#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyx n GLN 3 N 0.00 0.00 -1.95 1.61 6.02 -1.26 -4.99 117.38 116.81 2pyx n GLN 3 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2pyx n GLN 3 Cb 0.00 -3.40 -0.03 0.00 1.02 0.00 0.00 30.24 27.83 2pyx n GLN 3 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2pyx s LYS 4 N -0.45 4.22 0.40 -1.09 2.20 -1.26 -4.86 119.74 118.89 2pyx s LYS 4 Ca 0.00 2.33 -0.26 0.00 -0.36 0.00 0.00 55.97 57.69 2pyx s LYS 4 Cb 0.00 -3.28 -0.11 0.00 -1.51 0.00 0.00 37.83 32.94 2pyx s LYS 4 CO 0.00 -0.63 1.19 -2.30 -0.36 0.00 0.00 175.35 173.25 2pyx n PRO 5 N 4.40 1.77 -2.57 4.03 -0.02 -1.26 -4.34 135.00 137.02 2pyx n PRO 5 Ca 0.14 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 2pyx n PRO 5 Cb 0.39 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2pyx n PRO 5 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pyx s ILE 6 N -1.19 3.94 0.00 4.25 -1.09 -0.95 -4.74 121.20 121.43 2pyx s ILE 6 Ca 0.60 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 2pyx s ILE 6 Cb -0.55 -4.76 0.00 0.00 -1.58 0.00 0.00 42.46 35.57 2pyx s ILE 6 CO 0.59 -1.45 0.00 0.35 -1.23 0.00 0.00 174.94 173.20 2pyx n THR 7 N 6.62 0.00 -3.32 2.92 -2.24 -1.26 -4.96 114.28 112.04 2pyx n THR 7 Ca 0.07 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.41 2pyx n THR 7 Cb 0.49 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 2pyx n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pyx s GLU 8 N -1.28 3.02 -0.17 -0.78 0.41 -1.26 -0.69 118.70 117.96 2pyx s GLU 8 Ca 0.00 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 2pyx s GLU 8 Cb 0.00 -4.12 0.01 0.00 -1.78 0.00 0.00 34.13 28.24 2pyx s GLU 8 CO 0.00 -1.08 -0.16 0.42 -0.49 0.00 0.00 175.26 173.95 2pyx s ILE 9 N 1.95 2.47 -0.21 -1.63 -1.09 -0.53 -0.36 121.20 121.79 2pyx s ILE 9 Ca 0.08 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2pyx s ILE 9 Cb -0.22 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.62 2pyx s ILE 9 CO 0.08 0.52 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.58 2pyx s ILE 10 N 1.04 2.83 -0.24 2.92 -1.09 -0.49 -1.47 121.20 124.70 2pyx s ILE 10 Ca -0.01 -0.74 -0.10 0.00 -2.23 0.00 0.00 60.65 57.58 2pyx s ILE 10 Cb -0.15 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 2pyx s ILE 10 CO -0.05 0.43 0.14 -0.63 -1.23 0.00 0.00 174.94 173.60 2pyx s ILE 11 N 1.39 5.06 -0.41 2.92 1.01 0.21 -0.23 121.20 131.15 2pyx s ILE 11 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 2pyx s ILE 11 Cb -0.14 -3.36 0.07 0.00 0.01 0.00 0.00 42.46 39.04 2pyx s ILE 11 CO -0.07 0.34 0.24 -0.69 0.00 0.00 0.00 174.94 174.75 2pyx s VAL 12 N 1.24 4.11 0.00 2.92 1.01 0.12 -0.76 120.40 129.05 2pyx s VAL 12 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2pyx s VAL 12 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2pyx s VAL 12 CO 0.05 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.29 2pyx n GLY 13 N 4.88 2.95 0.00 4.51 0.00 0.80 -0.28 105.19 118.05 2pyx n GLY 13 Ca -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2pyx n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyx n GLY 14 N 0.73 0.52 7.00 -0.02 0.00 -1.26 -4.23 105.19 107.92 2pyx n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pyx n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyx n GLY 15 N 5.00 -1.01 0.25 -0.02 0.00 -1.26 -1.40 105.19 106.75 2pyx n GLY 15 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 2pyx n GLY 15 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pyx h THR 16 N 0.00 1.25 -0.11 2.61 1.35 -1.94 -1.94 112.91 114.13 2pyx h THR 16 Ca 0.00 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 2pyx h THR 16 Cb 0.00 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2pyx h THR 16 CO 0.00 0.37 0.04 0.00 -0.25 0.00 0.00 175.52 175.68 2pyx h ALA 17 N 1.34 0.14 -0.18 6.62 0.00 -1.91 -0.87 119.26 124.41 2pyx h ALA 17 Ca 0.08 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2pyx h ALA 17 Cb 0.59 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pyx h ALA 17 CO 0.04 -0.26 -0.26 0.78 0.00 0.00 0.00 179.25 179.55 2pyx h GLY 18 N 0.01 0.55 1.80 0.00 0.00 -1.16 -2.64 103.07 101.62 2pyx h GLY 18 Ca 0.04 -0.60 -0.20 0.00 0.00 0.00 0.00 47.33 46.56 2pyx h GLY 18 CO -0.00 0.54 -0.88 1.49 0.00 0.00 0.00 176.54 177.69 2pyx h TRP 19 N 0.15 0.27 -0.68 5.60 4.06 -1.38 -0.52 115.95 123.46 2pyx h TRP 19 Ca 0.02 -0.15 -0.06 0.00 2.06 0.00 0.00 58.89 60.76 2pyx h TRP 19 Cb 0.83 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.94 2pyx h TRP 19 CO 0.09 0.97 0.19 0.82 -3.56 0.00 0.00 178.44 176.95 2pyx h ILE 20 N 0.10 1.26 0.10 1.49 2.04 -1.22 -1.14 117.51 120.13 2pyx h ILE 20 Ca -0.04 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2pyx h ILE 20 Cb 1.51 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2pyx h ILE 20 CO 0.13 0.35 -0.05 0.74 0.00 0.00 0.00 178.15 179.32 2pyx h THR 21 N 1.00 0.90 -0.55 -0.27 2.02 -1.27 -0.74 112.91 114.02 2pyx h THR 21 Ca 0.22 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.46 2pyx h THR 21 Cb 0.33 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 2pyx h THR 21 CO -0.00 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.13 2pyx h ALA 22 N 0.76 0.70 -0.31 6.16 0.00 -0.92 -1.51 119.26 124.14 2pyx h ALA 22 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2pyx h ALA 22 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2pyx h ALA 22 CO 0.02 -0.14 -0.01 0.78 0.00 0.00 0.00 179.25 179.90 2pyx h GLY 23 N 0.45 0.61 1.01 0.00 0.00 -1.03 -1.08 103.07 103.03 2pyx h GLY 23 Ca 0.26 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2pyx h GLY 23 CO -0.22 0.42 0.07 1.41 0.00 0.00 0.00 176.54 178.22 2pyx h LEU 24 N 0.36 0.88 -0.05 3.11 3.38 -1.01 0.04 115.31 122.01 2pyx h LEU 24 Ca 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2pyx h LEU 24 Cb 0.46 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2pyx h LEU 24 CO 0.02 0.92 0.02 -0.07 0.09 0.00 0.00 178.44 179.43 2pyx h LEU 25 N 0.80 0.07 -0.46 1.67 3.38 -1.21 -2.02 115.31 117.53 2pyx h LEU 25 Ca 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2pyx h LEU 25 Cb 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2pyx h LEU 25 CO 0.01 0.18 0.13 0.00 0.09 0.00 0.00 178.44 178.85 2pyx h ALA 26 N 0.89 0.61 -0.69 1.53 0.00 -1.10 -2.08 119.26 118.41 2pyx h ALA 26 Ca 0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2pyx h ALA 26 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2pyx h ALA 26 CO -0.00 0.28 0.21 0.00 0.00 0.00 0.00 179.25 179.73 2pyx h ALA 27 N 0.99 0.91 -0.34 0.00 0.00 -0.98 0.84 119.26 120.67 2pyx h ALA 27 Ca 0.15 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2pyx h ALA 27 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pyx h ALA 27 CO -0.00 0.60 -0.39 1.49 0.00 0.00 0.00 179.25 180.95 2pyx h GLU 28 N 1.03 0.83 0.00 0.00 4.57 -1.19 -3.31 114.58 116.50 2pyx h GLU 28 Ca 0.22 -0.43 -0.13 0.00 -1.18 0.00 0.00 59.36 57.85 2pyx h GLU 28 Cb 0.32 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2pyx h GLU 28 CO -0.00 1.07 -1.82 0.72 -1.18 0.00 0.00 179.01 177.79 2pyx n HIS 29 N -4.05 0.00 0.40 0.92 8.25 -0.80 -4.73 115.22 115.22 2pyx n HIS 29 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 2pyx n HIS 29 Cb 0.54 -0.51 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 2pyx n HIS 29 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2pyx n ASN 30 N -2.27 1.12 -4.09 0.41 3.02 0.28 -4.39 115.26 109.35 2pyx n ASN 30 Ca -0.13 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.14 2pyx n ASN 30 Cb 0.67 0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 40.18 2pyx n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pyx s VAL 31 N -1.30 1.08 -0.06 2.41 1.01 -1.20 -0.57 120.40 121.78 2pyx s VAL 31 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2pyx s VAL 31 Cb 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2pyx s VAL 31 CO 0.23 0.31 -0.03 -0.62 0.00 0.00 0.00 175.10 174.99 2pyx s ASP 32 N -0.21 1.28 -1.53 3.32 2.15 -0.70 -4.82 116.67 116.16 2pyx s ASP 32 Ca 0.03 -0.13 -0.11 0.00 0.43 0.00 0.00 52.55 52.77 2pyx s ASP 32 Cb -0.06 -0.49 0.08 0.00 -0.30 0.00 0.00 42.92 42.15 2pyx s ASP 32 CO -0.00 -0.10 0.80 0.29 -0.17 0.00 0.00 175.17 175.99 2pyx n LYS 33 N 4.47 -4.44 -0.96 4.34 5.02 -1.26 -1.35 118.16 123.98 2pyx n LYS 33 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2pyx n LYS 33 Cb 0.50 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 2pyx n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pyx n GLY 34 N -1.65 0.48 3.34 0.72 0.00 -1.26 -5.01 105.19 101.81 2pyx n GLY 34 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2pyx n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyx s VAL 35 N -2.16 3.28 0.07 1.61 1.01 -0.46 -5.09 120.40 118.66 2pyx s VAL 35 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 2pyx s VAL 35 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2pyx s VAL 35 CO 0.00 0.47 1.30 -0.22 0.00 0.00 0.00 175.10 176.65 2pyx s LEU 36 N 1.02 4.36 0.51 3.92 2.96 -1.26 -1.72 118.68 128.47 2pyx s LEU 36 Ca -0.00 2.14 -0.23 0.00 -0.22 0.00 0.00 54.13 55.83 2pyx s LEU 36 Cb -0.15 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 2pyx s LEU 36 CO -0.01 -0.58 1.36 0.00 -1.32 0.00 0.00 176.35 175.81 2pyx s ALA 37 N 1.32 2.94 0.20 5.97 0.00 0.27 -4.93 121.76 127.52 2pyx s ALA 37 Ca 0.62 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.84 2pyx s ALA 37 Cb -0.32 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.34 2pyx s ALA 37 CO 0.29 -1.28 1.71 0.45 0.00 0.00 0.00 175.76 176.93 2pyx h HIS 38 N 1.74 1.19 -3.03 0.00 3.86 -1.94 -3.33 115.15 113.64 2pyx h HIS 38 Ca -0.51 -0.15 -0.62 0.00 -1.16 0.00 0.00 60.37 57.94 2pyx h HIS 38 Cb 1.29 -0.33 -0.40 0.00 1.06 0.00 0.00 27.41 29.02 2pyx h HIS 38 CO 0.47 0.97 -0.72 0.45 0.86 0.00 0.00 177.93 179.97 2pyx s SER 39 N -6.46 3.74 0.59 2.45 0.15 -1.26 -5.11 113.70 107.79 2pyx s SER 39 Ca -0.12 -2.79 -0.14 0.00 0.70 0.00 0.00 55.95 53.60 2pyx s SER 39 Cb 0.15 -1.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.26 2pyx s SER 39 CO 0.85 -0.24 1.02 -2.16 1.20 0.00 0.00 173.24 173.91 2pyx s PRO 40 N 0.11 3.58 0.10 5.44 0.04 -1.25 -4.97 135.00 138.05 2pyx s PRO 40 Ca 0.19 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 2pyx s PRO 40 Cb -0.22 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 2pyx s PRO 40 CO -0.02 -0.58 1.67 -0.22 0.04 0.00 0.00 177.00 177.90 2pyx h LYS 41 N 0.24 -0.35 -5.82 4.56 3.64 -1.92 -3.44 116.57 113.49 2pyx h LYS 41 Ca -0.46 0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.27 2pyx h LYS 41 Cb 1.20 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 2pyx h LYS 41 CO 0.60 -0.23 -0.57 -0.51 -2.27 0.00 0.00 179.45 176.47 2pyx s LEU 42 N -10.24 3.89 -0.44 5.20 1.43 -1.26 -4.76 118.68 112.51 2pyx s LEU 42 Ca -0.15 0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2pyx s LEU 42 Cb 0.07 -1.92 0.10 0.00 0.03 0.00 0.00 46.19 44.47 2pyx s LEU 42 CO 0.65 0.38 0.28 0.20 0.23 0.00 0.00 176.35 178.10 2pyx s ASN 43 N -0.89 5.58 -0.22 2.29 0.01 0.14 -5.01 114.94 116.84 2pyx s ASN 43 Ca 0.13 -1.78 -0.06 0.00 -0.71 0.00 0.00 52.86 50.44 2pyx s ASN 43 Cb -0.12 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 2pyx s ASN 43 CO 0.03 -0.60 0.04 -0.63 -1.51 0.00 0.00 177.10 174.43 2pyx s ILE 44 N 1.34 4.30 -0.07 0.60 1.01 -1.26 -1.46 121.20 125.66 2pyx s ILE 44 Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.56 2pyx s ILE 44 Cb -0.24 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2pyx s ILE 44 CO -0.00 0.40 -0.23 -0.89 0.00 0.00 0.00 174.94 174.21 2pyx s THR 45 N 1.09 1.91 -0.20 2.92 2.01 -0.54 -1.51 115.64 121.33 2pyx s THR 45 Ca 0.03 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 2pyx s THR 45 Cb -0.14 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.73 2pyx s THR 45 CO 0.03 0.53 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.18 2pyx s LEU 46 N 0.03 2.68 -0.29 4.42 0.20 0.34 -0.62 118.68 125.45 2pyx s LEU 46 Ca -0.08 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.20 2pyx s LEU 46 Cb -0.15 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 2pyx s LEU 46 CO 0.05 0.01 0.14 -0.63 -0.29 0.00 0.00 176.35 175.62 2pyx s ILE 47 N 1.30 4.61 -0.10 6.68 1.01 0.06 -0.72 121.20 134.04 2pyx s ILE 47 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2pyx s ILE 47 Cb -0.14 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 2pyx s ILE 47 CO -0.05 0.16 -0.13 -0.70 0.00 0.00 0.00 174.94 174.22 2pyx s GLU 48 N 1.63 3.01 0.34 2.79 2.12 0.39 -0.14 118.70 128.84 2pyx s GLU 48 Ca 0.05 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.41 2pyx s GLU 48 Cb -0.16 -2.53 -0.11 0.00 0.26 0.00 0.00 34.13 31.59 2pyx s GLU 48 CO 0.06 0.39 1.52 0.45 -0.54 0.00 0.00 175.26 177.14 2pyx s SER 49 N -0.12 6.39 0.00 -1.70 0.15 -1.25 -0.95 113.70 116.22 2pyx s SER 49 Ca -0.01 2.98 0.24 0.00 0.70 0.00 0.00 55.95 59.86 2pyx s SER 49 Cb -0.14 -2.65 1.24 0.00 -1.71 0.00 0.00 66.02 62.76 2pyx s SER 49 CO 0.03 -0.87 1.80 -0.81 1.20 0.00 0.00 173.24 174.60 2pyx n PRO 50 N 1.18 0.39 -2.18 5.44 -0.04 -1.26 -4.80 135.00 133.72 2pyx n PRO 50 Ca 0.04 0.05 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 2pyx n PRO 50 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2pyx n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pyx s ASP 51 N -2.51 6.62 0.17 3.54 1.01 -1.26 -4.96 116.67 119.29 2pyx s ASP 51 Ca 0.24 2.55 -0.32 0.00 0.71 0.00 0.00 52.55 55.74 2pyx s ASP 51 Cb 0.16 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.35 2pyx s ASP 51 CO 0.36 -0.62 1.67 0.54 0.21 0.00 0.00 175.17 177.32 2pyx s VAL 52 N -1.24 2.37 0.50 -1.27 0.11 -1.26 -4.97 120.40 114.63 2pyx s VAL 52 Ca 0.53 0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 59.61 2pyx s VAL 52 Cb -0.36 -3.14 -0.08 0.00 -1.53 0.00 0.00 36.38 31.27 2pyx s VAL 52 CO 0.47 0.01 1.00 0.00 -3.33 0.00 0.00 175.10 173.26 2pyx s ALA 53 N 1.41 2.96 0.26 1.54 0.00 -1.26 -5.02 121.76 121.65 2pyx s ALA 53 Ca 0.73 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 2pyx s ALA 53 Cb -0.46 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 2pyx s ALA 53 CO 0.32 -0.27 1.42 2.41 0.00 0.00 0.00 175.76 179.64 2pyx n THR 54 N -1.31 1.09 -3.48 0.00 -1.04 -1.26 -4.99 114.28 103.28 2pyx n THR 54 Ca 0.08 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.05 61.47 2pyx n THR 54 Cb 0.53 -1.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.44 2pyx n THR 54 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2pyx s ILE 55 N -0.18 4.99 0.46 12.58 -0.00 -1.26 -5.05 121.20 132.74 2pyx s ILE 55 Ca 0.66 0.60 0.03 0.00 -0.00 0.00 0.00 60.65 61.95 2pyx s ILE 55 Cb -0.62 -3.68 0.03 0.00 -0.00 0.00 0.00 42.46 38.20 2pyx s ILE 55 CO 0.51 0.26 0.29 0.61 -0.00 0.00 0.00 174.94 176.60 2pyx n GLY 56 N 0.82 2.93 0.24 6.27 0.00 -1.26 -5.08 105.19 109.12 2pyx n GLY 56 Ca -0.07 -2.29 0.06 0.00 0.00 0.00 0.00 46.02 43.72 2pyx n GLY 56 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pyx n VAL 57 N -1.50 1.09 0.00 1.61 0.24 -1.26 -5.01 118.33 113.49 2pyx n VAL 57 Ca -0.04 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 2pyx n VAL 57 Cb 0.53 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2pyx n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pyx n GLY 58 N -0.82 3.55 2.98 7.63 0.00 -1.26 -3.62 105.19 113.65 2pyx n GLY 58 Ca 0.09 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 2pyx n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pyx s GLU 59 N -4.66 0.29 0.22 1.61 2.12 -0.25 -4.96 118.70 113.05 2pyx s GLU 59 Ca 0.00 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 54.90 2pyx s GLU 59 Cb 0.00 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 2pyx s GLU 59 CO 0.00 -0.05 0.29 0.20 -0.54 0.00 0.00 175.26 175.16 2pyx s GLY 60 N -1.21 1.39 0.37 -1.50 0.00 -1.26 -0.70 107.32 104.41 2pyx s GLY 60 Ca -0.13 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.39 2pyx s GLY 60 CO -0.01 -1.26 0.06 -0.51 0.00 0.00 0.00 173.10 171.39 2pyx s THR 61 N -1.95 1.20 0.46 0.90 -4.23 0.02 -4.68 115.64 107.35 2pyx s THR 61 Ca 0.34 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.92 2pyx s THR 61 Cb -0.09 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2pyx s THR 61 CO 0.27 0.00 0.63 0.26 -0.54 0.00 0.00 174.62 175.24 2pyx s TRP 62 N -3.15 2.57 0.44 3.99 0.52 -1.26 -4.23 118.94 117.83 2pyx s TRP 62 Ca 0.31 -0.42 0.40 0.00 0.02 0.00 0.00 56.10 56.40 2pyx s TRP 62 Cb 0.07 -2.39 2.08 0.00 -1.15 0.00 0.00 33.47 32.08 2pyx s TRP 62 CO 0.14 -0.59 2.22 -1.35 0.02 0.00 0.00 176.95 177.39 2pyx h PRO 63 N 0.51 0.00 -2.39 4.98 0.11 -1.94 -3.40 132.00 129.87 2pyx h PRO 63 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2pyx h PRO 63 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pyx h PRO 63 CO 0.45 0.00 0.11 -1.13 -0.21 0.00 0.00 178.00 177.22 2pyx n SER 64 N -2.98 0.00 0.00 -2.05 3.41 -1.26 -4.04 113.62 106.70 2pyx n SER 64 Ca -0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 2pyx n SER 64 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2pyx n SER 64 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pyx n ARG 66 N 1.90 0.00 -0.08 4.33 1.74 -1.26 -1.22 116.66 122.07 2pyx n ARG 66 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2pyx n ARG 66 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2pyx n ARG 66 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2pyx h SER 67 N 0.00 0.66 -0.29 0.55 0.02 -1.96 -1.63 113.55 110.91 2pyx h SER 67 Ca 0.00 -0.50 0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2pyx h SER 67 Cb 0.00 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 2pyx h SER 67 CO 0.00 1.03 0.07 0.74 -1.14 0.00 0.00 176.83 177.53 2pyx h THR 68 N 0.31 0.87 -0.42 -2.27 2.02 -1.51 0.31 112.91 112.22 2pyx h THR 68 Ca 0.03 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 2pyx h THR 68 Cb 0.87 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2pyx h THR 68 CO 0.07 0.03 0.24 -0.07 0.37 0.00 0.00 175.52 176.17 2pyx h LEU 69 N 0.18 0.51 -0.47 2.58 3.38 -1.82 -0.94 115.31 118.74 2pyx h LEU 69 Ca 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2pyx h LEU 69 Cb 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2pyx h LEU 69 CO -0.17 0.43 0.23 -1.28 0.09 0.00 0.00 178.44 177.75 2pyx h SER 70 N 0.55 0.61 -0.84 -0.43 0.87 -0.99 -0.74 113.55 112.59 2pyx h SER 70 Ca 0.15 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2pyx h SER 70 Cb 0.02 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 2pyx h SER 70 CO -0.03 0.57 0.43 0.11 -0.53 0.00 0.00 176.83 177.38 2pyx h LYS 71 N 0.62 1.18 -0.03 2.24 1.57 -0.76 -2.18 116.57 119.21 2pyx h LYS 71 Ca 0.16 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2pyx h LYS 71 Cb 0.11 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2pyx h LYS 71 CO -0.02 0.89 -0.35 0.82 -0.57 0.00 0.00 179.45 180.22 2pyx h ILE 72 N 1.18 1.26 0.00 1.86 2.04 -0.95 -3.46 117.51 119.44 2pyx h ILE 72 Ca 0.29 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2pyx h ILE 72 Cb 0.07 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2pyx h ILE 72 CO -0.04 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.08 2pyx n GLY 73 N -0.48 1.49 3.75 5.37 0.00 -0.39 -4.91 105.19 110.02 2pyx n GLY 73 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2pyx n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pyx s ILE 74 N -2.00 4.84 0.13 -0.61 -1.09 -0.57 -5.02 121.20 116.88 2pyx s ILE 74 Ca 0.00 1.47 -0.30 0.00 -2.23 0.00 0.00 60.65 59.59 2pyx s ILE 74 Cb 0.00 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 2pyx s ILE 74 CO 0.00 0.37 1.08 -0.62 -1.23 0.00 0.00 174.94 174.54 2pyx s ASP 75 N 0.03 7.28 0.25 3.58 -1.08 -1.26 -4.46 116.67 121.01 2pyx s ASP 75 Ca 0.36 1.99 -0.04 0.00 -0.52 0.00 0.00 52.55 54.34 2pyx s ASP 75 Cb -0.19 -2.59 0.30 0.00 -1.46 0.00 0.00 42.92 38.97 2pyx s ASP 75 CO 0.20 -0.24 1.80 -0.08 0.52 0.00 0.00 175.17 177.38 2pyx h GLU 76 N 5.59 0.98 -0.37 4.34 4.81 -1.96 -0.56 114.58 127.40 2pyx h GLU 76 Ca -0.43 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 58.58 2pyx h GLU 76 Cb 1.