#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pxy s ASP 0 N 0.00 6.45 0.26 1.67 1.01 -1.26 -4.97 116.67 119.83 2pxy s ASP 0 Ca 0.00 2.84 -0.29 0.00 0.71 0.00 0.00 52.55 55.80 2pxy s ASP 0 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 2pxy s ASP 0 CO 0.00 -0.88 1.16 -0.63 0.21 0.00 0.00 175.17 175.02 2pxy s ILE 1 N 0.46 3.39 0.07 0.77 1.01 -1.26 -5.04 121.20 120.60 2pxy s ILE 1 Ca 0.66 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.71 2pxy s ILE 1 Cb -0.47 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2pxy s ILE 1 CO 0.41 0.29 -0.13 -1.61 0.00 0.00 0.00 174.94 173.90 2pxy s GLU 2 N -1.17 2.15 0.14 2.79 2.02 -1.26 -5.12 118.70 118.26 2pxy s GLU 2 Ca 0.47 -0.97 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 2pxy s GLU 2 Cb -0.33 -2.29 0.07 0.00 0.10 0.00 0.00 34.13 31.68 2pxy s GLU 2 CO 0.42 0.53 1.01 0.00 0.02 0.00 0.00 175.26 177.23 2pxy s ALA 3 N -1.08 -1.70 0.15 5.21 0.00 -1.26 -5.04 121.76 118.03 2pxy s ALA 3 Ca 0.18 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 2pxy s ALA 3 Cb -0.11 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 2pxy s ALA 3 CO 0.10 -1.05 1.35 -0.44 0.00 0.00 0.00 175.76 175.72 2pxy h ASP 4 N 2.00 0.48 -5.02 0.00 3.45 -2.08 -3.46 116.42 111.79 2pxy h ASP 4 Ca -0.25 -0.37 -0.13 0.00 0.43 0.00 0.00 57.03 56.71 2pxy h ASP 4 Cb 1.23 -0.15 -0.19 0.00 -0.56 0.00 0.00 39.33 39.66 2pxy h ASP 4 CO 0.27 1.15 -0.42 -1.00 -1.57 0.00 0.00 179.24 177.67 2pxy s HIS 5 N -3.36 0.02 -0.08 4.55 3.76 -1.26 -5.08 115.29 113.85 2pxy s HIS 5 Ca -0.05 -0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2pxy s HIS 5 Cb 0.09 -0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.79 2pxy s HIS 5 CO 0.85 -0.36 -0.04 0.08 -0.85 0.00 0.00 174.74 174.43 2pxy s VAL 6 N -1.86 0.62 -0.13 -0.90 1.01 -1.26 -5.00 120.40 112.89 2pxy s VAL 6 Ca -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2pxy s VAL 6 Cb -0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 2pxy s VAL 6 CO -0.00 0.28 -0.19 -0.83 0.00 0.00 0.00 175.10 174.37 2pxy s GLY 7 N 1.58 1.43 -0.52 4.51 0.00 -1.26 0.10 107.32 113.16 2pxy s GLY 7 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 2pxy s GLY 7 CO -0.04 -0.18 0.31 -0.56 0.00 0.00 0.00 173.10 172.63 2pxy s SER 8 N 0.49 5.10 -1.15 1.64 0.01 0.45 -5.00 113.70 115.25 2pxy s SER 8 Ca -0.12 -2.54 -0.12 0.00 1.31 0.00 0.00 55.95 54.47 2pxy s SER 8 Cb -0.17 -1.80 0.21 0.00 0.21 0.00 0.00 66.02 64.47 2pxy s SER 8 CO 0.05 -0.41 1.28 -0.31 0.41 0.00 0.00 173.24 174.25 2pxy s TYR 9 N 0.39 3.79 0.00 2.43 2.02 -1.26 -1.41 117.35 123.31 2pxy s TYR 9 Ca 0.14 -2.31 0.00 0.00 -0.37 0.00 0.00 57.07 54.52 2pxy s TYR 9 Cb -0.22 -4.12 0.00 0.00 -0.40 0.00 0.00 41.96 37.23 2pxy s TYR 9 CO -0.04 -1.22 0.00 0.41 -1.57 0.00 0.00 175.55 173.14 2pxy n GLY 9 N 3.62 0.72 3.71 0.71 0.00 -1.13 -5.04 105.19 107.78 2pxy n GLY 9 Ca 0.31 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2pxy n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pxy s ILE 10 N -0.23 4.33 -0.12 -0.61 1.01 -0.21 -4.90 121.20 120.46 2pxy s ILE 10 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2pxy s ILE 10 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2pxy s ILE 10 CO 0.00 0.10 -0.13 -0.69 0.00 0.00 0.00 174.94 174.22 2pxy s VAL 11 N 1.29 3.07 -0.16 2.92 1.01 -1.26 -2.33 120.40 124.95 2pxy s VAL 11 Ca 0.56 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2pxy s VAL 11 Cb -0.26 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.88 2pxy s VAL 11 CO 0.27 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 175.16 2pxy s VAL 12 N 0.27 1.03 -0.09 2.92 1.01 -0.62 -5.00 120.40 119.92 2pxy s VAL 12 Ca -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2pxy s VAL 12 Cb -0.16 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.04 2pxy s VAL 12 CO 0.05 0.15 -0.10 -0.47 0.00 0.00 0.00 175.10 174.73 2pxy s TYR 13 N 1.67 1.46 0.12 5.22 5.04 -1.26 -0.82 117.35 128.79 2pxy s TYR 13 Ca 0.01 -0.63 0.08 0.00 -2.44 0.00 0.00 57.07 54.09 2pxy s TYR 13 Cb -0.15 -1.14 -0.04 0.00 0.35 0.00 0.00 41.96 40.99 2pxy s TYR 13 CO -0.08 -0.39 -0.19 -0.65 -1.34 0.00 0.00 175.55 172.91 2pxy s GLN 14 N 1.14 1.14 0.02 4.97 -0.21 0.24 -4.95 119.66 122.00 2pxy s GLN 14 Ca -0.06 -1.23 0.01 0.00 0.02 0.00 0.00 55.36 54.11 2pxy s GLN 14 Cb -0.14 -1.28 -0.02 0.00 1.00 0.00 0.00 33.01 32.57 2pxy s GLN 14 CO -0.02 0.28 -0.06 0.45 -2.12 0.00 0.00 175.29 173.83 2pxy s SER 15 N -2.18 0.60 0.85 5.90 0.15 -1.26 -0.53 113.70 117.22 2pxy s SER 15 Ca 0.09 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 2pxy s SER 15 Cb -0.08 0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.36 2pxy s SER 15 CO 0.05 -0.16 1.12 -2.16 1.20 0.00 0.00 173.24 173.29 2pxy s PRO 16 N -1.13 1.63 0.00 5.44 0.04 -1.26 -4.99 135.00 134.73 2pxy s PRO 16 Ca -0.08 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2pxy s PRO 16 Cb -0.08 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2pxy s PRO 16 CO -0.00 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.55 2pxy n GLY 17 N -2.18 0.46 3.89 0.56 0.00 -1.26 -4.61 105.19 102.05 2pxy n GLY 17 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2pxy n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pxy n ASP 18 N 0.00 -4.64 -4.63 1.61 8.00 -1.12 -4.90 116.55 110.87 2pxy n ASP 18 Ca 0.00 -1.08 -0.37 0.00 0.71 0.00 0.00 54.79 54.04 2pxy n ASP 18 Cb 0.00 -1.74 -0.10 0.00 -0.02 0.00 0.00 41.12 39.26 2pxy n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pxy s ILE 19 N -3.19 5.32 0.09 0.53 1.01 0.31 -4.91 121.20 120.36 2pxy s ILE 19 Ca 0.19 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.10 2pxy s ILE 19 Cb -0.10 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2pxy s ILE 19 CO 0.92 0.29 -0.11 -0.83 0.00 0.00 0.00 174.94 175.21 2pxy s GLY 20 N 1.40 0.86 -0.03 6.18 0.00 -1.26 0.79 107.32 115.26 2pxy s GLY 20 Ca 0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 2pxy s GLY 20 CO 0.08 -1.23 0.08 1.62 0.00 0.00 0.00 173.10 173.65 2pxy s GLN 21 N -2.63 0.08 -0.10 2.90 0.74 -0.00 -4.98 119.66 115.67 2pxy s GLN 21 Ca 0.04 0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.59 2pxy s GLN 21 Cb -0.04 -0.01 0.03 0.00 1.10 0.00 0.00 33.01 34.09 2pxy s GLN 21 CO 0.01 -0.04 -0.05 -0.47 -0.55 0.00 0.00 175.29 174.18 2pxy s TYR 22 N 0.27 1.19 0.09 1.67 5.04 -1.26 -1.59 117.35 122.76 2pxy s TYR 22 Ca -0.02 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.08 2pxy s TYR 22 Cb -0.03 -1.06 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 2pxy s TYR 22 CO -0.01 -0.43 0.01 0.95 -1.34 0.00 0.00 175.55 174.72 2pxy s THR 23 N 1.73 0.21 -0.08 4.34 -4.23 -0.98 -1.05 115.64 115.57 2pxy s THR 23 Ca 0.04 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 2pxy s THR 23 Cb -0.13 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.94 2pxy s THR 23 CO -0.07 -0.74 -0.21 -0.36 -0.54 0.00 0.00 174.62 172.70 2pxy s PHE 24 N -3.95 2.26 0.04 3.99 0.40 -0.73 -1.05 117.98 118.93 2pxy s PHE 24 Ca 0.15 -0.85 0.07 0.00 -0.60 0.00 0.00 56.93 55.70 2pxy s PHE 24 Cb 0.08 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2pxy s PHE 24 CO -0.04 -0.34 -0.22 -1.21 0.70 0.00 0.00 175.22 174.11 2pxy s GLU 25 N 0.29 1.47 -0.09 0.44 2.02 -0.50 -0.41 118.70 121.93 2pxy s GLU 25 Ca -0.14 -0.95 -0.02 0.00 0.02 0.00 0.00 54.97 53.88 2pxy s GLU 25 Cb -0.16 -1.58 0.03 0.00 0.10 0.00 0.00 34.13 32.52 2pxy s GLU 25 CO 0.07 0.41 0.00 0.12 0.02 0.00 0.00 175.26 175.88 2pxy s PHE 26 N -0.77 0.76 -1.54 1.61 5.36 -0.41 -0.41 117.98 122.58 2pxy s PHE 26 Ca 0.08 -0.30 -0.13 0.00 -0.96 0.00 0.00 56.93 55.62 2pxy s PHE 26 Cb -0.09 -0.86 0.09 0.00 -0.34 0.00 0.00 43.02 41.82 2pxy s PHE 26 CO 0.02 -0.38 0.92 -0.25 -1.46 0.00 0.00 175.22 174.07 2pxy n ASP 27 N 5.12 -4.19 0.00 6.13 8.00 0.11 -1.86 116.55 129.87 2pxy n ASP 27 Ca -0.08 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.60 2pxy n ASP 27 Cb 0.50 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 2pxy n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pxy n GLY 28 N -1.66 2.39 3.94 0.44 0.00 -1.26 -5.02 105.19 104.03 2pxy n GLY 28 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2pxy n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pxy s ASP 29 N -2.90 6.35 -0.39 1.61 1.01 -0.78 -5.04 116.67 116.52 2pxy s ASP 29 Ca 0.00 0.27 -0.27 0.00 0.71 0.00 0.00 52.55 53.26 2pxy s ASP 29 Cb 0.00 -1.95 0.02 0.00 1.01 0.00 0.00 42.92 42.00 2pxy s ASP 29 CO 0.00 -0.05 1.00 -0.70 0.21 0.00 0.00 175.17 175.63 2pxy s GLU 30 N -3.54 3.82 -0.05 8.23 2.12 -1.26 -1.29 118.70 126.73 2pxy s GLU 30 Ca 0.37 0.62 -0.25 0.00 0.36 0.00 0.00 54.97 56.07 2pxy s GLU 30 Cb -0.10 -3.83 -0.22 0.00 0.26 0.00 0.00 34.13 30.23 2pxy s GLU 30 CO 0.30 -1.07 1.07 -0.07 -0.54 0.00 0.00 175.26 174.95 2pxy h LEU 31 N 10.39 0.14 -7.56 2.70 3.38 -1.08 -3.39 115.31 119.89 2pxy h LEU 31 Ca -0.23 -0.72 0.32 0.00 0.09 0.00 0.00 57.88 57.35 2pxy h LEU 31 Cb 1.07 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 2pxy h LEU 31 CO 1.03 0.84 0.84 0.72 0.09 0.00 0.00 178.44 181.96 2pxy s PHE 32 N -3.35 -0.01 0.04 1.13 -0.12 -1.20 -2.08 117.98 112.39 2pxy s PHE 32 Ca -0.16 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 2pxy s PHE 32 Cb 0.01 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2pxy s PHE 32 CO 0.72 -0.32 -0.06 1.52 -0.05 0.00 0.00 175.22 177.03 2pxy s TYR 33 N -2.26 0.59 -0.26 3.49 -0.85 -0.94 -1.78 117.35 115.35 2pxy s TYR 33 Ca 0.21 -0.57 -0.11 0.00 -0.52 0.00 0.00 57.07 56.08 2pxy s TYR 33 Cb 0.02 -0.37 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 2pxy s TYR 33 CO -0.02 -0.13 0.17 0.08 -1.52 0.00 0.00 175.55 174.13 2pxy s VAL 34 N -1.72 5.26 -0.48 -3.49 1.01 -0.22 -1.06 120.40 119.70 2pxy s VAL 34 Ca -0.09 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 2pxy s VAL 34 Cb -0.08 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2pxy s VAL 34 CO -0.01 0.29 1.45 -0.62 0.00 0.00 0.00 175.10 176.21 2pxy s ASP 35 N 1.48 6.19 0.47 3.32 -1.08 0.46 -4.55 116.67 122.97 2pxy s ASP 35 Ca 0.07 0.61 0.24 0.00 -0.52 0.00 0.00 52.55 52.94 2pxy s ASP 35 Cb -0.15 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 39.95 2pxy s ASP 35 CO 0.08 -1.60 1.97 -0.07 0.52 0.00 0.00 175.17 176.07 2pxy h LEU 36 N 12.80 0.00 0.16 -1.34 3.38 -1.94 0.30 115.31 128.67 2pxy h LEU 36 Ca -0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.38 2pxy h LEU 36 Cb 1.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2pxy h LEU 36 CO 1.13 0.19 -1.50 0.44 0.09 0.00 0.00 178.44 178.79 2pxy h ASP 37 N 0.00 0.52 0.73 -0.43 3.32 -1.96 -3.31 116.42 115.29 2pxy h ASP 37 Ca -0.00 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.39 2pxy h ASP 37 Cb 0.49 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2pxy h ASP 37 CO 0.03 1.54 -0.69 0.29 -1.72 0.00 0.00 179.24 178.69 2pxy n LYS 38 N -3.54 0.25 -3.47 3.56 5.02 -1.17 -4.95 118.16 113.86 2pxy n LYS 38 Ca -0.16 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.01 2pxy n LYS 38 Cb 1.06 -1.64 0.08 0.00 -0.02 0.00 0.00 35.03 34.51 2pxy n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pxy n LYS 39 N -1.99 -6.07 -4.14 1.97 5.02 1.00 -5.00 118.16 108.94 2pxy n LYS 39 Ca 0.03 0.81 -0.15 0.00 -2.02 0.00 0.00 58.31 56.98 2pxy n LYS 39 Cb 0.42 -5.73 -0.14 0.00 -0.02 0.00 0.00 35.03 29.56 2pxy n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2pxy s GLU 40 N -5.43 0.40 -0.25 1.97 2.12 -0.94 -4.78 118.70 111.79 2pxy s GLU 40 Ca 0.03 -0.20 -0.22 0.00 0.36 0.00 0.00 54.97 54.94 2pxy s GLU 40 Cb -0.00 -0.38 -0.01 0.00 0.26 0.00 0.00 34.13 33.99 2pxy s GLU 40 CO 0.75 0.10 0.70 0.99 -0.54 0.00 0.00 175.26 177.26 2pxy s THR 41 N -0.16 4.93 -0.41 -1.70 2.01 -1.26 -0.40 115.64 118.65 2pxy s THR 41 Ca 0.01 1.27 -0.12 0.00 0.31 0.00 0.00 61.69 63.16 2pxy s THR 41 Cb -0.02 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.53 2pxy s THR 41 CO -0.00 -0.02 0.27 -0.63 -0.69 0.00 0.00 174.62 173.55 2pxy s ILE 42 N 2.63 4.80 -0.02 1.82 -1.09 -0.23 -4.97 121.20 124.15 2pxy s ILE 42 Ca 0.29 -0.93 -0.24 0.00 -2.23 0.00 0.00 60.65 57.55 2pxy s ILE 42 Cb -0.15 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 2pxy s ILE 42 CO 0.08 -0.35 0.71 0.26 -1.23 0.00 0.00 174.94 174.41 2pxy s TRP 43 N 1.58 3.65 0.20 3.97 0.52 -1.26 -2.21 118.94 125.39 2pxy s TRP 43 Ca 0.03 1.33 -0.11 0.00 0.02 0.00 0.00 56.10 57.37 2pxy s TRP 43 Cb -0.21 -2.78 0.14 0.00 -1.15 0.00 0.00 33.47 29.47 2pxy s TRP 43 CO 0.07 0.19 1.86 1.98 0.02 0.00 0.00 176.95 181.08 2pxy h MET 44 N 6.20 0.94 -4.54 4.98 1.85 -1.62 -3.35 114.93 119.39 2pxy h MET 44 Ca -0.43 -0.06 -0.69 0.00 -0.61 0.00 0.00 59.70 57.91 2pxy h MET 44 Cb 1.20 -0.21 -0.35 0.00 0.43 0.00 0.00 