA 201 Cb 0.00 -2.17 0.27 0.00 0.00 0.00 0.00 19.45 17.56 1xl9 n ALA 201 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xl9 h LYS 202 N 1.54 0.00 0.00 0.00 3.64 -0.54 -3.39 116.57 117.82 1xl9 h LYS 202 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xl9 h LYS 202 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1xl9 h LYS 202 CO 0.57 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.16 1xl9 n GLY 203 N 0.97 -0.53 3.02 5.01 0.00 -1.26 -4.57 105.19 107.84 1xl9 n GLY 203 Ca 0.04 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1xl9 n GLY 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xl9 s ILE 204 N -3.71 0.67 -0.53 -0.61 1.10 0.13 -1.49 121.20 116.76 1xl9 s ILE 204 Ca 0.00 -0.47 -0.16 0.00 -0.51 0.00 0.00 60.65 59.51 1xl9 s ILE 204 Cb 0.00 -0.58 0.11 0.00 0.15 0.00 0.00 42.46 42.14 1xl9 s ILE 204 CO 0.00 0.12 0.50 -0.69 -2.11 0.00 0.00 174.94 172.76 1xl9 s VAL 205 N -0.35 5.16 0.15 4.00 1.01 -0.42 -0.88 120.40 129.07 1xl9 s VAL 205 Ca 0.02 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1xl9 s VAL 205 Cb -0.04 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1xl9 s VAL 205 CO -0.00 -0.82 0.19 -0.55 0.00 0.00 0.00 175.10 173.92 1xl9 s SER 206 N 3.32 5.86 -0.12 3.32 0.15 0.05 -4.57 113.70 121.70 1xl9 s SER 206 Ca 0.05 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.66 1xl9 s SER 206 Cb -0.28 -1.64 -0.06 0.00 -1.71 0.00 0.00 66.02 62.33 1xl9 s SER 206 CO 0.05 0.07 -0.14 0.52 1.20 0.00 0.00 173.24 174.93 1xl9 n VAL 207 N -0.36 0.69 0.29 4.45 0.31 -1.26 -0.98 118.33 121.46 1xl9 n VAL 207 Ca -0.08 -0.21 0.18 0.00 -0.01 0.00 0.00 64.34 64.22 1xl9 n VAL 207 Cb 0.54 -1.40 0.89 0.00 -0.91 0.00 0.00 33.84 32.96 1xl9 n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xl9 h ALA 208 N -0.29 1.43 0.00 3.52 0.00 -1.96 -2.07 119.26 119.90 1xl9 h ALA 208 Ca -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xl9 h ALA 208 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xl9 h ALA 208 CO -0.14 -0.31 0.00 0.66 0.00 0.00 0.00 179.25 179.46 1xl9 h SER 209 N 0.00 0.00 -0.81 0.00 4.64 -1.85 0.09 113.55 115.62 1xl9 h SER 209 Ca 0.04 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.48 1xl9 h SER 209 Cb 0.57 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.57 1xl9 h SER 209 CO -0.00 0.00 0.41 0.45 -0.87 0.00 0.00 176.83 176.82 1xl9 h HIS 210 N 0.00 0.72 0.00 4.77 3.86 -1.71 -3.13 115.15 119.67 1xl9 h HIS 210 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xl9 h HIS 210 Cb 0.17 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1xl9 h HIS 210 CO 0.00 0.20 -0.60 1.33 0.86 0.00 0.00 177.93 179.72 1xl9 n VAL 211 N -4.87 0.00 -2.69 2.45 0.24 -0.52 -4.81 118.33 108.13 1xl9 n VAL 211 Ca 0.15 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1xl9 n VAL 211 Cb 0.38 0.72 0.04 0.00 -1.47 0.00 0.00 33.84 33.51 1xl9 n VAL 211 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xl9 n ILE 212 N -1.31 1.44 -0.16 1.34 -5.35 -0.09 -4.94 119.36 110.29 1xl9 n ILE 212 Ca -0.00 -3.17 -0.07 0.00 -0.27 0.00 0.00 62.75 59.24 1xl9 n ILE 212 Cb 0.03 0.82 0.02 0.00 -1.74 0.00 0.00 39.64 38.77 1xl9 n ILE 212 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1xl9 h GLY 213 N 2.60 0.68 0.95 