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2pyx h GLU 76 CO 0.74 0.84 0.13 -0.91 -0.73 0.00 0.00 179.01 179.08 2pyx h ASN 77 N 0.95 0.53 -0.35 1.04 2.35 -1.93 -0.88 115.58 117.29 2pyx h ASN 77 Ca 0.21 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2pyx h ASN 77 Cb 0.27 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 2pyx h ASN 77 CO -0.01 0.58 0.12 0.44 -1.65 0.00 0.00 177.43 176.92 2pyx h ASP 78 N 0.45 0.14 0.10 5.81 3.32 -1.85 -0.52 116.42 123.86 2pyx h ASP 78 Ca 0.12 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.22 2pyx h ASP 78 Cb 0.23 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2pyx h ASP 78 CO -0.01 0.11 -0.19 0.15 -1.72 0.00 0.00 179.24 177.59 2pyx h PHE 79 N 0.28 -0.50 -0.62 4.55 3.57 -0.93 -0.38 116.94 122.89 2pyx h PHE 79 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2pyx h PHE 79 Cb 0.13 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2pyx h PHE 79 CO -0.14 -0.28 0.40 0.82 -2.23 0.00 0.00 178.31 176.88 2pyx h ILE 80 N -0.36 1.17 -0.31 1.41 2.04 -0.96 -0.71 117.51 119.78 2pyx h ILE 80 Ca 0.03 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 2pyx h ILE 80 Cb 0.38 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2pyx h ILE 80 CO -0.11 0.16 -0.18 0.03 0.00 0.00 0.00 178.15 178.05 2pyx h ARG 81 N 0.84 0.67 0.00 2.37 3.08 -0.97 -2.84 114.38 117.54 2pyx h ARG 81 Ca 0.23 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2pyx h ARG 81 Cb -0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2pyx h ARG 81 CO -0.05 0.90 -0.56 1.96 -1.07 0.00 0.00 179.97 181.16 2pyx h GLN 82 N 0.43 0.00 -0.32 0.04 4.20 -0.89 -3.35 115.11 115.23 2pyx h GLN 82 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2pyx h GLN 82 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2pyx h GLN 82 CO 0.05 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 2pyx n ASP 84 N 0.14 -0.88 -4.90 0.00 8.00 -1.20 -1.25 116.55 116.46 2pyx n ASP 84 Ca 0.15 -0.93 -0.30 0.00 0.71 0.00 0.00 54.79 54.42 2pyx n ASP 84 Cb 0.60 -3.44 -0.04 0.00 -0.02 0.00 0.00 41.12 38.22 2pyx n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pyx s ALA 85 N -3.81 3.77 0.28 2.24 0.00 -1.07 -4.25 121.76 118.92 2pyx s ALA 85 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2pyx s ALA 85 Cb -0.03 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 2pyx s ALA 85 CO 0.86 0.57 0.04 -1.54 0.00 0.00 0.00 175.76 175.69 2pyx s SER 86 N -2.66 2.00 0.02 0.00 1.04 -0.26 -4.60 113.70 109.24 2pyx s SER 86 Ca 0.41 -1.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 2pyx s SER 86 Cb -0.12 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 2pyx s SER 86 CO 0.26 -0.59 0.69 -0.36 0.98 0.00 0.00 173.24 174.21 2pyx s PHE 87 N -3.41 3.71 -0.16 5.02 0.08 -1.26 -0.96 117.98 120.99 2pyx s PHE 87 Ca 0.34 1.34 -0.00 0.00 0.12 0.00 0.00 56.93 58.73 2pyx s PHE 87 Cb 0.07 -2.72 -0.00 0.00 -0.57 0.00 0.00 43.02 39.80 2pyx s PHE 87 CO 0.13 0.30 -0.14 0.21 -0.10 0.00 0.00 175.22 175.63 2pyx s LYS 88 N -0.09 3.26 0.00 0.44 2.20 0.20 -4.62 119.74 121.13 2pyx s LYS 88 Ca 0.35 -0.72 0.13 0.00 -0.36 0.00 0.00 55.97 55.37 2pyx s LYS 88 Cb -0.19 -2.68 0.30 0.00 -1.51 0.00 0.00 37.83 33.75 2pyx s LYS 88 CO 0.20 0.02 1.20 1.04 -0.36 0.00 0.00 175.35 177.45 2pyx n GLN 89 N 4.07 2.29 -1.10 4.03 6.02 -0.11 -0.63 117.38 131.95 2pyx n GLN 89 Ca -0.19 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 2pyx n GLN 89 Cb 0.52 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2pyx n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pyx n GLY 90 N 0.75 0.56 3.13 1.08 0.00 -1.26 -1.07 105.19 108.38 2pyx n GLY 90 Ca 0.12 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 2pyx n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pyx s SER 91 N -4.00 2.49 -0.25 1.61 0.01 -0.67 -1.70 113.70 111.19 2pyx s SER 91 Ca 0.00 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 2pyx s SER 91 Cb 0.00 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 2pyx s SER 91 CO 0.00 0.10 0.14 -0.60 0.41 0.00 0.00 173.24 173.30 2pyx s ARG 92 N 0.47 3.92 -0.26 12.44 3.52 0.51 -0.76 118.95 138.78 2pyx s ARG 92 Ca -0.17 -0.34 -0.09 0.00 -0.13 0.00 0.00 55.73 55.00 2pyx s ARG 92 Cb -0.17 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2pyx s ARG 92 CO 0.07 -0.08 0.11 -0.06 -0.81 0.00 0.00 175.30 174.53 2pyx s PHE 93 N 1.42 3.13 -0.10 5.12 0.08 -0.08 -0.94 117.98 126.61 2pyx s PHE 93 Ca 0.07 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2pyx s PHE 93 Cb -0.15 -2.29 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 2pyx s PHE 93 CO 0.07 -0.32 -0.18 0.42 -0.10 0.00 0.00 175.22 175.11 2pyx s ILE 94 N 1.65 2.67 -1.78 0.64 1.01 -0.11 -1.36 121.20 123.91 2pyx s ILE 94 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2pyx s ILE 94 Cb -0.16 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2pyx s ILE 94 CO 0.06 0.55 0.00 0.59 0.00 0.00 0.00 174.94 176.14 2pyx n ASN 95 N 3.29 -5.28 0.08 3.58 3.02 0.50 -1.36 115.26 119.10 2pyx n ASN 95 Ca -0.18 0.24 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 2pyx n ASN 95 Cb 0.53 -4.37 -0.04 0.00 -0.61 0.00 0.00 39.78 35.28 2pyx n ASN 95 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2pyx h TRP 96 N 0.00 0.00 0.16 3.10 4.06 -1.83 -3.39 115.95 118.05 2pyx h TRP 96 Ca -0.40 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.22 2pyx h TRP 96 Cb 1.26 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.42 2pyx h TRP 96 CO 0.51 0.66 -1.58 0.00 -3.56 0.00 0.00 178.44 174.46 2pyx s LYS 98 N -2.60 0.77 0.09 0.00 1.02 -1.26 -0.09 119.74 117.66 2pyx s LYS 98 Ca -0.11 -1.13 -0.32 0.00 0.02 0.00 0.00 55.97 54.43 2pyx s LYS 98 Cb 0.06 -0.36 -0.11 0.00 -0.52 0.00 0.00 37.83 36.89 2pyx s LYS 98 CO 0.87 0.04 1.81 -0.25 -0.92 0.00 0.00 175.35 176.90 2pyx n ASP 99 N 0.56 3.79 -4.71 2.83 8.00 -1.26 -4.81 116.55 120.94 2pyx n ASP 99 Ca -0.16 1.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.90 2pyx n ASP 99 Cb 0.58 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 2pyx n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2pyx n PRO 100 N 5.54 2.47 -4.76 -0.24 -0.02 -1.26 -5.02 135.00 131.71 2pyx n PRO 100 Ca 0.19 0.88 -0.25 0.00 -2.02 0.00 0.00 63.50 62.31 2pyx n PRO 100 Cb 0.35 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.04 2pyx n PRO 100 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2pyx s GLN 101 N -0.13 1.37 0.50 -0.52 -0.21 -1.26 -5.06 119.66 114.36 2pyx s GLN 101 Ca 0.68 -0.70 0.19 0.00 0.02 0.00 0.00 55.36 55.56 2pyx s GLN 101 Cb -0.56 -1.36 1.28 0.00 1.00 0.00 0.00 33.01 33.37 2pyx s GLN 101 CO 0.46 0.37 2.09 0.66 -2.12 0.00 0.00 175.29 176.75 2pyx h SER 102 N 5.48 0.00 -0.41 5.90 4.64 -2.05 -2.22 113.55 124.90 2pyx h SER 102 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2pyx h SER 102 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2pyx h SER 102 CO 0.47 0.09 0.02 -0.46 -0.87 0.00 0.00 176.83 176.08 2pyx n ASN 103 N -4.21 4.59 -3.85 4.97 6.94 -1.26 -4.88 115.26 117.56 2pyx n ASN 103 Ca -0.03 -3.03 -0.30 0.00 -0.02 0.00 0.00 54.58 51.21 2pyx n ASN 103 Cb 0.17 -0.61 -0.16 0.00 -2.36 0.00 0.00 39.78 36.82 2pyx n ASN 103 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2pyx s VAL 104 N -2.84 1.23 0.26 3.53 1.01 -0.84 -5.11 120.40 117.65 2pyx s VAL 104 Ca 0.48 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 2pyx s VAL 104 Cb 0.38 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 2pyx s VAL 104 CO 0.11 -0.35 1.40 0.00 0.00 0.00 0.00 175.10 176.27 2pyx s ALA 105 N 1.49 3.59 -0.32 5.51 0.00 -1.26 -4.55 121.76 126.23 2pyx s ALA 105 Ca 0.02 1.30 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 2pyx s ALA 105 Cb -0.18 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.53 2pyx s ALA 105 CO -0.12 -0.71 0.23 0.34 0.00 0.00 0.00 175.76 175.49 2pyx s ASP 106 N 0.19 2.58 -0.23 0.00 2.15 -1.26 -5.07 116.67 115.03 2pyx s ASP 106 Ca 0.57 -1.41 -0.23 0.00 0.43 0.00 0.00 52.55 51.91 2pyx s ASP 106 Cb -0.41 -0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.26 2pyx s ASP 106 CO 0.45 -0.37 0.64 -0.55 -0.17 0.00 0.00 175.17 175.18 2pyx s SER 107 N 1.82 -0.67 0.09 -0.34 0.15 -1.26 -0.37 113.70 113.13 2pyx s SER 107 Ca 0.12 1.25 -0.07 0.00 0.70 0.00 0.00 55.95 57.96 2pyx s SER 107 Cb -0.17 1.26 -0.01 0.00 -1.71 0.00 0.00 66.02 65.39 2pyx s SER 107 CO -0.22 -0.25 0.16 -0.72 1.20 0.00 0.00 173.24 173.41 2pyx s TYR 108 N 0.23 0.29 -0.10 3.44 -0.85 -0.46 -5.00 117.35 114.89 2pyx s TYR 108 Ca -0.01 -0.73 -0.01 0.00 -0.52 0.00 0.00 57.07 55.80 2pyx s TYR 108 Cb -0.04 -0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2pyx s TYR 108 CO 0.01 -0.54 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.29 2pyx s LEU 109 N -2.90 3.26 -0.58 -3.49 2.96 -1.26 -0.90 118.68 115.77 2pyx s LEU 109 Ca 0.08 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.88 2pyx s LEU 109 Cb 0.05 -1.74 0.15 0.00 0.50 0.00 0.00 46.19 45.15 2pyx s LEU 109 CO -0.09 0.30 0.44 -2.28 -1.32 0.00 0.00 176.35 173.41 2pyx s HIS 110 N -0.42 3.49 0.57 5.38 5.65 0.06 -4.85 115.29 125.17 2pyx s HIS 110 Ca 0.07 -2.19 -0.11 0.00 0.25 0.00 0.00 55.06 53.08 2pyx s HIS 110 Cb -0.12 -3.45 -0.05 0.00 -1.18 0.00 0.00 32.58 27.78 2pyx s HIS 110 CO 0.02 -0.95 0.97 -1.25 -0.65 0.00 0.00 174.74 172.88 2pyx s PRO 111 N 0.70 3.66 0.31 2.88 0.04 -1.26 -1.67 135.00 139.66 2pyx s PRO 111 Ca 0.11 0.68 0.16 0.00 0.04 0.00 0.00 61.00 62.00 2pyx s PRO 111 Cb -0.21 -2.15 0.34 0.00 0.04 0.00 0.00 34.50 32.51 2pyx s PRO 111 CO -0.03 -0.43 1.57 0.74 0.04 0.00 0.00 177.00 178.89 2pyx h PHE 112 N 0.07 0.00 -3.64 0.56 0.04 -1.37 -3.46 116.94 109.14 2pyx h PHE 112 Ca -0.45 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 59.80 2pyx h PHE 112 Cb 1.19 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.40 2pyx h PHE 112 CO 0.64 0.49 0.67 -1.12 -0.60 0.00 0.00 178.31 178.39 2pyx s SER 113 N -6.47 6.78 0.60 2.17 0.01 -1.26 -4.86 113.70 110.66 2pyx s SER 113 Ca 0.02 2.61 -0.15 0.00 1.31 0.00 0.00 55.95 59.74 2pyx s SER 113 Cb 0.09 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2pyx s SER 113 CO 0.72 -0.57 1.05 -0.76 0.41 0.00 0.00 173.24 174.09 2pyx s LEU 114 N -1.04 3.45 0.31 2.44 1.43 -1.26 -4.98 118.68 119.03 2pyx s LEU 114 Ca 0.53 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 2pyx s LEU 114 Cb -0.39 -4.52 -0.13 0.00 0.03 0.00 0.00 46.19 41.17 2pyx s LEU 114 CO 0.47 -1.11 1.22 -2.65 0.23 0.00 0.00 176.35 174.51 2pyx n PRO 115 N -2.15 1.85 -1.75 1.29 -0.02 -1.26 -4.86 135.00 128.09 2pyx n PRO 115 Ca 0.08 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2pyx n PRO 115 Cb 0.53 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2pyx n PRO 115 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2pyx n HIS 116 N 0.57 2.76 -1.52 6.00 -0.00 0.15 -2.44 115.22 120.74 2pyx n HIS 116 Ca 0.07 0.48 -0.12 0.00 0.46 0.00 0.00 57.72 58.61 2pyx n HIS 116 Cb 0.34 -2.49 -0.04 0.00 -0.12 0.00 0.00 29.99 27.67 2pyx n HIS 116 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2pyx n GLY 117 N 0.55 1.04 0.32 1.57 0.00 -1.26 -4.76 105.19 102.65 2pyx n GLY 117 Ca 0.02 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.75 2pyx n GLY 117 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2pyx h HIS 118 N 0.00 0.00 0.00 1.61 -0.00 -1.62 0.12 115.15 115.26 2pyx h HIS 118 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 2pyx h HIS 118 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2pyx h HIS 118 CO 0.34 0.00 0.00 1.96 -0.00 0.00 0.00 177.93 180.23 2pyx h GLN 119 N 0.00 0.00 0.00 5.12 7.50 -1.91 -3.33 115.11 122.49 2pyx h GLN 119 Ca 0.12 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.93 2pyx h GLN 119 Cb 0.48 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.95 2pyx h GLN 119 CO -0.00 0.00 -2.26 0.39 -1.50 0.00 0.00 178.83 175.46 2pyx n GLU 120 N -2.66 0.74 -3.64 1.46 1.02 0.28 -5.06 120.64 112.79 2pyx n GLU 120 Ca 0.03 0.09 -0.07 0.00 -0.02 0.00 0.00 57.16 57.19 2pyx n GLU 120 Cb 0.35 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 2pyx n GLU 120 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2pyx s LEU 121 N -6.00 -0.49 -0.53 -4.62 2.96 -0.45 -5.11 118.68 104.44 2pyx s LEU 121 Ca -0.24 0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 54.28 2pyx s LEU 121 Cb 0.07 1.86 0.03 0.00 0.50 0.00 0.00 46.19 48.65 2pyx s LEU 121 CO 0.58 -0.15 1.12 -0.62 -1.32 0.00 0.00 176.35 175.97 2pyx s ASP 122 N 0.68 6.50 0.53 3.68 -1.08 -1.26 -4.02 116.67 121.70 2pyx s ASP 122 Ca -0.02 0.18 0.32 0.00 -0.52 0.00 0.00 52.55 52.51 2pyx s ASP 122 Cb -0.05 -2.53 1.24 0.00 -1.46 0.00 0.00 42.92 40.12 2pyx s ASP 122 CO -0.10 -1.34 1.94 -0.07 0.52 0.00 0.00 175.17 176.12 2pyx h LEU 123 N 11.47 0.00 -0.31 -1.34 3.38 -1.91 -3.37 115.31 123.23 2pyx h LEU 123 Ca -0.24 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2pyx h LEU 123 Cb 1.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 2pyx h LEU 123 CO 1.14 0.02 -0.40 0.00 0.09 0.00 0.00 178.44 179.30 2pyx h PRO 125 N -0.36 0.00 0.00 0.00 0.13 -1.96 -1.36 132.00 128.45 2pyx h PRO 125 Ca 0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.16 2pyx h PRO 125 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2pyx h PRO 125 CO -0.50 0.07 -0.47 1.88 -0.23 0.00 0.00 178.00 178.75 2pyx h TYR 126 N 0.00 0.00 0.00 1.56 0.05 -1.28 -3.18 116.97 114.12 2pyx h TYR 126 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 2pyx h TYR 126 Cb 0.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2pyx h TYR 126 CO 0.00 0.47 -0.91 2.35 -1.05 0.00 0.00 178.16 179.03 2pyx h TRP 127 N 0.00 0.43 -0.77 4.88 7.01 0.01 -3.39 115.95 124.11 2pyx h TRP 127 Ca -0.00 -0.23 0.18 0.00 2.11 0.00 0.00 58.89 60.94 2pyx h TRP 127 Cb 1.09 -0.05 -0.14 0.00 -2.10 0.00 0.00 29.16 27.97 2pyx h TRP 127 CO 0.00 1.05 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.62 2pyx h LEU 128 N 0.16 -0.39 -1.49 0.65 3.38 -1.38 0.41 115.31 116.64 2pyx h LEU 128 Ca -0.06 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pyx h LEU 128 Cb 1.54 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2pyx h LEU 128 CO 0.15 -0.20 0.01 -0.65 0.09 0.00 0.00 178.44 177.84 2pyx h PRO 129 N 0.09 0.00 -0.42 1.13 0.11 -1.77 -2.65 132.00 128.48 2pyx h PRO 129 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2pyx h PRO 129 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2pyx h PRO 129 CO -0.69 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.82 2pyx n HIS 130 N -2.29 0.94 0.25 0.65 8.25 0.14 -4.70 115.22 118.46 2pyx n HIS 130 Ca -0.01 -0.65 0.11 0.00 -0.26 0.00 0.00 57.72 56.91 2pyx n HIS 130 Cb 0.05 -0.18 0.72 0.00 1.12 0.00 0.00 29.99 31.69 2pyx n HIS 130 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pyx h ALA 131 N 2.65 1.91 0.00 -1.41 0.00 -1.50 0.51 119.26 121.42 2pyx h ALA 131 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pyx h ALA 131 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pyx h ALA 131 CO 0.14 -0.05 -0.20 0.39 0.00 0.00 0.00 179.25 179.53 2pyx n GLU 132 N -4.34 0.16 -0.08 0.00 -0.58 -1.26 -3.96 120.64 110.57 2pyx n GLU 132 Ca -0.02 0.10 -0.08 0.00 -0.42 0.00 0.00 57.16 56.74 2pyx n GLU 132 Cb 0.13 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.20 2pyx n GLU 132 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2pyx n GLN 133 N -1.93 1.01 -3.72 3.49 3.00 0.11 -5.02 117.38 114.32 2pyx n GLN 133 Ca 0.05 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.89 2pyx n GLN 133 Cb 0.40 -1.46 -0.09 0.00 0.00 0.00 0.00 30.24 29.08 2pyx n GLN 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2pyx s VAL 134 N -2.50 0.02 0.57 5.09 0.11 -0.82 -5.15 120.40 117.72 2pyx s VAL 134 Ca -0.09 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 2pyx s VAL 134 Cb 0.06 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 2pyx s VAL 134 CO 0.75 -0.09 1.13 -0.94 -3.33 0.00 0.00 175.10 172.61 2pyx s SER 135 N -0.48 5.57 0.16 3.54 1.04 -1.26 -4.35 113.70 117.92 2pyx s SER 135 Ca -0.06 2.15 -0.18 0.00 0.48 0.00 0.00 55.95 58.34 2pyx s SER 135 Cb -0.03 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.58 2pyx s SER 135 CO 0.03 -1.32 1.68 0.15 0.98 0.00 0.00 173.24 174.76 2pyx h PHE 136 N 0.94 -0.18 -0.62 5.02 3.57 -1.91 -1.13 116.94 122.63 2pyx h PHE 136 Ca -0.49 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 2pyx h PHE 136 Cb 1.26 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 2pyx h PHE 136 CO 0.52 -0.15 0.22 0.00 -2.23 0.00 0.00 178.31 176.67 2pyx h ALA 137 N 1.36 0.80 -0.66 2.41 0.00 -1.92 -1.76 119.26 119.49 2pyx h ALA 137 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pyx h ALA 137 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2pyx h ALA 137 CO -0.36 0.45 0.31 1.49 0.00 0.00 0.00 179.25 181.14 2pyx h GLU 138 N 0.87 0.94 -0.08 0.00 4.81 -1.76 -1.43 114.58 117.94 2pyx h GLU 138 Ca 0.20 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2pyx h GLU 138 Cb 0.