#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 -1.82 1.61 3.00 -1.26 -4.98 117.38 113.93 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 -3.25 -0.03 0.00 0.00 0.00 0.00 30.24 26.96 2pyx n GLN 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2pyx s LYS 4 N -0.36 4.16 0.48 -1.09 2.20 -1.26 -4.84 119.74 119.03 2pyx s LYS 4 Ca 0.00 2.50 -0.23 0.00 -0.36 0.00 0.00 55.97 57.88 2pyx s LYS 4 Cb 0.00 -3.11 -0.08 0.00 -1.51 0.00 0.00 37.83 33.13 2pyx s LYS 4 CO 0.00 -0.69 1.18 -2.30 -0.36 0.00 0.00 175.35 173.18 2pyx n PRO 5 N 4.00 1.58 -2.75 4.03 -0.02 -1.26 -4.32 135.00 136.26 2pyx n PRO 5 Ca 0.15 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 2pyx n PRO 5 Cb 0.37 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.29 4.29 0.00 4.25 1.01 -1.09 -4.76 121.20 123.61 2pyx s ILE 6 Ca 0.66 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.91 2pyx s ILE 6 Cb -0.48 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.41 2pyx s ILE 6 CO 0.54 -1.12 0.00 0.35 0.00 0.00 0.00 174.94 174.71 2pyx n THR 7 N 6.41 0.00 -3.36 2.92 -2.24 -1.26 -4.96 114.28 111.79 2pyx n THR 7 Ca 0.05 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.38 2pyx n THR 7 Cb 0.48 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.31 2.99 -0.21 -0.78 0.41 -1.26 -0.39 118.70 118.15 2pyx s GLU 8 Ca 0.00 -1.45 -0.03 0.00 -0.41 0.00 0.00 54.97 53.08 2pyx s GLU 8 Cb 0.00 -4.18 -0.01 0.00 -1.78 0.00 0.00 34.13 28.16 2pyx s GLU 8 CO 0.00 -1.12 -0.06 0.42 -0.49 0.00 0.00 175.26 174.00 2pyx s ILE 9 N 1.66 3.26 -0.21 -1.63 -1.09 -0.53 -0.78 121.20 121.88 2pyx s ILE 9 Ca 0.04 -0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2pyx s ILE 9 Cb -0.26 -2.47 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 2pyx s ILE 9 CO 0.06 0.44 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.52 2pyx s ILE 10 N 1.36 3.30 -0.25 2.92 -1.09 -0.37 -1.30 121.20 125.78 2pyx s ILE 10 Ca 0.04 -0.52 -0.09 0.00 -2.23 0.00 0.00 60.65 57.85 2pyx s ILE 10 Cb -0.14 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 2pyx s ILE 10 CO -0.03 0.44 0.12 -0.63 -1.23 0.00 0.00 174.94 173.61 2pyx s ILE 11 N 1.34 4.86 -0.42 2.92 1.01 0.22 -0.40 121.20 130.73 2pyx s ILE 11 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 2pyx s ILE 11 Cb -0.14 -3.27 0.08 0.00 0.01 0.00 0.00 42.46 39.13 2pyx s ILE 11 CO -0.03 0.33 0.25 -0.69 0.00 0.00 0.00 174.94 174.81 2pyx s VAL 12 N 1.38 4.19 0.00 2.92 1.01 0.21 -0.86 120.40 129.25 2pyx s VAL 12 Ca 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2pyx s VAL 12 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2pyx s VAL 12 CO 0.06 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.26 2pyx n GLY 13 N 4.90 3.07 0.00 4.51 0.00 0.58 -0.33 105.19 117.93 2pyx n GLY 13 Ca -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.54 0.58 7.00 -0.02 0.00 -1.26 -4.17 105.19 107.86 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 -1.21 0.28 -0.02 0.00 -1.26 -1.35 105.19 106.63 2pyx n GLY 15 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 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 1.26 0.11 2.61 1.35 -1.94 -1.80 112.91 114.50 2pyx h THR 16 Ca 0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2pyx h THR 16 Cb 0.00 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 2pyx h THR 16 CO 0.00 0.40 -0.10 0.00 -0.25 0.00 0.00 175.52 175.57 2pyx h ALA 17 N 1.13 -0.20 -0.28 6.62 0.00 -1.91 -0.90 119.26 123.72 2pyx h ALA 17 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2pyx h ALA 17 Cb 0.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pyx h ALA 17 CO 0.04 -0.63 -0.15 0.78 0.00 0.00 0.00 179.25 179.29 2pyx h GLY 18 N -0.23 0.65 1.59 0.00 0.00 -1.13 -2.77 103.07 101.18 2pyx h GLY 18 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 47.33 46.50 2pyx h GLY 18 CO -0.03 0.54 -1.03 1.49 0.00 0.00 0.00 176.54 177.51 2pyx h TRP 19 N 0.34 0.55 -0.86 5.60 4.06 -1.34 -0.55 115.95 123.76 2pyx h TRP 19 Ca 0.06 -0.33 -0.02 0.00 2.06 0.00 0.00 58.89 60.67 2pyx h TRP 19 Cb 0.67 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.74 2pyx h TRP 19 CO 0.06 1.18 0.47 0.82 -3.56 0.00 0.00 178.44 177.41 2pyx h ILE 20 N 0.17 1.25 -0.03 1.49 2.04 -1.25 -0.83 117.51 120.36 2pyx h ILE 20 Ca -0.09 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2pyx h ILE 20 Cb 1.69 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2pyx h ILE 20 CO 0.17 0.28 0.02 0.74 0.00 0.00 0.00 178.15 179.36 2pyx h THR 21 N 1.21 1.04 -0.50 -0.27 2.02 -1.30 -0.68 112.91 114.43 2pyx h THR 21 Ca 0.30 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.40 2pyx h THR 21 Cb 0.03 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2pyx h THR 21 CO -0.05 0.03 0.31 0.00 0.37 0.00 0.00 175.52 176.18 2pyx h ALA 22 N 0.98 0.63 -0.45 6.16 0.00 -0.96 -1.51 119.26 124.11 2pyx h ALA 22 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2pyx h ALA 22 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2pyx h ALA 22 CO -0.00 0.02 -0.00 0.78 0.00 0.00 0.00 179.25 180.05 2pyx h GLY 23 N 0.62 0.86 0.98 0.00 0.00 -1.01 -0.94 103.07 103.58 2pyx h GLY 23 Ca 0.19 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 2pyx h GLY 23 CO -0.07 0.58 -0.11 1.41 0.00 0.00 0.00 176.54 178.35 2pyx h LEU 24 N 0.64 0.77 0.04 3.11 3.38 -0.98 -0.41 115.31 121.86 2pyx h LEU 24 Ca 0.13 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2pyx h LEU 24 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pyx h LEU 24 CO 0.02 0.96 -0.02 -0.07 0.09 0.00 0.00 178.44 179.43 2pyx h LEU 25 N 0.57 -0.04 -0.29 1.67 3.38 -1.23 -1.80 115.31 117.56 2pyx h LEU 25 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2pyx h LEU 25 Cb 0.63 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2pyx h LEU 25 CO 0.04 -0.01 0.13 0.00 0.09 0.00 0.00 178.44 178.70 2pyx h ALA 26 N 0.89 0.38 -0.66 1.53 0.00 -1.07 -2.22 119.26 118.11 2pyx h ALA 26 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2pyx h ALA 26 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2pyx h ALA 26 CO 0.01 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.47 2pyx h ALA 27 N 0.98 1.20 -0.21 0.00 0.00 -1.08 0.17 119.26 120.33 2pyx h ALA 27 Ca 0.10 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2pyx h ALA 27 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2pyx h ALA 27 CO -0.01 0.58 -0.53 1.49 0.00 0.00 0.00 179.25 180.77 2pyx h GLU 28 N 0.96 0.61 0.00 0.00 4.57 -1.14 -3.33 114.58 116.25 2pyx h GLU 28 Ca 0.22 -0.38 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 2pyx h GLU 28 Cb 0.20 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2pyx h GLU 28 CO -0.02 0.99 -1.68 0.72 -1.18 0.00 0.00 179.01 177.84 2pyx n HIS 29 N -3.97 0.00 0.38 0.92 8.25 -0.85 -4.76 115.22 115.18 2pyx n HIS 29 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 2pyx n HIS 29 Cb 0.60 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.24 0.95 -3.98 0.41 3.02 0.60 -4.36 115.26 109.65 2pyx n ASN 30 Ca -0.13 -0.97 -0.20 0.00 -0.03 