31.60 32.68 2pxy h MET 44 CO 0.73 0.64 -0.58 -0.51 -0.40 0.00 0.00 176.91 176.78 2pxy s LEU 45 N -10.11 5.03 0.34 3.39 1.43 -1.26 -4.99 118.68 112.51 2pxy s LEU 45 Ca -0.13 -1.92 0.12 0.00 -1.03 0.00 0.00 54.13 51.16 2pxy s LEU 45 Cb 0.14 -1.80 0.93 0.00 0.03 0.00 0.00 46.19 45.50 2pxy s LEU 45 CO 0.78 -0.49 1.75 -0.65 0.23 0.00 0.00 176.35 177.96 2pxy h PRO 46 N 8.02 0.53 -0.51 1.29 0.11 -1.98 0.35 132.00 139.81 2pxy h PRO 46 Ca -0.14 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.03 2pxy h PRO 46 Cb 1.05 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 2pxy h PRO 46 CO 0.66 0.35 0.35 1.05 -0.21 0.00 0.00 178.00 180.20 2pxy h GLU 47 N 0.55 0.34 -0.43 1.05 9.09 -1.95 -2.28 114.58 120.95 2pxy h GLU 47 Ca 0.62 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.99 2pxy h GLU 47 Cb 1.26 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 2pxy h GLU 47 CO -0.40 0.22 0.19 0.74 0.05 0.00 0.00 179.01 179.81 2pxy h PHE 48 N 0.35 0.64 0.00 2.06 -1.00 -1.31 -2.86 116.94 114.81 2pxy h PHE 48 Ca 0.23 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.97 2pxy h PHE 48 Cb 0.47 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.83 2pxy h PHE 48 CO -0.00 0.54 0.17 0.00 -1.61 0.00 0.00 178.31 177.41 2pxy h ALA 49 N 1.03 1.13 0.00 2.45 0.00 -1.46 0.19 119.26 122.60 2pxy h ALA 49 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pxy h ALA 49 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pxy h ALA 49 CO -0.01 -0.13 -0.44 1.04 0.00 0.00 0.00 179.25 179.71 2pxy n GLN 50 N -2.31 0.26 -0.00 0.00 6.02 -1.08 -4.06 117.38 116.22 2pxy n GLN 50 Ca -0.01 0.11 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 2pxy n GLN 50 Cb 0.20 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.73 2pxy n GLN 50 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2pxy n LEU 51 N -2.10 0.13 -3.94 1.08 4.77 0.57 -5.05 117.00 112.46 2pxy n LEU 51 Ca 0.04 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 2pxy n LEU 51 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2pxy n LEU 51 CO 0.34 0.03 0.03 0.00 -1.33 0.00 0.00 177.39 176.47 2pxy s ARG 52 N -1.93 1.23 0.33 3.23 1.70 -0.62 -5.14 118.95 117.75 2pxy s ARG 52 Ca 0.00 -1.16 -0.15 0.00 -0.47 0.00 0.00 55.73 53.95 2pxy s ARG 52 Cb 0.04 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2pxy s ARG 52 CO 0.23 -0.47 0.69 -1.54 -1.08 0.00 0.00 175.30 173.13 2pxy s SER 53 N -2.97 0.03 -0.21 -2.89 1.04 -1.26 -4.19 113.70 103.25 2pxy s SER 53 Ca 0.17 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.50 2pxy s SER 53 Cb 0.02 0.76 0.08 0.00 0.10 0.00 0.00 66.02 66.99 2pxy s SER 53 CO 0.01 -1.48 0.49 0.12 0.98 0.00 0.00 173.24 173.36 2pxy s PHE 54 N -3.08 -0.85 -0.08 5.02 5.36 -1.26 -5.12 117.98 117.97 2pxy s PHE 54 Ca 0.17 1.65 -0.30 0.00 -0.96 0.00 0.00 56.93 57.49 2pxy s PHE 54 Cb -0.04 0.41 -0.04 0.00 -0.34 0.00 0.00 43.02 43.01 2pxy s PHE 54 CO 0.11 -0.47 1.53 0.34 -1.46 0.00 0.00 175.22 175.27 2pxy s ASP 55 N 2.08 6.76 0.63 6.13 -1.08 -1.26 -4.72 116.67 125.21 2pxy s ASP 55 Ca -0.06 2.07 0.32 0.00 -0.52 0.00 0.00 52.55 54.36 2pxy s ASP 55 Cb -0.10 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.61 2pxy s ASP 55 CO -0.15 -0.87 2.08 1.55 0.52 0.00 0.00 175.17 178.30 2pxy h PRO 56 N 9.04 0.00 -0.33 4.34 0.13 -1.93 -1.37 132.00 141.89 2pxy h PRO 56 Ca -0.35 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.84 2pxy h PRO 56 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2pxy h PRO 56 CO 0.96 0.00 0.23 1.96 -0.23 0.00 0.00 178.00 180.91 2pxy h GLN 57 N 0.00 0.15 0.00 0.86 1.08 -1.91 0.40 115.11 115.70 2pxy h GLN 57 Ca 0.05 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 2pxy h GLN 57 Cb 0.52 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2pxy h GLN 57 CO -0.00 0.10 -0.32 0.78 -0.95 0.00 0.00 178.83 178.44 2pxy h GLY 58 N 0.15 0.00 0.75 3.46 0.00 -1.64 -0.03 103.07 105.77 2pxy h GLY 58 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 2pxy h GLY 58 CO -0.02 0.00 -0.31 -1.33 0.00 0.00 0.00 176.54 174.88 2pxy h GLY 59 N 1.08 0.43 0.99 4.60 0.00 -0.38 -2.58 103.07 107.21 2pxy h GLY 59 Ca -0.00 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.78 2pxy h GLY 59 CO 0.04 0.50 0.48 1.41 0.00 0.00 0.00 176.54 178.96 2pxy h LEU 60 N -0.04 0.82 0.41 3.11 3.38 -0.79 -0.06 115.31 122.14 2pxy h LEU 60 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2pxy h LEU 60 Cb 0.92 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2pxy h LEU 60 CO 0.07 0.59 -0.20 -0.61 0.09 0.00 0.00 178.44 178.37 2pxy h GLN 61 N 0.97 -0.54 0.00 1.13 5.75 -1.03 -1.02 115.11 120.37 2pxy h GLN 61 Ca 0.27 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.76 2pxy h GLN 61 Cb -0.09 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 2pxy h GLN 61 CO -0.07 -0.30 -0.23 -0.91 -2.65 0.00 0.00 178.83 174.67 2pxy h ASN 62 N -0.66 0.00 -0.07 -0.69 2.35 -1.36 -1.83 115.58 113.32 2pxy h ASN 62 Ca -0.06 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 2pxy h ASN 62 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 2pxy h ASN 62 CO 0.09 0.23 -0.55 0.40 -1.65 0.00 0.00 177.43 175.95 2pxy h ILE 63 N 0.00 1.31 -0.59 2.81 1.08 -0.87 -1.62 117.51 119.62 2pxy h ILE 63 Ca -0.00 -1.78 -0.05 0.00 -0.39 0.00 0.00 64.86 62.64 2pxy h ILE 63 Cb 0.48 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 2pxy h ILE 63 CO 0.03 0.56 0.18 0.00 -0.69 0.00 0.00 178.15 178.24 2pxy h ALA 64 N 0.88 1.21 0.00 1.87 0.00 -0.39 -0.30 119.26 122.52 2pxy h ALA 64 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2pxy h ALA 64 Cb 1.