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2pyx h GLU 138 CO -0.01 0.73 -0.32 0.00 -0.73 0.00 0.00 179.01 178.68 2pyx h ALA 139 N 1.41 1.31 -0.00 2.92 0.00 -0.37 -3.35 119.26 121.18 2pyx h ALA 139 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pyx h ALA 139 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pyx h ALA 139 CO -0.03 0.48 -0.03 1.33 0.00 0.00 0.00 179.25 181.00 2pyx n VAL 140 N -4.12 0.00 -4.11 0.00 0.24 -0.81 -4.77 118.33 104.77 2pyx n VAL 140 Ca -0.01 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 2pyx n VAL 140 Cb 0.40 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.67 2pyx n VAL 140 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pyx n SER 142 N 0.28 0.54 0.22 0.00 3.41 -1.26 -4.53 113.62 112.28 2pyx n SER 142 Ca -0.15 -0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.39 2pyx n SER 142 Cb 0.60 1.04 0.51 0.00 -0.26 0.00 0.00 64.21 66.11 2pyx n SER 142 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2pyx h GLN 143 N 0.00 0.00 0.40 4.33 4.20 -1.96 -1.99 115.11 120.09 2pyx h GLN 143 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2pyx h GLN 143 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2pyx h GLN 143 CO 0.00 0.25 -0.21 0.37 -0.67 0.00 0.00 178.83 178.57 2pyx h GLN 144 N 0.00 -0.54 -0.43 1.46 5.75 -1.83 0.32 115.11 119.83 2pyx h GLN 144 Ca -0.00 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2pyx h GLN 144 Cb 0.58 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 2pyx h GLN 144 CO 0.03 -0.36 0.13 0.28 -2.65 0.00 0.00 178.83 176.26 2pyx h VAL 145 N -0.57 1.22 -0.40 2.39 2.07 -1.83 -2.10 116.25 117.04 2pyx h VAL 145 Ca -0.05 -0.74 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 2pyx h VAL 145 Cb 0.44 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2pyx h VAL 145 CO 0.08 0.26 -0.29 -0.07 0.02 0.00 0.00 177.57 177.58 2pyx h LEU 146 N 0.55 0.95 -0.72 2.57 3.38 -1.27 -2.64 115.31 118.13 2pyx h LEU 146 Ca 0.14 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 2pyx h LEU 146 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2pyx h LEU 146 CO -0.00 1.18 -0.55 0.71 0.09 0.00 0.00 178.44 179.87 2pyx h THR 147 N 0.73 1.36 -0.49 0.22 1.35 -0.93 -1.79 112.91 113.36 2pyx h THR 147 Ca 0.08 -1.85 0.03 0.00 -0.55 0.00 0.00 66.41 64.12 2pyx h THR 147 Cb 0.87 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 2pyx h THR 147 CO 0.08 0.55 0.33 1.56 -0.25 0.00 0.00 175.52 177.78 2pyx h GLN 148 N 0.20 0.54 -0.02 4.72 4.20 -1.17 -1.12 115.11 122.45 2pyx h GLN 148 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2pyx h GLN 148 Cb 1.03 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2pyx h GLN 148 CO 0.09 0.36 0.00 1.28 -0.67 0.00 0.00 178.83 179.88 2pyx n LEU 149 N -4.47 0.44 -1.07 1.46 4.77 -0.92 -4.92 117.00 112.29 2pyx n LEU 149 Ca 0.06 -0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 2pyx n LEU 149 Cb 0.15 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2pyx n LEU 149 CO 0.35 0.08 -0.12 0.61 -1.33 0.00 0.00 177.39 176.98 2pyx n GLY 150 N 0.98 0.28 3.91 -0.72 0.00 -0.42 -4.96 105.19 104.26 2pyx n GLY 150 Ca 0.19 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2pyx n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyx s LEU 151 N -2.79 4.01 0.81 0.99 1.43 -0.72 -2.61 118.68 119.80 2pyx s LEU 151 Ca 0.00 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 2pyx s LEU 151 Cb 0.00 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.76 2pyx s LEU 151 CO 0.00 -0.25 1.18 0.00 0.23 0.00 0.00 176.35 177.51 2pyx s ALA 152 N -2.18 2.63 -2.44 4.21 0.00 0.76 -4.61 121.76 120.14 2pyx s ALA 152 Ca 0.44 -0.64 0.28 0.00 0.00 0.00 0.00 51.96 52.04 2pyx s ALA 152 Cb -0.10 -2.96 1.15 0.00 0.00 0.00 0.00 23.12 21.20 2pyx s ALA 152 CO 0.32 -1.69 1.80 -0.35 0.00 0.00 0.00 175.76 175.84 2pyx n PRO 153 N -3.33 1.59 -3.84 0.00 -0.04 -1.26 -4.84 135.00 123.28 2pyx n PRO 153 Ca 0.08 -0.85 -0.07 0.00 -0.04 0.00 0.00 63.50 62.62 2pyx n PRO 153 Cb 0.61 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2pyx n PRO 153 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2pyx s LYS 154 N -2.00 1.80 0.38 0.54 -2.85 -1.26 -0.67 119.74 115.69 2pyx s LYS 154 Ca 0.39 -1.04 0.08 0.00 -1.00 0.00 0.00 55.97 54.39 2pyx s LYS 154 Cb 0.21 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.53 2pyx s LYS 154 CO 0.34 -0.83 0.25 -1.12 0.10 0.00 0.00 175.35 174.09 2pyx s SER 155 N -2.97 4.84 0.56 0.03 0.01 -1.26 -4.57 113.70 110.35 2pyx s SER 155 Ca 0.12 -0.79 0.32 0.00 1.31 0.00 0.00 55.95 56.92 2pyx s SER 155 Cb -0.05 -0.66 1.68 0.00 0.21 0.00 0.00 66.02 67.19 2pyx s SER 155 CO 0.07 -0.48 2.14 -0.29 0.41 0.00 0.00 173.24 175.10 2pyx h ILE 156 N 1.30 0.35 -0.00 1.44 6.09 -1.97 -1.63 117.51 123.09 2pyx h ILE 156 Ca -0.43 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 2pyx h ILE 156 Cb 1.26 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.82 2pyx h ILE 156 CO 0.62 0.06 -0.26 1.33 -3.07 0.00 0.00 178.15 176.84 2pyx n VAL 157 N -3.45 0.00 -2.48 2.19 0.24 -1.26 -4.36 118.33 109.21 2pyx n VAL 157 Ca -0.02 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 2pyx n VAL 157 Cb 0.20 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.49 2pyx n VAL 157 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pyx s THR 158 N -2.86 3.51 0.70 3.34 2.01 -0.62 -4.77 115.64 116.95 2pyx s THR 158 Ca 0.16 1.51 -0.15 0.00 0.31 0.00 0.00 61.69 63.52 2pyx s THR 158 Cb 0.19 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2pyx s THR 158 CO 0.59 0.35 1.19 0.00 -0.69 0.00 0.00 174.62 176.06 2pyx s ALA 159 N -1.18 2.22 0.11 7.40 0.00 -1.26 -4.11 121.76 124.94 2pyx s ALA 159 Ca 0.45 0.83 -0.36 0.00 0.00 0.00 0.00 51.96 52.88 2pyx s ALA 159 Cb -0.31 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.20 2pyx s ALA 159 CO 0.40 -1.70 1.35 1.04 0.00 0.00 0.00 175.76 176.85 2pyx n GLN 160 N -2.56 1.30 -0.33 0.00 6.02 -0.11 -1.68 117.38 120.02 2pyx n GLN 160 Ca 0.13 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2pyx n GLN 160 Cb 0.50 -2.11 0.00 0.00 1.02 0.00 0.00 30.24 29.65 2pyx n GLN 160 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2pyx n TYR 161 N 2.51 0.00 -2.32 1.08 4.01 -1.26 -4.98 117.16 116.20 2pyx n TYR 161 Ca 0.18 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.66 2pyx n TYR 161 Cb 0.21 -0.43 0.05 0.00 -0.31 0.00 0.00 39.34 38.86 2pyx n TYR 161 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2pyx s HIS 162 N -2.54 3.01 0.09 -0.72 3.76 -0.68 -5.01 115.29 113.21 2pyx s HIS 162 Ca 0.00 0.44 -0.20 0.00 -0.15 0.00 0.00 55.06 55.16 2pyx s HIS 162 Cb 0.00 -3.00 0.05 0.00 1.11 0.00 0.00 32.58 30.74 2pyx s HIS 162 CO 0.00 -1.16 0.47 -0.59 -0.85 0.00 0.00 174.74 172.61 2pyx s PHE 163 N -3.11 -0.34 -0.11 1.40 -0.12 -1.26 -4.78 117.98 109.66 2pyx s PHE 163 Ca 0.58 0.21 -0.04 0.00 -0.05 0.00 0.00 56.93 57.63 2pyx s PHE 163 Cb -0.11 0.33 -0.26 0.00 -0.63 0.00 0.00 43.02 42.35 2pyx s PHE 163 CO 0.44 -0.69 0.40 1.04 -0.05 0.00 0.00 175.22 176.37 2pyx n GLN 164 N 0.08 0.74 -4.34 1.99 6.02 0.15 -4.93 117.38 117.10 2pyx n GLN 164 Ca -0.17 0.27 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 2pyx n GLN 164 Cb 0.62 -1.72 -0.14 0.00 1.02 0.00 0.00 30.24 30.03 2pyx n GLN 164 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2pyx s ASN 165 N -6.91 1.34 0.52 1.08 0.01 -0.55 -5.03 114.94 105.39 2pyx s ASN 165 Ca -0.20 -0.34 -0.22 0.00 -0.71 0.00 0.00 52.86 51.38 2pyx s ASN 165 Cb 0.07 -0.10 -0.06 0.00 0.41 0.00 0.00 41.25 41.57 2pyx s ASN 165 CO 0.78 0.04 1.34 0.21 -1.51 0.00 0.00 177.10 177.96 2pyx s ASN 166 N -0.79 5.50 0.00 -1.22 3.84 -1.26 -4.74 114.94 116.27 2pyx s ASN 166 Ca 0.01 2.72 -0.15 0.00 0.21 0.00 0.00 52.86 55.66 2pyx s ASN 166 Cb -0.06 -2.63 0.02 0.00 -0.55 0.00 0.00 41.25 38.03 2pyx s ASN 166 CO 0.00 -1.41 0.32 -0.72 -2.79 0.00 0.00 177.10 172.50 2pyx s TYR 167 N -1.32 -0.17 0.00 0.43 1.13 -1.26 -4.46 117.35 111.70 2pyx s TYR 167 Ca 0.69 0.21 0.00 0.00 -1.41 0.00 0.00 57.07 56.55 2pyx s TYR 167 Cb -0.39 0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 2pyx s TYR 167 CO 0.47 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.49 2pyx n GLY 168 N 1.06 4.57 3.18 5.49 0.00 0.19 -4.10 105.19 115.59 2pyx n GLY 168 Ca -0.21 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 2pyx n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyx s TYR 169 N 2.13 1.02 -0.13 1.61 2.02 -1.26 -0.63 117.35 122.12 2pyx s TYR 169 Ca 0.00 -0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 2pyx s TYR 169 Cb 0.00 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 2pyx s TYR 169 CO 0.00 -0.03 0.07 -1.01 -1.57 0.00 0.00 175.55 173.00 2pyx s HIS 170 N -2.87 3.34 0.14 2.71 3.76 -0.14 -0.80 115.29 121.43 2pyx s HIS 170 Ca 0.08 0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 55.17 2pyx s HIS 170 Cb -0.00 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2pyx s HIS 170 CO -0.01 0.48 0.29 -0.48 -0.85 0.00 0.00 174.74 174.17 2pyx s LEU 171 N -0.58 0.94 -0.40 0.89 0.05 0.12 -1.11 118.68 118.60 2pyx s LEU 171 Ca 0.11 -0.71 -0.21 0.00 0.05 0.00 0.00 54.13 53.37 2pyx s LEU 171 Cb -0.12 1.31 0.01 0.00 -2.05 0.00 0.00 46.19 45.35 2pyx s LEU 171 CO 0.02 -0.86 0.67 0.21 -0.55 0.00 0.00 176.35 175.84 2pyx s ASN 172 N -2.91 6.40 0.28 1.48 3.84 -0.38 -1.09 114.94 122.56 2pyx s ASN 172 Ca 0.11 -0.04 -0.00 0.00 0.21 0.00 0.00 52.86 53.14 2pyx s ASN 172 Cb 0.03 -2.34 0.42 0.00 -0.55 0.00 0.00 41.25 38.81 2pyx s ASN 172 CO -0.05 -0.71 1.82 0.00 -2.79 0.00 0.00 177.10 175.37 2pyx h ALA 173 N 8.68 1.22 -0.52 1.71 0.00 -1.92 -1.63 119.26 126.79 2pyx h ALA 173 Ca -0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2pyx h ALA 173 Cb 1.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2pyx h ALA 173 CO 0.88 0.53 0.02 0.00 0.00 0.00 0.00 179.25 180.68 2pyx h ALA 174 N 1.35 0.70 -0.35 0.00 0.00 -1.96 -0.07 119.26 118.93 2pyx h ALA 174 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2pyx h ALA 174 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pyx h ALA 174 CO 0.00 0.50 -0.09 0.87 0.00 0.00 0.00 179.25 180.53 2pyx h LYS 175 N 0.78 0.59 -0.19 0.00 1.57 -1.83 -1.59 116.57 115.90 2pyx h LYS 175 Ca 0.15 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2pyx h LYS 175 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2pyx h LYS 175 CO 0.02 0.68 0.04 0.35 -0.57 0.00 0.00 179.45 179.97 2pyx h PHE 176 N 0.55 0.33 -0.94 -1.35 3.57 -0.98 -1.06 116.94 117.05 2pyx h PHE 176 Ca 0.10 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2pyx h PHE 176 Cb 0.48 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 2pyx h PHE 176 CO 0.02 0.44 0.62 1.03 -2.23 0.00 0.00 178.31 178.18 2pyx h SER 177 N 0.12 1.02 -0.42 0.41 0.87 -0.81 -0.63 113.55 114.11 2pyx h SER 177 Ca 0.06 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2pyx h SER 177 Cb 0.28 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2pyx h SER 177 CO 0.00 0.69 0.06 -0.61 -0.53 0.00 0.00 176.83 176.45 2pyx h GLN 178 N 1.17 0.70 -0.56 2.24 5.75 -1.06 -0.17 115.11 123.17 2pyx h GLN 178 Ca 0.38 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 2pyx h GLN 178 Cb 0.03 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 2pyx h GLN 178 CO -0.12 0.74 0.35 1.25 -2.65 0.00 0.00 178.83 178.40 2pyx h LEU 179 N 0.55 0.59 -0.75 -2.39 5.85 -0.62 -2.07 115.31 116.47 2pyx h LEU 179 Ca 0.13 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2pyx h LEU 179 Cb 0.38 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2pyx h LEU 179 CO 0.01 0.42 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.40 2pyx h LEU 180 N 0.71 0.87 -0.42 2.25 3.38 -0.96 -0.75 115.31 120.40 2pyx h LEU 180 Ca 0.22 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2pyx h LEU 180 Cb -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2pyx h LEU 180 CO -0.08 0.97 0.20 0.74 0.09 0.00 0.00 178.44 180.36 2pyx h THR 181 N 0.81 0.96 0.02 0.22 2.02 -0.70 0.31 112.91 116.54 2pyx h THR 181 Ca 0.14 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2pyx h THR 181 Cb 0.57 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2pyx h THR 181 CO 0.03 0.07 -0.01 -0.33 0.37 0.00 0.00 175.52 175.66 2pyx h GLU 182 N 0.41 -0.02 -0.29 6.66 5.08 -1.10 -1.94 114.58 123.38 2pyx h GLU 182 Ca 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2pyx h GLU 182 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2pyx h GLU 182 CO -0.14 0.10 0.11 1.25 -1.00 0.00 0.00 179.01 179.34 2pyx h HIS 183 N -0.14 0.44 -0.36 4.33 2.76 -0.87 -1.25 115.15 120.06 2pyx h HIS 183 Ca -0.00 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.01 2pyx h HIS 183 Cb 0.13 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2pyx h HIS 183 CO -0.04 0.43 -0.27 0.00 -1.30 0.00 0.00 177.93 176.76 2pyx h THR 185 N 0.64 1.41 0.00 0.00 1.35 -1.34 -1.74 112.91 113.22 2pyx h THR 185 Ca 0.08 -2.92 -0.10 0.00 -0.55 0.00 0.00 66.41 62.91 2pyx h THR 185 Cb 0.78 2.98 -0.02 0.00 -1.73 0.00 0.00 68.15 70.16 2pyx h THR 185 CO 0.06 0.86 -1.39 0.00 -0.25 0.00 0.00 175.52 174.81 2pyx n GLN 186 N -3.60 0.62 -0.01 4.72 1.13 -0.48 -4.00 117.38 115.78 2pyx n GLN 186 Ca -0.12 0.13 -0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2pyx n GLN 186 Cb 1.06 -1.77 -0.01 0.00 0.11 0.00 0.00 30.24 29.63 2pyx n GLN 186 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pyx n LYS 187 N -2.74 3.07 -0.18 -1.09 5.02 -0.15 -4.79 118.16 117.30 2pyx n LYS 187 Ca -0.07 -0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.28 2pyx n LYS 187 Cb 0.73 -1.03 0.16 0.00 -0.02 0.00 0.00 35.03 34.87 2pyx n LYS 187 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pyx n LEU 188 N -1.95 2.96 -0.59 -0.35 4.77 -0.99 -4.73 117.00 116.13 2pyx n LEU 188 Ca -0.02 -1.88 -0.08 0.00 -0.03 0.00 0.00 56.01 54.00 2pyx n LEU 188 Cb 0.44 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2pyx n LEU 188 CO 0.03 0.72 -0.07 0.61 -1.33 0.00 0.00 177.39 177.35 2pyx n GLY 189 N 0.69 0.95 3.72 -0.72 0.00 -0.85 -4.93 105.19 104.05 2pyx n GLY 189 Ca 0.13 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2pyx n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyx s VAL 190 N -2.18 4.20 -0.05 1.61 1.01 -0.71 -4.77 120.40 119.52 2pyx s VAL 190 Ca 0.00 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 2pyx s VAL 190 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2pyx s VAL 190 CO 0.00 0.16 0.80 -0.89 0.00 0.00 0.00 175.10 175.17 2pyx s THR 191 N 0.76 4.99 -0.17 3.92 2.01 -0.57 -4.36 115.64 122.21 2pyx s THR 191 Ca 0.55 1.66 -0.02 0.00 0.31 0.00 0.00 61.69 64.18 2pyx s THR 191 Cb -0.27 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 2pyx s THR 191 CO 0.30 0.22 -0.08 -2.28 -0.69 0.00 0.00 174.62 172.09 2pyx s HIS 192 N 0.89 2.90 -0.12 4.92 2.46 -1.26 -0.50 115.29 124.58 2pyx s HIS 192 Ca 0.42 -0.75 0.03 0.00 0.47 0.00 0.00 55.06 55.23 2pyx s HIS 192 Cb -0.19 -1.97 0.01 0.00 -0.13 0.00 0.00 32.58 30.30 2pyx s HIS 192 CO 0.21 -0.34 -0.21 0.42 -2.47 0.00 0.00 174.74 172.35 2pyx s ILE 193 N 0.85 1.94 -0.48 0.89 1.01 0.10 -4.97 121.20 120.53 2pyx s ILE 193 Ca -0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2pyx s ILE 193 Cb -0.15 -1.72 0.10 0.00 0.01 0.00 0.00 42.46 40.71 2pyx s ILE 193 CO 0.01 0.53 0.39 -0.13 0.00 0.00 0.00 174.94 175.74 2pyx s ARG 194 N 0.72 2.79 0.12 2.79 0.52 -1.26 -0.46 118.95 124.18 2pyx s ARG 194 Ca -0.10 -1.59 -0.26 0.00 -0.52 0.00 0.00 55.73 53.26 2pyx s ARG 194 Cb -0.16 -4.07 0.07 0.00 0.52 0.00 0.00 34.95 31.31 2pyx s ARG 194 CO 0.01 -1.15 1.02 0.34 0.02 0.00 0.00 175.30 175.53 2pyx s ASP 195 N 2.86 -0.16 0.20 0.23 -1.08 -0.13 -4.77 116.67 113.83 2pyx s ASP 195 Ca 0.04 -0.35 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 2pyx s ASP 195 Cb -0.26 0.43 -0.05 0.00 -1.46 0.00 0.00 42.92 41.58 2pyx s ASP 195 CO 0.03 -0.80 0.43 -1.00 0.52 0.00 0.00 175.17 174.35 2pyx s HIS 196 N -3.14 3.48 -0.28 -5.34 3.76 -1.26 -3.86 115.29 108.65 2pyx s HIS 196 Ca 0.12 0.48 -0.13 0.00 -0.15 0.00 0.00 55.06 55.39 2pyx s HIS 196 Cb -0.00 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 2pyx s HIS 196 CO 0.01 0.35 0.27 0.08 -0.85 0.00 0.00 174.74 174.59 2pyx s VAL 197 N -1.86 5.25 -0.12 -0.90 1.01 -1.26 -1.16 120.40 121.37 2pyx s VAL 197 Ca 0.41 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 2pyx s VAL 197 Cb -0.11 -3.61 -0.25 0.00 0.00 0.00 0.00 36.38 32.41 2pyx s VAL 197 CO 0.28 0.20 0.37 -1.20 0.00 0.00 0.00 175.10 174.74 2pyx n SER 198 N 5.17 1.77 -4.00 3.32 7.64 0.86 -4.91 113.62 123.47 2pyx n SER 198 Ca -0.12 0.22 -0.11 0.00 1.01 0.00 0.00 58.87 59.87 2pyx n SER 198 Cb 0.51 -0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 2pyx n SER 198 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2pyx s GLN 199 N -2.56 0.36 -0.21 1.43 -0.21 -0.85 -4.99 119.66 112.63 2pyx s GLN 199 Ca -0.19 -0.57 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 2pyx s GLN 199 Cb 0.07 -0.08 -0.00 0.00 1.00 0.00 0.00 33.01 34.00 2pyx s GLN 199 CO 0.77 0.00 -0.08 0.42 -2.12 0.00 0.00 175.29 174.28 2pyx s ILE 200 N -1.20 3.11 -0.16 1.08 1.01 -1.26 -1.03 121.20 122.74 2pyx s ILE 200 Ca -0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2pyx s ILE 200 Cb -0.08 