0.00 0.00 54.58 53.25 2pyx n ASN 30 Cb 0.68 0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 40.27 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 -1.34 0.73 -0.09 2.41 1.01 -1.15 -0.97 120.40 120.99 2pyx s VAL 31 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2pyx s VAL 31 Cb 0.07 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2pyx s VAL 31 CO 0.24 0.24 -0.08 -0.62 0.00 0.00 0.00 175.10 174.88 2pyx s ASP 32 N 0.37 1.95 -1.49 3.32 2.15 -0.25 -4.76 116.67 117.95 2pyx s ASP 32 Ca -0.06 -0.27 -0.10 0.00 0.43 0.00 0.00 52.55 52.55 2pyx s ASP 32 Cb -0.10 -0.78 0.07 0.00 -0.30 0.00 0.00 42.92 41.81 2pyx s ASP 32 CO 0.01 -0.09 0.84 0.29 -0.17 0.00 0.00 175.17 176.05 2pyx n LYS 33 N 4.65 -4.90 -0.83 4.34 4.76 -1.26 -0.85 118.16 124.07 2pyx n LYS 33 Ca -0.15 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2pyx n LYS 33 Cb 0.50 -5.28 0.00 0.00 -1.84 0.00 0.00 35.03 28.41 2pyx n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pyx n GLY 34 N -1.66 0.95 3.58 0.72 0.00 -1.26 -5.00 105.19 102.52 2pyx n GLY 34 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.36 4.71 0.05 1.61 1.01 -0.03 -5.07 120.40 119.33 2pyx s VAL 35 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2pyx s VAL 35 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2pyx s VAL 35 CO 0.00 0.41 1.07 -0.22 0.00 0.00 0.00 175.10 176.36 2pyx s LEU 36 N 0.80 4.40 0.45 3.92 2.96 -1.26 -1.09 118.68 128.86 2pyx s LEU 36 Ca 0.04 1.85 -0.25 0.00 -0.22 0.00 0.00 54.13 55.56 2pyx s LEU 36 Cb -0.13 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2pyx s LEU 36 CO 0.02 -0.31 1.31 0.00 -1.32 0.00 0.00 176.35 176.05 2pyx s ALA 37 N 0.78 3.13 0.23 5.97 0.00 -0.15 -4.94 121.76 126.78 2pyx s ALA 37 Ca 0.54 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.70 2pyx s ALA 37 Cb -0.25 -3.50 0.25 0.00 0.00 0.00 0.00 23.12 19.62 2pyx s ALA 37 CO 0.29 -0.95 1.67 0.45 0.00 0.00 0.00 175.76 177.23 2pyx h HIS 38 N 2.29 0.83 -3.06 0.00 3.86 -1.95 -3.32 115.15 113.81 2pyx h HIS 38 Ca -0.50 -0.17 -0.62 0.00 -1.16 0.00 0.00 60.37 57.92 2pyx h HIS 38 Cb 1.26 -0.21 -0.41 0.00 1.06 0.00 0.00 27.41 29.11 2pyx h HIS 38 CO 0.51 0.86 -0.63 0.45 0.86 0.00 0.00 177.93 179.98 2pyx s SER 39 N -6.73 4.34 0.67 2.45 0.15 -1.26 -5.10 113.70 108.22 2pyx s SER 39 Ca -0.09 -3.55 -0.11 0.00 0.70 0.00 0.00 55.95 52.90 2pyx s SER 39 Cb 0.14 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.95 2pyx s SER 39 CO 0.82 -0.13 1.05 -2.16 1.20 0.00 0.00 173.24 174.03 2pyx s PRO 40 N -0.99 3.19 0.04 5.44 0.04 -1.25 -4.97 135.00 136.50 2pyx s PRO 40 Ca 0.24 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 2pyx s PRO 40 Cb -0.09 -2.03 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 2pyx s PRO 40 CO -0.13 -0.86 1.49 -0.22 0.04 0.00 0.00 177.00 177.32 2pyx h LYS 41 N -0.54 0.13 -5.91 4.56 3.64 -1.91 -3.44 116.57 113.10 2pyx h LYS 41 Ca -0.44 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.23 2pyx h LYS 41 Cb 1.21 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.91 2pyx h LYS 41 CO 0.61 0.36 -0.57 -0.51 -2.27 0.00 0.00 179.45 177.07 2pyx s LEU 42 N -9.62 3.90 -0.41 5.20 1.43 -1.26 -4.75 118.68 113.16 2pyx s LEU 42 Ca -0.14 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2pyx s LEU 42 Cb 0.05 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.31 2pyx s LEU 42 CO 0.69 0.34 0.21 0.20 0.23 0.00 0.00 176.35 178.02 2pyx s ASN 43 N -1.26 5.34 -0.22 2.29 0.01 0.48 -5.01 114.94 116.57 2pyx s ASN 43 Ca 0.18 -1.84 -0.07 0.00 -0.71 0.00 0.00 52.86 50.41 2pyx s ASN 43 Cb -0.12 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.64 2pyx s ASN 43 CO 0.07 -0.53 0.07 -0.63 -1.51 0.00 0.00 177.10 174.58 2pyx s ILE 44 N 1.23 4.57 -0.08 0.60 1.01 -1.26 -1.46 121.20 125.81 2pyx s ILE 44 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2pyx s ILE 44 Cb -0.23 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2pyx s ILE 44 CO -0.02 0.39 -0.19 -0.89 0.00 0.00 0.00 174.94 174.22 2pyx s THR 45 N 1.08 1.67 -0.18 2.92 2.01 -0.42 -1.24 115.64 121.47 2pyx s THR 45 Ca 0.04 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2pyx s THR 45 Cb -0.14 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2pyx s THR 45 CO 0.03 0.47 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.17 2pyx s LEU 46 N 0.47 3.02 -0.29 4.42 0.20 0.77 -0.61 118.68 126.66 2pyx s LEU 46 Ca -0.17 -0.28 -0.06 0.00 0.69 0.00 0.00 54.13 54.31 2pyx s LEU 46 Cb -0.17 -1.74 0.01 0.00 -0.43 0.00 0.00 46.19 43.86 2pyx s LEU 46 CO 0.07 0.08 0.07 -0.63 -0.29 0.00 0.00 176.35 175.64 2pyx s ILE 47 N 0.90 3.89 -0.10 6.68 1.01 -0.04 -1.10 121.20 132.43 2pyx s ILE 47 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2pyx s ILE 47 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2pyx s ILE 47 CO 0.01 0.11 0.02 -0.70 0.00 0.00 0.00 174.94 174.38 2pyx s GLU 48 N 1.49 3.16 0.18 2.79 2.12 0.42 -0.31 118.70 128.56 2pyx s GLU 48 Ca 0.03 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 2pyx s GLU 48 Cb -0.17 -2.88 -0.08 0.00 0.26 0.00 0.00 34.13 31.26 2pyx s GLU 48 CO 0.02 0.64 1.12 0.45 -0.54 0.00 0.00 175.26 176.95 2pyx s SER 49 N -0.70 7.22 0.11 -1.70 0.15 -1.26 -1.47 113.70 116.05 2pyx s SER 49 Ca 0.11 2.13 0.17 0.00 0.70 0.00 0.00 55.95 59.06 2pyx s SER 49 Cb -0.12 -2.61 0.74 0.00 -1.71 0.00 0.00 66.02 62.33 2pyx s SER 49 CO 0.02 -0.25 1.54 -2.65 1.20 0.00 0.00 173.24 173.09 2pyx n PRO 50 N 2.36 0.08 -1.65 5.44 -0.02 -1.26 -4.83 135.00 135.12 2pyx n PRO 50 Ca 0.03 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 2pyx n PRO 50 Cb 0.46 -1.66 0.06 0.00 -0.02 0.00 0.00 33.50 32.34 2pyx n PRO 50 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pyx n ASP 51 N -1.81 1.29 -4.68 2.55 8.00 -1.26 -4.92 116.55 115.73 2pyx n ASP 51 Ca 0.03 0.80 -0.42 0.00 0.71 0.00 0.00 54.79 55.90 2pyx n ASP 51 Cb 0.18 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.79 2pyx n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pyx s VAL 52 N -1.48 4.18 0.55 2.53 1.01 -1.26 -5.00 120.40 120.92 2pyx s VAL 52 Ca 0.79 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 64.07 2pyx s VAL 52 Cb -0.39 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2pyx s VAL 52 CO 0.44 -0.05 1.14 0.00 0.00 0.00 0.00 175.10 176.63 2pyx s ALA 53 N 2.68 2.68 0.47 5.51 0.00 -1.26 -5.01 121.76 126.83 2pyx s ALA 53 Ca 0.57 0.84 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 2pyx s ALA 53 Cb -0.25 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 2pyx s ALA 53 CO 0.20 -0.81 1.40 0.99 0.00 0.00 0.00 175.76 177.54 2pyx s THR 54 N -1.75 2.12 -0.14 0.00 2.01 -1.26 -5.00 115.64 111.62 2pyx s THR 54 Ca 0.73 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.72 2pyx s THR 54 Cb -0.25 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 2pyx s THR 54 CO 0.28 0.01 0.24 0.27 -0.69 0.00 0.00 174.62 174.72 2pyx s ILE 55 N -1.23 5.34 0.72 1.82 -0.00 -1.26 -5.06 121.20 121.53 2pyx s ILE 55 Ca 0.63 0.43 0.01 0.00 -0.00 0.00 0.00 60.65 61.71 2pyx