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2pxy h ALA 64 CO 0.11 0.55 -0.29 1.15 0.00 0.00 0.00 179.25 180.77 2pxy h THR 65 N 0.86 0.72 -0.14 0.00 2.02 -1.16 -1.37 112.91 113.85 2pxy h THR 65 Ca 0.20 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.04 2pxy h THR 65 Cb 0.25 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2pxy h THR 65 CO -0.01 0.29 -0.06 1.23 0.37 0.00 0.00 175.52 177.34 2pxy h GLY 66 N 2.02 0.32 0.93 2.16 0.00 -0.10 0.13 103.07 108.53 2pxy h GLY 66 Ca -0.00 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.10 2pxy h GLY 66 CO 0.04 0.25 0.59 1.70 0.00 0.00 0.00 176.54 179.12 2pxy h LYS 67 N -0.04 1.05 0.33 4.80 3.64 -0.86 0.31 116.57 125.80 2pxy h LYS 67 Ca 0.03 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2pxy h LYS 67 Cb 0.52 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2pxy h LYS 67 CO 0.02 0.70 -0.16 1.25 -2.27 0.00 0.00 179.45 178.99 2pxy h HIS 68 N 1.08 -0.41 -0.17 1.91 2.76 -1.00 -3.17 115.15 116.16 2pxy h HIS 68 Ca 0.37 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 2pxy h HIS 68 Cb 0.10 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2pxy h HIS 68 CO -0.00 -0.08 0.01 -0.91 -1.30 0.00 0.00 177.93 175.64 2pxy h ASN 69 N -0.76 0.22 -2.19 3.26 2.35 -0.35 -3.09 115.58 115.02 2pxy h ASN 69 Ca -0.04 -0.02 -0.63 0.00 -0.55 0.00 0.00 56.30 55.05 2pxy h ASN 69 Cb 0.51 -0.06 -0.14 0.00 0.05 0.00 0.00 38.32 38.68 2pxy h ASN 69 CO 0.07 0.26 0.92 -0.22 -1.65 0.00 0.00 177.43 176.81 2pxy s LEU 70 N -9.03 4.24 0.00 1.61 2.96 0.11 -1.40 118.68 117.17 2pxy s LEU 70 Ca -0.06 -1.36 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 2pxy s LEU 70 Cb 0.16 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2pxy s LEU 70 CO 0.71 -1.39 0.00 0.61 -1.32 0.00 0.00 176.35 174.96 2pxy n GLY 71 N 5.73 1.79 0.08 7.98 0.00 -1.24 -4.77 105.19 114.76 2pxy n GLY 71 Ca 0.14 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2pxy n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pxy h VAL 72 N 0.00 1.32 -0.30 1.61 2.07 -1.43 -1.70 116.25 117.81 2pxy h VAL 72 Ca 0.00 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.40 2pxy h VAL 72 Cb 0.00 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2pxy h VAL 72 CO 0.00 0.27 -0.32 -0.07 0.02 0.00 0.00 177.57 177.46 2pxy h LEU 73 N -0.27 0.80 0.17 2.57 -0.00 -1.52 -0.03 115.31 117.03 2pxy h LEU 73 Ca 0.01 -0.48 0.01 0.00 -0.00 0.00 0.00 57.88 57.42 2pxy h LEU 73 Cb 0.44 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 2pxy h LEU 73 CO 0.01 1.12 -0.26 0.74 -0.00 0.00 0.00 178.44 180.05 2pxy h THR 74 N 0.50 0.44 -0.28 0.22 2.02 -1.77 0.98 112.91 115.02 2pxy h THR 74 Ca 0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.26 2pxy h THR 74 Cb 0.90 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2pxy h THR 74 CO 0.08 0.00 0.07 0.50 0.37 0.00 0.00 175.52 176.54 2pxy h LYS 75 N -0.50 0.17 -0.03 6.66 3.64 -1.30 -1.41 116.57 123.80 2pxy h LYS 75 Ca 0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2pxy h LYS 75 Cb 0.50 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2pxy h LYS 75 CO -0.11 0.11 0.03 -0.09 -2.27 0.00 0.00 179.45 177.12 2pxy h ARG 76 N 0.18 0.00 -0.24 1.90 2.43 -0.48 -0.26 114.38 117.91 2pxy h ARG 76 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2pxy h ARG 76 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2pxy h ARG 76 CO -0.16 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.17 2pxy n SER 77 N -3.83 2.21 -3.49 -3.80 3.41 0.29 -4.91 113.62 103.50 2pxy n SER 77 Ca -0.02 -1.81 -0.20 0.00 -0.26 0.00 0.00 58.87 56.58 2pxy n SER 77 Cb 0.12 -0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 2pxy n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2pxy n ASN 78 N 0.68 -4.11 -3.86 4.04 5.15 -0.11 -2.93 115.26 114.12 2pxy n ASN 78 Ca 0.17 -0.58 -0.29 0.00 -0.60 0.00 0.00 54.58 53.28 2pxy n ASN 78 Cb 0.41 -5.06 0.03 0.00 -0.53 0.00 0.00 39.78 34.64 2pxy n ASN 78 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2pxy n SER 79 N -3.06 -4.65 -4.64 1.20 7.64 -0.63 -4.93 113.62 104.57 2pxy n SER 79 Ca -0.15 -0.76 -0.43 0.00 1.01 0.00 0.00 58.87 58.55 2pxy n SER 79 Cb 0.62 -4.04 -0.02 0.00 -1.01 0.00 0.00 64.21 59.75 2pxy n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2pxy s THR 80 N -3.34 3.84 0.78 0.44 2.01 -1.15 -4.98 115.64 113.24 2pxy s THR 80 Ca 0.59 0.96 -0.12 0.00 0.31 0.00 0.00 61.69 63.43 2pxy s THR 80 Cb -0.29 -3.81 0.06 0.00 0.01 0.00 0.00 72.50 68.47 2pxy s THR 80 CO 0.82 -0.30 1.15 -2.16 -0.69 0.00 0.00 174.62 173.44 2pxy s PRO 81 N 4.39 2.21 0.30 4.92 0.04 -1.26 -5.04 135.00 140.56 2pxy s PRO 81 Ca 0.67 0.26 -0.28 0.00 0.04 0.00 0.00 61.00 61.69 2pxy s PRO 81 Cb -0.24 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 2pxy s PRO 81 CO 0.26 -1.45 0.99 0.00 0.04 0.00 0.00 177.00 176.84 2pxy s ALA 82 N -3.47 3.27 -0.34 8.56 0.00 -1.26 -5.02 121.76 123.49 2pxy s ALA 82 Ca 0.61 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 53.03 2pxy s ALA 82 Cb -0.11 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2pxy s ALA 82 CO 0.50 0.07 0.55 0.99 0.00 0.00 0.00 175.76 177.88 2pxy s THR 83 N -1.39 4.98 0.71 0.00 2.01 -1.26 -5.00 115.64 115.69 2pxy s THR 83 Ca 0.47 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 2pxy s THR 83 Cb -0.24 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.31 2pxy s THR 83 CO 0.30 -0.22 1.24 0.59 -0.69 0.00 0.00 174.62 175.85 2pxy n ASN 84 N 5.81 1.62 -4.34 3.53 3.02 -1.26 -4.70 115.26 118.94 2pxy n ASN 84 Ca -0.04 0.74 -0.20 0.00 -0.03 0.00 0.00 54.58 55.05 2pxy n ASN 84 Cb 0.49 -1.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.02 2pxy n ASN 84 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2pxy s GLU 85 N -3.62 1.30 -0.23 3.52 0.41 -0.49 -4.97 118.70 114.62 2pxy s GLU 85 Ca 0.79 -1.51 -0.13 0.00 -0.41 0.00 0.00 54.97 53.71 2pxy s GLU 85 Cb -0.35 -1.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.76 2pxy s GLU 85 CO 0.44 0.22 0.29 0.00 -0.49 0.00 0.00 175.26 175.72 2pxy s ALA 86 N -2.59 3.58 0.67 5.21 0.00 -1.26 -4.01 121.76 123.36 2pxy s ALA 86 Ca 0.20 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 2pxy s ALA 86 Cb -0.03 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 2pxy s ALA 86 CO 0.07 -0.34 1.07 -1.25 0.00 0.00 0.00 175.76 175.30 2pxy s PRO 87 N 1.38 3.13 -0.07 0.00 0.04 -1.25 -4.86 135.00 133.37 2pxy s PRO 87 Ca 0.13 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.82 2pxy s PRO 87 Cb -0.15 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2pxy s PRO 87 CO 0.07 -0.88 -0.16 -0.65 0.04 0.00 0.00 177.00 175.42 2pxy s GLN 88 N -5.25 2.12 0.07 4.56 -1.52 -0.68 -4.97 119.66 113.98 2pxy s GLN 88 Ca 0.57 -0.57 0.03 0.00 -1.95 0.00 0.00 55.36 53.45 2pxy s GLN 88 Cb -0.11 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 30.95 2pxy s GLN 88 CO 0.53 0.08 0.04 0.00 -0.25 0.00 0.00 175.29 175.70 2pxy s ALA 89 N 0.53 3.44 -0.03 6.09 0.00 -1.26 -1.21 121.76 129.32 2pxy s ALA 89 Ca -0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2pxy s ALA 89 Cb -0.16 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.63 