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2pyx s ILE 200 CO -0.00 0.45 -0.01 -0.63 0.00 0.00 0.00 174.94 174.74 2pyx s ILE 201 N 1.41 4.11 0.23 2.92 -1.09 -0.28 -5.03 121.20 123.46 2pyx s ILE 201 Ca 0.05 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2pyx s ILE 201 Cb -0.14 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 2pyx s ILE 201 CO -0.05 0.48 0.41 0.20 -1.23 0.00 0.00 174.94 174.75 2pyx s ASN 202 N 0.39 6.37 0.90 3.58 0.01 -1.26 0.26 114.94 125.19 2pyx s ASN 202 Ca -0.02 0.37 -0.10 0.00 -0.71 0.00 0.00 52.86 52.40 2pyx s ASN 202 Cb -0.14 -2.00 0.18 0.00 0.41 0.00 0.00 41.25 39.71 2pyx s ASN 202 CO 0.02 -0.08 1.11 -0.46 -1.51 0.00 0.00 177.10 176.18 2pyx n ASN 203 N -0.90 0.47 0.32 -1.22 0.23 0.23 -4.73 115.26 109.66 2pyx n ASN 203 Ca -0.05 -1.64 0.20 0.00 -0.53 0.00 0.00 54.58 52.56 2pyx n ASN 203 Cb 0.54 -0.81 1.07 0.00 -2.08 0.00 0.00 39.78 38.50 2pyx n ASN 203 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2pyx h GLN 204 N 0.00 0.00 -0.02 -3.83 -0.00 -2.00 -2.24 115.11 107.02 2pyx h GLN 204 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 2pyx h GLN 204 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 2pyx h GLN 204 CO 0.29 0.01 -0.08 0.72 -0.00 0.00 0.00 178.83 179.77 2pyx n HIS 205 N -3.22 0.00 -0.28 0.06 8.25 -1.26 -4.95 115.22 113.82 2pyx n HIS 205 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2pyx n HIS 205 Cb 0.12 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2pyx n HIS 205 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pyx n GLY 206 N 1.29 0.66 3.79 -1.41 0.00 -0.84 -5.07 105.19 103.62 2pyx n GLY 206 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2pyx n GLY 206 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pyx s ASP 207 N -2.90 5.70 0.13 1.61 1.01 -1.26 -4.85 116.67 116.11 2pyx s ASP 207 Ca 0.00 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.84 2pyx s ASP 207 Cb 0.00 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.32 2pyx s ASP 207 CO 0.00 -1.23 1.17 -0.63 0.21 0.00 0.00 175.17 174.70 2pyx s ILE 208 N -2.34 3.86 -0.16 0.77 1.01 -1.26 -0.60 121.20 122.47 2pyx s ILE 208 Ca 0.65 1.46 -0.00 0.00 0.00 0.00 0.00 60.65 62.76 2pyx s ILE 208 Cb -0.17 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 2pyx s ILE 208 CO 0.36 0.19 -0.16 1.21 0.00 0.00 0.00 174.94 176.54 2pyx n GLU 209 N 3.10 0.40 -3.46 2.79 2.13 0.14 -4.76 120.64 120.98 2pyx n GLU 209 Ca 0.06 0.10 -0.10 0.00 0.66 0.00 0.00 57.16 57.88 2pyx n GLU 209 Cb 0.46 -1.29 -0.02 0.00 0.27 0.00 0.00 31.44 30.86 2pyx n GLU 209 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2pyx s LYS 210 N -2.32 1.11 -0.07 5.31 -2.85 -1.07 -2.48 119.74 117.36 2pyx s LYS 210 Ca -0.22 -0.41 0.02 0.00 -1.00 0.00 0.00 55.97 54.36 2pyx s LYS 210 Cb 0.06 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.32 2pyx s LYS 210 CO 0.36 -0.49 -0.14 -0.51 0.10 0.00 0.00 175.35 174.68 2pyx s LEU 211 N -2.65 2.72 -0.34 2.77 1.43 0.35 -1.12 118.68 121.84 2pyx s LEU 211 Ca 0.03 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2pyx s LEU 211 Cb -0.01 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2pyx s LEU 211 CO -0.11 0.29 0.21 -0.63 0.23 0.00 0.00 176.35 176.33 2pyx s ILE 212 N -0.38 4.87 0.61 -0.59 1.01 -0.20 -0.40 121.20 126.11 2pyx s ILE 212 Ca 0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2pyx s ILE 212 Cb -0.12 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2pyx s ILE 212 CO 0.02 -0.07 0.94 0.42 0.00 0.00 0.00 174.94 176.26 2pyx s THR 213 N 1.64 3.89 0.18 2.92 -4.23 -0.40 -0.10 115.64 119.54 2pyx s THR 213 Ca 0.04 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 2pyx s THR 213 Cb -0.18 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2pyx s THR 213 CO 0.08 -0.62 1.54 0.50 -0.54 0.00 0.00 174.62 175.57 2pyx h LYS 214 N -0.25 0.76 0.00 3.99 3.64 -1.44 -3.40 116.57 119.88 2pyx h LYS 214 Ca -0.45 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.54 2pyx h LYS 214 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2pyx h LYS 214 CO 0.62 1.01 -0.15 0.00 -2.27 0.00 0.00 179.45 178.66 2pyx n GLN 215 N -4.05 0.00 -0.08 1.90 10.64 -1.26 -4.85 117.38 119.68 2pyx n GLN 215 Ca -0.02 -0.64 0.09 0.00 -1.83 0.00 0.00 57.00 54.60 2pyx n GLN 215 Cb 0.53 -0.49 0.13 0.00 -0.86 0.00 0.00 30.24 29.54 2pyx n GLN 215 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2pyx n ASN 216 N 0.00 2.22 0.00 2.61 3.02 -1.26 -5.11 115.26 116.74 2pyx n ASN 216 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 2pyx n ASN 216 Cb 0.56 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2pyx n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyx n GLY 217 N -1.32 -0.04 3.74 7.41 0.00 -1.26 -4.76 105.19 108.96 2pyx n GLY 217 Ca 0.14 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 2pyx n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyx s GLU 218 N 0.00 4.28 -0.26 1.61 2.02 -1.26 -1.28 118.70 123.81 2pyx s GLU 218 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.50 2pyx s GLU 218 Cb 0.00 -3.39 0.05 0.00 0.10 0.00 0.00 34.13 30.88 2pyx s GLU 218 CO 0.00 0.27 -0.07 0.42 0.02 0.00 0.00 175.26 175.89 2pyx s ILE 219 N 0.25 2.59 0.08 -1.63 -1.09 0.46 -4.97 121.20 116.90 2pyx s ILE 219 Ca 0.27 -1.35 -0.05 0.00 -2.23 0.00 0.00 60.65 57.29 2pyx s ILE 219 Cb -0.16 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 2pyx s ILE 219 CO 0.12 0.05 0.33 -0.44 -1.23 0.00 0.00 174.94 173.77 2pyx s SER 220 N 1.22 6.49 0.35 3.58 0.01 -1.26 -0.49 113.70 123.60 2pyx s SER 220 Ca -0.04 0.56 -0.17 0.00 1.31 0.00 0.00 55.95 57.61 2pyx s SER 220 Cb -0.19 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.01 2pyx s SER 220 CO -0.04 0.14 0.77 -0.83 0.41 0.00 0.00 173.24 173.69 2pyx s GLY 221 N -2.14 0.23 -0.04 3.44 0.00 -1.03 -4.90 107.32 102.87 2pyx s GLY 221 Ca 0.35 -0.62 0.08 0.00 0.00 0.00 0.00 44.72 44.54 2pyx s GLY 221 CO 0.22 -0.24 0.13 -1.06 0.00 0.00 0.00 173.10 172.15 2pyx n GLN 222 N -0.51 1.21 -3.74 2.90 6.02 0.51 -4.65 117.38 119.11 2pyx n GLN 222 Ca -0.07 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 2pyx n GLN 222 Cb 0.60 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.50 2pyx n GLN 222 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pyx s LEU 223 N -4.01 0.72 -0.11 1.08 2.96 -1.09 -4.87 118.68 113.36 2pyx s LEU 223 Ca -0.04 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2pyx s LEU 223 Cb 0.04 0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.98 2pyx s LEU 223 CO 0.36 -0.15 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.70 2pyx s PHE 224 N 1.26 2.70 -0.23 5.38 0.40 -0.10 -1.39 117.98 126.00 2pyx s PHE 224 Ca -0.08 -0.77 -0.06 0.00 -0.60 0.00 0.00 56.93 55.42 2pyx s PHE 224 Cb -0.12 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2pyx s PHE 224 CO -0.05 -0.27 0.03 0.42 0.70 0.00 0.00 175.22 176.05 2pyx s ILE 225 N 0.28 4.00 -0.56 0.64 -1.09 0.69 -1.43 121.20 123.73 2pyx s ILE 225 Ca -0.13 -0.28 -0.23 0.00 -2.23 0.00 0.00 60.65 57.78 2pyx s ILE 225 Cb -0.16 -2.85 0.05 0.00 -1.58 0.00 0.00 42.46 37.92 2pyx s ILE 225 CO 0.07 0.38 0.89 -0.62 -1.23 0.00 0.00 174.94 174.43 2pyx s ASP 226 N 1.45 6.29 -0.29 3.58 -1.08 0.81 -0.70 116.67 126.74 2pyx s ASP 226 Ca 0.05 -0.56 0.09 0.00 -0.52 0.00 0.00 52.55 51.61 2pyx s ASP 226 Cb -0.15 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.38 2pyx s ASP 226 CO 0.01 -1.21 1.37 0.00 0.52 0.00 0.00 175.17 175.87 2pyx n THR 228 N -1.05 0.07 -4.01 0.00 -2.24 -1.10 -4.39 114.28 101.56 2pyx n THR 228 Ca 0.32 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2pyx n THR 228 Cb 0.91 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2pyx n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pyx n GLY 229 N 0.85 -1.63 0.32 3.38 0.00 -1.26 -4.30 105.19 102.54 2pyx n GLY 229 Ca 0.13 -1.33 0.15 0.00 0.00 0.00 0.00 46.02 44.96 2pyx n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyx h ALA 230 N -0.01 1.87 0.00 4.61 0.00 -1.95 0.68 119.26 124.46 2pyx h ALA 230 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pyx h ALA 230 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pyx h ALA 230 CO 0.00 -0.21 -0.04 1.57 0.00 0.00 0.00 179.25 180.57 2pyx h LYS 231 N 0.00 0.00 -6.58 0.00 5.09 -1.95 -3.46 116.57 109.66 2pyx h LYS 231 Ca 0.07 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 60.29 2pyx h LYS 231 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 2pyx h LYS 231 CO -0.00 0.04 -0.96 0.45 -2.09 0.00 0.00 179.45 176.89 2pyx n SER 232 N -3.38 -3.53 0.20 7.07 2.88 0.19 -4.61 113.62 112.45 2pyx n SER 232 Ca -0.02 -1.13 0.04 0.00 -1.33 0.00 0.00 58.87 56.42 2pyx n SER 232 Cb 0.16 -2.61 0.43 0.00 -0.75 0.00 0.00 64.21 61.44 2pyx n SER 232 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2pyx h LEU 233 N -2.13 0.02 0.00 2.46 3.38 -1.88 0.75 115.31 117.91 2pyx h LEU 233 Ca -0.68 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.10 2pyx h LEU 233 Cb 1.38 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2pyx h LEU 233 CO 0.54 0.28 -1.39 0.18 0.09 0.00 0.00 178.44 178.14 2pyx n LEU 234 N -4.22 1.89 -0.02 1.67 4.32 -1.26 -1.51 117.00 117.88 2pyx n LEU 234 Ca -0.02 0.43 -0.10 0.00 -0.02 0.00 0.00 56.01 56.29 2pyx n LEU 234 Cb 0.32 -0.85 -0.08 0.00 -1.62 0.00 0.00 43.42 41.18 2pyx n LEU 234 CO 0.38 0.06 0.35 0.25 -1.22 0.00 0.00 177.39 177.20 2pyx h LEU 235 N -1.00 -0.07 -0.02 2.23 5.85 -1.92 -0.50 115.31 119.88 2pyx h LEU 235 Ca -0.29 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 57.87 2pyx h LEU 235 Cb 1.14 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2pyx h LEU 235 CO -0.17 0.63 -0.06 1.23 -0.34 0.00 0.00 178.44 179.73 2pyx h GLY 236 N -0.91 0.08 0.00 3.75 0.00 -1.59 -2.07 103.07 102.34 2pyx h GLY 236 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2pyx h GLY 236 CO 0.01 0.09 -0.11 0.83 0.00 0.00 0.00 176.54 177.37 2pyx h GLU 237 N -0.50 0.00 -0.57 4.80 4.39 -1.01 -2.56 114.58 119.13 2pyx h GLU 237 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pyx h GLU 237 Cb 0.67 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2pyx h GLU 237 CO 0.01 0.00 0.34 1.25 -1.16 0.00 0.00 179.01 179.45 2pyx h HIS 238 N -0.61 0.74 -0.02 4.33 2.76 -1.12 -2.97 115.15 118.27 2pyx h HIS 238 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2pyx h HIS 238 Cb 0.11 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2pyx h HIS 238 CO -0.05 0.51 -0.15 1.28 -1.30 0.00 0.00 177.93 178.22 2pyx n LEU 239 N -4.65 2.28 -3.09 0.26 4.77 -0.21 -4.99 117.00 111.37 2pyx n LEU 239 Ca 0.03 -0.77 -0.23 0.00 -0.03 0.00 0.00 56.01 55.01 2pyx n LEU 239 Cb 0.05 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2pyx n LEU 239 CO 0.36 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 176.82 2pyx n GLN 240 N 0.58 -4.84 -2.37 3.23 1.13 -0.97 -4.94 117.38 109.21 2pyx n GLN 240 Ca 0.13 0.85 -0.42 0.00 -1.94 0.00 0.00 57.00 55.62 2pyx n GLN 240 Cb 0.50 -5.71 -0.03 0.00 0.11 0.00 0.00 30.24 25.11 2pyx n GLN 240 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2pyx s VAL 241 N -3.16 4.07 0.62 5.09 1.01 -0.80 -4.97 120.40 122.26 2pyx s VAL 241 Ca 0.33 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.54 2pyx s VAL 241 Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2pyx s VAL 241 CO 0.41 -0.01 1.18 -2.84 0.00 0.00 0.00 175.10 173.84 2pyx s PRO 242 N 2.37 2.84 -0.17 2.72 0.02 -1.26 -4.54 135.00 136.98 2pyx s PRO 242 Ca 0.59 1.73 -0.09 0.00 0.02 0.00 0.00 61.00 63.24 2pyx s PRO 242 Cb -0.27 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 2pyx s PRO 242 CO 0.23 -1.29 0.14 0.12 -0.33 0.00 0.00 177.00 175.88 2pyx s PHE 243 N -1.79 3.47 -0.60 6.54 5.36 -1.26 -0.61 117.98 129.09 2pyx s PHE 243 Ca 0.75 0.41 -0.09 0.00 -0.96 0.00 0.00 56.93 57.04 2pyx s PHE 243 Cb -0.28 -2.10 0.15 0.00 -0.34 0.00 0.00 43.02 40.46 2pyx s PHE 243 CO 0.36 0.43 0.48 -0.51 -1.46 0.00 0.00 175.22 174.51 2pyx s LEU 244 N -0.08 5.85 0.30 6.12 1.43 0.10 -4.93 118.68 127.48 2pyx s LEU 244 Ca 0.11 -2.35 -0.29 0.00 -1.03 0.00 0.00 54.13 50.56 2pyx s LEU 244 Cb -0.11 -2.02 -0.11 0.00 0.03 0.00 0.00 46.19 43.98 2pyx s LEU 244 CO 0.00 -0.58 1.46 -0.55 0.23 0.00 0.00 176.35 176.91 2pyx s SER 245 N 2.06 6.54 -0.10 2.29 0.15 -1.26 -2.17 113.70 121.20 2pyx s SER 245 Ca 0.12 2.82 0.13 0.00 0.70 0.00 0.00 55.95 59.72 2pyx s SER 245 Cb -0.21 -2.64 0.31 0.00 -1.71 0.00 0.00 66.02 61.78 2pyx s SER 245 CO -0.03 -0.76 1.22 0.00 1.20 0.00 0.00 173.24 174.87 2pyx n GLN 246 N 1.60 2.37 0.23 5.44 1.13 0.77 -4.69 117.38 124.23 2pyx n GLN 246 Ca 0.05 -2.38 0.08 0.00 -1.94 0.00 0.00 57.00 52.80 2pyx n GLN 246 Cb 0.40 -1.48 0.53 0.00 0.11 0.00 0.00 30.24 29.80 2pyx n GLN 246 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2pyx h LYS 247 N 0.89 0.00 0.00 -1.09 3.64 -1.91 -1.59 116.57 116.51 2pyx h LYS 247 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pyx h LYS 247 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2pyx h LYS 247 CO 0.07 0.23 0.00 -1.13 -2.27 0.00 0.00 179.45 176.35 2pyx n SER 248 N -3.89 0.36 -0.12 4.20 3.41 -1.26 -0.28 113.62 116.04 2pyx n SER 248 Ca -0.02 0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 58.94 2pyx n SER 248 Cb 0.32 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 2pyx n SER 248 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pyx n VAL 249 N -1.88 1.52 0.02 -3.33 0.31 -0.68 -4.33 118.33 109.96 2pyx n VAL 249 Ca 0.03 -0.17 0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2pyx n VAL 249 Cb 0.23 -2.02 -0.11 0.00 -0.91 0.00 0.00 33.84 31.03 2pyx n VAL 249 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2pyx n LEU 250 N -4.36 0.37 0.00 7.52 4.77 -0.75 -4.89 117.00 119.66 2pyx n LEU 250 Ca -0.39 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2pyx n LEU 250 Cb 0.73 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2pyx n LEU 250 CO 0.11 0.04 0.00 0.49 -1.33 0.00 0.00 177.39 176.69 2pyx n PHE 251 N -2.54 0.00 -1.98 -1.77 3.72 0.61 -4.94 117.46 110.58 2pyx n PHE 251 Ca -0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 2pyx n PHE 251 Cb 0.68 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 2pyx n PHE 251 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2pyx s ASN 252 N 0.00 6.63 0.00 4.37 0.01 -1.26 -4.59 114.94 120.10 2pyx s ASN 252 Ca 0.00 2.59 0.00 0.00 -0.71 0.00 0.00 52.86 54.74 2pyx s ASN 252 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2pyx s ASN 252 CO 0.00 -0.78 0.85 -0.90 -1.51 0.00 0.00 177.10 174.75 2pyx n ASP 253 N 3.71 0.00 -4.03 -1.22 5.68 -0.63 -4.63 116.55 115.43 2pyx n ASP 253 Ca 0.12 -1.72 -0.08 0.00 -0.50 0.00 0.00 54.79 52.61 2pyx n ASP 253 Cb 0.39 -0.14 -0.11 0.00 -1.14 0.00 0.00 41.12 40.12 2pyx n ASP 253 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pyx s ARG 254 N 0.00 0.43 -0.07 0.11 1.81 -0.72 -1.63 118.95 118.88 2pyx s ARG 254 Ca 0.00 -0.86 -0.06 0.00 -1.72 0.00 0.00 55.73 53.09 2pyx s ARG 254 Cb 0.00 0.15 0.02 0.00 -0.45 0.00 0.00 34.95 34.67 2pyx s ARG 254 CO 0.00 -0.07 0.17 0.00 -0.68 0.00 0.00 175.30 174.72 2pyx s ALA 255 N -2.47 -0.42 -0.22 2.13 0.00 -0.40 -1.75 121.76 118.62 2pyx s ALA 255 Ca -0.07 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2pyx s ALA 255 Cb -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.83 2pyx s ALA 255 CO -0.05 -0.09 -0.12 -1.17 0.00 0.00 0.00 175.76 174.33 2pyx s LEU 256 N 0.20 2.61 0.12 0.00 2.96 0.06 -0.85 118.68 123.78 2pyx s LEU 256 Ca -0.01 -1.01 0.10 0.00 -0.22 0.00 0.00 54.13 52.99 2pyx s LEU 256 Cb -0.02 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2pyx s LEU 256 CO -0.00 -0.14 -0.24 0.00 -1.32 0.00 0.00 176.35 174.64 2pyx s ALA 257 N 1.29 2.13 -0.11 5.97 0.00 -0.32 -0.76 121.76 129.96 2pyx s ALA 257 Ca -0.03 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 2pyx s ALA 257 Cb -0.17 -0.33 0.07 0.00 0.00 0.00 0.00 23.12 22.70 2pyx s ALA 257 CO -0.08 0.46 0.70 -1.50 0.00 0.00 0.00 175.76 175.35 2pyx s ILE 258 N -1.10 0.00 0.21 0.00 2.07 0.14 -0.77 121.20 121.75 2pyx s ILE 258 Ca 0.11 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.24 2pyx s ILE 258 Cb -0.10 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.42 2pyx s ILE 258 CO 0.05 0.00 0.55 0.00 -1.91 0.00 0.00 174.94 173.63 2pyx s GLN 259 N -0.77 3.84 -0.15 3.50 -2.07 -1.26 -1.08 119.66 121.67 2pyx s GLN 259 Ca -0.08 0.32 -0.02 0.00 -1.82 0.00 0.00 55.36 53.77 2pyx s GLN 259 Cb -0.01 -2.72 0.05 0.00 -1.09 0.00 0.00 33.01 29.23 2pyx s GLN 259 CO 0.07 0.36 0.00 0.08 -1.32 0.00 0.00 175.29 174.48 2pyx s VAL 260 N -1.73 0.65 0.65 3.63 1.01 0.39 -4.95 120.40 120.05 2pyx s VAL 260 Ca 0.45 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 2pyx s VAL 260 Cb -0.12 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 2pyx s VAL 260 CO 0.21 0.03 1.13 -2.16 0.00 0.00 0.00 175.10 174.31 2pyx s PRO 261 N 1.83 2.77 0.69 2.72 0.04 -1.26 -0.27 135.00 141.50 2pyx s PRO 261 Ca 0.01 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 2pyx s PRO 261 Cb -0.15 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2pyx s PRO 261 CO -0.07 -1.30 1.11 0.71 0.04 0.00 0.00 177.00 177.49 2pyx s TYR 262 N -2.16 2.61 0.23 0.56 2.02 -1.26 -4.79 117.35 114.56 2pyx s TYR 262 Ca 0.70 1.55 -0.00 0.00 -0.37 0.00 0.00 57.07 58.94 2pyx s TYR 262 Cb -0.23 -3.14 0.25 0.00 -0.40 0.00 0.00 41.96 38.44 2pyx s TYR 262 CO 0.40 -1.71 1.60 0.66 -1.57 0.00 0.00 175.55 174.93 2pyx h SER 263 N -0.24 0.54 -3.70 2.29 4.64 -1.99 -3.45 113.55 111.65 2pyx h SER 263 Ca -0.46 -0.24 -0.46 0.00 -0.47 0.00 0.00 61.79 60.15 2pyx h SER 263 Cb 1.24 -0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 63.01 2pyx h SER 263 CO 0.53 0.89 -0.76 -1.81 -0.87 0.00 0.00 176.83 174.81 2pyx s ASP 264 N -6.86 2.38 0.61 4.97 1.01 -1.26 -5.04 116.67 112.48 2pyx s ASP 264 Ca -0.07 -0.87 0.37 0.00 0.71 0.00 0.00 52.55 52.69 2pyx s ASP 264 Cb 0.12 -0.12 1.99 0.00 1.01 0.00 0.00 42.92 45.93 2pyx s ASP 264 CO 0.82 -0.11 2.25 0.00 0.21 0.00 0.00 175.17 178.34 2pyx h ALA 265 N 3.23 1.18 0.00 5.23 0.00 -2.00 -2.55 119.26 124.35 2pyx h ALA 265 Ca -0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2pyx h