s ILE 55 Cb -0.42 -3.55 0.13 0.00 -0.00 0.00 0.00 42.46 38.62 2pyx s ILE 55 CO 0.54 0.48 0.99 -0.83 -0.00 0.00 0.00 174.94 176.11 2pyx s GLY 56 N -0.10 1.75 -0.06 6.27 0.00 -1.26 -5.05 107.32 108.87 2pyx s GLY 56 Ca 0.15 -1.85 0.09 0.00 0.00 0.00 0.00 44.72 43.11 2pyx s GLY 56 CO 0.04 -1.26 1.03 3.33 0.00 0.00 0.00 173.10 176.23 2pyx n VAL 57 N -2.80 1.13 0.00 1.40 0.24 -1.26 -5.02 118.33 112.02 2pyx n VAL 57 Ca 0.16 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 2pyx n VAL 57 Cb 0.61 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.80 3.61 3.10 7.63 0.00 -1.26 -3.69 105.19 113.78 2pyx n GLY 58 Ca 0.08 -1.58 -0.09 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 -4.52 0.57 0.26 1.61 2.12 0.12 -4.96 118.70 113.89 2pyx s GLU 59 Ca 0.00 -0.79 0.09 0.00 0.36 0.00 0.00 54.97 54.62 2pyx s GLU 59 Cb 0.00 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2pyx s GLU 59 CO 0.00 -0.14 0.07 0.20 -0.54 0.00 0.00 175.26 174.85 2pyx s GLY 60 N -2.16 1.57 0.31 -1.50 0.00 -1.26 -0.68 107.32 103.60 2pyx s GLY 60 Ca -0.05 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.15 2pyx s GLY 60 CO -0.05 -1.62 0.04 -0.51 0.00 0.00 0.00 173.10 170.96 2pyx s THR 61 N -2.24 1.21 0.51 0.90 -4.23 0.01 -4.69 115.64 107.11 2pyx s THR 61 Ca 0.32 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2pyx s THR 61 Cb -0.07 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.09 2pyx s THR 61 CO 0.22 -0.07 0.73 0.26 -0.54 0.00 0.00 174.62 175.21 2pyx s TRP 62 N -3.29 2.97 0.64 3.99 0.52 -1.26 -4.17 118.94 118.35 2pyx s TRP 62 Ca 0.35 0.03 0.37 0.00 0.02 0.00 0.00 56.10 56.88 2pyx s TRP 62 Cb 0.08 -2.59 2.08 0.00 -1.15 0.00 0.00 33.47 31.89 2pyx s TRP 62 CO 0.14 -0.68 2.24 -1.35 0.02 0.00 0.00 176.95 177.32 2pyx h PRO 63 N 0.22 0.00 -2.44 4.98 0.11 -1.94 -3.40 132.00 129.53 2pyx h PRO 63 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.53 0.00 0.10 -1.13 -0.21 0.00 0.00 178.00 177.29 2pyx n SER 64 N -3.30 0.00 0.00 -2.05 3.41 -1.26 -4.01 113.62 106.42 2pyx n SER 64 Ca -0.02 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2pyx n SER 64 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.78 0.00 -0.11 4.33 1.74 -1.26 -1.12 116.66 122.01 2pyx n ARG 66 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2pyx n ARG 66 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 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 0.86 -0.16 0.55 0.02 -1.95 -1.82 113.55 111.05 2pyx h SER 67 Ca 0.00 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2pyx h SER 67 Cb 0.00 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2pyx h SER 67 CO 0.00 1.13 0.01 0.74 -1.14 0.00 0.00 176.83 177.57 2pyx h THR 68 N 0.60 0.90 -0.65 -2.27 2.02 -1.46 0.91 112.91 112.96 2pyx h THR 68 Ca 0.06 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2pyx h THR 68 Cb 0.86 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 2pyx h THR 68 CO 0.07 0.01 0.40 -0.07 0.37 0.00 0.00 175.52 176.31 2pyx h LEU 69 N 0.06 0.65 -0.36 2.58 3.38 -1.82 -1.25 115.31 118.56 2pyx h LEU 69 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2pyx h LEU 69 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2pyx h LEU 69 CO -0.12 0.45 0.16 -1.28 0.09 0.00 0.00 178.44 177.74 2pyx h SER 70 N 0.78 0.48 -0.71 -0.43 0.87 -0.95 -0.50 113.55 113.09 2pyx h SER 70 Ca 0.26 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2pyx h SER 70 Cb 0.02 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2pyx h SER 70 CO -0.11 0.50 0.23 0.11 -0.53 0.00 0.00 176.83 177.02 2pyx h LYS 71 N 0.43 1.12 -0.30 2.24 1.57 -0.60 -2.47 116.57 118.57 2pyx h LYS 71 Ca 0.12 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2pyx h LYS 71 Cb 0.16 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2pyx h LYS 71 CO -0.01 0.95 -0.21 0.82 -0.57 0.00 0.00 179.45 180.43 2pyx h ILE 72 N 1.08 1.26 0.00 1.86 2.04 -1.04 -3.46 117.51 119.25 2pyx h ILE 72 Ca 0.23 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2pyx h ILE 72 Cb 0.30 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2pyx h ILE 72 CO -0.01 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.15 2pyx n GLY 73 N -0.42 1.50 3.76 5.37 0.00 -0.30 -4.90 105.19 110.21 2pyx n GLY 73 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.43 0.06 -0.61 -1.09 -0.58 -5.02 121.20 116.38 2pyx s ILE 74 Ca 0.00 1.76 -0.26 0.00 -2.23 0.00 0.00 60.65 59.91 2pyx s ILE 74 Cb 0.00 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 2pyx s ILE 74 CO 0.00 0.47 0.82 -0.62 -1.23 0.00 0.00 174.94 174.39 2pyx s ASP 75 N -0.83 7.29 0.29 3.58 -1.08 -1.26 -4.51 116.67 120.15 2pyx s ASP 75 Ca 0.38 1.54 -0.00 0.00 -0.52 0.00 0.00 52.55 53.95 2pyx s ASP 75 Cb -0.23 -2.50 0.44 0.00 -1.46 0.00 0.00 42.92 39.17 2pyx s ASP 75 CO 0.26 -0.02 1.84 -0.08 0.52 0.00 0.00 175.17 177.69 2pyx h GLU 76 N 5.71 0.77 -0.21 4.34 4.81 -1.96 -0.75 114.58 127.29 2pyx h GLU 76 Ca -0.43 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 2pyx h GLU 76 Cb 1.21 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2pyx h GLU 76 CO 0.71 0.71 0.11 -0.91 -0.73 0.00 0.00 179.01 178.90 2pyx h ASN 77 N 0.74 0.26 -0.46 1.04 2.35 -1.94 -0.95 115.58 116.62 2pyx h ASN 77 Ca 0.16 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2pyx h ASN 77 Cb 0.30 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 2pyx h ASN 77 CO 0.00 0.29 0.18 0.44 -1.65 0.00 0.00 177.43 176.69 2pyx h ASP 78 N 0.22 0.21 0.11 5.81 3.32 -1.84 -0.96 116.42 123.28 2pyx h ASP 78 Ca 0.07 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2pyx h ASP 78 Cb 0.09 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2pyx h ASP 78 CO -0.01 0.16 -0.15 0.15 -1.72 0.00 0.00 179.24 177.66 2pyx h PHE 79 N 0.37 -0.40 -0.51 4.55 3.57 -1.00 -0.23 116.94 123.29 2pyx h PHE 79 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2pyx h PHE 79 Cb 0.19 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2pyx h PHE 79 CO -0.14 -0.23 0.22 0.82 -2.23 0.00 0.00 178.31 176.75 2pyx h ILE 80 N -0.31 1.21 -0.27 1.41 2.04 -1.03 -1.09 117.51 119.46 2pyx h ILE 80 Ca 0.02 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2pyx h ILE 80 Cb 0.32 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2pyx h ILE 80 CO -0.07 0.24 -0.19 0.03 0.00 0.00 0.00 178.15 178.16 2pyx h ARG 81 N 0.69 0.49 0.00 2.37 3.08 -1.07 -3.12 114.38 116.81 2pyx h ARG 81 Ca 0.17 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2pyx h ARG 81 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2pyx h ARG 81 CO -0.02 0.66 -1.68 1.04 -1.07 0.00 0.00 179.97 178.90 2pyx n GLN 82 N -4.16 0.52 -0.27 0.04 6.02 -0.11 -4.47 117.38 114.96 2pyx n GLN 82 Ca 0.00 -0.13 0.07 0.00 -0.01 0.00 0.00 57.00 56.94 2pyx n GLN 82 Cb 0.37 -1.55 0.18 0.00 1.02 0.00 0.00 30.24 30.26 2pyx n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pyx n ASP 84 N -0.40 -3.58 -4.89 0.00 8.00 -1.23 -1.68 116.55 112.77 2pyx n ASP 84 Ca 0.16 -0.83 -0.31 0.00 0.71 0.00 0.00 54.79 54.51 2pyx n ASP 84 Cb 0.66 -3.74 -0.05 0.00 -0.02 0.00 0.00 41.12 37.97 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 -3.43 3.72 0.28 2.24 0.00 -1.18 -4.22 121.76 119.18 2pyx s ALA 85 Ca 0.49 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2pyx s ALA 85 Cb -0.25 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 2pyx s ALA 85 CO 0.84 0.60 0.11 -1.54 0.00 0.00 0.00 175.76 175.78 2pyx s SER 86 N -2.45 1.41 -0.02 0.00 1.04 0.10 -4.60 113.70 109.18 2pyx s SER 86 Ca 0.43 -1.