2pxy s ALA 89 CO 0.05 0.72 0.06 0.99 0.00 0.00 0.00 175.76 177.58 2pxy s THR 90 N -1.31 -0.08 -0.12 0.00 2.01 -0.08 -4.98 115.64 111.08 2pxy s THR 90 Ca 0.26 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 2pxy s THR 90 Cb -0.12 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 2pxy s THR 90 CO 0.19 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 2pxy s VAL 91 N 1.46 3.33 0.09 3.82 1.01 -1.26 -0.60 120.40 128.25 2pxy s VAL 91 Ca -0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2pxy s VAL 91 Cb -0.13 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.90 2pxy s VAL 91 CO -0.03 0.53 0.47 0.72 0.00 0.00 0.00 175.10 176.78 2pxy s PHE 92 N 0.13 -0.33 0.27 5.22 -0.71 -0.26 -4.98 117.98 117.32 2pxy s PHE 92 Ca -0.05 0.19 -0.18 0.00 -1.04 0.00 0.00 56.93 55.85 2pxy s PHE 92 Cb -0.14 0.32 -0.09 0.00 -1.21 0.00 0.00 43.02 41.90 2pxy s PHE 92 CO 0.04 -0.68 0.75 -1.25 -1.34 0.00 0.00 175.22 172.74 2pxy s PRO 93 N -3.12 4.17 0.14 1.99 0.04 -1.26 -0.11 135.00 136.84 2pxy s PRO 93 Ca -0.01 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 2pxy s PRO 93 Cb 0.00 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2pxy s PRO 93 CO -0.07 0.28 1.60 -0.22 0.04 0.00 0.00 177.00 178.63 2pxy h LYS 94 N 2.90 0.78 -5.02 4.56 3.64 -1.57 -3.46 116.57 118.39 2pxy h LYS 94 Ca -0.48 -0.23 -0.40 0.00 -1.27 0.00 0.00 60.65 58.27 2pxy h LYS 94 Cb 1.19 -0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.79 2pxy h LYS 94 CO 0.65 0.82 -0.61 -1.54 -2.27 0.00 0.00 179.45 176.50 2pxy s SER 95 N -6.24 1.67 0.23 4.20 1.04 -1.26 -5.07 113.70 108.27 2pxy s SER 95 Ca -0.13 -1.37 -0.31 0.00 0.48 0.00 0.00 55.95 54.62 2pxy s SER 95 Cb 0.11 0.06 -0.13 0.00 0.10 0.00 0.00 66.02 66.16 2pxy s SER 95 CO 0.80 -0.67 1.42 -2.65 0.98 0.00 0.00 173.24 173.12 2pxy n PRO 96 N -0.54 2.04 -2.52 4.02 -0.02 -1.26 -4.90 135.00 131.81 2pxy n PRO 96 Ca -0.01 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2pxy n PRO 96 Cb 0.66 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2pxy n PRO 96 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2pxy s VAL 97 N -0.00 4.39 -0.07 -1.45 -7.23 -1.26 -5.03 120.40 109.76 2pxy s VAL 97 Ca 0.69 1.70 0.02 0.00 -1.81 0.00 0.00 61.98 62.58 2pxy s VAL 97 Cb -0.65 -4.09 0.02 0.00 0.56 0.00 0.00 36.38 32.21 2pxy s VAL 97 CO 0.49 0.03 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.46 2pxy s LEU 98 N 1.87 1.50 -0.20 1.32 1.43 -1.26 -5.09 118.68 118.24 2pxy s LEU 98 Ca 0.54 -0.25 -0.41 0.00 -1.03 0.00 0.00 54.13 52.98 2pxy s LEU 98 Cb -0.24 -0.72 -0.18 0.00 0.03 0.00 0.00 46.19 45.08 2pxy s LEU 98 CO 0.23 -0.01 1.49 -0.11 0.23 0.00 0.00 176.35 178.18 2pxy n LEU 99 N 4.02 1.46 0.00 1.79 7.94 -1.26 -0.36 117.00 130.59 2pxy n LEU 99 Ca -0.22 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 2pxy n LEU 99 Cb 0.51 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.42 2pxy n LEU 99 CO 0.24 -0.95 0.00 0.61 -1.11 0.00 0.00 177.39 176.17 2pxy n GLY 100 N 3.26 0.37 3.58 -3.96 0.00 -0.58 -4.97 105.19 102.89 2pxy n GLY 100 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2pxy n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pxy s GLN 101 N -0.75 3.86 0.18 1.61 2.00 0.52 -4.88 119.66 122.20 2pxy s GLN 101 Ca 0.00 -0.15 -0.32 0.00 -2.00 0.00 0.00 55.36 52.89 2pxy s GLN 101 Cb 0.00 -3.71 -0.16 0.00 0.80 0.00 0.00 33.01 29.94 2pxy s GLN 101 CO 0.00 -0.35 0.98 -2.30 -0.50 0.00 0.00 175.29 173.12 2pxy n PRO 102 N 5.33 0.83 -2.55 1.67 -0.02 -1.26 -4.17 135.00 134.83 2pxy n PRO 102 Ca -0.09 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 2pxy n PRO 102 Cb 0.50 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2pxy n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2pxy n ASN 103 N 1.79 -0.59 -3.76 2.55 2.85 -0.35 -5.01 115.26 112.74 2pxy n ASN 103 Ca 0.15 -1.78 -0.15 0.00 -0.11 0.00 0.00 54.58 52.69 2pxy n ASN 103 Cb 0.24 1.09 -0.16 0.00 1.24 0.00 0.00 39.78 42.20 2pxy n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2pxy s THR 104 N -2.59 -0.06 -0.15 -0.44 2.01 -1.26 -1.95 115.64 111.20 2pxy s THR 104 Ca 0.12 0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 2pxy s THR 104 Cb -0.00 -0.13 -0.05 0.00 0.01 0.00 0.00 72.50 72.33 2pxy s THR 104 CO 0.08 0.09 0.34 -0.76 -0.69 0.00 0.00 174.62 173.68 2pxy s LEU 105 N 1.15 4.25 -0.12 4.42 1.43 0.11 -1.29 118.68 128.63 2pxy s LEU 105 Ca -0.09 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2pxy s LEU 105 Cb -0.13 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2pxy s LEU 105 CO -0.04 0.08 -0.10 -0.63 0.23 0.00 0.00 176.35 175.89 2pxy s ILE 106 N 0.48 3.37 -0.29 -0.59 1.01 0.84 -0.78 121.20 125.24 2pxy s ILE 106 Ca 0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2pxy s ILE 106 Cb -0.13 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 39.96 2pxy s ILE 106 CO 0.05 0.53 -0.03 0.00 0.00 0.00 0.00 174.94 175.49 2pxy s PHE 108 N 1.24 3.31 -0.18 0.00 5.36 0.23 -1.31 117.98 126.63 2pxy s PHE 108 Ca -0.05 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2pxy s PHE 108 Cb -0.19 -2.49 0.02 0.00 -0.34 0.00 0.00 43.02 40.01 2pxy s PHE 108 CO -0.02 -0.07 -0.18 0.08 -1.46 0.00 0.00 175.22 173.56 2pxy s VAL 109 N 1.54 2.24 0.46 3.12 1.01 -0.07 -0.90 120.40 127.80 2pxy s VAL 109 Ca 0.15 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2pxy s VAL 109 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2pxy s VAL 109 CO 0.08 0.52 0.19 -0.62 0.00 0.00 0.00 175.10 175.27 2pxy s ASP 110 N 1.30 4.38 -1.39 3.32 -1.08 -0.35 -0.96 116.67 121.88 2pxy s ASP 110 Ca 0.05 -1.25 -0.08 0.00 -0.52 0.00 0.00 52.55 50.74 2pxy s ASP 110 Cb -0.13 -0.07 0.03 0.00 -1.46 0.00 0.00 42.92 41.29 2pxy s ASP 110 CO -0.11 -0.73 1.03 -3.20 0.52 0.00 0.00 175.17 172.68 2pxy n ASN 111 N -1.35 -4.58 -4.65 -0.34 5.15 -1.07 -1.68 115.26 106.75 2pxy n ASN 111 Ca -0.05 -0.67 -0.40 0.00 -0.60 0.00 0.00 54.58 52.85 2pxy n ASN 111 Cb 0.65 -4.51 -0.06 0.00 -0.53 0.00 0.00 39.78 35.33 2pxy n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pxy s ILE 112 N -3.37 5.00 -0.29 -1.44 1.01 0.89 -3.81 121.20 119.19 2pxy s ILE 112 Ca 0.46 1.17 -0.15 0.00 0.00 0.00 0.00 60.65 62.12 2pxy s ILE 112 Cb -0.22 -3.94 0.15 0.00 0.01 0.00 0.00 42.46 38.46 2pxy s ILE 112 CO 0.78 0.08 0.95 0.12 0.00 0.00 0.00 174.94 176.86 2pxy s PHE 113 N 2.16 -0.67 0.89 3.97 5.36 -1.26 -0.25 117.98 128.17 2pxy s PHE 113 Ca 0.28 1.27 -0.12 0.00 -0.96 0.00 0.00 56.93 57.39 2pxy s PHE 113 Cb -0.16 0.40 0.12 0.00 -0.34 0.00 0.00 43.02 43.05 2pxy s PHE 113 CO 0.09 -0.33 1.10 -1.25 -1.46 0.00 0.00 175.22 173.37 2pxy s PRO 114 N 1.82 1.32 -0.75 10.12 0.04 -1.26 -1.40 135.00 144.88 2pxy s PRO 114 Ca -0.07 0.61 -0.18 0.00 0.04 0.00 0.00 61.00 61.40 2pxy s PRO 114 Cb -0.05 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 2pxy s PRO 114 CO -0.16 -2.14 1.93 -0.35 0.04 0.00 0.00 177.00 176.31 2pxy n PRO 115 N -3.78 1.53 -3.69 0.56 -0.04 -1.26 -4.74 135.00 123.57 2pxy n PRO 115 Ca 0.07 -1.69 -0.14 0.00 -0.04 0.00 0.00 63.50 61.70 2pxy n PRO 115 Cb 0.57 -2.77 -0.14 0.00 -0.04 0.00 0.00 33.50 31.12 2pxy n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pxy s VAL 116 N 4.72 -0.24 0.08 0.52 1.01 -1.26 -5.09 120.40 120.14 2pxy s VAL 116 Ca 0.52 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.50 2pxy s VAL 116 Cb 0.13 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 36.23 2pxy s VAL 116 CO 0.09 0.11 0.83 -0.51 0.00 0.00 0.00 175.10 175.61 2pxy s ILE 117 N 1.94 0.00 -0.15 2.22 2.07 -1.26 -4.72 121.20 121.29 2pxy s ILE 117 Ca -0.02 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 2pxy s ILE 117 Cb -0.12 -1.26 0.03 0.00 0.13 0.00 0.00 42.46 41.24 2pxy s ILE 117 CO -0.07 0.00 -0.13 0.20 -1.91 0.00 0.00 174.94 173.03 2pxy s ASN 118 N -2.66 2.75 -0.20 4.50 0.01 -0.65 -5.00 114.94 113.68 2pxy s ASN 118 Ca 0.06 -0.53 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 2pxy s ASN 118 Cb -0.01 -1.15 0.04 0.00 0.41 0.00 0.00 41.25 40.53 2pxy s ASN 118 CO -0.07 -0.08 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.67 2pxy s ILE 119 N 1.49 1.95 0.29 0.60 1.01 -1.26 -0.89 121.20 124.39 2pxy s ILE 119 Ca 0.04 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.59 2pxy s ILE 119 Cb -0.13 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 2pxy s ILE 119 CO -0.10 0.29 0.08 0.42 0.00 0.00 0.00 174.94 175.63 2pxy s THR 120 N 1.28 0.81 0.24 2.92 -4.23 -0.58 -4.99 115.64 111.10 2pxy s THR 120 Ca -0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2pxy s THR 120 Cb -0.16 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 2pxy s THR 120 CO -0.09 0.00 -0.11 0.26 -0.54 0.00 0.00 174.62 174.13 2pxy s TRP 121 N -3.56 2.51 -0.04 3.99 0.52 -1.26 -0.19 118.94 120.91 2pxy s TRP 121 Ca 0.37 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.24 2pxy s TRP 121 Cb 0.08 -1.15 0.02 0.00 -1.15 0.00 0.00 33.47 31.27 2pxy s TRP 121 CO 0.14 0.61 -0.07 -0.51 0.02 0.00 0.00 176.95 177.15 2pxy s LEU 122 N -3.31 1.50 -0.17 2.99 1.43 0.13 -1.59 118.68 119.65 2pxy s LEU 122 Ca 0.28 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2pxy s LEU 122 Cb -0.07 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.66 2pxy s LEU 122 CO 0.16 -0.01 -0.19 -0.60 0.23 0.00 0.00 176.35 175.93 2pxy s ARG 123 N 0.69 2.91 -1.47 1.70 3.52 0.19 -1.01 118.95 125.49 2pxy s ARG 123 Ca -0.10 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.59 2pxy s ARG 123 Cb -0.13 -2.51 0.05 0.00 -1.56 0.00 0.00 34.95 30.80 2pxy s ARG 123 CO 0.01 -0.20 0.88 0.09 -0.81 0.00 0.00 175.30 175.27 2pxy n ASN 124 N 4.60 -5.28 0.00 -2.12 3.02 0.06 -0.63 115.26 114.91 2pxy n ASN 124 Ca -0.20 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2pxy n ASN 124 Cb 0.50 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 2pxy n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2pxy n SER 125 N -2.73 -2.96 -4.56 6.41 7.64 -1.26 -4.99 113.62 111.16 2pxy n SER 125 Ca -0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2pxy n SER 125 Cb 0.55 -1.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.02 2pxy n SER 125 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2pxy s LYS 126 N -0.76 3.18 0.44 1.43 1.02 0.20 -5.02 119.74 120.23 2pxy s LYS 126 Ca 0.00 -0.52 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 2pxy s LYS 126 Cb 0.00 -2.75 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 2pxy s LYS 126 CO 0.00 0.48 1.36 -1.54 -0.92 0.00 0.00 175.35 174.73 2pxy s SER 127 N -0.31 6.03 -0.11 2.83 1.04 -1.26 0.53 113.70 122.45 2pxy s SER 127 Ca 0.05 2.77 -0.05 0.00 0.48 0.00 0.00 55.95 59.20 2pxy s SER 127 Cb -0.12 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 2pxy s SER 127 CO 0.02 -1.06 0.10 -0.69 0.98 0.00 0.00 173.24 172.59 2pxy s VAL 128 N -1.25 5.14 -0.04 5.02 1.01 -0.62 -4.81 120.40 124.85 2pxy s VAL 128 Ca 0.60 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2pxy s VAL 128 Cb -0.40 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2pxy s VAL 128 CO 0.52 0.61 0.39 0.00 0.00 0.00 0.00 175.10 176.62 2pxy n ALA 129 N 2.06 2.39 -2.49 5.51 0.00 -1.26 -4.60 120.51 122.12 2pxy n ALA 129 Ca -0.19 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 2pxy n ALA 129 Cb 0.55 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 2pxy n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pxy s ASP 130 N -0.28 2.62 -1.36 0.00 1.01 -1.26 -4.74 116.67 112.66 2pxy s ASP 130 Ca 0.00 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.47 2pxy s ASP 130 Cb 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.78 2pxy s ASP 130 CO 0.01 -0.00 0.00 0.61 0.21 0.00 0.00 175.17 176.00 2pxy n GLY 131 N 0.59 0.36 3.42 0.21 0.00 -1.26 -4.78 105.19 103.74 2pxy n GLY 131 Ca -0.16 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2pxy n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pxy s VAL 132 N -2.67 3.38 0.03 1.61 1.01 -1.26 -2.19 120.40 120.31 2pxy s VAL 132 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 2pxy s VAL 132 Cb 0.00 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 2pxy s VAL 132 CO 0.00 0.52 0.15 -0.31 0.00 0.00 0.00 175.10 175.46 2pxy s TYR 133 N 0.31 0.09 0.04 5.22 2.02 -0.72 -4.98 117.35 119.33 2pxy s TYR 133 Ca -0.08 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2pxy s TYR 133 Cb -0.15 -0.07 -0.03 0.00 -0.40 0.00 0.00 41.96 41.32 2pxy s TYR 133 CO 0.05 -0.37 0.01 -1.83 -1.57 0.00 0.00 175.55 171.83 2pxy s GLU 134 N -2.23 0.55 0.69 -0.62 -1.05 -1.26 0.11 118.70 114.89 2pxy s GLU 134 Ca -0.08 -0.96 -0.12 0.00 -0.15 0.00 0.00 54.97 53.66 2pxy s GLU 134 Cb -0.03 0.20 0.16 0.00 -0.44 0.00 0.00 34.13 34.02 2pxy s GLU 134 CO -0.02 -0.11 0.91 0.25 0.95 0.00 0.00 175.26 177.23 2pxy n THR 135 N 