ALA 265 Cb 1.20 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2pyx h ALA 265 CO 0.53 0.03 -0.55 0.27 0.00 0.00 0.00 179.25 179.53 2pyx n ASN 266 N -3.37 1.61 -4.63 0.00 0.23 -1.26 -5.07 115.26 102.77 2pyx n ASN 266 Ca -0.02 -3.47 -0.39 0.00 -0.53 0.00 0.00 54.58 50.16 2pyx n ASN 266 Cb 0.13 -0.47 0.03 0.00 -2.08 0.00 0.00 39.78 37.39 2pyx n ASN 266 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2pyx n SER 267 N -0.84 1.24 -4.76 0.53 7.64 -0.96 -4.90 113.62 111.57 2pyx n SER 267 Ca 0.16 0.93 -0.38 0.00 1.01 0.00 0.00 58.87 60.58 2pyx n SER 267 Cb 0.77 -1.40 0.01 0.00 -1.01 0.00 0.00 64.21 62.58 2pyx n SER 267 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2pyx s PRO 268 N -2.45 3.56 -0.20 1.43 0.02 -1.26 -4.96 135.00 131.14 2pyx s PRO 268 Ca 0.69 2.13 -0.10 0.00 0.02 0.00 0.00 61.00 63.75 2pyx s PRO 268 Cb -0.47 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 2pyx s PRO 268 CO 0.52 -0.82 0.13 0.42 -0.33 0.00 0.00 177.00 176.92 2pyx s ILE 269 N -1.34 5.36 0.49 2.83 1.01 -1.26 -5.07 121.20 123.22 2pyx s ILE 269 Ca 0.65 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 2pyx s ILE 269 Cb -0.37 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 2pyx s ILE 269 CO 0.46 0.44 1.17 0.00 0.00 0.00 0.00 174.94 177.01 2pyx s ALA 270 N 0.40 2.87 -0.51 9.38 0.00 -1.26 -4.63 121.76 128.01 2pyx s ALA 270 Ca 0.08 0.94 0.24 0.00 0.00 0.00 0.00 51.96 53.21 2pyx s ALA 270 Cb -0.11 -3.39 0.44 0.00 0.00 0.00 0.00 23.12 20.05 2pyx s ALA 270 CO -0.01 -0.76 1.59 0.77 0.00 0.00 0.00 175.76 177.35 2pyx h SER 271 N 1.75 0.00 -3.81 0.00 0.02 -1.84 -3.46 113.55 106.21 2pyx h SER 271 Ca -0.50 -0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.09 2pyx h SER 271 Cb 1.26 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.65 2pyx h SER 271 CO 0.59 0.01 -0.71 0.00 -1.14 0.00 0.00 176.83 175.57 2pyx s THR 273 N -3.27 2.62 -0.09 0.00 2.01 -0.69 -4.76 115.64 111.46 2pyx s THR 273 Ca 0.19 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.74 2pyx s THR 273 Cb 0.02 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2pyx s THR 273 CO 0.03 0.12 0.06 -1.00 -0.69 0.00 0.00 174.62 173.14 2pyx s HIS 274 N -0.76 3.31 -0.19 4.92 3.76 -0.72 -0.37 115.29 125.25 2pyx s HIS 274 Ca 0.53 0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.72 2pyx s HIS 274 Cb -0.41 -1.83 0.06 0.00 1.11 0.00 0.00 32.58 31.51 2pyx s HIS 274 CO 0.51 0.57 0.00 0.45 -0.85 0.00 0.00 174.74 175.42 2pyx s SER 275 N -1.05 3.03 -0.24 1.40 0.15 -0.11 -1.01 113.70 115.87 2pyx s SER 275 Ca 0.15 -0.84 -0.02 0.00 0.70 0.00 0.00 55.95 55.94 2pyx s SER 275 Cb -0.12 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 2pyx s SER 275 CO 0.04 -0.27 -0.06 -0.89 1.20 0.00 0.00 173.24 173.26 2pyx s THR 276 N 1.74 2.95 0.43 6.45 2.01 -0.16 -0.94 115.64 128.12 2pyx s THR 276 Ca -0.01 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 60.83 2pyx s THR 276 Cb -0.17 -2.45 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 2pyx s THR 276 CO -0.07 0.26 1.29 0.00 -0.69 0.00 0.00 174.62 175.40 2pyx s ALA 277 N 1.36 3.17 0.41 7.40 0.00 -0.47 -0.80 121.76 132.83 2pyx s ALA 277 Ca 0.02 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.21 2pyx s ALA 277 Cb -0.16 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2pyx s ALA 277 CO -0.05 -0.86 0.08 -0.65 0.00 0.00 0.00 175.76 174.29 2pyx s GLN 278 N -2.38 1.92 0.49 0.00 -1.52 0.22 -4.87 119.66 113.52 2pyx s GLN 278 Ca 0.59 -2.15 0.18 0.00 -1.95 0.00 0.00 55.36 52.02 2pyx s GLN 278 Cb -0.37 -0.92 1.22 0.00 -0.22 0.00 0.00 33.01 32.72 2pyx s GLN 278 CO 0.47 -0.36 2.06 -1.35 -0.25 0.00 0.00 175.29 175.86 2pyx h PRO 279 N 1.78 0.14 0.00 2.91 0.11 -2.00 -3.24 132.00 131.70 2pyx h PRO 279 Ca -0.39 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 2pyx h PRO 279 Cb 1.27 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 2pyx h PRO 279 CO 0.65 0.09 -0.64 0.09 -0.21 0.00 0.00 178.00 177.98 2pyx n ASN 280 N -4.47 1.13 0.00 -2.05 3.02 -1.26 -4.51 115.26 107.11 2pyx n ASN 280 Ca 0.04 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 2pyx n ASN 280 Cb 0.30 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2pyx n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyx n GLY 281 N -0.27 -0.50 3.35 7.41 0.00 -1.22 -2.49 105.19 111.47 2pyx n GLY 281 Ca 0.09 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2pyx n GLY 281 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2pyx s TRP 282 N -4.00 -0.33 -0.19 1.61 1.48 -0.35 -0.61 118.94 116.55 2pyx s TRP 282 Ca 0.00 0.32 -0.03 0.00 -1.06 0.00 0.00 56.10 55.32 2pyx s TRP 282 Cb 0.00 0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 32.57 2pyx s TRP 282 CO 0.00 -0.61 -0.05 0.42 -4.06 0.00 0.00 176.95 172.66 2pyx s ILE 283 N -2.51 3.56 0.35 0.66 1.01 0.02 -0.63 121.20 123.66 2pyx s ILE 283 Ca -0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2pyx s ILE 283 Cb -0.01 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 2pyx s ILE 283 CO -0.02 0.46 0.71 -1.66 0.00 0.00 0.00 174.94 174.42 2pyx s TRP 284 N 0.94 3.44 -0.23 3.97 -2.14 0.57 -0.99 118.94 124.50 2pyx s TRP 284 Ca -0.00 1.01 -0.03 0.00 2.66 0.00 0.00 56.10 59.74 2pyx s TRP 284 Cb -0.15 -2.40 0.12 0.00 -3.10 0.00 0.00 33.47 27.95 2pyx s TRP 284 CO 0.01 0.01 0.32 0.34 -2.66 0.00 0.00 176.95 174.97 2pyx s ASP 285 N -2.89 0.74 -0.21 -2.66 -1.08 -0.18 -2.20 116.67 108.19 2pyx s ASP 285 Ca 0.50 -0.02 -0.02 0.00 -0.52 0.00 0.00 52.55 52.49 2pyx s ASP 285 Cb -0.10 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.18 2pyx s ASP 285 CO 0.27 -0.32 -0.09 -0.63 0.52 0.00 0.00 175.17 174.92 2pyx s ILE 286 N 2.46 2.91 -0.36 4.11 1.01 0.41 -1.75 121.20 130.00 2pyx s ILE 286 Ca 0.10 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 2pyx s ILE 286 Cb -0.15 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 2pyx s ILE 286 CO -0.16 0.43 0.48 -0.83 0.00 0.00 0.00 174.94 174.86 2pyx s GLY 287 N 1.40 1.84 0.38 6.18 0.00 -1.26 -0.70 107.32 115.16 2pyx s GLY 287 Ca 0.05 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 43.75 2pyx s GLY 287 CO -0.06 1.21 0.51 1.08 0.00 0.00 0.00 173.10 175.84 2pyx s LEU 288 N 2.31 3.78 0.31 0.66 1.43 -0.27 -4.66 118.68 122.25 2pyx s LEU 288 Ca 0.17 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2pyx s LEU 288 Cb -0.16 -2.67 0.49 0.00 0.03 0.00 0.00 46.19 43.88 2pyx s LEU 288 CO 0.13 -0.61 1.95 -0.65 0.23 0.00 0.00 176.35 177.40 2pyx h PRO 289 N 0.77 0.96 0.00 1.29 0.11 -1.81 -3.24 132.00 130.08 2pyx h PRO 289 Ca -0.43 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2pyx h PRO 289 Cb 1.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2pyx h PRO 289 CO 0.49 0.68 -1.15 1.79 -0.21 0.00 0.00 178.00 179.60 2pyx h THR 290 N 0.97 0.20 -1.96 -1.15 1.35 -1.96 -3.50 112.91 106.86 2pyx h THR 290 Ca 0.25 -1.40 0.33 0.00 -0.55 0.00 0.00 66.41 65.04 2pyx h THR 290 Cb -0.02 1.72 -0.08 0.00 -1.73 0.00 0.00 68.15 68.04 2pyx h THR 290 CO -0.05 0.11 0.87 0.00 -0.25 0.00 0.00 175.52 176.20 2pyx s ARG 291 N -3.19 0.44 0.13 4.72 1.70 -1.22 -4.45 118.95 117.07 2pyx s ARG 291 Ca -0.01 -0.28 0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2pyx s ARG 291 Cb 0.09 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2pyx s ARG 291 CO 0.80 -0.21 -0.02 0.15 -1.08 0.00 0.00 175.30 174.94 2pyx s LYS 292 N -2.13 2.41 -0.16 3.89 1.02 0.62 -1.11 119.74 124.28 2pyx s LYS 292 Ca 0.25 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 2pyx s LYS 292 Cb 0.01 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2pyx s LYS 292 CO -0.01 0.50 -0.02 0.20 -0.92 0.00 0.00 175.35 175.09 2pyx s GLY 293 N -2.53 1.74 -0.00 -3.33 0.00 0.13 -0.46 107.32 102.86 2pyx s GLY 293 Ca 0.25 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 44.21 2pyx s GLY 293 CO 0.18 -0.06 -0.13 0.14 0.00 0.00 0.00 173.10 173.23 2pyx s VAL 294 N 0.35 0.99 -0.10 1.40 1.01 -0.24 -0.45 120.40 123.36 2pyx s VAL 294 Ca -0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2pyx s VAL 294 Cb -0.14 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.45 2pyx s VAL 294 CO 0.03 0.25 0.45 -0.83 0.00 0.00 0.00 175.10 174.99 2pyx s GLY 295 N -0.38 -0.32 -0.31 4.51 0.00 -0.93 -0.68 107.32 109.21 2pyx s GLY 295 Ca 0.04 0.97 -0.10 0.00 0.00 0.00 0.00 44.72 45.63 2pyx s GLY 295 CO -0.00 0.75 0.17 -0.47 0.00 0.00 0.00 173.10 173.55 2pyx s TYR 296 N -0.56 3.19 -0.17 1.90 5.04 0.06 -0.31 117.35 126.50 2pyx s TYR 296 Ca -0.07 -0.40 -0.18 0.00 -2.44 0.00 0.00 57.07 53.99 2pyx s TYR 296 Cb -0.03 -2.38 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 2pyx s TYR 296 CO 0.04 -0.39 0.50 0.08 -1.34 0.00 0.00 175.55 174.43 2pyx s VAL 297 N 1.66 5.14 0.24 3.14 1.01 0.19 -0.76 120.40 131.03 2pyx s VAL 297 Ca 0.05 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 62.84 2pyx s VAL 297 Cb -0.17 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 2pyx s VAL 297 CO 0.08 0.24 0.49 -0.72 0.00 0.00 0.00 175.10 175.19 2pyx s TYR 298 N 1.20 0.30 -0.26 5.22 1.13 -0.72 -1.22 117.35 123.00 2pyx s TYR 298 Ca 0.25 -0.66 -0.09 0.00 -1.41 0.00 0.00 57.07 55.16 2pyx s TYR 298 Cb -0.15 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.90 2pyx s TYR 298 CO 0.10 -1.00 0.11 0.45 -2.51 0.00 0.00 175.55 172.70 2pyx s SER 299 N -3.00 5.43 0.41 -0.18 0.15 -1.04 -1.60 113.70 113.87 2pyx s SER 299 Ca 0.21 -0.18 0.29 0.00 0.70 0.00 0.00 55.95 56.97 2pyx s SER 299 Cb -0.01 -1.99 1.28 0.00 -1.71 0.00 0.00 66.02 63.59 2pyx s SER 299 CO 0.08 -0.05 1.87 0.77 1.20 0.00 0.00 173.24 177.10 2pyx h SER 300 N 8.29 0.00 -0.00 5.45 4.64 -1.81 -1.12 113.55 128.99 2pyx h SER 300 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2pyx h SER 300 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2pyx h SER 300 CO 0.57 0.00 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 2pyx n SER 301 N -2.63 0.61 -0.02 4.97 3.41 -1.26 -3.89 113.62 114.81 2pyx n SER 301 Ca 0.01 -1.20 -0.01 0.00 -0.26 0.00 0.00 58.87 57.40 2pyx n SER 301 Cb 0.22 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 2pyx n SER 301 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2pyx n HIS 302 N -0.52 0.00 -3.83 7.33 8.25 -0.50 -5.07 115.22 120.89 2pyx n HIS 302 Ca 0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.56 2pyx n HIS 302 Cb 0.21 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 2pyx n HIS 302 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2pyx s THR 303 N -2.22 0.06 0.93 1.59 -1.32 -0.77 -5.03 115.64 108.89 2pyx s THR 303 Ca -0.03 -0.50 -0.15 0.00 -1.21 0.00 0.00 61.69 59.81 2pyx s THR 303 Cb 0.02 -0.45 0.16 0.00 -1.51 0.00 0.00 72.50 70.73 2pyx s THR 303 CO 0.25 -0.27 1.23 0.54 -2.21 0.00 0.00 174.62 174.16 2pyx s ASN 304 N -1.07 3.38 0.17 8.08 2.20 -1.26 -4.26 114.94 122.18 2pyx s ASN 304 Ca -0.11 0.56 0.06 0.00 -0.94 0.00 0.00 52.86 52.42 2pyx s ASN 304 Cb -0.06 -0.83 -0.00 0.00 -2.00 0.00 0.00 41.25 38.36 2pyx s ASN 304 CO 0.02 -2.59 1.39 0.44 -2.94 0.00 0.00 177.10 173.42 2pyx h ASP 305 N -1.54 0.10 -0.12 3.54 3.32 -1.98 -2.53 116.42 117.20 2pyx h ASP 305 Ca -0.46 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.53 2pyx h ASP 305 Cb 1.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2pyx h ASP 305 CO 0.49 0.92 -0.03 0.40 -1.72 0.00 0.00 179.24 179.30 2pyx h ILE 306 N 0.04 0.87 -0.34 0.35 2.04 -2.00 -0.96 117.51 117.51 2pyx h ILE 306 Ca -0.02 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 2pyx h ILE 306 Cb 1.52 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2pyx h ILE 306 CO 0.12 0.00 -0.36 0.44 0.00 0.00 0.00 178.15 178.35 2pyx h ASP 307 N -0.01 0.83 -0.84 1.72 3.32 -1.96 -2.46 116.42 117.01 2pyx h ASP 307 Ca 0.06 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2pyx h ASP 307 Cb 0.10 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 2pyx h ASP 307 CO -0.13 1.11 0.53 0.00 -1.72 0.00 0.00 179.24 179.03 2pyx h ALA 308 N 0.94 1.07 -0.78 3.45 0.00 -1.25 -1.66 119.26 121.03 2pyx h ALA 308 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pyx h ALA 308 Cb 0.92 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2pyx h ALA 308 CO 0.08 0.51 0.41 0.37 0.00 0.00 0.00 179.25 180.63 2pyx h GLN 309 N 1.15 1.11 -0.54 0.00 4.15 -0.98 -1.30 115.11 118.70 2pyx h GLN 309 Ca 0.31 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.61 2pyx h GLN 309 Cb -0.08 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.36 2pyx h GLN 309 CO -0.06 0.83 0.33 -0.22 -1.93 0.00 0.00 178.83 177.78 2pyx h LYS 310 N 1.09 0.63 -0.59 1.69 1.63 -0.95 0.51 116.57 120.58 2pyx h LYS 310 Ca 0.27 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 2pyx h LYS 310 Cb 0.07 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 2pyx h LYS 310 CO -0.04 0.42 0.33 1.15 -3.45 0.00 0.00 179.45 177.86 2pyx h THR 311 N 0.65 1.00 -0.36 1.00 2.02 -0.99 0.62 112.91 116.85 2pyx h THR 311 Ca 0.22 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2pyx h THR 311 Cb 0.02 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2pyx h THR 311 CO -0.10 0.12 0.22 0.25 0.37 0.00 0.00 175.52 176.38 2pyx h LEU 312 N 0.64 0.43 -0.86 2.58 5.85 -0.45 -2.07 115.31 121.42 2pyx h LEU 312 Ca 0.26 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 2pyx h LEU 312 Cb 0.12 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2pyx h LEU 312 CO -0.15 0.35 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.84 2pyx h PHE 313 N 0.47 0.70 -0.56 1.25 0.04 -0.47 -1.58 116.94 116.78 2pyx h PHE 313 Ca 0.13 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.80 2pyx h PHE 313 Cb -0.01 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 2pyx h PHE 313 CO -0.04 0.78 0.32 -0.91 -0.60 0.00 0.00 178.31 177.86 2pyx h ASN 314 N 0.56 0.49 -0.75 2.17 2.35 -0.68 -0.73 115.58 119.00 2pyx h ASN 314 Ca 0.09 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2pyx h ASN 314 Cb 0.64 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 2pyx h ASN 314 CO 0.05 0.34 0.43 0.22 -1.65 0.00 0.00 177.43 176.81 2pyx h TYR 315 N 0.62 1.02 0.00 1.19 3.20 -0.68 -1.91 116.97 120.42 2pyx h TYR 315 Ca 0.24 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2pyx h TYR 315 Cb 0.09 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2pyx h TYR 315 CO -0.08 0.70 0.00 -0.07 -1.64 0.00 0.00 178.16 177.07 2pyx h LEU 316 N 1.05 0.00 0.28 2.82 3.38 -0.87 -3.47 115.31 118.50 2pyx h LEU 316 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2pyx h LEU 316 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pyx h LEU 316 CO -0.05 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 179.03 2pyx n GLY 317 N 0.63 0.30 3.33 0.83 0.00 -0.34 -5.05 105.19 104.89 2pyx n GLY 317 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2pyx n GLY 317 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pyx s VAL 318 N -2.18 2.09 0.28 1.61 -7.23 -0.80 -5.04 120.40 109.13 2pyx s VAL 318 Ca 0.00 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 2pyx s VAL 318 Cb -0.00 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.17 2pyx s VAL 318 CO 0.01 0.36 0.44 -0.90 -0.31 0.00 0.00 175.10 174.69 2pyx n ASP 319 N 1.81 -1.24 0.00 4.85 5.68 -1.26 -4.43 116.55 121.96 2pyx n ASP 319 Ca -0.17 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 2pyx n ASP 319 Cb 0.52 2.22 0.00 0.00 -1.14 0.00 0.00 41.12 42.72 2pyx n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pyx n GLY 320 N -0.44 3.15 0.21 6.12 0.00 -1.26 -2.32 105.19 110.66 2pyx n GLY 320 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 2pyx n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyx h ALA 321 N -0.97 1.12 0.04 4.61 0.00 -2.00 -2.25 119.26 119.81 2pyx h ALA 321 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2pyx h ALA 321 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2pyx h ALA 321 CO 0.00 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 2pyx h ALA 322 N 1.36 -0.05 -0.93 0.00 0.00 -1.93 -2.76 119.26 114.96 2pyx h ALA 322 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pyx h ALA 322 Cb 0.76 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2pyx h ALA 322 CO 0.06 -0.52 0.61 0.00 0.00 0.00 0.00 179.25 179.40 2pyx h ALA 323 N 0.90 1.19 0.00 0.00 0.00 -1.27 -2.75 119.26 117.34 2pyx h ALA 323 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pyx h ALA 323 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2pyx h ALA 323 CO 0.01 0.54 -0.01 -0.44 0.00 0.00 0.00 179.25 179.35 2pyx h ASP 324 N 1.23 0.00 1.17 0.00 3.32 -1.14 -1.79 116.42 119.21 2pyx h ASP 324 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2pyx h ASP 324 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2pyx h ASP 324 CO -0.09 0.01 -0.11 0.29 -1.72 0.00 0.00 179.24 177.62 2pyx n LYS 325 N -4.23 0.16 -2.49 3.56 4.01 -1.04 -4.87 118.16 113.25 2pyx n LYS 325 Ca -0.03 0.11 -0.37 0.00 -0.51 0.00 0.00 58.31 57.51 2pyx n LYS 325 Cb 0.09 -1.66 -0.04 0.00 -0.51 0.00 0.00 35.03 32.92 2pyx n LYS 325 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2pyx s LEU 326 N -3.86 4.15 -0.56 -0.35 1.43 -0.68 -5.01 118.68 113.81 2pyx s LEU 326 Ca 0.11 2.10 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 2pyx s LEU 326 Cb 0.15 -4.15 0.24 0.00 0.03 0.00 0.00 46.19 42.46 2pyx s LEU 326 CO 0.60 -0.53 0.64 -0.62 0.23 0.00 0.00 176.35 176.66 2pyx n GLU 327 N -0.03 1.79 -1.84 1.70 4.71 -1.26 -5.06 120.64 120.65 2pyx n GLU 327 Ca 0.05 -4.13 -0.34 0.00 -0.01 0.00 0.00 57.16 52.72 2pyx n GLU 327 Cb 0.49 -1.90 0.05 0.00 -1.01 0.00 0.00 31.44 29.06 2pyx n GLU 327 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2pyx s PRO 328 N -1.88 2.80 -0.13 3.49 0.04 -1.26 -4.92 135.00 133.14 2pyx s PRO 328 Ca 0.37 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2pyx s PRO 328 Cb 0.14 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2pyx s PRO 328 CO -0.06 -1.29 -0.08 1.03 0.04 0.00 0.00 177.00 176.63 2pyx s ARG 329 N -3.72 3.43 -0.16 4.56 0.52 0.05 -4.89 118.95 118.73 2pyx s ARG 329 Ca 0.72 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 55.26 2pyx s ARG 329 Cb -0.25 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 2pyx s ARG 329 CO 