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.23 2pyx s SER 86 Cb -0.12 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 2pyx s SER 86 CO 0.24 -0.78 0.54 -0.36 0.98 0.00 0.00 173.24 173.86 2pyx s PHE 87 N -3.67 3.66 -0.16 5.02 0.08 -1.26 -0.90 117.98 120.75 2pyx s PHE 87 Ca 0.37 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.52 2pyx s PHE 87 Cb 0.07 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 2pyx s PHE 87 CO 0.15 0.38 -0.16 0.21 -0.10 0.00 0.00 175.22 175.69 2pyx s LYS 88 N -0.23 3.15 0.00 0.44 2.20 0.21 -4.61 119.74 120.89 2pyx s LYS 88 Ca 0.29 -0.77 0.14 0.00 -0.36 0.00 0.00 55.97 55.27 2pyx s LYS 88 Cb -0.17 -2.61 0.35 0.00 -1.51 0.00 0.00 37.83 33.88 2pyx s LYS 88 CO 0.15 -0.06 1.27 1.04 -0.36 0.00 0.00 175.35 177.39 2pyx n GLN 89 N 4.25 2.49 -0.96 4.03 6.02 0.05 -0.48 117.38 132.77 2pyx n GLN 89 Ca -0.20 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 2pyx n GLN 89 Cb 0.51 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.43 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 0.86 0.60 3.11 1.08 0.00 -1.26 -1.21 105.19 108.37 2pyx n GLY 90 Ca 0.14 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 2.20 -0.21 1.61 0.01 -0.61 -1.52 113.70 111.18 2pyx s SER 91 Ca 0.00 -0.37 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 2pyx s SER 91 Cb 0.00 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 2pyx s SER 91 CO 0.00 0.11 0.05 -0.60 0.41 0.00 0.00 173.24 173.21 2pyx s ARG 92 N 0.34 3.77 -0.26 12.44 3.52 0.34 -0.82 118.95 138.28 2pyx s ARG 92 Ca -0.11 -0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2pyx s ARG 92 Cb -0.14 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 2pyx s ARG 92 CO 0.04 0.05 0.05 -0.06 -0.81 0.00 0.00 175.30 174.57 2pyx s PHE 93 N 0.97 3.08 -0.11 5.12 0.08 -0.16 -0.54 117.98 126.41 2pyx s PHE 93 Ca 0.03 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.37 2pyx s PHE 93 Cb -0.14 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2pyx s PHE 93 CO 0.03 -0.48 -0.16 0.42 -0.10 0.00 0.00 175.22 174.93 2pyx s ILE 94 N 1.55 2.76 -1.68 0.64 1.01 -0.06 -1.44 121.20 123.98 2pyx s ILE 94 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2pyx s ILE 94 Cb -0.16 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2pyx s ILE 94 CO 0.02 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.09 2pyx n ASN 95 N 3.41 -5.20 0.10 3.58 3.02 0.33 -1.15 115.26 119.35 2pyx n ASN 95 Ca -0.18 0.16 0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2pyx n ASN 95 Cb 0.53 -4.27 -0.02 0.00 -0.61 0.00 0.00 39.78 35.40 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 0.10 3.10 4.06 -1.83 -3.40 115.95 117.98 2pyx h TRP 96 Ca -0.40 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.23 2pyx h TRP 96 Cb 1.26 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.40 2pyx h TRP 96 CO 0.49 0.56 -1.65 0.00 -3.56 0.00 0.00 178.44 174.28 2pyx s LYS 98 N -2.60 0.67 0.15 0.00 1.02 -1.26 0.11 119.74 117.82 2pyx s LYS 98 Ca -0.11 -1.21 -0.34 0.00 0.02 0.00 0.00 55.97 54.34 2pyx s LYS 98 Cb 0.07 0.23 -0.14 0.00 -0.52 0.00 0.00 37.83 37.47 2pyx s LYS 98 CO 0.83 -0.14 1.61 -0.25 -0.92 0.00 0.00 175.35 176.48 2pyx n ASP 99 N 0.07 3.20 -4.76 2.83 8.00 -1.26 -4.79 116.55 119.83 2pyx n ASP 99 Ca -0.13 1.07 -0.39 0.00 0.71 0.00 0.00 54.79 56.05 2pyx n ASP 99 Cb 0.61 -1.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.29 2pyx n ASP 99 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2pyx s PRO 100 N 1.16 3.61 -0.05 -0.24 0.02 -1.26 -5.03 135.00 133.20 2pyx s PRO 100 Ca 0.79 2.22 0.01 0.00 0.02 0.00 0.00 61.00 64.04 2pyx s PRO 100 Cb -0.66 -2.53 0.02 0.00 0.02 0.00 0.00 34.50 31.34 2pyx s PRO 100 CO 0.38 -0.81 -0.07 -0.65 -0.33 0.00 0.00 177.00 175.52 2pyx s GLN 101 N -2.56 1.12 0.56 5.54 1.11 -1.26 -5.03 119.66 119.13 2pyx s GLN 101 Ca 0.63 -0.20 0.31 0.00 0.01 0.00 0.00 55.36 56.12 2pyx s GLN 101 Cb -0.39 -1.05 1.67 0.00 -1.01 0.00 0.00 33.01 32.23 2pyx s GLN 101 CO 0.49 -0.06 2.15 0.66 0.01 0.00 0.00 175.29 178.53 2pyx h SER 102 N 7.20 0.00 0.00 5.90 4.64 -2.04 -2.98 113.55 126.27 2pyx h SER 102 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2pyx h SER 102 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2pyx h SER 102 CO 0.46 0.07 -0.14 -0.46 -0.87 0.00 0.00 176.83 175.89 2pyx n ASN 103 N -3.52 2.26 -3.97 4.97 6.94 -1.26 -4.87 115.26 115.81 2pyx n ASN 103 Ca -0.02 -1.67 -0.23 0.00 -0.02 0.00 0.00 54.58 52.64 2pyx n ASN 103 Cb 0.19 0.13 -0.16 0.00 -2.36 0.00 0.00 39.78 37.57 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 -2.16 0.90 0.10 3.53 1.01 -1.13 -5.12 120.40 117.53 2pyx s VAL 104 Ca 0.27 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2pyx s VAL 104 Cb 0.20 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.67 2pyx s VAL 104 CO 0.39 0.30 1.08 0.00 0.00 0.00 0.00 175.10 176.88 2pyx s ALA 105 N 0.73 3.31 -0.36 5.51 0.00 -1.26 -4.56 121.76 125.13 2pyx s ALA 105 Ca -0.13 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.57 2pyx s ALA 105 Cb -0.15 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.72 2pyx s ALA 105 CO 0.02 -0.25 0.15 0.34 0.00 0.00 0.00 175.76 176.02 2pyx s ASP 106 N 0.48 3.94 -0.20 0.00 2.15 -1.26 -5.07 116.67 116.71 2pyx s ASP 106 Ca 0.52 -2.08 -0.17 0.00 0.43 0.00 0.00 52.55 51.25 2pyx s ASP 106 Cb -0.27 -1.00 0.05 0.00 -0.30 0.00 0.00 42.92 41.41 2pyx s ASP 106 CO 0.31 -0.35 0.52 -0.55 -0.17 0.00 0.00 175.17 174.93 2pyx s SER 107 N 1.05 -0.58 0.08 -0.34 0.15 -1.26 -0.51 113.70 112.30 2pyx s SER 107 Ca 0.13 1.07 -0.05 0.00 0.70 0.00 0.00 55.95 57.81 2pyx s SER 107 Cb -0.20 1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 2pyx s SER 107 CO -0.13 -0.19 0.09 -0.72 1.20 0.00 0.00 173.24 173.49 2pyx s TYR 108 N 0.53 0.39 -0.07 3.44 -0.85 -0.52 -5.00 117.35 115.28 2pyx s TYR 108 Ca -0.02 -0.87 0.01 0.00 -0.52 0.00 0.00 57.07 55.67 2pyx s TYR 108 Cb -0.04 -0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 2pyx s TYR 108 CO -0.03 -0.48 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.27 2pyx s LEU 109 N -2.91 3.10 -0.56 -3.49 2.96 -1.26 -0.99 118.68 115.53 2pyx s LEU 109 Ca 0.08 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2pyx s LEU 109 Cb 0.06 -1.67 0.14 0.00 0.50 0.00 0.00 46.19 45.23 2pyx s LEU 109 CO -0.09 0.35 0.39 -2.28 -1.32 0.00 0.00 176.35 173.41 2pyx s HIS 110 N -0.76 3.49 0.56 5.38 5.65 0.00 -4.86 115.29 124.75 2pyx s HIS 110 Ca 0.12 -2.36 -0.11 0.00 0.25 0.00 0.00 55.06 52.95 2pyx s HIS 110 Cb -0.11 -3.34 -0.05 0.00 -1.18 0.00 0.00 