3.28 0.00 -1.71 -2.27 103.07 106.60 1xl9 h GLY 213 Ca -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1xl9 h GLY 213 CO 0.32 0.25 0.17 3.43 0.00 0.00 0.00 176.54 180.71 1xl9 h ASN 214 N 0.65 0.62 -0.64 0.19 2.35 -1.87 0.47 115.58 117.35 1xl9 h ASN 214 Ca 0.17 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xl9 h ASN 214 Cb -0.07 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1xl9 h ASN 214 CO -0.04 0.62 0.27 -0.33 -1.65 0.00 0.00 177.43 176.31 1xl9 h GLU 215 N 0.57 0.97 -0.30 0.81 3.07 -1.90 -0.15 114.58 117.65 1xl9 h GLU 215 Ca 0.15 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 1xl9 h GLU 215 Cb 0.20 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1xl9 h GLU 215 CO -0.01 0.78 -0.25 0.52 -1.40 0.00 0.00 179.01 178.65 1xl9 h MET 216 N 0.95 0.71 -0.69 2.33 2.86 -1.15 -1.13 114.93 118.81 1xl9 h MET 216 Ca 0.23 -0.36 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1xl9 h MET 216 Cb 0.17 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 1xl9 h MET 216 CO -0.02 0.97 0.41 0.37 1.06 0.00 0.00 176.91 179.69 1xl9 h GLN 217 N 0.46 0.74 -0.26 1.72 4.15 -0.57 -1.10 115.11 120.25 1xl9 h GLN 217 Ca 0.05 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1xl9 h GLN 217 Cb 0.81 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1xl9 h GLN 217 CO 0.07 0.49 0.10 1.49 -1.93 0.00 0.00 178.83 179.04 1xl9 h GLU 218 N 0.76 0.39 -0.85 1.69 4.57 -1.00 -1.77 114.58 118.38 1xl9 h GLU 218 Ca 0.30 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.49 1xl9 h GLU 218 Cb 0.13 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 1xl9 h GLU 218 CO -0.16 0.43 0.51 1.98 -1.18 0.00 0.00 179.01 180.59 1xl9 h MET 219 N 0.26 0.86 -0.35 1.92 4.05 -0.87 0.80 114.93 121.60 1xl9 h MET 219 Ca 0.09 -0.05 -0.17 0.00 -0.28 0.00 0.00 59.70 59.28 1xl9 h MET 219 Cb 0.19 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1xl9 h MET 219 CO -0.01 0.57 -0.45 0.82 0.23 0.00 0.00 176.91 178.07 1xl9 h ILE 220 N 0.88 1.27 -0.31 1.77 2.04 -1.14 -1.41 117.51 120.62 1xl9 h ILE 220 Ca 0.39 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1xl9 h ILE 220 Cb 0.28 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1xl9 h ILE 220 CO -0.21 0.54 0.07 0.00 0.00 0.00 0.00 178.15 178.54 1xl9 h ALA 221 N 0.75 0.41 -0.22 1.87 0.00 -1.11 0.05 119.26 121.01 1xl9 h ALA 221 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xl9 h ALA 221 Cb 1.05 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1xl9 h ALA 221 CO 0.11 0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.34 1xl9 h ALA 222 N 0.90 0.09 -0.21 0.00 0.00 -0.80 -2.26 119.26 116.99 1xl9 h ALA 222 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1xl9 h ALA 222 Cb 0.31 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xl9 h ALA 222 CO 0.00 -0.52 0.02 0.35 0.00 0.00 0.00 179.25 179.11 1xl9 h PHE 223 N -0.07 0.38 0.00 0.00 3.57 -1.15 -1.31 116.94 118.36 1xl9 h PHE 223 Ca 0.12 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xl9 h PHE 223 Cb 0.24 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1xl9 h PHE 223 CO -0.27 0.51 -0.06 1.96 -2.23 0.00 0.00 178.31 178.22 1xl9 h GLN 224 N 0.13 0.00 0.00 1.11 4.20 -0.96 -1.51 115.11 118.08 1xl9 h GLN 224 Ca 0.06 