0.59 0.00 -2.53 1.83 -2.24 -0.17 -5.01 114.28 106.75 2pxy n THR 135 Ca -0.17 -0.65 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 2pxy n THR 135 Cb 0.59 -1.62 0.13 0.00 -2.10 0.00 0.00 70.33 67.33 2pxy n THR 135 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pxy s SER 136 N -4.30 4.07 -0.12 3.42 0.01 -1.26 -4.74 113.70 110.79 2pxy s SER 136 Ca 0.52 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.10 2pxy s SER 136 Cb -0.02 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 2pxy s SER 136 CO 0.37 -2.06 1.10 -0.36 0.41 0.00 0.00 173.24 172.70 2pxy s PHE 137 N -3.26 3.31 0.19 2.43 0.08 -1.26 -4.63 117.98 114.83 2pxy s PHE 137 Ca 0.69 1.39 -0.09 0.00 0.12 0.00 0.00 56.93 59.03 2pxy s PHE 137 Cb -0.04 -3.31 -0.07 0.00 -0.57 0.00 0.00 43.02 39.03 2pxy s PHE 137 CO 0.46 -0.78 0.50 -0.06 -0.10 0.00 0.00 175.22 175.24 2pxy s PHE 138 N 2.44 3.46 0.32 0.36 0.08 0.66 -4.91 117.98 120.39 2pxy s PHE 138 Ca 0.51 0.82 -0.19 0.00 0.12 0.00 0.00 56.93 58.19 2pxy s PHE 138 Cb -0.20 -2.21 -0.09 0.00 -0.57 0.00 0.00 43.02 39.94 2pxy s PHE 138 CO 0.17 0.34 0.82 0.14 -0.10 0.00 0.00 175.22 176.58 2pxy s VAL 139 N -1.72 4.51 0.21 -0.44 -7.23 -1.26 -1.84 120.40 112.62 2pxy s VAL 139 Ca 0.44 1.31 0.11 0.00 -1.81 0.00 0.00 61.98 62.03 2pxy s VAL 139 Cb -0.12 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 2pxy s VAL 139 CO 0.21 -0.05 -0.18 0.20 -0.31 0.00 0.00 175.10 174.97 2pxy s ASN 140 N -1.97 3.76 0.50 4.85 0.01 -0.84 -4.85 114.94 116.39 2pxy s ASN 140 Ca 0.52 -0.80 0.23 0.00 -0.71 0.00 0.00 52.86 52.11 2pxy s ASN 140 Cb -0.13 -0.43 1.30 0.00 0.41 0.00 0.00 41.25 42.40 2pxy s ASN 140 CO 0.18 0.10 1.94 0.03 -1.51 0.00 0.00 177.10 177.84 2pxy h ARG 141 N 2.88 0.14 -0.57 -0.60 2.47 -1.99 0.11 114.38 116.83 2pxy h ARG 141 Ca -0.45 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2pxy h ARG 141 Cb 1.22 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2pxy h ARG 141 CO 0.52 0.09 0.00 -0.40 0.56 0.00 0.00 179.97 180.75 2pxy n ASP 142 N -4.39 2.99 -0.91 7.04 5.75 -1.26 -4.91 116.55 120.86 2pxy n ASP 142 Ca 0.13 -2.22 -0.12 0.00 -0.01 0.00 0.00 54.79 52.58 2pxy n ASP 142 Cb 0.67 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 40.28 2pxy n ASP 142 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2pxy n TYR 143 N 0.65 0.00 -2.79 2.11 4.01 0.37 -5.00 117.16 116.51 2pxy n TYR 143 Ca 0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.73 2pxy n TYR 143 Cb 0.56 -2.38 0.07 0.00 -0.31 0.00 0.00 39.34 37.28 2pxy n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2pxy n SER 144 N -0.46 1.38 -4.36 7.72 3.41 -1.26 -4.87 113.62 115.19 2pxy n SER 144 Ca -0.12 -2.07 -0.18 0.00 -0.26 0.00 0.00 58.87 56.24 2pxy n SER 144 Cb 0.46 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 2pxy n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2pxy s PHE 145 N -2.13 1.66 0.07 7.33 0.40 0.65 -1.99 117.98 123.97 2pxy s PHE 145 Ca 0.51 -1.04 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2pxy s PHE 145 Cb -0.03 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.45 2pxy s PHE 145 CO 0.33 -0.15 -0.07 -3.38 0.70 0.00 0.00 175.22 172.65 2pxy s HIS 146 N -3.53 0.79 0.01 0.36 -3.43 -0.77 -0.08 115.29 108.65 2pxy s HIS 146 Ca 0.35 -0.74 -0.16 0.00 -0.80 0.00 0.00 55.06 53.70 2pxy s HIS 146 Cb 0.07 -0.46 0.03 0.00 -1.43 0.00 0.00 32.58 30.79 2pxy s HIS 146 CO 0.13 -0.13 0.36 0.21 -2.00 0.00 0.00 174.74 173.30 2pxy s LYS 147 N -2.88 0.79 -0.02 -0.38 2.20 -0.13 -0.25 119.74 119.08 2pxy s LYS 147 Ca 0.02 -0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 2pxy s LYS 147 Cb -0.01 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 2pxy s LYS 147 CO -0.03 -0.24 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.04 2pxy s LEU 148 N -1.68 2.00 -0.00 5.43 1.02 -1.26 -0.89 118.68 123.29 2pxy s LEU 148 Ca -0.09 -0.31 0.06 0.00 0.02 0.00 0.00 54.13 53.81 2pxy s LEU 148 Cb -0.03 -0.87 -0.03 0.00 0.02 0.00 0.00 46.19 45.29 2pxy s LEU 148 CO 0.01 0.19 -0.17 -0.55 0.02 0.00 0.00 176.35 175.85 2pxy s SER 149 N -0.28 3.82 -0.03 2.29 0.15 -0.43 -1.00 113.70 118.22 2pxy s SER 149 Ca 0.04 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.41 2pxy s SER 149 Cb -0.07 -0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 63.53 2pxy s SER 149 CO -0.00 0.30 -0.19 -0.31 1.20 0.00 0.00 173.24 174.25 2pxy s TYR 150 N -0.81 2.57 -0.14 3.44 1.51 0.30 -1.13 117.35 123.10 2pxy s TYR 150 Ca 0.13 -0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2pxy s TYR 150 Cb -0.10 -1.57 0.05 0.00 -0.11 0.00 0.00 41.96 40.22 2pxy s TYR 150 CO 0.03 0.12 0.02 -1.17 -1.11 0.00 0.00 175.55 173.43 2pxy s LEU 151 N -0.75 0.86 0.21 -1.29 2.96 0.04 -1.76 118.68 118.95 2pxy s LEU 151 Ca 0.11 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.25 2pxy s LEU 151 Cb -0.10 -0.51 -0.08 0.00 0.50 0.00 0.00 46.19 46.00 2pxy s LEU 151 CO 0.00 -0.26 1.08 0.42 -1.32 0.00 0.00 176.35 176.28 2pxy s THR 152 N 1.93 3.78 0.25 3.68 -4.23 -0.93 0.09 115.64 120.21 2pxy s THR 152 Ca 0.02 1.63 -0.20 0.00 -1.18 0.00 0.00 61.69 61.96 2pxy s THR 152 Cb -0.15 -4.04 0.02 0.00 1.34 0.00 0.00 72.50 69.68 2pxy s THR 152 CO -0.07 0.32 0.64 0.72 -0.54 0.00 0.00 174.62 175.69 2pxy s PHE 153 N -0.59 -0.15 -0.29 3.99 -0.71 -0.82 -4.93 117.98 114.47 2pxy s PHE 153 Ca 0.47 -0.24 -0.00 0.00 -1.04 0.00 0.00 56.93 56.12 2pxy s PHE 153 Cb -0.30 0.57 0.06 0.00 -1.21 0.00 0.00 43.02 42.14 2pxy s PHE 153 CO 0.36 -1.10 -0.03 0.42 -1.34 0.00 0.00 175.22 173.53 2pxy s ILE 154 N -3.90 2.70 0.04 -4.49 -1.09 -1.26 -1.21 121.20 111.99 2pxy s ILE 154 Ca 0.11 -1.52 -0.38 0.00 -2.23 0.00 0.00 60.65 56.63 2pxy s ILE 154 Cb -0.04 -2.59 -0.18 0.00 -1.58 0.00 0.00 42.46 38.07 2pxy s ILE 154 CO 0.03 -0.12 1.27 -2.65 -1.23 0.00 0.00 174.94 172.24 2pxy n PRO 155 N 4.55 0.76 -3.75 2.79 -0.02 -1.26 -4.75 135.00 133.32 2pxy n PRO 155 Ca -0.13 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 2pxy n PRO 155 Cb 0.43 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2pxy n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2pxy s SER 156 N 0.44 -0.35 0.64 2.55 0.15 -1.26 -1.53 113.70 114.34 2pxy s SER 156 Ca 0.87 0.60 0.41 0.00 0.70 0.00 0.00 55.95 58.53 2pxy s SER 156 Cb -1.07 0.65 2.19 0.00 -1.71 0.00 0.00 66.02 66.08 2pxy s SER 156 CO 0.51 -0.21 2.29 -2.24 1.20 0.00 0.00 173.24 174.79 