32.58 27.90 2pyx s HIS 110 CO 0.01 -0.93 0.97 -1.25 -0.65 0.00 0.00 174.74 172.89 2pyx s PRO 111 N 0.60 3.67 0.24 2.88 0.04 -1.26 -1.57 135.00 139.60 2pyx s PRO 111 Ca 0.12 0.69 0.13 0.00 0.04 0.00 0.00 61.00 61.98 2pyx s PRO 111 Cb -0.21 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.20 2pyx s PRO 111 CO -0.03 -0.42 1.42 0.74 0.04 0.00 0.00 177.00 178.74 2pyx h PHE 112 N 0.12 0.00 -3.58 0.56 0.04 -1.44 -3.46 116.94 109.18 2pyx h PHE 112 Ca -0.45 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.79 2pyx h PHE 112 Cb 1.19 0.00 0.06 0.00 2.20 0.00 0.00 35.95 39.40 2pyx h PHE 112 CO 0.64 0.65 0.71 -1.12 -0.60 0.00 0.00 178.31 178.59 2pyx s SER 113 N -6.54 6.70 0.54 2.17 0.01 -1.26 -4.84 113.70 110.47 2pyx s SER 113 Ca 0.03 2.67 -0.18 0.00 1.31 0.00 0.00 55.95 59.78 2pyx s SER 113 Cb 0.09 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2pyx s SER 113 CO 0.76 -0.64 1.04 -0.76 0.41 0.00 0.00 173.24 174.06 2pyx s LEU 114 N -0.93 3.65 0.31 2.44 1.43 -1.26 -4.97 118.68 119.34 2pyx s LEU 114 Ca 0.55 1.84 -0.27 0.00 -1.03 0.00 0.00 54.13 55.22 2pyx s LEU 114 Cb -0.41 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 41.13 2pyx s LEU 114 CO 0.47 -0.96 0.98 -2.65 0.23 0.00 0.00 176.35 174.42 2pyx n PRO 115 N -1.57 1.31 -1.74 1.29 -0.02 -1.26 -4.85 135.00 128.17 2pyx n PRO 115 Ca 0.09 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2pyx n PRO 115 Cb 0.53 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.09 2.68 -1.26 6.00 -0.00 0.70 -2.30 115.22 121.13 2pyx n HIS 116 Ca 0.10 0.41 -0.09 0.00 0.46 0.00 0.00 57.72 58.60 2pyx n HIS 116 Cb 0.33 -2.52 -0.04 0.00 -0.12 0.00 0.00 29.99 27.65 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 1.25 1.06 0.32 1.57 0.00 -1.26 -4.76 105.19 103.36 2pyx n GLY 117 Ca 0.06 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.59 0.34 115.15 115.51 2pyx h HIS 118 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2pyx h HIS 118 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 2pyx h HIS 118 CO 0.29 0.00 0.00 1.96 -0.00 0.00 0.00 177.93 180.18 2pyx h GLN 119 N 0.00 0.00 0.00 5.12 4.20 -1.91 -3.33 115.11 119.20 2pyx h GLN 119 Ca 0.05 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.38 2pyx h GLN 119 Cb 0.28 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 2pyx h GLN 119 CO -0.00 0.00 -2.43 0.39 -0.67 0.00 0.00 178.83 176.12 2pyx n GLU 120 N -3.06 0.67 -3.64 1.46 1.02 0.10 -5.05 120.64 112.14 2pyx n GLU 120 Ca 0.02 0.10 -0.07 0.00 -0.02 0.00 0.00 57.16 57.20 2pyx n GLU 120 Cb 0.41 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 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 -6.17 -0.42 -0.55 -4.62 2.96 -0.23 -5.11 118.68 104.55 2pyx s LEU 121 Ca -0.26 0.76 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 2pyx s LEU 121 Cb 0.08 1.75 0.03 0.00 0.50 0.00 0.00 46.19 48.55 2pyx s LEU 121 CO 0.69 -0.13 1.16 -0.62 -1.32 0.00 0.00 176.35 176.13 2pyx s ASP 122 N 0.51 6.50 0.52 3.68 -1.08 -1.26 -3.98 116.67 121.56 2pyx s ASP 122 Ca 0.00 0.19 0.31 0.00 -0.52 0.00 0.00 52.55 52.53 2pyx s ASP 122 Cb -0.05 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.95 2pyx s ASP 122 CO -0.10 -1.40 1.88 -0.07 0.52 0.00 0.00 175.17 176.01 2pyx h LEU 123 N 11.65 0.00 -0.11 -1.34 3.38 -1.91 -3.37 115.31 123.60 2pyx h LEU 123 Ca -0.24 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2pyx h LEU 123 Cb 1.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2pyx h LEU 123 CO 1.16 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 179.35 2pyx h PRO 125 N -0.43 0.00 0.00 0.00 0.13 -1.96 -1.31 132.00 128.43 2pyx h PRO 125 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2pyx h PRO 125 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2pyx h PRO 125 CO -0.35 0.04 -0.29 1.88 -0.23 0.00 0.00 178.00 179.05 2pyx h TYR 126 N 0.00 0.00 0.03 1.56 0.05 -1.38 -3.15 116.97 114.07 2pyx h TYR 126 Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 2pyx h TYR 126 Cb 0.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2pyx h TYR 126 CO 0.00 0.29 -0.97 2.35 -1.05 0.00 0.00 178.16 178.78 2pyx h TRP 127 N 0.00 0.44 -0.89 4.88 7.01 -0.03 -3.39 115.95 123.96 2pyx h TRP 127 Ca -0.00 -0.25 0.24 0.00 2.11 0.00 0.00 58.89 60.98 2pyx h TRP 127 Cb 1.05 -0.04 -0.15 0.00 -2.10 0.00 0.00 29.16 27.91 2pyx h TRP 127 CO 0.00 1.10 0.12 -0.07 -2.79 0.00 0.00 178.44 176.80 2pyx h LEU 128 N 0.14 -0.23 -0.93 0.65 3.38 -1.34 0.20 115.31 117.18 2pyx h LEU 128 Ca -0.07 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2pyx h LEU 128 Cb 1.62 0.36 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2pyx h LEU 128 CO 0.16 -0.24 0.00 -2.65 0.09 0.00 0.00 178.44 175.80 2pyx n PRO 129 N -5.34 0.13 -0.29 1.13 -0.02 -1.26 -2.49 135.00 126.86 2pyx n PRO 129 Ca 0.21 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 2pyx n PRO 129 Cb 0.68 -1.84 0.20 0.00 -0.02 0.00 0.00 33.50 32.51 2pyx n PRO 129 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2pyx n HIS 130 N -2.10 0.67 -0.14 6.00 8.25 0.70 -4.71 115.22 123.90 2pyx n HIS 130 Ca 0.00 -0.65 0.15 0.00 -0.26 0.00 0.00 57.72 56.96 2pyx n HIS 130 Cb 0.10 -0.15 0.52 0.00 1.12 0.00 0.00 29.99 31.58 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 1.96 2.12 0.00 -1.41 0.00 -1.47 0.44 119.26 120.90 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 1.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pyx h ALA 131 CO 0.09 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.42 2pyx n GLU 132 N -4.47 0.08 -0.07 0.00 -0.58 -1.26 -3.73 120.64 110.61 2pyx n GLU 132 Ca 0.13 0.13 -0.06 0.00 -0.42 0.00 0.00 57.16 56.94 2pyx n GLU 132 Cb 0.51 -1.61 -0.12 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.75 1.49 -3.66 3.49 3.00 0.08 -5.02 117.38 115.01 2pyx n GLN 133 Ca 0.06 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 2pyx n GLN 133 Cb 0.32 -1.38 -0.08 0.00 0.00 0.00 0.00 30.24 29.10 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 -2.42 0.01 0.65 5.09 0.11 -0.82 -5.15 120.40 117.87 2pyx s VAL 134 Ca -0.07 -0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.77 2pyx s VAL 134 Cb 0.05 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2pyx s VAL 134 CO 0.61 -0.02 1.17 -0.94 -3.33 0.00 0.00 175.10 172.59 2pyx s SER 135 N -0.07 4.88 0.16 3.54 1.04 -1.26 -4.33 113.70 117.65 2pyx s SER 135 Ca -0.03 2.26 -0.15 0.00 0.48 0.00 0.00 55.95 58.50 2pyx s SER 135 Cb -0.04 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.56 2pyx s SER 135 CO 0.03 -1.80 1.79 0.15 0.98 0.00 0.00 173.24 174.39 2pyx h PHE 136 N 0.29 0.44 -0.53 5.02 3.57 -1.91 -1.02 116.94 122.80 2pyx h PHE 136 Ca -0.48 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 2pyx h PHE 136 Cb 1.28 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 2pyx h PHE 136 CO 0.49 0.25 0.18 0.00 -2.23 0.00 0.00 178.31 177.00 2pyx h ALA 137 N 1.20 0.69 -0.45 2.41 0.00 -1.92 -1.77 119.26 119.42 2pyx h ALA 137 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pyx h ALA 137 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2pyx h ALA 137 CO -0.09 0.34 -0.04 1.49 0.00 0.00 0.00 179.25 180.95 2pyx h GLU 138 N 0.73 0.76 -0.54 0.00 4.81 -1.74 -0.21 114.58 118.38 2pyx h GLU 138 Ca 0.17 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2pyx h GLU 138 Cb 0.