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1xl9 h GLN 224 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1xl9 h GLN 224 CO 0.01 0.06 -0.65 0.00 -0.67 0.00 0.00 178.83 177.57 1xl9 h ALA 225 N 1.94 0.71 0.00 3.87 0.00 -1.08 -3.48 119.26 121.22 1xl9 h ALA 225 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xl9 h ALA 225 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xl9 h ALA 225 CO 0.01 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1xl9 n GLY 226 N 1.23 1.14 3.33 0.00 0.00 -0.57 -5.03 105.19 105.28 1xl9 n GLY 226 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1xl9 n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xl9 s GLU 227 N -0.16 4.07 0.41 1.61 -6.30 -0.55 -4.86 118.70 112.92 1xl9 s GLU 227 Ca 0.00 -3.11 0.22 0.00 -2.50 0.00 0.00 54.97 49.58 1xl9 s GLU 227 Cb 0.00 -4.51 0.76 0.00 0.00 0.00 0.00 34.13 30.38 1xl9 s GLU 227 CO 0.00 -1.25 1.76 0.74 0.02 0.00 0.00 175.26 176.53 1xl9 h PHE 228 N 6.80 0.00 0.75 5.30 0.04 -1.91 -2.13 116.94 125.78 1xl9 h PHE 228 Ca 0.17 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 1xl9 h PHE 228 Cb 0.90 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.05 1xl9 h PHE 228 CO 0.80 0.27 -0.36 0.87 -0.60 0.00 0.00 178.31 179.28 1xl9 h LYS 229 N 0.00 -0.97 -0.07 1.51 6.56 -1.97 -1.73 116.57 119.90 1xl9 h LYS 229 Ca -0.00 0.07 -0.15 0.00 -1.06 0.00 0.00 60.65 59.50 1xl9 h LYS 229 Cb 0.86 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 32.73 1xl9 h LYS 229 CO 0.03 -0.64 -0.61 -0.22 -2.06 0.00 0.00 179.45 175.95 1xl9 h LYS 230 N -1.01 0.25 0.30 3.15 3.64 -1.96 -1.89 116.57 119.05 1xl9 h LYS 230 Ca -0.10 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1xl9 h LYS 230 Cb 0.77 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1xl9 h LYS 230 CO 0.17 0.78 -0.27 0.00 -2.27 0.00 0.00 179.45 177.86 1xl9 h ALA 231 N 1.17 -0.59 -0.80 5.00 0.00 -1.41 -1.81 119.26 120.82 1xl9 h ALA 231 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xl9 h ALA 231 Cb 1.12 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1xl9 h ALA 231 CO 0.10 -0.86 0.52 1.96 0.00 0.00 0.00 179.25 180.97 1xl9 h GLN 232 N -0.59 0.89 -0.44 0.00 4.20 -1.22 0.16 115.11 118.10 1xl9 h GLN 232 Ca -0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1xl9 h GLN 232 Cb 0.54 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1xl9 h GLN 232 CO -0.04 0.59 0.11 -0.22 -0.67 0.00 0.00 178.83 178.60 1xl9 h LYS 233 N 0.91 0.71 -0.15 1.46 3.64 -1.17 -2.18 116.57 119.80 1xl9 h LYS 233 Ca 0.33 -0.17 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1xl9 h LYS 233 Cb 0.15 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xl9 h LYS 233 CO -0.11 0.71 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.05 1xl9 h LEU 234 N 0.59 0.67 -1.29 5.20 3.38 -1.02 -2.92 115.31 119.91 1xl9 h LEU 234 Ca 0.14 -0.40 0.15 0.00 0.09 0.00 0.00 57.88 57.86 1xl9 h LEU 234 Cb 0.32 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1xl9 h LEU 234 CO 0.00 1.15 0.58 -0.74 0.09 0.00 0.00 178.44 179.52 1xl9 h HIS 235 N 0.42 0.81 -0.14 1.13 2.76 -0.59 0.12 115.15 119.66 1xl9 h HIS 235 Ca -0.02 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.00 1xl9 h HIS 235 Cb 1.24 