0.38 0.29 0.09 -1.14 0.02 0.00 0.00 175.30 174.93 2pyx s GLN 330 N 0.20 3.80 0.00 3.54 0.74 -1.26 -1.18 119.66 125.50 2pyx s GLN 330 Ca -0.05 -0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.15 2pyx s GLN 330 Cb -0.14 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 2pyx s GLN 330 CO 0.04 0.44 -0.20 -0.48 -0.55 0.00 0.00 175.29 174.53 2pyx s LEU 331 N -0.07 2.07 -0.04 3.68 0.05 -0.03 -4.99 118.68 119.35 2pyx s LEU 331 Ca 0.08 -0.41 0.06 0.00 0.05 0.00 0.00 54.13 53.91 2pyx s LEU 331 Cb -0.12 -1.02 -0.01 0.00 -2.05 0.00 0.00 46.19 43.00 2pyx s LEU 331 CO 0.01 0.22 -0.23 0.00 -0.55 0.00 0.00 176.35 175.80 2pyx s ALA 332 N -0.56 1.98 0.17 1.48 0.00 -1.26 -1.27 121.76 122.29 2pyx s ALA 332 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2pyx s ALA 332 Cb -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2pyx s ALA 332 CO -0.00 0.41 0.05 0.96 0.00 0.00 0.00 175.76 177.18 2pyx s ILE 333 N -0.25 0.36 -0.44 0.00 -4.36 -0.65 -5.00 121.20 110.87 2pyx s ILE 333 Ca 0.00 -1.96 -0.07 0.00 -0.26 0.00 0.00 60.65 58.37 2pyx s ILE 333 Cb -0.12 -2.21 0.11 0.00 1.25 0.00 0.00 42.46 41.49 2pyx s ILE 333 CO 0.02 -0.34 0.28 0.21 0.24 0.00 0.00 174.94 175.34 2pyx s ASN 334 N -3.15 5.51 0.28 4.36 2.47 -1.26 -4.68 114.94 118.48 2pyx s ASN 334 Ca 0.28 -1.90 -0.30 0.00 0.42 0.00 0.00 52.86 51.36 2pyx s ASN 334 Cb 0.07 -1.93 -0.11 0.00 -1.45 0.00 0.00 41.25 37.83 2pyx s ASN 334 CO 0.06 -0.61 1.53 -2.16 -3.72 0.00 0.00 177.10 172.19 2pyx s PRO 335 N 1.28 4.18 0.00 0.43 0.04 -1.26 -4.90 135.00 134.77 2pyx s PRO 335 Ca 0.06 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2pyx s PRO 335 Cb -0.24 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2pyx s PRO 335 CO -0.02 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2pyx n GLY 336 N 2.09 -1.46 3.16 0.56 0.00 -0.51 -0.17 105.19 108.87 2pyx n GLY 336 Ca 0.07 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 2pyx n GLY 336 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pyx s TYR 337 N -2.94 0.03 0.47 1.61 1.13 -0.92 -0.77 117.35 115.95 2pyx s TYR 337 Ca 0.00 -0.17 -0.23 0.00 -1.41 0.00 0.00 57.07 55.27 2pyx s TYR 337 Cb 0.00 -0.02 -0.07 0.00 -1.10 0.00 0.00 41.96 40.76 2pyx s TYR 337 CO 0.00 -0.37 1.17 1.03 -2.51 0.00 0.00 175.55 174.86 2pyx s ARG 338 N -2.01 3.71 0.46 -3.49 1.81 0.90 0.00 118.95 120.34 2pyx s ARG 338 Ca -0.09 1.77 0.12 0.00 -1.72 0.00 0.00 55.73 55.81 2pyx s ARG 338 Cb -0.04 -2.37 1.07 0.00 -0.45 0.00 0.00 34.95 33.16 2pyx s ARG 338 CO -0.01 -0.59 2.09 0.00 -0.68 0.00 0.00 175.30 176.11 2pyx h ALA 339 N 1.97 1.83 -3.08 2.13 0.00 -1.16 -3.42 119.26 117.53 2pyx h ALA 339 Ca -0.49 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.02 2pyx h ALA 339 Cb 1.25 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 2pyx h ALA 339 CO 0.60 0.14 -0.75 0.15 0.00 0.00 0.00 179.25 179.39 2pyx s LYS 340 N -5.15 0.80 0.02 0.00 1.02 -1.26 -4.89 119.74 110.29 2pyx s LYS 340 Ca -0.06 -1.03 0.23 0.00 0.02 0.00 0.00 55.97 55.13 2pyx s LYS 340 Cb 0.17 -0.65 0.07 0.00 -0.52 0.00 0.00 37.83 36.90 2pyx s LYS 340 CO 0.70 0.13 1.06 0.00 -0.92 0.00 0.00 175.35 176.32 2pyx s TRP 342 N -3.11 0.89 -0.05 0.00 -0.11 -1.26 -0.32 118.94 114.98 2pyx s TRP 342 Ca 0.06 -0.60 0.02 0.00 1.22 0.00 0.00 56.10 56.80 2pyx s TRP 342 Cb 0.15 -0.95 0.01 0.00 -1.50 0.00 0.00 33.47 31.19 2pyx s TRP 342 CO 0.80 -0.51 -0.10 -1.14 -4.62 0.00 0.00 176.95 171.39 2pyx s GLN 343 N 1.90 1.31 4.59 5.86 2.00 -0.06 -4.94 119.66 130.32 2pyx s GLN 343 Ca 0.01 -0.32 0.00 0.00 -2.00 0.00 0.00 55.36 53.05 2pyx s GLN 343 Cb -0.15 -1.15 0.00 0.00 0.80 0.00 0.00 33.01 32.51 2pyx s GLN 343 CO -0.07 0.03 0.00 0.09 -0.50 0.00 0.00 175.29 174.84 2pyx n ASN 344 N 3.72 0.00 -1.72 6.67 4.13 -1.26 -1.39 115.26 125.42 2pyx n ASN 344 Ca -0.22 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 55.87 2pyx n ASN 344 Cb 0.52 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.91 2pyx n ASN 344 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2pyx n ASN 345 N 4.94 3.99 -4.00 6.41 6.94 -1.26 -4.94 115.26 127.34 2pyx n ASN 345 Ca 0.00 -3.75 -0.26 0.00 -0.02 0.00 0.00 54.58 50.55 2pyx n ASN 345 Cb 0.00 -0.70 -0.17 0.00 -2.36 0.00 0.00 39.78 36.56 2pyx n ASN 345 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pyx s ILE 347 N 0.99 2.48 -0.11 0.00 1.01 -0.51 -0.88 121.20 124.18 2pyx s ILE 347 Ca -0.08 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 2pyx s ILE 347 Cb -0.15 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2pyx s ILE 347 CO -0.00 0.55 0.33 0.00 0.00 0.00 0.00 174.94 175.81 2pyx s ALA 348 N 0.34 3.63 -0.04 9.38 0.00 0.57 -0.13 121.76 135.50 2pyx s ALA 348 Ca -0.16 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2pyx s ALA 348 Cb -0.17 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2pyx s ALA 348 CO 0.08 0.23 -0.07 0.42 0.00 0.00 0.00 175.76 176.41 2pyx s ILE 349 N -0.04 0.72 0.00 0.00 1.01 -0.37 -4.58 121.20 117.93 2pyx s ILE 349 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2pyx s ILE 349 Cb -0.14 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2pyx s ILE 349 CO 0.07 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2pyx n GLY 350 N 3.71 2.18 3.50 6.18 0.00 -1.26 -4.29 105.19 115.21 2pyx n GLY 350 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2pyx n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyx n ALA 352 N 0.00 0.00 0.05 4.61 0.00 -0.98 -3.02 120.51 121.17 2pyx n ALA 352 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2pyx n ALA 352 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2pyx n ALA 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pyx h ALA 353 N 0.00 0.23 0.00 0.00 0.00 -1.82 -3.43 119.26 114.24 2pyx h ALA 353 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 2pyx h ALA 353 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pyx h ALA 353 CO 0.00 1.08 0.00 0.41 0.00 0.00 0.00 179.25 180.74 2pyx n GLY 354 N 1.89 0.47 3.64 0.00 0.00 -1.17 -0.07 105.19 109.95 2pyx n GLY 354 Ca -0.27 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 2pyx n GLY 354 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pyx s PHE 355 N -2.00 -0.49 0.32 1.61 5.36 0.05 -4.91 117.98 117.92 2pyx s PHE 355 Ca 0.00 1.19 0.05 0.00 -0.96 0.00 0.00 56.93 57.21 2pyx s PHE 355 Cb 0.00 0.36 -0.03 0.00 -0.34 0.00 0.00 43.02 43.01 2pyx s PHE 355 CO 0.00 -0.24 0.22 0.96 -1.46 0.00 0.00 175.22 174.71 2pyx s ILE 356 N 0.29 0.12 0.51 3.12 -4.36 -1.26 -1.42 121.20 118.21 2pyx s ILE 356 Ca 0.02 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.22 2pyx s ILE 356 Cb -0.05 -2.48 -0.11 0.00 1.25 0.00 0.00 42.46 41.08 2pyx s ILE 356 CO -0.06 0.00 0.49 -1.84 0.24 0.00 0.00 174.94 173.76 2pyx n GLU 357 N -0.62 0.51 0.00 0.37 0.28 -1.26 -4.82 120.64 115.10 2pyx n GLU 357 Ca 0.04 0.20 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 2pyx n GLU 357 Cb 0.63 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.92 2pyx n GLU 357 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2pyx n PRO 358 N 0.30 0.91 -2.07 3.44 -0.04 -1.26 -4.81 135.00 131.47 2pyx n PRO 358 Ca 0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2pyx n PRO 358 Cb 0.45 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 2pyx n PRO 358 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2pyx s LEU 359 N 0.00 4.34 -0.31 1.53 2.96 -1.26 -1.34 118.68 124.59 2pyx s LEU 359 Ca 0.00 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 2pyx s LEU 359 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2pyx s LEU 359 CO 0.00 -0.80 0.00 -0.62 -1.32 0.00 0.00 176.35 173.61 2pyx n GLU 360 N 5.49 -1.21 -3.62 1.98 -0.58 -1.26 -4.35 120.64 117.09 2pyx n GLU 360 Ca 0.14 0.46 -0.27 0.00 -0.42 0.00 0.00 57.16 57.08 2pyx n GLU 360 Cb 0.42 -4.45 0.04 0.00 -0.57 0.00 0.00 31.44 26.89 2pyx n GLU 360 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pyx n ALA 361 N 1.05 -2.45 0.50 0.62 0.00 -0.45 -4.88 120.51 114.90 2pyx n ALA 361 Ca -0.03 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.37 2pyx n ALA 361 Cb 0.35 -4.08 0.32 0.00 0.00 0.00 0.00 19.45 16.04 2pyx n ALA 361 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pyx h SER 362 N -1.74 0.00 0.47 0.00 4.64 -1.83 -3.38 113.55 111.71 2pyx h SER 362 Ca -0.65 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 2pyx h SER 362 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2pyx h SER 362 CO 0.49 0.01 -0.22 0.00 -0.87 0.00 0.00 176.83 176.23 2pyx h ALA 363 N 2.37 -0.63 -0.23 5.18 0.00 -1.91 -0.88 119.26 123.16 2pyx h ALA 363 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2pyx h ALA 363 Cb 0.82 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2pyx h ALA 363 CO 0.00 -0.70 -0.27 -0.07 0.00 0.00 0.00 179.25 178.21 2pyx h LEU 364 N -0.94 0.46 -0.79 0.00 3.38 -1.84 -2.54 115.31 113.04 2pyx h LEU 364 Ca -0.06 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.81 2pyx h LEU 364 Cb 0.59 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2pyx h LEU 364 CO 0.11 0.72 0.48 0.00 0.09 0.00 0.00 178.44 179.84 2pyx h ALA 365 N 1.31 1.08 -0.41 1.53 0.00 -1.71 -0.33 119.26 120.74 2pyx h ALA 365 Ca 0.06 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2pyx h ALA 365 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2pyx h ALA 365 CO 0.05 0.21 -0.31 -0.07 0.00 0.00 0.00 179.25 179.13 2pyx h LEU 366 N 0.88 0.97 -0.12 0.00 3.38 -0.99 -0.51 115.31 118.91 2pyx h LEU 366 Ca 0.35 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2pyx h LEU 366 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2pyx h LEU 366 CO -0.17 1.19 -0.06 0.40 0.09 0.00 0.00 178.44 179.88 2pyx h ILE 367 N 0.78 0.80 -0.54 1.22 2.04 -1.02 0.05 117.51 120.84 2pyx h ILE 367 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2pyx h ILE 367 Cb 0.88 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2pyx h ILE 367 CO 0.08 0.00 0.33 -0.33 0.00 0.00 0.00 178.15 178.23 2pyx h GLU 368 N -0.06 0.73 -0.08 2.37 5.08 -0.95 -0.83 114.58 120.84 2pyx h GLU 368 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pyx h GLU 368 Cb 0.16 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pyx h GLU 368 CO -0.15 0.52 0.04 2.35 -1.00 0.00 0.00 179.01 180.76 2pyx h TRP 369 N 0.72 0.10 -0.29 4.33 7.01 -0.88 -0.49 115.95 126.46 2pyx h TRP 369 Ca 0.19 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.13 2pyx h TRP 369 Cb -0.03 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 2pyx h TRP 369 CO -0.03 0.15 -0.06 1.15 -2.79 0.00 0.00 178.44 176.86 2pyx h THR 370 N 0.03 1.28 -0.30 2.65 2.02 -0.75 -0.25 112.91 117.59 2pyx h THR 370 Ca 0.03 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2pyx h THR 370 Cb 0.08 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2pyx h THR 370 CO -0.00 0.34 0.02 0.00 0.37 0.00 0.00 175.52 176.25 2pyx h ALA 371 N 0.79 0.40 -0.77 6.16 0.00 -1.16 -0.60 119.26 124.09 2pyx h ALA 371 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2pyx h ALA 371 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2pyx h ALA 371 CO 0.03 0.13 0.37 0.77 0.00 0.00 0.00 179.25 180.54 2pyx h SER 372 N 0.32 1.00 -0.35 0.00 0.02 -1.02 -0.86 113.55 112.66 2pyx h SER 372 Ca 0.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2pyx h SER 372 Cb 0.40 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2pyx h SER 372 CO 0.01 0.86 0.13 0.74 -1.14 0.00 0.00 176.83 177.43 2pyx h THR 373 N 1.08 1.19 -0.61 -2.27 2.02 -0.88 -0.35 112.91 113.09 2pyx h THR 373 Ca 0.26 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 2pyx h THR 373 Cb 0.12 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2pyx h THR 373 CO -0.03 0.21 0.33 0.25 0.37 0.00 0.00 175.52 176.65 2pyx h LEU 374 N 0.42 0.77 -1.14 2.58 5.85 -0.92 -0.17 115.31 122.70 2pyx h LEU 374 Ca 0.12 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2pyx h LEU 374 Cb 0.21 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2pyx h LEU 374 CO -0.01 0.65 0.32 0.00 -0.34 0.00 0.00 178.44 179.07 2pyx h ALA 375 N 1.15 1.34 0.00 1.25 0.00 -0.89 -1.33 119.26 120.77 2pyx h ALA 375 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pyx h ALA 375 Cb 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pyx h ALA 375 CO -0.03 0.52 -0.00 1.96 0.00 0.00 0.00 179.25 181.70 2pyx h GLN 376 N 0.92 0.00 -0.76 0.00 4.20 -0.59 -3.33 115.11 115.55 2pyx h GLN 376 Ca 0.23 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.47 2pyx h GLN 376 Cb 0.08 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.44 2pyx h GLN 376 CO -0.03 0.00 -0.90 1.04 -0.67 0.00 0.00 178.83 178.27 2pyx n GLN 377 N -3.10 3.05 -1.67 1.46 6.02 -0.12 -5.06 117.38 117.96 2pyx n GLN 377 Ca 0.03 -4.01 -0.43 0.00 -0.01 0.00 0.00 57.00 52.58 2pyx n GLN 377 Cb 0.48 -2.08 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 2pyx n GLN 377 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2pyx n LEU 378 N -0.63 4.06 -4.76 1.08 7.94 -0.55 -4.88 117.00 119.26 2pyx n LEU 378 Ca 0.33 0.94 -0.41 0.00 -1.11 0.00 0.00 56.01 55.76 2pyx n LEU 378 Cb 0.89 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 43.30 2pyx n LEU 378 CO 0.31 0.17 1.06 -2.84 -1.11 0.00 0.00 177.39 174.98 2pyx s PRO 379 N 3.72 4.29 0.28 1.96 0.02 -1.26 -4.89 135.00 139.12 2pyx s PRO 379 Ca 0.86 2.29 -0.02 0.00 0.02 0.00 0.00 61.00 64.16 2pyx s PRO 379 Cb -0.48 -3.09 0.44 0.00 0.02 0.00 0.00 34.50 31.40 2pyx s PRO 379 CO 0.41 -0.35 1.91 -1.35 -0.33 0.00 0.00 177.00 177.29 2pyx h PRO 380 N 4.32 1.10 -2.81 5.54 0.11 -1.94 -3.36 132.00 134.96 2pyx h PRO 380 Ca -0.47 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.63 2pyx h PRO 380 Cb 1.22 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2pyx h PRO 380 CO 0.72 0.73 0.40 0.54 -0.21 0.00 0.00 178.00 180.18 2pyx s ASN 381 N -6.02 -0.00 0.00 -2.05 2.20 -1.26 -2.24 114.94 105.57 2pyx s ASN 381 Ca -0.12 -0.94 -0.01 0.00 -0.94 0.00 0.00 52.86 50.84 2pyx s ASN 381 Cb 0.19 0.71 -0.07 0.00 -2.00 0.00 0.00 41.25 40.09 2pyx s ASN 381 CO 0.81 -1.40 1.83 -1.14 -2.94 0.00 0.00 177.10 174.25 2pyx n ARG 382 N -0.59 0.93 0.00 3.55 3.00 -1.26 -4.88 116.66 117.40 2pyx n ARG 382 Ca -0.06 -0.24 0.00 0.00 -0.00 0.00 0.00 57.85 57.55 2pyx n ARG 382 Cb 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.66 2pyx n ARG 382 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2pyx n VAL 384 N 2.01 0.00 0.00 5.15 0.24 -1.26 -5.03 118.33 119.44 2pyx n VAL 384 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2pyx n VAL 384 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2pyx n VAL 384 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2pyx n ASP 386 N 0.00 0.00 -0.21 -1.34 9.92 -1.26 -3.43 116.55 120.23 2pyx n ASP 386 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2pyx n ASP 386 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 2pyx n ASP 386 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2pyx h THR 387 N 0.00 1.27 -0.04 -3.53 2.02 -1.99 -0.32 112.91 110.31 2pyx h THR 387 Ca 0.00 -1.15 -0.16 0.00 0.77 0.00 0.00 66.41 65.87 2pyx h THR 387 Cb 0.00 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2pyx h THR 387 CO 0.00 0.42 -0.59 0.40 0.37 0.00 0.00 175.52 176.12 2pyx h ILE 388 N 0.97 1.39 -0.43 3.11 2.04 -1.96 -3.02 117.51 119.60 2pyx h ILE 388 Ca 0.17 -1.99 -0.06 0.00 1.00 0.00 0.00 64.86 63.98 2pyx h ILE 388 Cb 0.56 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 2pyx h ILE 388 CO 0.03 0.59 0.01 0.77 0.00 0.00 0.00 178.15 179.55 2pyx h SER 389 N 0.02 0.66 -0.52 1.72 4.64 -1.86 -0.99 113.55 117.22 2pyx h SER 389 Ca -0.06 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2pyx h SER 389 Cb 1.27 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2pyx h SER 389 CO 0.12 0.72 0.31 0.00 -0.87 0.00 0.00 176.83 177.11 2pyx h ALA 390 N 1.36 0.66 -0.01 5.18 0.00 -1.07 0.18 119.26 125.56 2pyx h ALA 390 Ca 0.14 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2pyx h ALA 390 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pyx h ALA 390 CO 0.01 0.15 -0.82 0.07 0.00 0.00 0.00 179.25 178.67 2pyx h ARG 391 N 0.70 0.19 -0.43 0.00 0.11 -1.31 -1.56 114.38 112.08 2pyx h ARG 391 Ca 0.19 -0.19 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 2pyx h ARG 391 Cb -0.01 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 2pyx h ARG 391 CO -0.03 0.90 0.10 0.28 0.10 0.00 0.00 179.97 181.32 2pyx h VAL 392 N 0.11 1.23 -0.73 0.08 2.07 -1.02 -1.97 116.25 116.03 2pyx h VAL 392 Ca -0.03 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2pyx h VAL 392 Cb 1.42 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2pyx h VAL 392 CO 0.12 0.29 0.40 0.78 0.02 0.00 0.00 177.57 179.18 2pyx h ASN 393 N 0.57 0.91 -0.42 0.57 2.35 -0.50 0.59 115.58 119.64 2pyx h ASN 393 Ca 0.13 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2pyx h ASN 393 Cb 0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2pyx h ASN 393 CO 0.00 0.74 0.12 -0.08 -1.65 0.00 0.00 177.43 176.56 2pyx h GLU 394 N 1.03 0.66 -0.54 0.81 4.22 -1.06 -0.27 114.58 119.42 2pyx h GLU 394 Ca 0.26 -0.15 -0.09 0.00 0.08 0.00 0.00 59.36 59.46 2pyx h GLU 394 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2pyx h GLU 394 CO -0.04 0.66 -0.02 -0.09 -2.18 0.00 0.00 179.01 177.34 2pyx h ARG 395 N 0.54 0.98 -0.65 1.92 9.65 -1.04 -0.95 114.38 124.83 2pyx h ARG 395 Ca 0.14 -0.32 0.07 0.00 -1.10 0.00 0.00 59.98 58.76 2pyx h ARG 395 Cb 0.28 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.72 2pyx h ARG 395 CO -0.00 0.99 0.34 -0.92 2.80 0.00 0.00 179.97 183.18 2pyx h TYR 396 N 0.85 0.63 -0.65 2.20 3.20 -0.69 0.73 116.97 123.24 2pyx h TYR 396 Ca 0.15 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2pyx h TYR 396 Cb 0.57 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2pyx h TYR 396 CO 0.04 0.28 0.17 1.96 -1.64 0.00 0.00 178.16 178.97 2pyx h GLN 397 N 0.63 1.04 -0.57 1.82 4.20 -0.70 -0.48 115.11 121.05 2pyx h GLN 397 Ca 0.30 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2pyx h GLN 397 Cb 0.23 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2pyx h GLN 397 CO -0.20 0.93 0.22 1.96 -0.67 0.00 0.00 178.83 181.06 2pyx h GLN 