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2pyx h GLU 138 CO -0.01 0.79 0.12 0.00 -0.73 0.00 0.00 179.01 179.18 2pyx h ALA 139 N 1.26 1.20 -0.00 2.92 0.00 -0.80 -3.35 119.26 120.48 2pyx h ALA 139 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pyx h ALA 139 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pyx h ALA 139 CO 0.02 0.55 -0.01 1.33 0.00 0.00 0.00 179.25 181.14 2pyx n VAL 140 N -4.27 0.00 -4.08 0.00 0.24 -0.70 -4.73 118.33 104.80 2pyx n VAL 140 Ca 0.04 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 2pyx n VAL 140 Cb 0.23 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.97 0.76 0.24 0.00 3.41 -1.26 -4.41 113.62 113.33 2pyx n SER 142 Ca -0.19 0.29 0.08 0.00 -0.26 0.00 0.00 58.87 58.79 2pyx n SER 142 Cb 0.57 0.61 0.58 0.00 -0.26 0.00 0.00 64.21 65.71 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 0.13 4.33 4.20 -1.96 -1.63 115.11 120.18 2pyx h GLN 143 Ca -0.01 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2pyx h GLN 143 Cb 1.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2pyx h GLN 143 CO 0.00 0.16 -0.22 0.37 -0.67 0.00 0.00 178.83 178.47 2pyx h GLN 144 N 0.00 -0.40 -0.35 1.46 5.75 -1.82 -0.42 115.11 119.33 2pyx h GLN 144 Ca -0.00 0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 2pyx h GLN 144 Cb 0.31 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2pyx h GLN 144 CO 0.02 -0.27 -0.16 0.28 -2.65 0.00 0.00 178.83 176.05 2pyx h VAL 145 N -0.42 1.29 -0.26 2.39 2.07 -1.79 -2.74 116.25 116.80 2pyx h VAL 145 Ca 0.02 -1.28 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 2pyx h VAL 145 Cb 0.43 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2pyx h VAL 145 CO -0.11 0.42 -0.57 -0.07 0.02 0.00 0.00 177.57 177.26 2pyx h LEU 146 N 0.50 0.90 -0.90 2.57 3.38 -1.23 -2.42 115.31 118.12 2pyx h LEU 146 Ca 0.08 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 2pyx h LEU 146 Cb 0.70 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2pyx h LEU 146 CO 0.05 1.28 -0.53 0.71 0.09 0.00 0.00 178.44 180.03 2pyx h THR 147 N 0.61 1.34 -0.27 0.22 1.35 -1.15 -1.28 112.91 113.73 2pyx h THR 147 Ca 0.01 -1.86 -0.03 0.00 -0.55 0.00 0.00 66.41 63.98 2pyx h THR 147 Cb 1.17 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 2pyx h THR 147 CO 0.12 0.52 0.03 1.56 -0.25 0.00 0.00 175.52 177.50 2pyx h GLN 148 N 0.00 0.40 -0.03 4.72 4.20 -1.16 -1.40 115.11 121.85 2pyx h GLN 148 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2pyx h GLN 148 Cb 0.97 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2pyx h GLN 148 CO 0.07 0.41 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 2pyx n LEU 149 N -4.35 0.38 -1.24 1.46 4.77 -0.94 -4.92 117.00 112.17 2pyx n LEU 149 Ca 0.01 -0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.73 2pyx n LEU 149 Cb 0.19 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2pyx n LEU 149 CO 0.37 0.07 -0.14 0.61 -1.33 0.00 0.00 177.39 176.98 2pyx n GLY 150 N 0.93 0.12 3.86 -0.72 0.00 -0.53 -4.96 105.19 103.89 2pyx n GLY 150 Ca 0.17 -0.42 -0.32 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 -3.18 4.09 0.80 0.99 1.43 -0.51 -2.43 118.68 119.86 2pyx s LEU 151 Ca 0.00 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 2pyx s LEU 151 Cb 0.00 -3.89 0.07 0.00 0.03 0.00 0.00 46.19 42.40 2pyx s LEU 151 CO 0.00 -0.17 1.15 0.00 0.23 0.00 0.00 176.35 177.57 2pyx s ALA 152 N -1.95 2.59 -2.41 4.21 0.00 0.12 -4.57 121.76 119.76 2pyx s ALA 152 Ca 0.51 -0.55 0.29 0.00 0.00 0.00 0.00 51.96 52.21 2pyx s ALA 152 Cb -0.11 -2.99 1.21 0.00 0.00 0.00 0.00 23.12 21.23 2pyx s ALA 152 CO 0.20 -1.62 1.84 -0.35 0.00 0.00 0.00 175.76 175.83 2pyx n PRO 153 N -3.30 1.54 -3.83 0.00 -0.04 -1.26 -4.83 135.00 123.28 2pyx n PRO 153 Ca 0.08 -0.78 -0.07 0.00 -0.04 0.00 0.00 63.50 62.68 2pyx n PRO 153 Cb 0.60 -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 1.92 0.39 0.54 -2.85 -1.26 -0.96 119.74 115.52 2pyx s LYS 154 Ca 0.40 -1.19 0.08 0.00 -1.00 0.00 0.00 55.97 54.25 2pyx s LYS 154 Cb 0.21 0.57 -0.06 0.00 -2.06 0.00 0.00 37.83 36.49 2pyx s LYS 154 CO 0.34 -0.90 0.09 -1.12 0.10 0.00 0.00 175.35 173.86 2pyx s SER 155 N -3.07 4.21 0.61 0.03 0.01 -1.26 -4.49 113.70 109.74 2pyx s SER 155 Ca 0.15 -1.13 0.39 0.00 1.31 0.00 0.00 55.95 56.67 2pyx s SER 155 Cb -0.05 -0.47 1.88 0.00 0.21 0.00 0.00 66.02 67.59 2pyx s SER 155 CO 0.09 -0.43 2.17 -0.29 0.41 0.00 0.00 173.24 175.19 2pyx h ILE 156 N 1.62 0.01 0.00 1.44 6.09 -1.94 -1.43 117.51 123.30 2pyx h ILE 156 Ca -0.43 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2pyx h ILE 156 Cb 1.25 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.81 2pyx h ILE 156 CO 0.72 0.00 -0.22 1.33 -3.07 0.00 0.00 178.15 176.91 2pyx n VAL 157 N -3.10 0.24 -2.38 2.19 0.24 -1.26 -4.07 118.33 110.20 2pyx n VAL 157 Ca -0.01 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.34 61.74 2pyx n VAL 157 Cb 0.19 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 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 -3.06 3.42 0.70 3.34 2.01 -0.54 -4.77 115.64 116.73 2pyx s THR 158 Ca 0.11 1.31 -0.16 0.00 0.31 0.00 0.00 61.69 63.26 2pyx s THR 158 Cb 0.16 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2pyx s THR 158 CO 0.62 0.27 1.24 0.00 -0.69 0.00 0.00 174.62 176.06 2pyx s ALA 159 N -0.65 2.20 0.15 7.40 0.00 -1.26 -4.35 121.76 125.26 2pyx s ALA 159 Ca 0.49 1.03 -0.34 0.00 0.00 0.00 0.00 51.96 53.13 2pyx s ALA 159 Cb -0.33 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.13 2pyx s ALA 159 CO 0.41 -1.79 1.44 1.04 0.00 0.00 0.00 175.76 176.85 2pyx n GLN 160 N -2.41 1.72 -0.57 0.00 6.02 -1.26 -1.66 117.38 119.22 2pyx n GLN 160 Ca 0.14 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2pyx n GLN 160 Cb 0.49 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.45 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 2.73 0.00 -2.54 1.08 4.01 -1.26 -4.99 117.16 116.19 2pyx n TYR 161 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.68 2pyx n TYR 161 Cb 0.26 -0.67 0.06 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.41 2.54 0.13 -0.72 3.76 -0.67 -4.99 115.29 112.94 2pyx s HIS 162 Ca 0.00 0.01 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 2pyx s HIS 162 Cb 0.00 -2.90 0.07 0.00 1.11 0.00 0.00 32.58 30.86 2pyx s HIS 162 CO 0.00 -1.19 0.61 -0.59 -0.85 0.00 0.00 174.74 172.72 2pyx s PHE 163 N -2.95 -0.55 -0.06 1.40 -0.12 -1.26 -4.79 117.98 109.65 2pyx s PHE 163 Ca 0.60 0.42 -0.10 0.00 -0.05 0.00 0.00 56.93 57.81 2pyx s PHE 163 Cb -0.09 0.54 -0.30 0.00 -0.63 0.00 0.00 43.02 42.54 2pyx s PHE 163 CO 0.41 -0.82 0.62 1.96 -0.05 0.00 0.00 175.22 177.34 2pyx h GLN 164 N 2.12 0.36 -4.93 1.99 1.08 -1.44 -3.47 115.11 110.82 2pyx h GLN 164 Ca -0.33 -0.62 -0.39 0.00 -1.45 0.00 0.00 58.65 55.86 2pyx h GLN 164 Cb 1.29 0.23 -0.26 0.00 -0.05 0.00 0.00 27.48 28.69 2pyx h GLN 164 CO 0.38 1.28 -0.78 -0.80 -0.95 0.00 0.00 178.83 177.97 2pyx s ASN 165 N -7.22 1.26 0.50 1.46 0.01 -0.65 -5.04 114.94 105.24 2pyx s ASN 165 Ca -0.17 -0.35 -0.23 0.00 -0.71 0.00 0.00 52.86 51.40 2pyx s ASN 165 Cb 0.06 -0.08 -0.06 0.00 0.41 0.00 0.00 41.25 41.57 2pyx s ASN 165 CO 0.84 0.02 1.33 0.21 -1.51 0.00 0.00 177.10 177.99 2pyx s ASN 166 N -0.83 5.67 0.08 -1.22 2.47 -1.26 -4.74 114.94 115.10 2pyx s ASN 166 Ca 0.00 2.70 -0.11 0.00 0.42 0.00 0.00 52.86 55.87 2pyx s ASN 166 Cb -0.06 -2.63 0.01 0.00 -1.45 0.00 0.00 41.25 37.11 2pyx s ASN 166 CO 0.00 -1.29 0.26 -0.72 -3.72 0.00 0.00 177.10 171.63 2pyx s TYR 167 N -1.32 0.01 0.00 0.43 1.13 -1.26 -4.44 117.35 111.89 2pyx s TYR 167 Ca 0.66 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 56.00 2pyx s TYR 167 Cb -0.39 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 2pyx s TYR 167 CO 0.47 -0.55 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 2pyx n GLY 168 N 0.15 5.11 3.13 5.49 0.00 0.37 -4.06 105.19 115.38 2pyx n GLY 168 Ca -0.17 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 2.11 0.80 -0.11 1.61 2.02 -1.26 -0.62 117.35 121.90 2pyx s TYR 169 Ca 0.00 -0.80 -0.05 0.00 -0.37 0.00 0.00 57.07 55.85 2pyx s TYR 169 Cb 0.00 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 2pyx s TYR 169 CO 0.00 -0.14 0.07 -1.01 -1.57 0.00 0.00 175.55 172.90 2pyx s HIS 170 N -2.99 3.36 0.16 2.71 3.76 -0.08 -0.81 115.29 121.40 2pyx s HIS 170 Ca 0.05 0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 55.14 2pyx s HIS 170 Cb 0.01 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.82 2pyx s HIS 170 CO -0.04 0.54 0.40 -0.48 -0.85 0.00 0.00 174.74 174.31 2pyx s LEU 171 N -0.76 0.51 -0.42 0.89 0.05 0.15 -0.72 118.68 118.37 2pyx s LEU 171 Ca 0.13 -0.55 -0.19 0.00 0.05 0.00 0.00 54.13 53.56 2pyx s LEU 171 Cb -0.12 1.72 0.02 0.00 -2.05 0.00 0.00 46.19 45.76 2pyx s LEU 171 CO 0.03 -0.93 0.57 0.21 -0.55 0.00 0.00 176.35 175.67 2pyx s ASN 172 N -2.88 6.29 0.31 1.48 3.84 -0.68 -0.70 114.94 122.59 2pyx s ASN 172 Ca 0.09 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.81 2pyx s ASN 172 Cb 0.01 -2.29 0.50 0.00 -0.55 0.00 0.00 41.25 38.93 2pyx s ASN 172 CO -0.05 -0.68 1.79 0.00 -2.79 0.00 0.00 177.10 175.37 2pyx h ALA 173 N 8.77 1.23 -0.47 1.71 0.00 -1.92 -1.08 119.26 127.49 2pyx h ALA 173 Ca -0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2pyx h ALA 173 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2pyx h ALA 173 CO 0.85 0.50 0.15 0.00 0.00 0.00 0.00 179.25 180.75 2pyx h ALA 174 N 1.40 0.61 -0.42 0.00 0.00 -1.96 -0.18 119.26 118.71 2pyx h ALA 174 Ca 0.09 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2pyx h ALA 174 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2pyx h ALA 174 CO 0.03 0.27 -0.04 0.87 0.00 0.00 0.00 179.25 180.38 2pyx h LYS 175 N 0.62 0.70 -0.25 0.00 1.57 -1.83 -1.85 116.57 115.53 2pyx h LYS 175 Ca 0.15 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2pyx h LYS 175 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2pyx h LYS 175 CO -0.01 0.74 0.10 0.35 -0.57 0.00 0.00 179.45 180.07 2pyx h PHE 176 N 0.65 0.39 -0.89 -1.35 3.57 -0.93 -0.94 116.94 117.44 2pyx h PHE 176 Ca 0.13 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2pyx h PHE 176 Cb 0.46 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 2pyx h PHE 176 CO 0.02 0.40 0.57 0.77 -2.23 0.00 0.00 178.31 177.85 2pyx h SER 177 N 0.26 0.81 -0.35 0.41 0.02 -0.85 -0.08 113.55 113.77 2pyx h SER 177 Ca 0.09 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2pyx h SER 177 Cb 0.18 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2pyx h SER 177 CO -0.01 0.48 -0.08 1.56 -1.14 0.00 0.00 176.83 177.65 2pyx h GLN 178 N 0.90 0.67 -0.42 3.45 4.20 -0.97 0.29 115.11 123.23 2pyx h GLN 178 Ca 0.41 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2pyx h GLN 178 Cb 0.38 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2pyx h GLN 178 CO -0.17 0.83 0.24 1.25 -0.67 0.00 0.00 178.83 180.31 2pyx h LEU 179 N 0.47 0.52 -0.78 1.46 6.46 -0.65 -1.88 115.31 120.91 2pyx h LEU 179 Ca 0.09 -0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 2pyx h LEU 179 Cb 0.58 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2pyx h LEU 179 CO 0.03 0.45 0.30 -0.07 -0.62 0.00 0.00 178.44 178.53 2pyx h LEU 180 N 0.55 1.08 -0.18 2.25 3.38 -0.92 -0.89 115.31 120.58 2pyx h LEU 180 Ca 0.15 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2pyx h LEU 180 Cb 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2pyx h LEU 180 CO -0.03 0.96 -0.01 0.74 0.09 0.00 0.00 178.44 180.19 2pyx h THR 181 N 1.13 0.86 -0.17 0.22 2.02 -0.65 0.13 112.91 116.45 2pyx h THR 181 Ca 0.26 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.43 2pyx h THR 181 Cb 0.22 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2pyx h THR 181 CO -0.02 0.01 0.10 -0.08 0.37 0.00 0.00 175.52 175.90 2pyx h GLU 182 N 0.04 0.20 -0.24 6.66 4.57 -1.07 -1.97 114.58 122.78 2pyx h GLU 182 Ca 0.08 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2pyx h GLU 182 Cb 0.11 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2pyx h GLU 182 CO -0.15 0.13 0.07 1.25 -1.18 0.00 0.00 179.01 179.14 2pyx h HIS 183 N 0.21 0.39 -0.47 0.92 2.76 -0.94 0.56 115.15 118.58 2pyx h HIS 183 Ca 0.07 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 2pyx h HIS 183 Cb -0.01 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 2pyx h HIS 183 CO -0.08 0.44 -0.06 0.00 -1.30 0.00 0.00 177.93 176.94 2pyx h THR 185 N 0.76 1.16 0.00 0.00 1.35 -1.31 -1.64 112.91 113.22 2pyx h THR 185 Ca 0.14 -2.73 -0.20 0.00 -0.55 0.00 0.00 66.41 63.07 2pyx h THR 185 Cb 0.54 2.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 2pyx h THR 185 CO 0.03 0.84 -1.20 1.56 -0.25 0.00 0.00 175.52 176.49 2pyx h GLN 186 N 0.09 0.00 0.00 4.72 1.08 -0.83 -3.34 115.11 116.83 2pyx h GLN 186 Ca -0.26 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.81 2pyx h GLN 186 Cb 2.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.47 2pyx h GLN 186 CO 0.19 0.55 -1.49 1.63 -0.95 0.00 0.00 178.83 178.76 2pyx n LYS 187 N -3.10 2.73 -0.08 1.46 5.02 0.32 -4.76 118.16 119.75 2pyx n LYS 187 Ca -0.07 -0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.29 2pyx n LYS 187 Cb 0.89 -1.18 0.10 0.00 -0.02 0.00 0.00 35.03 34.82 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 -2.28 2.48 -0.15 -0.35 4.77 -0.86 -4.68 117.00 115.92 2pyx n LEU 188 Ca -0.12 -1.37 -0.02 0.00 -0.03 0.00 0.00 56.01 54.47 2pyx n LEU 188 Cb 0.73 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 2pyx n LEU 188 CO 0.15 0.53 -0.02 0.61 -1.33 0.00 0.00 177.39 177.33 2pyx n GLY 189 N 0.73 0.49 3.74 -0.72 0.00 -0.71 -4.93 105.19 103.79 2pyx n GLY 189 Ca 0.10 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.80 3.34 0.00 1.61 1.01 -0.70 -4.83 120.40 119.04 2pyx s VAL 190 Ca 0.00 1.