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 1xl9 h HIS 235 CO 0.06 0.29 -0.64 1.96 -1.30 0.00 0.00 177.93 178.29 1xl9 h GLN 236 N 0.68 0.52 -0.27 5.26 4.20 -1.33 -2.07 115.11 122.10 1xl9 h GLN 236 Ca 0.45 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1xl9 h GLN 236 Cb 0.75 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1xl9 h GLN 236 CO -0.21 0.99 0.13 1.25 -0.67 0.00 0.00 178.83 180.32 1xl9 h LEU 237 N 0.38 0.36 -0.15 1.46 5.85 -1.17 -2.87 115.31 119.17 1xl9 h LEU 237 Ca -0.01 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1xl9 h LEU 237 Cb 1.21 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1xl9 h LEU 237 CO 0.12 0.39 -0.30 0.25 -0.34 0.00 0.00 178.44 178.55 1xl9 h LEU 238 N 0.30 -0.94 -0.57 2.25 6.46 -0.70 -1.32 115.31 120.79 1xl9 h LEU 238 Ca 0.09 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1xl9 h LEU 238 Cb 0.13 0.41 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1xl9 h LEU 238 CO -0.01 -0.34 0.37 0.58 -0.62 0.00 0.00 178.44 178.42 1xl9 h VAL 239 N -0.36 1.15 -0.55 1.05 2.07 -1.45 0.24 116.25 118.41 1xl9 h VAL 239 Ca 0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1xl9 h VAL 239 Cb 0.53 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1xl9 h VAL 239 CO -0.36 0.15 0.26 -0.09 0.02 0.00 0.00 177.57 177.56 1xl9 h ARG 240 N 0.77 0.79 0.48 1.57 2.43 -1.22 -2.03 114.38 117.17 1xl9 h ARG 240 Ca 0.21 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1xl9 h ARG 240 Cb -0.07 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1xl9 h ARG 240 CO -0.04 0.64 -0.23 0.28 -1.51 0.00 0.00 179.97 179.11 1xl9 h VAL 241 N 0.74 0.13 -0.86 0.20 2.07 -0.93 -2.85 116.25 114.74 1xl9 h VAL 241 Ca 0.19 -0.54 0.17 0.00 0.82 0.00 0.00 66.70 67.34 1xl9 h VAL 241 Cb 0.12 0.20 -0.16 0.00 -1.52 0.00 0.00 31.29 29.93 1xl9 h VAL 241 CO -0.02 0.03 -0.23 0.41 0.02 0.00 0.00 177.57 177.78 1xl9 n THR 242 N -5.21 -0.37 -0.36 2.57 -1.04 0.05 -0.21 114.28 109.70 1xl9 n THR 242 Ca -0.09 1.98 0.04 0.00 -2.04 0.00 0.00 64.05 63.94 1xl9 n THR 242 Cb 0.28 -2.73 0.21 0.00 -1.82 0.00 0.00 70.33 66.27 1xl9 n THR 242 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1xl9 h ASP 243 N 0.00 0.99 0.61 8.00 5.19 -1.30 -2.28 116.42 127.63 1xl9 h ASP 243 Ca 0.40 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1xl9 h ASP 243 Cb 0.62 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1xl9 h ASP 243 CO -0.89 0.60 0.00 -1.54 -3.12 0.00 0.00 179.24 174.29 1xl9 n SER 244 N -4.54 0.09 -0.94 6.45 3.41 0.71 -2.90 113.62 115.90 1xl9 n SER 244 Ca 0.17 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1xl9 n SER 244 Cb 0.25 -0.54 0.17 0.00 -0.26 0.00 0.00 64.21 63.83 1xl9 n SER 244 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xl9 n LEU 245 N -1.60 2.90 -0.66 1.04 4.32 -0.86 -4.25 117.00 117.90 1xl9 n LEU 245 Ca 0.04 -1.03 0.03 0.00 -0.02 0.00 0.00 56.01 55.03 1xl9 n LEU 245 Cb 0.20 -0.05 0.05 0.00 -1.62 0.00 0.00 43.42 42.00 1xl9 n LEU 245 CO 0.16 0.52 0.27 0.49 -1.22 0.00 0.00 177.39 177.61 1xl9 n PHE 246 N 1.23 0.00 0.23 -1.77 3.72 -1.14 -4.53 117.46 115.19 1xl9 n PHE 246 Ca 0.16 -0.42 0.12 0.00 -0.05 0.00 0.00 57.45 57.25 1xl9 n PHE 246 Cb 0.57 -0.11 0.12 0.00 -0.94 0.00 0.00 39.48 39.12 1xl9 n PHE 246 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1xl9 h MET 247 N 0.31 0.00 -5.75 -1.08 2.86 -1.74 -3.45 114.93 106.09 1xl9 h MET 247 Ca -0.05 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.10 1xl9 h MET 247 Cb 1.41 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.92 1xl9 h MET 247 CO 0.02 0.00 -0.75 0.00 1.06 0.00 0.00 176.91 177.25 1xl9 s ALA 248 N -3.26 2.15 0.35 6.32 0.00 -1.26 -5.11 121.76 120.95 1xl9 s ALA 248 Ca 0.04 -1.