398 N 0.97 0.87 -0.38 1.46 4.20 -0.59 -1.14 115.11 120.49 2pyx h GLN 398 Ca 0.21 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2pyx h GLN 398 Cb 0.35 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 2pyx h GLN 398 CO 0.00 0.76 0.16 0.45 -0.67 0.00 0.00 178.83 179.53 2pyx h HIS 399 N 0.79 0.29 -0.51 2.96 3.86 -0.45 -1.19 115.15 120.91 2pyx h HIS 399 Ca 0.19 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 2pyx h HIS 399 Cb 0.22 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2pyx h HIS 399 CO 0.01 0.14 -0.12 -1.49 0.86 0.00 0.00 177.93 177.33 2pyx h TRP 400 N 0.34 1.07 -0.62 2.45 4.06 -0.95 0.10 115.95 122.41 2pyx h TRP 400 Ca 0.17 -0.22 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 2pyx h TRP 400 Cb 0.11 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 2pyx h TRP 400 CO -0.12 1.01 0.38 0.37 -3.56 0.00 0.00 178.44 176.52 2pyx h GLN 401 N 0.86 0.83 -0.67 0.49 4.15 -1.00 -1.18 115.11 118.59 2pyx h GLN 401 Ca 0.13 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 2pyx h GLN 401 Cb 0.66 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 2pyx h GLN 401 CO 0.05 0.59 0.16 0.37 -1.93 0.00 0.00 178.83 178.07 2pyx h GLN 402 N 0.83 1.07 -0.14 1.69 4.15 -0.73 -1.44 115.11 120.54 2pyx h GLN 402 Ca 0.22 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2pyx h GLN 402 Cb -0.04 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2pyx h GLN 402 CO -0.04 0.96 0.05 0.82 -1.93 0.00 0.00 178.83 178.68 2pyx h ILE 403 N 1.00 1.17 -0.52 2.39 2.04 -0.50 0.13 117.51 123.22 2pyx h ILE 403 Ca 0.21 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2pyx h ILE 403 Cb 0.37 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2pyx h ILE 403 CO 0.00 0.16 0.27 0.40 0.00 0.00 0.00 178.15 178.98 2pyx h ILE 404 N 0.06 1.19 -0.41 -0.67 1.08 -1.10 -0.42 117.51 117.23 2pyx h ILE 404 Ca 0.05 -0.51 -0.10 0.00 -0.39 0.00 0.00 64.86 63.90 2pyx h ILE 404 Cb 0.21 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 2pyx h ILE 404 CO -0.00 0.21 -0.13 0.44 -0.69 0.00 0.00 178.15 177.97 2pyx h ASP 405 N 0.69 0.83 -0.25 1.72 3.32 -1.13 0.20 116.42 121.81 2pyx h ASP 405 Ca 0.18 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 2pyx h ASP 405 Cb 0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2pyx h ASP 405 CO -0.03 1.02 0.05 0.15 -1.72 0.00 0.00 179.24 178.71 2pyx h PHE 406 N 0.63 0.43 -0.24 4.55 3.57 -0.48 -0.54 116.94 124.85 2pyx h PHE 406 Ca 0.10 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pyx h PHE 406 Cb 0.67 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2pyx h PHE 406 CO 0.05 0.51 0.14 -0.07 -2.23 0.00 0.00 178.31 176.71 2pyx h LEU 407 N 0.22 0.29 -1.27 0.59 4.07 -1.01 -2.87 115.31 115.32 2pyx h LEU 407 Ca 0.08 -0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.00 2pyx h LEU 407 Cb 0.30 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 2pyx h LEU 407 CO 0.00 0.27 0.50 0.50 -1.08 0.00 0.00 178.44 178.63 2pyx h LYS 408 N 0.30 0.94 -1.00 1.13 1.63 -0.80 -1.58 116.57 117.18 2pyx h LYS 408 Ca 0.09 -0.06 0.23 0.00 -0.85 0.00 0.00 60.65 60.06 2pyx h LYS 408 Cb 0.03 -0.21 -0.12 0.00 -0.60 0.00 0.00 32.23 31.33 2pyx h LYS 408 CO -0.02 0.62 0.59 1.25 -3.45 0.00 0.00 179.45 178.45 2pyx h LEU 409 N 0.97 0.70 -1.49 5.20 5.85 -0.86 -0.46 115.31 125.20 2pyx h LEU 409 Ca 0.29 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.17 2pyx h LEU 409 Cb -0.01 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2pyx h LEU 409 CO -0.08 0.15 0.37 0.45 -0.34 0.00 0.00 178.44 178.99 2pyx h HIS 410 N 0.63 0.64 0.14 1.25 3.86 -1.29 -2.99 115.15 117.40 2pyx h HIS 410 Ca 0.62 0.02 -0.28 0.00 -1.16 0.00 0.00 60.37 59.57 2pyx h HIS 410 Cb 1.13 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 29.39 2pyx h HIS 410 CO -0.01 0.38 -1.40 1.88 0.86 0.00 0.00 177.93 179.64 2pyx h TYR 411 N 0.67 0.55 0.00 2.45 0.05 -1.24 -3.39 116.97 116.06 2pyx h TYR 411 Ca 0.22 -0.40 -0.07 0.00 0.05 0.00 0.00 58.73 58.54 2pyx h TYR 411 Cb 0.06 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2pyx h TYR 411 CO -0.00 1.55 -0.32 -0.39 -1.05 0.00 0.00 178.16 177.95 2pyx h VAL 412 N -0.20 1.06 -0.60 -2.88 -1.51 -1.06 -2.59 116.25 108.48 2pyx h VAL 412 Ca -0.29 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 2pyx h VAL 412 Cb 1.84 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 2pyx h VAL 412 CO 0.11 0.31 0.00 2.30 -1.23 0.00 0.00 177.57 179.06 2pyx n ILE 413 N -3.92 1.02 -1.45 7.19 -5.35 -1.20 -4.77 119.36 110.87 2pyx n ILE 413 Ca -0.02 -0.87 -0.33 0.00 -0.27 0.00 0.00 62.75 61.26 2pyx n ILE 413 Cb 0.38 0.32 0.08 0.00 -1.74 0.00 0.00 39.64 38.69 2pyx n ILE 413 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2pyx s SER 414 N -0.95 4.47 0.00 7.28 0.15 -0.98 -4.93 113.70 118.74 2pyx s SER 414 Ca 0.42 2.11 0.16 0.00 0.70 0.00 0.00 55.95 59.34 2pyx s SER 414 Cb 0.23 -2.56 0.30 0.00 -1.71 0.00 0.00 66.02 62.28 2pyx s SER 414 CO 0.26 -2.07 1.21 0.00 1.20 0.00 0.00 173.24 173.84 2pyx n GLN 415 N -2.89 2.10 -1.71 5.44 6.02 0.87 -5.02 117.38 122.19 2pyx n GLN 415 Ca 0.11 -1.92 -0.43 0.00 -0.01 0.00 0.00 57.00 54.76 2pyx n GLN 415 Cb 0.52 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 30.40 2pyx n GLN 415 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pyx n ARG 416 N 0.94 2.51 0.00 -1.09 1.74 -1.15 -4.66 116.66 114.95 2pyx n ARG 416 Ca 0.13 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 2pyx n ARG 416 Cb 0.46 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.23 2pyx n ARG 416 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2pyx n GLN 417 N 2.71 1.78 0.16 5.56 -0.06 -1.26 -4.39 117.38 121.87 2pyx n GLN 417 Ca 0.12 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.13 2pyx n GLN 417 Cb 0.34 -0.88 0.22 0.00 -4.06 0.00 0.00 30.24 25.86 2pyx n GLN 417 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2pyx h GLU 418 N 0.00 0.00 -5.97 3.69 4.39 -2.00 -3.44 114.58 111.24 2pyx h GLU 418 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 2pyx h GLU 418 Cb 0.18 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.60 2pyx h GLU 418 CO 0.00 0.53 -0.74 -0.51 -1.16 0.00 0.00 179.01 177.12 2pyx s ASP 419 N -6.66 4.23 0.27 1.42 1.01 -1.26 -5.01 116.67 110.67 2pyx s ASP 419 Ca -0.00 -0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.08 2pyx s ASP 419 Cb 0.12 -1.17 0.54 0.00 1.01 0.00 0.00 42.92 43.42 2pyx s ASP 419 CO 0.73 0.29 1.81 -0.09 0.21 0.00 0.00 175.17 178.13 2pyx h ARG 420 N 5.74 0.84 -0.62 8.23 2.43 -1.88 -1.74 114.38 127.38 2pyx h ARG 420 Ca -0.41 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 58.84 2pyx h ARG 420 Cb 1.17 -0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.43 2pyx h ARG 420 CO 0.53 0.55 0.03 -0.92 -1.51 0.00 0.00 179.97 178.65 2pyx h TYR 421 N 0.86 0.01 -0.10 2.20 3.20 -1.95 0.30 116.97 121.48 2pyx h TYR 421 Ca 0.48 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 62.17 2pyx h TYR 421 Cb 0.55 0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.92 2pyx h TYR 421 CO -0.03 -0.15 -0.84 -1.49 -1.64 0.00 0.00 178.16 174.01 2pyx h TRP 422 N 0.14 0.98 -0.54 -3.82 4.06 -1.57 -2.36 115.95 112.85 2pyx h TRP 422 Ca 0.33 -0.46 -0.03 0.00 2.06 0.00 0.00 58.89 60.79 2pyx h TRP 422 Cb 0.53 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 2pyx h TRP 422 CO -0.35 1.28 0.23 0.00 -3.56 0.00 0.00 178.44 176.05 2pyx h ARG 423 N 0.46 0.79 -0.42 0.49 3.08 -0.98 -2.76 114.38 115.04 2pyx h ARG 423 Ca -0.07 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.85 2pyx h ARG 423 Cb 1.47 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 2pyx h ARG 423 CO 0.17 0.68 0.28 -0.44 -1.07 0.00 0.00 179.97 179.59 2pyx h ASP 424 N 0.73 0.48 0.45 7.04 3.32 -0.31 -2.36 116.42 125.76 2pyx h ASP 424 Ca 0.18 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2pyx h ASP 424 Cb 0.18 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2pyx h ASP 424 CO -0.02 0.35 0.00 0.45 -1.72 0.00 0.00 179.24 178.30 2pyx h HIS 425 N 0.56 0.00 -0.05 4.55 3.86 -1.11 -1.71 115.15 121.25 2pyx h HIS 425 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2pyx h HIS 425 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2pyx h HIS 425 CO -0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 2pyx n ARG 426 N -3.03 1.98 -2.86 2.45 1.74 -0.89 -4.50 116.66 111.55 2pyx n ARG 426 Ca -0.01 -1.42 -0.39 0.00 -0.77 0.00 0.00 57.85 55.25 2pyx n ARG 426 Cb 0.17 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 2pyx n ARG 426 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pyx s GLU 427 N -1.96 4.70 0.46 5.56 0.41 -0.65 -4.96 118.70 122.27 2pyx s GLU 427 Ca 0.34 1.33 0.13 0.00 -0.41 0.00 0.00 54.97 56.36 2pyx s GLU 427 Cb 0.20 -3.22 1.08 0.00 -1.78 0.00 0.00 34.13 30.41 2pyx s GLU 427 CO 0.32 0.52 2.05 0.77 -0.49 0.00 0.00 175.26 178.43 2pyx h SER 428 N 4.11 0.26 0.50 -0.19 0.02 -1.92 -1.38 113.55 114.96 2pyx h SER 428 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2pyx h SER 428 Cb 1.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2pyx h SER 428 CO 0.67 0.18 0.00 -0.46 -1.14 0.00 0.00 176.83 176.08 2pyx n ASN 429 N -4.48 0.00 -0.73 3.07 6.94 -1.26 -1.78 115.26 117.02 2pyx n ASN 429 Ca 0.04 0.40 0.09 0.00 -0.02 0.00 0.00 54.58 55.10 2pyx n ASN 429 Cb 0.22 -0.45 0.07 0.00 -2.36 0.00 0.00 39.78 37.26 2pyx n ASN 429 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2pyx n SER 430 N -1.45 2.51 -4.33 0.53 3.41 -0.52 -4.88 113.62 108.89 2pyx n SER 430 Ca 0.05 -1.75 -0.36 0.00 -0.26 0.00 0.00 58.87 56.54 2pyx n SER 430 Cb 0.18 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 2pyx n SER 430 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pyx s ILE 431 N -1.55 3.73 0.43 -1.33 1.01 -0.73 -4.32 121.20 118.44 2pyx s ILE 431 Ca 0.21 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 2pyx s ILE 431 Cb 0.15 -2.83 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 2pyx s ILE 431 CO 0.24 0.23 1.05 -2.65 0.00 0.00 0.00 174.94 173.80 2pyx n PRO 432 N 4.83 1.41 -0.30 2.79 -0.02 -1.26 -4.73 135.00 137.73 2pyx n PRO 432 Ca -0.16 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 61.88 2pyx n PRO 432 Cb 0.49 -2.11 0.25 0.00 -0.02 0.00 0.00 33.50 32.11 2pyx n PRO 432 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pyx h ASP 433 N 1.55 0.88 -0.90 2.55 3.32 -1.98 0.16 116.42 122.00 2pyx h ASP 433 Ca -0.45 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.63 2pyx h ASP 433 Cb 1.33 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 2pyx h ASP 433 CO 0.57 0.56 0.59 0.77 -1.72 0.00 0.00 179.24 180.00 2pyx h SER 434 N 1.00 1.01 -0.11 6.45 4.64 -2.00 -1.58 113.55 122.95 2pyx h SER 434 Ca 0.40 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.49 2pyx h SER 434 Cb 0.25 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2pyx h SER 434 CO -0.16 0.72 -0.69 0.25 -0.87 0.00 0.00 176.83 176.08 2pyx h LEU 435 N 1.19 0.86 -0.89 5.97 5.85 -1.61 -2.99 115.31 123.67 2pyx h LEU 435 Ca 0.34 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2pyx h LEU 435 Cb -0.09 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.61 2pyx h LEU 435 CO -0.09 1.31 0.54 1.56 -0.34 0.00 0.00 178.44 181.42 2pyx h GLN 436 N 0.53 0.88 -0.61 1.25 4.20 -0.65 0.29 115.11 120.99 2pyx h GLN 436 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2pyx h GLN 436 Cb 1.30 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2pyx h GLN 436 CO 0.14 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.88 2pyx n ALA 437 N -2.37 1.35 0.00 3.87 0.00 -0.63 -2.05 120.51 120.68 2pyx n ALA 437 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2pyx n ALA 437 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2pyx n ALA 437 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pyx n LEU 439 N 0.56 0.00 0.03 0.00 4.77 0.09 -1.37 117.00 121.07 2pyx n LEU 439 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2pyx n LEU 439 Cb 0.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 2pyx n LEU 439 CO 0.00 0.00 0.66 -0.33 -1.33 0.00 0.00 177.39 176.39 2pyx h GLU 440 N 0.00 -0.07 -0.97 3.23 5.08 -1.67 -3.07 114.58 117.11 2pyx h GLU 440 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2pyx h GLU 440 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2pyx h GLU 440 CO 0.00 0.29 0.64 1.25 -1.00 0.00 0.00 179.01 180.19 2pyx h LEU 441 N -0.44 1.12 -0.27 1.33 5.85 -1.49 -2.67 115.31 118.74 2pyx h LEU 441 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2pyx h LEU 441 Cb 0.39 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2pyx h LEU 441 CO 0.01 0.82 0.00 0.79 -0.34 0.00 0.00 178.44 179.72 2pyx n TRP 442 N -4.40 0.56 0.30 1.25 8.01 -1.22 -0.92 117.44 121.01 2pyx n TRP 442 Ca 0.11 0.19 0.15 0.00 -1.31 0.00 0.00 57.50 56.65 2pyx n TRP 442 Cb 0.02 -0.81 0.92 0.00 -2.01 0.00 0.00 31.31 29.42 2pyx n TRP 442 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2pyx h ARG 443 N 0.00 0.00 0.00 -0.99 3.08 -1.37 -3.31 114.38 111.79 2pyx h ARG 443 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pyx h ARG 443 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2pyx h ARG 443 CO 0.00 0.01 -1.05 0.66 -1.07 0.00 0.00 179.97 178.52 2pyx n TYR 444 N -3.82 0.00 -3.67 3.04 4.01 -0.10 -0.94 117.16 115.68 2pyx n TYR 444 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 2pyx n TYR 444 Cb 0.09 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 2pyx n TYR 444 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2pyx s GLN 445 N -2.16 0.93 0.66 -0.72 -2.07 -0.80 -4.53 119.66 110.98 2pyx s GLN 445 Ca -0.01 -0.45 -0.15 0.00 -1.82 0.00 0.00 55.36 52.92 2pyx s GLN 445 Cb 0.03 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 2pyx s GLN 445 CO 0.17 -0.33 1.12 0.95 -1.32 0.00 0.00 175.29 175.88 2pyx s THR 446 N -2.76 3.13 0.49 3.63 -4.23 -1.26 -4.06 115.64 110.58 2pyx s THR 446 Ca -0.03 0.54 -0.23 0.00 -1.18 0.00 0.00 61.69 60.78 2pyx s THR 446 Cb -0.00 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.70 2pyx s THR 446 CO -0.04 -0.32 1.27 -2.65 -0.54 0.00 0.00 174.62 172.34 2pyx n PRO 447 N -2.41 1.75 -4.04 3.99 -0.02 -1.26 -4.98 135.00 128.03 2pyx n PRO 447 Ca 0.11 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2pyx n PRO 447 Cb 0.52 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 2pyx n PRO 447 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2pyx s SER 448 N -0.74 0.20 0.62 2.55 1.04 -1.26 -4.93 113.70 111.19 2pyx s SER 448 Ca 0.66 -1.14 0.33 0.00 0.48 0.00 0.00 55.95 56.29 2pyx s SER 448 Cb -0.46 0.59 1.89 0.00 0.10 0.00 0.00 66.02 68.14 2pyx s SER 448 CO 0.54 -1.16 2.17 0.06 0.98 0.00 0.00 173.24 175.82 2pyx h GLN 449 N 2.25 0.00 0.00 4.02 -0.00 -1.94 -1.30 115.11 118.14 2pyx h GLN 449 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2pyx h GLN 449 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 2pyx h GLN 449 CO 0.39 0.00 0.00 1.96 -0.00 0.00 0.00 178.83 181.18 2pyx h GLN 450 N 0.00 0.00 0.00 0.06 1.08 -1.98 -2.19 115.11 112.08 2pyx h GLN 450 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2pyx h GLN 450 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2pyx h GLN 450 CO -0.00 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.63 2pyx n ASP 451 N -2.62 0.01 -4.25 1.46 8.00 -0.49 -4.72 116.55 113.95 2pyx n ASP 451 Ca 0.00 0.50 -0.33 0.00 0.71 0.00 0.00 54.79 55.67 2pyx n ASP 451 Cb 0.18 -0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 40.62 2pyx n ASP 451 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pyx s ILE 452 N -3.00 2.68 -0.34 0.53 1.01 -0.82 -5.02 121.20 116.23 2pyx s ILE 452 Ca 0.14 -0.76 0.23 0.00 0.00 0.00 0.00 60.65 60.25 2pyx s ILE 452 Cb 0.18 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 2pyx s ILE 452 CO 0.52 0.51 0.96 -1.54 0.00 0.00 0.00 174.94 175.39 2pyx n SER 453 N 4.21 0.62 -4.52 3.58 3.41 -1.26 -4.98 113.62 114.67 2pyx n SER 453 Ca -0.19 0.09 -0.24 0.00 -0.26 0.00 0.00 58.87 58.27 2pyx n SER 453 Cb 0.51 0.80 -0.09 0.00 -0.26 0.00 0.00 64.21 65.17 2pyx n SER 453 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2pyx s TYR 454 N -3.33 2.40 0.50 7.33 1.13 -1.26 -5.12 117.35 119.00 2pyx s TYR 454 Ca -0.00 -0.34 -0.19 0.00 -1.41 0.00 0.00 57.07 55.12 2pyx s TYR 454 Cb 0.12 -1.12 -0.08 0.00 -1.10 0.00 0.00 41.96 39.78 2pyx s TYR 454 CO 0.81 0.66 1.04 0.15 -2.51 0.00 0.00 175.55 175.70 2pyx s LYS 455 N -3.57 3.75 -1.25 -3.49 1.02 -1.26 -4.32 119.74 110.61 2pyx s LYS 455 Ca 0.31 1.32 -0.01 0.00 0.02 0.00 0.00 55.97 57.61 2pyx s LYS 455 Cb -0.04 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2pyx s LYS 455 CO 0.16 -0.47 0.91 0.39 -0.92 0.00 0.00 175.35 175.42 2pyx n GLU 456 N -1.13 -6.08 -1.84 1.68 1.02 -1.26 -4.93 120.64 108.10 2pyx n GLU 456 Ca 0.09 0.76 -0.37 0.00 -0.02 0.00 0.00 57.16 57.63 2pyx n GLU 456 Cb 0.53 -5.62 0.06 0.00 -0.02 0.00 0.00 31.44 26.38 2pyx n GLU 456 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pyx s ALA 457 N -3.46 2.45 0.08 0.62 0.00 -1.26 -4.93 121.76 115.25 2pyx s ALA 457 Ca 0.05 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 2pyx s ALA 457 Cb -0.02 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2pyx s ALA 457 CO 0.76 -1.44 1.51 -0.07 0.00 0.00 0.00 175.76 176.51 2pyx h LEU 458 N 0.70 0.40 -8.68 0.00 3.38 -1.94 -3.41 115.31 105.75 2pyx h LEU 458 Ca -0.51 -0.32 -0.65 0.00 0.09 0.00 0.00 57.88 56.50 2pyx h LEU 458 Cb 1.32 -0.11 -0.24 0.00 0.09 0.00 0.00 40.66 41.73 2pyx h LEU 458 CO 0.54 0.62 -0.69 -0.36 0.09 0.00 0.00 178.44 178.64 2pyx s PHE 459 N -4.95 2.99 0.80 1.13 0.08 -1.26 -5.12 117.98 111.64 2pyx s PHE 459 Ca -0.14 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.28 2pyx s PHE 459 Cb 0.07 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.58 2pyx s PHE 459 CO 0.74 -0.22 1.16 -1.25 -0.10 0.00 0.00 175.22 175.55 2pyx s PRO 460 N 0.77 2.09 0.37 0.24 0.04 -1.26 -4.92 135.00 132.32 2pyx s PRO 460 Ca -0.02 0.21 0.13 0.00 0.04 0.00 0.00 61.00 61.36 2pyx s PRO 460 Cb -0.15 -1.96 0.94 0.00 0.04 0.00 0.00 34.50 33.38 2pyx s PRO 460 CO 0.02 -1.53 1.82 0.00 0.04 0.00 0.00 177.00 177.35 2pyx h ALA 461 N -1.01 1.99 -0.76 8.56 0.00 -1.96 -0.59 119.26 125.49 2pyx h ALA 461 Ca -0.46 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.58 2pyx h ALA 461 Cb 1.31 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2pyx h ALA 461 CO 0.65 -0.31 0.50 0.00 0.00 0.00 0.00 179.25 180.09 2pyx h ALA 462 N 1.62 1.76 -0.85 0.00 0.00 -1.93 -0.85 119.26 119.01 2pyx h ALA 462 Ca 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2pyx h ALA 462 Cb 1.