2pxy h ASP 157 N 5.12 0.00 -0.35 5.45 3.04 -2.03 -2.89 116.42 124.77 2pxy h ASP 157 Ca -0.27 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.33 2pxy h ASP 157 Cb 1.18 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.36 2pxy h ASP 157 CO 0.30 0.00 -0.09 -0.90 -2.04 0.00 0.00 179.24 176.52 2pxy n ASP 158 N -3.14 2.43 -4.14 4.15 3.85 -1.26 -4.98 116.55 113.45 2pxy n ASP 158 Ca -0.02 -3.80 -0.28 0.00 -0.71 0.00 0.00 54.79 49.97 2pxy n ASP 158 Cb 0.12 -0.64 -0.16 0.00 -1.35 0.00 0.00 41.12 39.09 2pxy n ASP 158 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 2pxy s ASP 159 N -2.56 2.40 -0.03 -1.12 1.01 -1.09 -5.01 116.67 110.26 2pxy s ASP 159 Ca 0.45 -0.41 0.03 0.00 0.71 0.00 0.00 52.55 53.33 2pxy s ASP 159 Cb 0.41 -0.89 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 2pxy s ASP 159 CO -0.01 0.13 -0.12 -0.63 0.21 0.00 0.00 175.17 174.76 2pxy s ILE 160 N 0.26 3.26 0.02 0.77 -1.09 -1.26 -4.68 121.20 118.48 2pxy s ILE 160 Ca -0.11 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 2pxy s ILE 160 Cb -0.15 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 2pxy s ILE 160 CO 0.05 0.53 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.85 2pxy s TYR 161 N -0.81 1.12 -0.00 3.97 1.51 -0.93 -0.76 117.35 121.45 2pxy s TYR 161 Ca 0.13 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 2pxy s TYR 161 Cb -0.11 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 2pxy s TYR 161 CO 0.02 0.01 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.94 2pxy s ASP 162 N -0.86 0.29 -0.30 2.29 1.01 -0.18 -0.75 116.67 118.16 2pxy s ASP 162 Ca 0.02 -0.04 -0.10 0.00 0.71 0.00 0.00 52.55 53.13 2pxy s ASP 162 Cb -0.07 -0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.80 2pxy s ASP 162 CO 0.01 0.02 0.17 0.00 0.21 0.00 0.00 175.17 175.58 2pxy s LYS 164 N 1.68 3.97 -0.15 0.00 2.20 0.74 -1.44 119.74 126.74 2pxy s LYS 164 Ca 0.06 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.58 2pxy s LYS 164 Cb -0.17 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2pxy s LYS 164 CO 0.08 0.45 -0.18 0.08 -0.36 0.00 0.00 175.35 175.42 2pxy s VAL 165 N -0.10 1.86 -0.18 4.02 1.01 -0.24 -1.53 120.40 125.24 2pxy s VAL 165 Ca 0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2pxy s VAL 165 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2pxy s VAL 165 CO 0.02 0.51 -0.10 -0.70 0.00 0.00 0.00 175.10 174.83 2pxy s GLU 166 N 1.15 3.33 0.04 2.72 2.12 -0.07 -1.24 118.70 126.75 2pxy s GLU 166 Ca -0.00 -0.67 -0.15 0.00 0.36 0.00 0.00 54.97 54.51 2pxy s GLU 166 Cb -0.14 -2.81 0.02 0.00 0.26 0.00 0.00 34.13 31.46 2pxy s GLU 166 CO -0.07 -0.05 0.33 -1.58 -0.54 0.00 0.00 175.26 173.35 2pxy s HIS 167 N 1.04 -0.14 0.43 5.30 2.46 -1.26 -1.64 115.29 121.48 2pxy s HIS 167 Ca -0.00 0.04 0.29 0.00 0.47 0.00 0.00 55.06 55.86 2pxy s HIS 167 Cb -0.15 0.12 1.56 0.00 -0.13 0.00 0.00 32.58 33.99 2pxy s HIS 167 CO -0.01 -0.52 2.11 -1.49 -2.47 0.00 0.00 174.74 172.36 2pxy h TRP 168 N 3.19 0.00 -0.06 3.88 6.55 -1.91 -1.69 115.95 125.92 2pxy h TRP 168 Ca -0.32 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.52 2pxy h TRP 168 Cb 1.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 2pxy h TRP 168 CO 0.44 0.09 0.00 0.41 -1.05 0.00 0.00 178.44 178.33 2pxy n GLY 169 N -0.74 -0.62 3.14 1.49 0.00 -1.26 -4.72 105.19 102.47 2pxy n GLY 169 Ca -0.02 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2pxy n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pxy s LEU 170 N -1.46 1.91 0.09 0.99 1.43 -0.64 -4.39 118.68 116.62 2pxy s LEU 170 Ca 0.24 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 2pxy s LEU 170 Cb 0.12 -1.20 -0.14 0.00 0.03 0.00 0.00 46.19 45.00 2pxy s LEU 170 CO 0.19 0.10 1.74 -0.08 0.23 0.00 0.00 176.35 178.53 2pxy h GLU 171 N 6.93 0.03 -5.73 1.70 4.57 -1.84 -3.43 114.58 116.80 2pxy h GLU 171 Ca -0.25 -0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.44 2pxy h GLU 171 Cb 1.21 -0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.64 2pxy h GLU 171 CO 0.48 0.03 -0.75 -1.21 -1.18 0.00 0.00 179.01 176.38 2pxy s GLU 172 N -6.18 1.36 0.35 1.92 8.01 -1.26 -5.09 118.70 117.81 2pxy s GLU 172 Ca -0.13 -1.56 -0.29 0.00 0.01 0.00 0.00 54.97 53.00 2pxy s GLU 172 Cb 0.06 -1.25 -0.11 0.00 -4.31 0.00 0.00 34.13 28.52 2pxy s GLU 172 CO 0.66 0.22 1.50 -2.14 0.01 0.00 0.00 175.26 175.52 2pxy s PRO 173 N -3.41 4.14 -0.11 0.39 0.02 -1.26 -4.90 135.00 129.87 2pxy s PRO 173 Ca 0.22 2.54 -0.13 0.00 0.02 0.00 0.00 61.00 63.64 2pxy s PRO 173 Cb -0.03 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 2pxy s PRO 173 CO 0.08 -0.53 0.30 0.08 -0.33 0.00 0.00 177.00 176.60 2pxy s VAL 174 N -0.80 5.26 -0.22 3.83 1.01 -0.38 -4.89 120.40 124.22 2pxy s VAL 174 Ca 0.55 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 2pxy s VAL 174 Cb -0.46 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2pxy s VAL 174 CO 0.58 0.48 0.01 -0.76 0.00 0.00 0.00 175.10 175.41 2pxy s LEU 175 N -0.19 3.22 -0.41 3.92 1.43 -1.26 -1.08 118.68 124.32 2pxy s LEU 175 Ca 0.18 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 2pxy s LEU 175 Cb -0.14 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.30 2pxy s LEU 175 CO 0.07 0.01 0.26 -0.75 0.23 0.00 0.00 176.35 176.17 2pxy s LYS 176 N 1.32 2.79 0.63 1.70 2.47 -0.52 -4.92 119.74 123.20 2pxy s LYS 176 Ca 0.04 -1.25 -0.14 0.00 -1.56 0.00 0.00 55.97 53.07 2pxy s LYS 176 Cb -0.15 -3.83 -0.02 0.00 -1.46 0.00 0.00 37.83 32.37 2pxy s LYS 176 CO 0.01 -0.84 1.05 -1.58 0.16 0.00 0.00 175.35 174.15 2pxy s HIS 177 N 1.54 3.10 -0.27 4.03 5.65 -1.26 -1.47 115.29 126.60 2pxy s HIS 177 Ca 0.03 1.46 -0.21 0.00 0.25 0.00 0.00 55.06 56.59 2pxy s HIS 177 Cb -0.21 -2.93 0.07 0.00 -1.18 0.00 0.00 32.58 28.33 2pxy s HIS 177 CO 0.05 -1.09 0.69 -0.46 -0.65 0.00 0.00 174.74 173.28 2pxy s TRP 178 N -2.74 -0.89 -0.03 3.88 -0.00 0.07 -4.88 118.94 114.35 2pxy s TRP 178 Ca 0.61 1.97 -0.02 0.00 -0.00 0.00 0.00 56.10 58.65 2pxy s TRP 178 Cb -0.15 0.42 0.01 0.00 -0.00 0.00 0.00 33.47 33.75 2pxy s TRP 178 CO 0.45 -0.43 0.07 -1.21 -0.00 0.00 0.00 176.95 175.82 2pxy s GLU 179 N 0.91 0.09 0.00 5.86 2.02 -1.26 -2.19 118.70 124.13 2pxy s GLU 179 Ca -0.04 0.09 0.10 0.00 0.02 0.00 0.00 54.97 55.14 2pxy s GLU 179 Cb -0.05 0.04 0.61 0.00 0.10 0.00 0.00 34.13 34.84 2pxy s GLU 179 CO -0.08 -0.01 1.06 -0.35 0.02 0.00 0.00 175.26 175.90