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.04 1xl9 s ALA 248 Cb 0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 23.12 22.95 1xl9 s ALA 248 CO 0.72 0.13 1.51 -2.30 0.00 0.00 0.00 175.76 175.82 1xl9 n PRO 249 N -0.32 2.64 -2.80 0.00 -0.02 -1.26 -4.73 135.00 128.51 1xl9 n PRO 249 Ca -0.08 0.93 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 1xl9 n PRO 249 Cb 0.60 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 1xl9 n PRO 249 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xl9 s SER 250 N 0.07 7.52 -0.22 2.55 0.15 -1.26 -2.33 113.70 120.18 1xl9 s SER 250 Ca 0.57 1.81 0.12 0.00 0.70 0.00 0.00 55.95 59.14 1xl9 s SER 250 Cb -0.49 -2.57 0.44 0.00 -1.71 0.00 0.00 66.02 61.68 1xl9 s SER 250 CO 0.58 0.08 1.30 -0.81 1.20 0.00 0.00 173.24 175.60 1xl9 n PRO 251 N 2.04 1.69 -0.18 5.44 -0.04 -1.26 -4.93 135.00 137.77 1xl9 n PRO 251 Ca -0.01 -3.16 -0.08 0.00 -0.04 0.00 0.00 63.50 60.21 1xl9 n PRO 251 Cb 0.48 -1.68 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1xl9 n PRO 251 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xl9 h THR 252 N 0.92 1.20 -0.26 0.52 2.02 -1.78 -2.17 112.91 113.36 1xl9 h THR 252 Ca 0.07 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1xl9 h THR 252 Cb 1.23 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1xl9 h THR 252 CO 0.13 0.23 0.09 -0.65 0.37 0.00 0.00 175.52 175.70 1xl9 h PRO 253 N 0.68 0.21 -0.03 6.66 0.11 -1.80 -2.50 132.00 135.33 1xl9 h PRO 253 Ca 0.17 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.07 1xl9 h PRO 253 Cb 0.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1xl9 h PRO 253 CO -0.02 0.14 -0.82 -0.24 -0.21 0.00 0.00 178.00 176.85 1xl9 h VAL 254 N 0.22 1.42 -0.92 3.15 3.04 -1.73 0.27 116.25 121.69 1xl9 h VAL 254 Ca 0.11 -2.35 0.13 0.00 -1.01 0.00 0.00 66.70 63.59 1xl9 h VAL 254 Cb 0.08 2.29 -0.09 0.00 -2.01 0.00 0.00 31.29 31.56 1xl9 h VAL 254 CO -0.11 0.70 0.54 0.11 -1.01 0.00 0.00 177.57 177.79 1xl9 h LYS 255 N 0.21 0.79 -0.13 4.17 1.57 -1.44 -0.27 116.57 121.46 1xl9 h LYS 255 Ca -0.05 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1xl9 h LYS 255 Cb 1.42 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1xl9 h LYS 255 CO 0.14 0.52 -0.23 1.15 -0.57 0.00 0.00 179.45 180.45 1xl9 h THR 256 N 0.81 1.37 -0.71 -0.16 2.02 -0.95 -2.80 112.91 112.49 1xl9 h THR 256 Ca 0.48 -1.49 0.13 0.00 0.77 0.00 0.00 66.41 66.30 1xl9 h THR 256 Cb 0.57 2.02 -0.09 0.00 -1.74 0.00 0.00 68.15 68.91 1xl9 h THR 256 CO -0.31 0.44 0.25 0.00 0.37 0.00 0.00 175.52 176.27 1xl9 h ALA 257 N 0.55 0.96 -0.35 6.16 0.00 -0.90 -0.91 119.26 124.77 1xl9 h ALA 257 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xl9 h ALA 257 Cb 0.81 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1xl9 h ALA 257 CO 0.05 -0.23 0.19 -0.07 0.00 0.00 0.00 179.25 179.19 1xl9 h LEU 258 N 0.40 0.42 -0.18 0.00 3.38 -0.88 -2.10 115.31 116.35 1xl9 h LEU 258 Ca 0.38 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 58.11 1xl9 h LEU 258 Cb 0.58 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1xl9 h LEU 258 CO -0.40 0.34 -0.84 -0.61 0.09 0.00 0.00 178.44 177.02 1xl9 h GLN 259 N 0.48 0.66 -0.65 1.13 -0.00 -0.90 0.33 115.11 116.16 1xl9 h GLN 259 Ca 0.13 -0.59 -0.03 0.00 -0.00 0.00 0.00 58.65 58.15 1xl9 h GLN 259 Cb 0.01 0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.60 1xl9 h GLN 259 CO -0.02 1.20 0.27 0.52 0.00 0.00 0.00 178.83 180.79 1xl9 h MET 260 N 0.43 0.95 -0.16 1.69 2.86 -0.64 -2.52 114.93 117.54 1xl9 h MET 260 Ca -0.07 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1xl9 h MET 260 Cb 1.47 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1xl9 h MET 260 CO 0.16 0.77 0.00 1.33 1.06 0.00 0.00 176.91 180.23 1xl9 n VAL 261 N -4.31 0.20 0.00 -2.22 0.24 -0.85 -4.96 118.33 106.44 1xl9 n VAL 261 Ca 0.06 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1xl9 n VAL 261 Cb 0.17 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1xl9 n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 262 N 1.20 1.43 2.64 7.63 0.00 -0.95 -5.07 105.19 112.07 1xl9 n GLY 262 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1xl9 n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xl9 s LEU 263 N 0.00 1.68 0.04 0.99 0.20 0.11 -4.99 118.68 116.71 1xl9 s LEU 263 Ca 0.00 -1.78 -0.30 0.00 0.69 0.00 0.00 54.13 52.74 1xl9 s LEU 263 Cb 0.00 -0.69 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 1xl9 s LEU 263 CO 0.00 -0.38 1.02 -0.62 -0.29 0.00 0.00 176.35 176.08 1xl9 s ASP 264 N 1.47 7.33 -0.14 3.68 -1.08 -1.26 -2.42 116.67 124.25 1xl9 s ASP 264 Ca 0.12 1.77 0.16 0.00 -0.52 0.00 0.00 52.55 54.08 1xl9 s ASP 264 Cb -0.19 -2.58 0.43 0.00 -1.46 0.00 0.00 42.92 39.12 1xl9 s ASP 264 CO -0.20 -0.27 1.20 1.33 0.52 0.00 0.00 175.17 177.75 1xl9 n VAL 265 N 3.66 1.45 -4.66 1.11 0.24 -1.26 -4.98 118.33 113.88 1xl9 n VAL 265 Ca 0.06 -2.49 0.00 0.00 -2.04 0.00 0.00 64.34 59.87 1xl9 n VAL 265 Cb 0.50 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1xl9 n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 266 N -0.55 0.14 0.00 7.63 0.00 -1.23 -2.10 105.19 109.08 1xl9 n GLY 266 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1xl9 n GLY 266 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xl9 n SER 267 N -1.98 0.21 -4.52 1.61 2.88 -1.26 -4.82 113.62 105.73 1xl9 n SER 267 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1xl9 n SER 267 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1xl9 n SER 267 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xl9 s VAL 268 N 2.36 1.67 0.02 2.46 -7.23 -1.26 -4.50 120.40 113.92 1xl9 s VAL 268 Ca 0.00 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1xl9 s VAL 268 Cb 0.00 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1xl9 s VAL 268 CO 0.00 -0.07 0.17 -0.13 -0.31 0.00 0.00 175.10 174.75 1xl9 s ARG 269 N -3.77 3.34 0.20 4.82 0.52 -1.26 -4.90 118.95 117.91 1xl9 s ARG 269 Ca 0.34 -0.41 -0.33 0.00 -0.52 0.00 0.00 55.73 54.82 1xl9 s ARG 269 Cb 0.08 -3.02 -0.13 0.00 0.52 0.00 0.00 34.95 