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2pyx h ALA 462 CO -0.26 0.09 0.43 0.77 0.00 0.00 0.00 179.25 180.29 2pyx h SER 463 N 0.72 1.08 -0.55 0.00 0.02 -1.46 0.60 113.55 113.96 2pyx h SER 463 Ca 0.34 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2pyx h SER 463 Cb 0.40 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2pyx h SER 463 CO -0.13 0.89 -0.05 -0.26 -1.14 0.00 0.00 176.83 176.14 2pyx h PHE 464 N 1.20 1.12 -0.51 3.45 -1.00 -1.26 -2.16 116.94 117.78 2pyx h PHE 464 Ca 0.29 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 2pyx h PHE 464 Cb 0.07 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 2pyx h PHE 464 CO 0.01 1.02 0.26 1.96 -1.61 0.00 0.00 178.31 179.95 2pyx h GLN 465 N 0.90 0.72 -0.71 1.51 4.20 -0.67 0.29 115.11 121.34 2pyx h GLN 465 Ca 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2pyx h GLN 465 Cb 0.61 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2pyx h GLN 465 CO 0.04 0.58 0.35 1.88 -0.67 0.00 0.00 178.83 181.01 2pyx h TYR 466 N 0.67 1.00 0.03 2.96 0.05 -0.69 -0.96 116.97 120.03 2pyx h TYR 466 Ca 0.18 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 2pyx h TYR 466 Cb 0.08 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.51 2pyx h TYR 466 CO -0.01 0.73 -0.02 0.28 -1.05 0.00 0.00 178.16 178.10 2pyx h VAL 467 N 0.98 1.37 -0.18 -2.88 2.07 -1.30 0.35 116.25 116.66 2pyx h VAL 467 Ca 0.24 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.40 2pyx h VAL 467 Cb 0.09 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 2pyx h VAL 467 CO -0.03 0.35 -0.11 0.25 0.02 0.00 0.00 177.57 178.04 2pyx h LEU 468 N -0.68 -0.37 0.00 2.57 5.85 -0.84 -2.89 115.31 118.96 2pyx h LEU 468 Ca -0.00 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2pyx h LEU 468 Cb 0.61 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2pyx h LEU 468 CO 0.01 -0.15 -0.88 1.88 -0.34 0.00 0.00 178.44 178.96 2pyx h TYR 469 N -0.11 0.00 0.00 1.25 0.05 -1.30 -2.25 116.97 114.62 2pyx h TYR 469 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2pyx h TYR 469 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2pyx h TYR 469 CO -0.26 0.31 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 2pyx n GLY 470 N 1.25 0.00 0.97 3.88 0.00 0.11 -4.54 105.19 106.87 2pyx n GLY 470 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2pyx n GLY 470 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pyx n SER 472 N 0.68 -0.25 -4.77 1.61 7.64 -1.19 -4.77 113.62 112.58 2pyx n SER 472 Ca 0.00 -1.81 -0.41 0.00 1.01 0.00 0.00 58.87 57.66 2pyx n SER 472 Cb 0.00 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 2pyx n SER 472 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2pyx s PHE 473 N 0.00 2.95 -0.16 1.43 5.36 -0.85 -4.98 117.98 121.73 2pyx s PHE 473 Ca 0.08 1.28 -0.17 0.00 -0.96 0.00 0.00 56.93 57.16 2pyx s PHE 473 Cb 0.09 -3.78 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 2pyx s PHE 473 CO -0.04 -2.27 0.42 1.21 -1.46 0.00 0.00 175.22 173.08 2pyx s ASN 474 N -0.22 6.55 -0.06 6.13 2.47 -1.26 -4.79 114.94 123.75 2pyx s ASN 474 Ca 0.52 0.66 0.05 0.00 0.42 0.00 0.00 52.86 54.50 2pyx s ASN 474 Cb -0.42 -2.25 -0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2pyx s ASN 474 CO 0.53 -0.01 -0.21 -0.89 -3.72 0.00 0.00 177.10 172.79 2pyx s THR 475 N 0.86 1.79 0.22 -5.21 2.01 -1.26 -4.57 115.64 109.48 2pyx s THR 475 Ca 0.22 -0.90 -0.32 0.00 0.31 0.00 0.00 61.69 61.00 2pyx s THR 475 Cb -0.15 -1.54 -0.14 0.00 0.01 0.00 0.00 72.50 70.69 2pyx s THR 475 CO 0.08 0.50 1.41 1.67 -0.69 0.00 0.00 174.62 177.59 2pyx n GLN 476 N 3.22 1.96 -2.21 4.92 7.27 -0.12 -4.92 117.38 127.50 2pyx n GLN 476 Ca -0.19 0.70 -0.41 0.00 0.07 0.00 0.00 57.00 57.18 2pyx n GLN 476 Cb 0.52 -2.36 -0.03 0.00 2.41 0.00 0.00 30.24 30.79 2pyx n GLN 476 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2pyx s LEU 477 N 0.24 4.46 0.52 1.69 1.43 -1.26 -4.66 118.68 121.10 2pyx s LEU 477 Ca 0.70 2.56 -0.22 0.00 -1.03 0.00 0.00 54.13 56.14 2pyx s LEU 477 Cb -0.67 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 2pyx s LEU 477 CO 0.48 -0.44 1.11 -2.65 0.23 0.00 0.00 176.35 175.09 2pyx n PRO 478 N 1.09 1.33 -3.97 1.29 -0.02 -1.26 -5.04 135.00 128.42 2pyx n PRO 478 Ca 0.00 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 2pyx n PRO 478 Cb 0.43 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 2pyx n PRO 478 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pyx s THR 479 N -1.36 3.03 -1.52 3.45 -4.23 -1.26 -4.73 115.64 109.02 2pyx s THR 479 Ca 0.70 -1.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.54 2pyx s THR 479 Cb -0.46 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.42 2pyx s THR 479 CO 0.51 -0.14 0.70 1.41 -0.54 0.00 0.00 174.62 176.57 2pyx n HIS 480 N -1.26 -1.87 -2.10 3.99 8.25 -1.26 -4.88 115.22 116.09 2pyx n HIS 480 Ca -0.02 0.81 -0.41 0.00 -0.26 0.00 0.00 57.72 57.85 2pyx n HIS 480 Cb 0.61 -3.64 -0.02 0.00 1.12 0.00 0.00 29.99 28.06 2pyx n HIS 480 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2pyx s VAL 481 N -3.56 2.81 -0.12 1.59 1.01 -1.26 -4.95 120.40 115.92 2pyx s VAL 481 Ca 0.39 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 2pyx s VAL 481 Cb -0.21 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2pyx s VAL 481 CO 0.88 0.14 1.23 -0.54 0.00 0.00 0.00 175.10 176.81 2pyx s LYS 482 N -0.85 4.28 0.32 2.72 1.02 -1.26 -4.94 119.74 121.02 2pyx s LYS 482 Ca 0.55 1.66 0.08 0.00 0.02 0.00 0.00 55.97 58.28 2pyx s LYS 482 Cb -0.40 -3.68 0.81 0.00 -0.52 0.00 0.00 37.83 34.05 2pyx s LYS 482 CO 0.46 -0.60 1.77 -1.35 -0.92 0.00 0.00 175.35 174.70 2pyx h PRO 483 N 7.89 0.66 0.00 -1.68 0.11 -2.04 -1.12 132.00 135.82 2pyx h PRO 483 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2pyx h PRO 483 Cb 1.13 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2pyx h PRO 483 CO 0.93 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 178.03 2pyx n SER 484 N -4.77 0.00 0.00 -2.05 3.41 -1.26 -0.83 113.62 108.11 2pyx n SER 484 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2pyx n SER 484 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2pyx n SER 484 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2pyx n GLN 486 N 0.34 0.00 -0.17 4.33 -0.06 -0.42 -1.22 117.38 120.18 2pyx n GLN 486 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 2pyx n GLN 486 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2pyx n GLN 486 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2pyx h GLN 487 N 0.00 0.88 0.03 3.69 4.20 -1.25 -0.67 115.11 121.99 2pyx h GLN 487 Ca 0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 2pyx h GLN 487 Cb 0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2pyx h GLN 487 CO 0.00 0.93 -0.02 1.25 -0.67 0.00 0.00 178.83 180.32 2pyx h LEU 488 N 0.73 -0.04 -0.59 1.46 5.85 -1.42 -2.00 115.31 119.30 2pyx h LEU 488 Ca 0.13 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2pyx h LEU 488 Cb 0.55 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 2pyx h LEU 488 CO 0.03 -0.03 0.16 0.00 -0.34 0.00 0.00 178.44 178.27 2pyx h ALA 489 N 0.93 0.72 -0.74 1.25 0.00 -1.79 -0.56 119.26 119.06 2pyx h ALA 489 Ca -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2pyx h ALA 489 Cb 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2pyx h ALA 489 CO 0.01 -0.27 0.28 0.37 0.00 0.00 0.00 179.25 179.64 2pyx h GLN 490 N 0.31 1.12 0.00 0.00 5.75 -0.89 0.92 115.11 122.32 2pyx h GLN 490 Ca 0.30 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2pyx h GLN 490 Cb 0.42 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2pyx h GLN 490 CO -0.36 0.93 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.60 2pyx h ARG 491 N 1.08 -0.11 -0.92 1.69 2.43 -0.63 -1.09 114.38 116.83 2pyx h ARG 491 Ca 0.25 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2pyx h ARG 491 Cb 0.24 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2pyx h ARG 491 CO -0.02 -0.07 0.56 -0.07 -1.51 0.00 0.00 179.97 178.86 2pyx h LEU 492 N -0.11 1.11 -0.40 3.80 3.38 -0.64 -0.22 115.31 122.23 2pyx h LEU 492 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pyx h LEU 492 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2pyx h LEU 492 CO -0.06 0.85 0.25 -0.26 0.09 0.00 0.00 178.44 179.30 2pyx h PHE 493 N 1.27 0.51 -0.54 1.13 0.04 -0.67 -0.93 116.94 117.75 2pyx h PHE 493 Ca 0.33 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.13 2pyx h PHE 493 Cb -0.06 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 2pyx h PHE 493 CO 0.00 0.35 0.33 -0.91 -0.60 0.00 0.00 178.31 177.48 2pyx h ASN 494 N 0.53 0.54 -0.77 2.17 -0.26 -0.80 -1.81 115.58 115.18 2pyx h ASN 494 Ca 0.14 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.83 2pyx h ASN 494 Cb -0.02 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 2pyx h ASN 494 CO -0.03 0.38 0.26 0.44 -1.06 0.00 0.00 177.43 177.43 2pyx h ASP 495 N 0.66 1.10 -0.67 5.81 3.32 -0.83 -0.66 116.42 125.14 2pyx h ASP 495 Ca 0.21 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2pyx h ASP 495 Cb -0.00 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2pyx h ASP 495 CO -0.08 1.00 0.30 -1.13 -1.72 0.00 0.00 179.24 177.61 2pyx h ASN 496 N 1.14 0.90 -0.54 6.45 -1.24 -0.97 -0.77 115.58 120.56 2pyx h ASN 496 Ca 0.25 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2pyx h ASN 496 Cb 0.28 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2pyx h ASN 496 CO -0.01 0.80 0.31 -0.61 -1.29 0.00 0.00 177.43 176.63 2pyx h GLN 497 N 0.94 0.74 -0.50 6.67 4.15 -0.75 -0.16 115.11 126.20 2pyx h GLN 497 Ca 0.23 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.47 2pyx h GLN 497 Cb 0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2pyx h GLN 497 CO -0.02 0.55 -0.10 1.96 -1.93 0.00 0.00 178.83 179.28 2pyx h GLN 498 N 0.72 0.95 -0.49 1.69 4.20 -0.88 -1.84 115.11 119.46 2pyx h GLN 498 Ca 0.19 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 2pyx h GLN 498 Cb 0.01 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2pyx h GLN 498 CO -0.03 1.02 0.18 -0.09 -0.67 0.00 0.00 178.83 179.23 2pyx h ARG 499 N 0.81 0.75 -0.37 1.46 2.43 -0.96 -1.20 114.38 117.30 2pyx h ARG 499 Ca 0.13 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2pyx h ARG 499 Cb 0.66 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 2pyx h ARG 499 CO 0.05 0.69 0.07 1.15 -1.51 0.00 0.00 179.97 180.41 2pyx h THR 500 N 0.66 0.81 -0.54 0.20 2.02 -0.88 -0.62 112.91 114.56 2pyx h THR 500 Ca 0.16 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2pyx h THR 500 Cb 0.23 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2pyx h THR 500 CO -0.01 0.04 0.28 -0.61 0.37 0.00 0.00 175.52 175.58 2pyx h GLN 501 N 0.20 0.77 -0.16 6.66 5.75 -1.06 0.02 115.11 127.29 2pyx h GLN 501 Ca 0.18 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2pyx h GLN 501 Cb 0.20 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2pyx h GLN 501 CO -0.23 0.62 0.04 0.00 -2.65 0.00 0.00 178.83 176.61 2pyx h ALA 502 N 1.11 0.22 -0.31 3.38 0.00 -0.90 -2.78 119.26 119.98 2pyx h ALA 502 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2pyx h ALA 502 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2pyx h ALA 502 CO -0.03 -0.15 -0.06 -0.07 0.00 0.00 0.00 179.25 178.95 2pyx h LEU 503 N 0.07 0.47 -2.14 0.00 3.38 -0.96 -2.43 115.31 113.70 2pyx h LEU 503 Ca 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2pyx h LEU 503 Cb 0.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pyx h LEU 503 CO 0.00 0.58 -0.07 0.77 0.09 0.00 0.00 178.44 179.81 2pyx h SER 504 N 0.47 0.00 0.62 -0.43 4.64 -0.71 -1.70 113.55 116.44 2pyx h SER 504 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2pyx h SER 504 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2pyx h SER 504 CO 0.02 0.07 -0.78 0.29 -0.87 0.00 0.00 176.83 175.56 2pyx n LYS 505 N -3.68 0.25 -0.01 4.77 5.02 -0.93 -4.55 118.16 119.03 2pyx n LYS 505 Ca -0.02 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2pyx n LYS 505 Cb 0.18 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 2pyx n LYS 505 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2pyx n ASN 506 N -1.96 4.34 -4.80 4.39 3.02 -0.76 -5.04 115.26 114.46 2pyx n ASN 506 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 2pyx n ASN 506 Cb 0.42 0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 40.44 2pyx n ASN 506 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pyx s LEU 507 N -3.59 4.16 0.65 3.41 1.43 -0.71 -5.03 118.68 119.00 2pyx s LEU 507 Ca -0.01 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 2pyx s LEU 507 Cb 0.01 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 2pyx s LEU 507 CO 0.12 -0.19 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 2pyx s PRO 508 N -2.57 3.28 0.82 1.29 0.04 -1.26 -4.84 135.00 131.76 2pyx s PRO 508 Ca 0.55 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 2pyx s PRO 508 Cb -0.14 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.41 2pyx s PRO 508 CO 0.19 -0.74 1.09 0.95 0.04 0.00 0.00 177.00 178.53 2pyx s THR 509 N -3.23 3.03 0.14 1.26 -4.23 -1.26 -0.17 115.64 111.17 2pyx s THR 509 Ca 0.56 0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 61.23 2pyx s THR 509 Cb -0.11 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 2pyx s THR 509 CO 0.52 -0.44 1.78 0.78 -0.54 0.00 0.00 174.62 176.73 2pyx h ASN 510 N -1.32 0.28 -0.42 3.99 2.35 -1.76 -1.65 115.58 117.05 2pyx h ASN 510 Ca -0.45 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.24 2pyx h ASN 510 Cb 1.25 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 2pyx h ASN 510 CO 0.51 0.20 0.02 -0.09 -1.65 0.00 0.00 177.43 176.43 2pyx h ARG 511 N 0.35 0.72 -0.60 0.81 2.43 -1.88 -0.28 114.38 115.93 2pyx h ARG 511 Ca 0.12 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2pyx h ARG 511 Cb 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2pyx h ARG 511 CO -0.06 0.79 0.35 1.05 -1.51 0.00 0.00 179.97 180.59 2pyx h GLU 512 N 0.56 0.82 -0.01 0.20 4.11 -1.90 0.18 114.58 118.54 2pyx h GLU 512 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 2pyx h GLU 512 Cb 0.45 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2pyx h GLU 512 CO 0.02 0.59 -0.01 1.25 0.07 0.00 0.00 179.01 180.93 2pyx h LEU 513 N 0.83 0.02 -1.44 3.06 5.85 -1.03 -3.01 115.31 119.59 2pyx h LEU 513 Ca 0.22 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2pyx h LEU 513 Cb -0.01 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2pyx h LEU 513 CO -0.04 0.49 0.27 -0.07 -0.34 0.00 0.00 178.44 178.75 2pyx h LEU 514 N -0.46 0.57 -0.69 2.25 3.38 -0.77 0.99 115.31 120.59 2pyx h LEU 514 Ca 0.00 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2pyx h LEU 514 Cb 0.49 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2pyx h LEU 514 CO 0.00 0.46 0.43 0.44 0.09 0.00 0.00 178.44 179.86 2pyx h ASP 515 N 0.66 0.69 0.71 -0.43 3.32 -0.94 -0.69 116.42 119.74 2pyx h ASP 515 Ca 0.17 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 2pyx h ASP 515 Cb 0.01 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2pyx h ASP 515 CO -0.03 0.47 -0.75 0.11 -1.72 0.00 0.00 179.24 177.32 2pyx h LYS 516 N 0.83 0.03 -0.69 3.56 1.79 -1.12 -2.56 116.57 118.41 2pyx h LYS 516 Ca 0.28 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.66 2pyx h LYS 516 Cb 0.04 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 2pyx h LYS 516 CO -0.12 0.77 0.21 0.28 -1.08 0.00 0.00 179.45 179.51 2pyx h VAL 517 N 0.02 1.25 -0.64 0.50 2.07 -0.49 0.19 116.25 119.14 2pyx h VAL 517 Ca -0.01 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2pyx h VAL 517 Cb 1.33 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2pyx h VAL 517 CO 0.10 0.35 0.27 0.00 0.02 0.00 0.00 177.57 178.30 2pyx h ALA 518 N 1.19 0.84 0.16 1.67 0.00 -1.01 -2.40 119.26 119.71 2pyx h ALA 518 Ca 0.22 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.62 2pyx h ALA 518 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pyx h ALA 518 CO -0.01 0.44 -1.76 0.37 0.00 0.00 0.00 179.25 178.30 2pyx h GLN 519 N 0.90 0.34 0.00 0.00 4.15 -1.23 -3.43 115.11 115.84 2pyx h GLN 519 Ca 0.22 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 59.06 2pyx h GLN 519 Cb 0.19 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2pyx h GLN 519 CO -0.02 1.24 -0.91 0.66 -1.93 0.00 0.00 178.83 177.87 2pyx n TYR 520 N -3.53 0.00 0.00 3.99 4.01 0.59 -5.10 117.16 117.12 2pyx n TYR 520 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2pyx n TYR 520 Cb 1.07 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 2pyx n TYR 520 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pyx n GLY 521 N 3.26 0.02 3.78 2.72 0.00 -0.78 -4.95 105.19 109.24 2pyx n GLY 521 Ca 0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 2pyx n GLY 521 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pyx s PHE 522 N -2.95 2.89 0.66 1.61 0.08 -1.26 -4.87 117.98 114.15 2pyx s PHE 522 Ca 0.00 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.45 2pyx s PHE 522 Cb 0.00 -3.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 2pyx s PHE 522 CO 0.00 -1.34 1.12 -1.25 -0.10 0.00 0.00 175.22 173.65 2pyx s PRO 523 N -2.85 2.73 0.23 0.24 0.04 -1.26 -4.68 135.00 129.46 2pyx s PRO 523 Ca 0.65 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2pyx s PRO 523 Cb -0.26 -1.94 0.25 0.00 0.04 0.00 0.00 34.50 32.59 2pyx s PRO 523 CO 0.31 -1.31 1.71 1.57 0.04 0.00 0.00 177.00 179.31 2pyx h LYS 524 N 0.03 0.85 -0.01 4.56 -0.00 -1.96 -0.25 116.57 119.78 2pyx h LYS 524 Ca -0.47 -0.26 0.00 0.00 -0.00 0.00 0.00 60.65 59.92 2pyx h LYS 524 Cb 1.25 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 2pyx h LYS 524 CO 0.54 0.88 0.00 1.47 -0.00 0.00 0.00 179.45 182.34