32.40 1xl9 s ARG 269 CO 0.16 0.64 1.57 1.28 0.02 0.00 0.00 175.30 178.97 1xl9 n LEU 270 N 0.74 3.41 -1.41 2.53 4.77 -1.26 -1.35 117.00 124.42 1xl9 n LEU 270 Ca -0.09 1.10 0.10 0.00 -0.03 0.00 0.00 56.01 57.09 1xl9 n LEU 270 Cb 0.52 -1.47 0.33 0.00 -2.33 0.00 0.00 43.42 40.46 1xl9 n LEU 270 CO 0.46 -0.20 0.78 -0.81 -1.33 0.00 0.00 177.39 176.29 1xl9 n PRO 271 N 3.07 3.08 -3.02 3.23 -0.04 -1.26 -4.96 135.00 135.10 1xl9 n PRO 271 Ca 0.15 -2.63 -0.33 0.00 -0.04 0.00 0.00 63.50 60.65 1xl9 n PRO 271 Cb 0.31 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1xl9 n PRO 271 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl9 s LEU 272 N -1.35 4.01 0.11 1.53 1.43 -0.45 -5.09 118.68 118.87 1xl9 s LEU 272 Ca 0.48 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.05 1xl9 s LEU 272 Cb 0.28 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1xl9 s LEU 272 CO 0.28 -0.26 -0.18 -0.76 0.23 0.00 0.00 176.35 175.66 1xl9 s LEU 273 N -3.09 2.35 0.57 1.79 1.43 -1.26 -4.58 118.68 115.88 1xl9 s LEU 273 Ca 0.56 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 1xl9 s LEU 273 Cb -0.10 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.32 1xl9 s LEU 273 CO 0.17 -0.03 0.67 -2.65 0.23 0.00 0.00 176.35 174.73 1xl9 n PRO 274 N 0.84 0.65 -1.87 1.29 -0.02 -1.26 -4.90 135.00 129.72 1xl9 n PRO 274 Ca -0.18 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.15 1xl9 n PRO 274 Cb 0.55 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1xl9 n PRO 274 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xl9 s LEU 275 N -0.04 4.26 0.26 2.45 1.02 -1.26 -4.98 118.68 120.39 1xl9 s LEU 275 Ca 0.70 2.92 -0.30 0.00 0.02 0.00 0.00 54.13 57.48 1xl9 s LEU 275 Cb -0.45 -3.77 -0.10 0.00 0.02 0.00 0.00 46.19 41.89 1xl9 s LEU 275 CO 0.52 -0.91 1.40 0.42 0.02 0.00 0.00 176.35 177.80 1xl9 s THR 276 N -1.16 2.73 0.11 5.49 -4.23 -1.26 -4.77 115.64 112.55 1xl9 s THR 276 Ca 0.55 0.64 0.06 0.00 -1.18 0.00 0.00 61.69 61.76 1xl9 s THR 276 Cb -0.44 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.10 1xl9 s THR 276 CO 0.58 0.11 0.48 1.21 -0.54 0.00 0.00 174.62 176.46 1xl9 n GLU 277 N 2.06 -0.02 -0.08 3.99 4.07 -1.26 0.16 120.64 129.55 1xl9 n GLU 277 Ca 0.05 0.42 -0.14 0.00 -0.06 0.00 0.00 57.16 57.43 1xl9 n GLU 277 Cb 0.41 -0.76 -0.05 0.00 -0.06 0.00 0.00 31.44 30.99 1xl9 n GLU 277 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1xl9 h GLU 278 N 0.00 0.78 -0.41 5.31 4.22 -2.00 -2.35 114.58 120.14 1xl9 h GLU 278 Ca 0.26 -0.47 -0.06 0.00 0.08 0.00 0.00 59.36 59.17 1xl9 h GLU 278 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1xl9 h GLU 278 CO -0.23 1.10 -0.00 0.93 -2.18 0.00 0.00 179.01 178.62 1xl9 h GLU 279 N 0.54 0.65 0.81 1.92 5.08 0.12 -2.51 114.58 121.18 1xl9 h GLU 279 Ca 0.02 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1xl9 h GLU 279 Cb 1.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1xl9 h GLU 279 CO 0.10 0.67 -0.43 0.00 -1.00 0.00 0.00 179.01 178.35 1xl9 h ARG 280 N 0.61 -1.10 -0.45 2.33 3.08 -0.91 -1.38 114.38 116.56 1xl9 h ARG 280 Ca 0.13 0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.34 1xl9 h ARG 280 Cb 0.39 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 1xl9 h ARG 280 CO 0.01 -0.74 -0.15 0.28 -1.07 0.00 0.00 179.97 178.31 1xl9 h VAL 281 N -1.15 0.48 -0.04 2.04 2.07 -1.42 0.33 116.25 118.57 1xl9 h VAL 281 Ca -0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1xl9 h VAL 281 Cb 0.90 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1xl9 h VAL 281 CO 0.16 0.00 -0.26 0.74 0.02 0.00 0.00 177.57 178.22 1xl9 h THR 282 N -0.04 0.40 -0.49 2.57 2.02 -1.38 -2.78 112.91 113.20 1xl9 h THR 282 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1xl9 h THR 282 Cb 0.38 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1xl9 h THR 282 CO -0.49 0.00 0.29 0.25 0.37 0.00 0.00 175.52 175.94 1xl9 h LEU 283 N -0.38 0.60 -1.62 2.58 5.85 -0.57 -2.96 115.31 118.81 1xl9 h LEU 283 Ca 0.07 -0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.92 1xl9 h LEU 283 Cb 0.49 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1xl9 h LEU 283 CO -0.26 0.50 0.57 -0.61 -0.34 0.00 0.00 178.44 178.30 1xl9 h GLN 284 N 0.66 0.32 0.00 1.25 5.75 -0.16 0.17 115.11 123.10 1xl9 h GLN 284 Ca 0.18 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1xl9 h GLN 284 Cb 0.02 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1xl9 h GLN 284 CO -0.03 0.21 -0.62 0.66 -2.65 0.00 0.00 178.83 176.40 1xl9 h SER 285 N 0.33 0.00 -0.15 -0.69 4.64 -1.33 -1.92 113.55 114.43 1xl9 h SER 285 Ca 0.42 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.53 1xl9 h SER 285 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1xl9 h SER 285 CO -0.13 0.03 -0.52 0.58 -0.87 0.00 0.00 176.83 175.92 1xl9 h VAL 286 N 0.00 1.33 -0.75 0.95 2.07 -0.94 -2.94 116.25 115.97 1xl9 h VAL 286 Ca 0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1xl9 h VAL 286 Cb 0.92 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1xl9 h VAL 286 CO 0.00 0.55 0.47 0.24 0.02 0.00 0.00 177.57 178.85 1xl9 h MET 287 N 0.28 1.00 0.00 1.57 2.07 -1.12 -1.29 114.93 117.44 1xl9 h MET 287 Ca -0.02 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 1xl9 h MET 287 Cb 1.15 -0.22 -0.00 0.00 -1.87 0.00 0.00 31.60 30.66 1xl9 h MET 287 CO 0.11 0.69 -0.08 1.96 1.07 0.00 0.00 176.91 180.66 1xl9 h GLN 288 N 1.03 0.00 0.00 1.72 4.20 -1.42 -2.95 115.11 117.68 1xl9 h GLN 288 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1xl9 h GLN 288 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1xl9 h GLN 288 CO -0.05 0.08 0.00 -1.13 -0.67 0.00 0.00 178.83 177.05 1xl9 n SER 289 N -3.17 0.00 -4.69 1.46 3.41 -0.49 -4.78 113.62 105.36 1xl9 n SER 289 Ca 0.01 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 1xl9 n SER 289 Cb 0.40 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1xl9 n SER 289 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xl9 s ILE 290 N -2.66 4.64 0.18 -1.33 1.01 -1.12 -4.99 121.20 116.93 1xl9 s ILE 290 Ca 0.18 1.92 -0.33 0.00 0.00 0.00 0.00 60.65 62.42 1xl9 s ILE 290 Cb 0.14 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 1xl9 s ILE 290 CO 0.33 0.01 1.67 -2.65 0.00 0.00 0.00 174.94 174.30 1xl9 n PRO 291 N 5.01 2.52 0.00 2.79 -0.02 -1.26 -5.09 135.00 138.95 1xl9 n PRO 291 Ca 0.09 0.91 0.07 0.00 -2.02 0.00 0.00 63.50 62.55 1xl9 n PRO 291 Cb 0.48 -2.73 0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1xl9 n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02