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 2pyx s VAL 190 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2pyx s VAL 190 CO 0.00 0.16 0.79 -0.89 0.00 0.00 0.00 175.10 175.16 2pyx s THR 191 N 0.16 4.84 -0.14 3.92 2.01 -0.37 -4.39 115.64 121.67 2pyx s THR 191 Ca 0.56 1.66 0.02 0.00 0.31 0.00 0.00 61.69 64.24 2pyx s THR 191 Cb -0.35 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.04 2pyx s THR 191 CO 0.37 0.29 -0.20 -2.28 -0.69 0.00 0.00 174.62 172.11 2pyx s HIS 192 N 0.40 2.53 -0.09 4.92 2.46 -1.26 -0.16 115.29 124.09 2pyx s HIS 192 Ca 0.41 -1.31 0.04 0.00 0.47 0.00 0.00 55.06 54.66 2pyx s HIS 192 Cb -0.20 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 2pyx s HIS 192 CO 0.23 -0.62 -0.21 0.42 -2.47 0.00 0.00 174.74 172.09 2pyx s ILE 193 N 0.95 1.80 -0.35 0.89 1.01 -0.26 -4.98 121.20 120.26 2pyx s ILE 193 Ca -0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 2pyx s ILE 193 Cb -0.15 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.80 2pyx s ILE 193 CO -0.04 0.50 0.13 -0.60 0.00 0.00 0.00 174.94 174.93 2pyx s ARG 194 N 0.42 2.59 0.05 2.79 3.52 -1.26 -0.44 118.95 126.61 2pyx s ARG 194 Ca -0.17 -1.24 -0.27 0.00 -0.13 0.00 0.00 55.73 53.91 2pyx s ARG 194 Cb -0.17 -3.51 0.09 0.00 -1.56 0.00 0.00 34.95 29.80 2pyx s ARG 194 CO 0.07 -0.72 0.84 0.34 -0.81 0.00 0.00 175.30 175.02 2pyx s ASP 195 N 1.51 -0.38 0.19 -2.12 2.15 -0.54 -4.85 116.67 112.62 2pyx s ASP 195 Ca -0.01 -0.05 -0.19 0.00 0.43 0.00 0.00 52.55 52.74 2pyx s ASP 195 Cb -0.20 0.44 -0.08 0.00 -0.30 0.00 0.00 42.92 42.78 2pyx s ASP 195 CO 0.02 -0.73 0.67 -1.00 -0.17 0.00 0.00 175.17 173.97 2pyx s HIS 196 N -3.27 3.68 -0.26 -5.34 3.76 -1.26 -4.28 115.29 108.32 2pyx s HIS 196 Ca 0.05 1.33 -0.08 0.00 -0.15 0.00 0.00 55.06 56.20 2pyx s HIS 196 Cb -0.01 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 2pyx s HIS 196 CO -0.08 0.40 0.10 0.08 -0.85 0.00 0.00 174.74 174.38 2pyx s VAL 197 N -1.44 4.52 -0.13 -0.90 1.01 -1.26 -1.54 120.40 120.66 2pyx s VAL 197 Ca 0.40 -0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.45 2pyx s VAL 197 Cb -0.17 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.95 2pyx s VAL 197 CO 0.21 0.32 0.83 -1.54 0.00 0.00 0.00 175.10 174.91 2pyx n SER 198 N 4.95 0.84 -3.69 3.32 3.41 0.65 -4.96 113.62 118.13 2pyx n SER 198 Ca -0.16 0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 2pyx n SER 198 Cb 0.51 0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 2pyx n SER 198 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2pyx s GLN 199 N -2.97 0.59 -0.25 4.33 -0.21 -1.18 -5.00 119.66 114.97 2pyx s GLN 199 Ca -0.03 0.77 -0.09 0.00 0.02 0.00 0.00 55.36 56.03 2pyx s GLN 199 Cb 0.09 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.31 2pyx s GLN 199 CO 0.81 -0.09 0.12 0.42 -2.12 0.00 0.00 175.29 174.43 2pyx s ILE 200 N 0.50 4.86 -0.17 1.08 1.01 -1.26 -1.04 121.20 126.18 2pyx s ILE 200 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 2pyx s ILE 200 Cb -0.04 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 2pyx s ILE 200 CO -0.02 0.33 -0.03 -0.63 0.00 0.00 0.00 174.94 174.59 2pyx s ILE 201 N 1.36 3.85 0.32 2.92 -1.09 0.07 -5.03 121.20 123.61 2pyx s ILE 201 Ca 0.06 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2pyx s ILE 201 Cb -0.15 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2pyx s ILE 201 CO 0.06 0.47 0.52 0.20 -1.23 0.00 0.00 174.94 174.96 2pyx s ASN 202 N 0.58 6.33 0.90 3.58 0.01 -1.26 0.37 114.94 125.46 2pyx s ASN 202 Ca -0.02 0.48 -0.11 0.00 -0.71 0.00 0.00 52.86 52.50 2pyx s ASN 202 Cb -0.14 -2.05 0.19 0.00 0.41 0.00 0.00 41.25 39.66 2pyx s ASN 202 CO 0.02 -0.24 1.23 0.54 -1.51 0.00 0.00 177.10 177.15 2pyx s ASN 203 N -3.77 3.38 0.61 -1.22 2.20 0.05 -4.69 114.94 111.51 2pyx s ASN 203 Ca 0.40 -0.00 0.39 0.00 -0.94 0.00 0.00 52.86 52.71 2pyx s ASN 203 Cb -0.10 -0.09 1.97 0.00 -2.00 0.00 0.00 41.25 41.03 2pyx s ASN 203 CO 0.34 -2.54 2.21 0.06 -2.94 0.00 0.00 177.10 174.23 2pyx h GLN 204 N -1.34 0.00 -0.36 3.55 -0.00 -2.00 -2.48 115.11 112.48 2pyx h GLN 204 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 2pyx h GLN 204 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2pyx h GLN 204 CO 0.36 0.01 0.00 0.72 -0.00 0.00 0.00 178.83 179.92 2pyx n HIS 205 N -3.15 0.47 -0.48 0.06 8.25 -1.26 -4.94 115.22 114.17 2pyx n HIS 205 Ca -0.02 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 2pyx n HIS 205 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 1.41 0.74 3.85 -1.41 0.00 -0.93 -5.06 105.19 103.79 2pyx n GLY 206 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.94 6.53 0.18 1.61 1.01 -1.26 -4.85 116.67 116.95 2pyx s ASP 207 Ca 0.00 1.49 -0.30 0.00 0.71 0.00 0.00 52.55 54.45 2pyx s ASP 207 Cb 0.00 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.37 2pyx s ASP 207 CO 0.00 -0.63 1.22 -0.63 0.21 0.00 0.00 175.17 175.34 2pyx s ILE 208 N -2.72 3.51 -0.16 0.77 1.01 -1.26 -0.77 121.20 121.57 2pyx s ILE 208 Ca 0.57 1.26 -0.02 0.00 0.00 0.00 0.00 60.65 62.46 2pyx s ILE 208 Cb -0.10 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 2pyx s ILE 208 CO 0.36 0.20 -0.17 1.21 0.00 0.00 0.00 174.94 176.54 2pyx n GLU 209 N 2.56 0.38 -3.53 2.79 2.13 0.16 -4.74 120.64 120.39 2pyx n GLU 209 Ca 0.05 0.12 -0.09 0.00 0.66 0.00 0.00 57.16 57.89 2pyx n GLU 209 Cb 0.44 -1.23 -0.02 0.00 0.27 0.00 0.00 31.44 30.90 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 -2.31 1.15 -0.06 5.31 -2.85 -0.91 -2.32 119.74 117.76 2pyx s LYS 210 Ca -0.22 -0.48 0.05 0.00 -1.00 0.00 0.00 55.97 54.32 2pyx s LYS 210 Cb 0.07 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.32 2pyx s LYS 210 CO 0.34 -0.51 -0.21 -0.51 0.10 0.00 0.00 175.35 174.55 2pyx s LEU 211 N -2.69 2.30 -0.26 2.77 1.43 0.24 -0.75 118.68 121.72 2pyx s LEU 211 Ca 0.05 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 2pyx s LEU 211 Cb -0.02 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2pyx s LEU 211 CO -0.08 0.26 0.40 -0.63 0.23 0.00 0.00 176.35 176.53 2pyx s ILE 212 N -0.25 5.16 0.30 -0.59 -1.09 -0.21 -0.87 121.20 123.65 2pyx s ILE 212 Ca -0.00 0.62 0.07 0.00 -2.23 0.00 0.00 60.65 59.12 2pyx s ILE 212 Cb -0.13 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2pyx s ILE 212 CO 0.03 0.15 0.24 0.42 -1.23 0.00 0.00 174.94 174.55 2pyx s THR 213 N 2.05 3.89 0.12 2.92 -4.23 -0.59 -0.26 115.64 119.55 2pyx s THR 213 Ca 0.16 -1.41 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 2pyx s THR 213 Cb -0.16 -3.26 -0.08 0.00 1.34 0.00 0.00 72.50 70.34 2pyx s THR 213 CO 0.10 -0.25 1.41 0.11 -0.54 0.00 0.00 174.62 175.45 2pyx h LYS 214 N 1.38 0.86 0.00 3.99 6.56 -1.58 -3.38 116.57 124.40 2pyx h LYS 214 Ca -0.46 -0.52 0.00 0.00 -1.06 0.00 0.00 60.65 58.61 2pyx h LYS 214 Cb 1.25 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 2pyx h LYS 214 CO 0.60 1.16 0.00 1.04 -2.06 0.00 0.00 179.45 180.19 2pyx n GLN 215 N -4.06 1.71 -0.13 3.15 6.02 -1.26 -4.80 117.38 118.01 2pyx n GLN 215 Ca -0.04 -0.25 0.09 0.00 -0.01 0.00 0.00 57.00 56.80 2pyx n GLN 215 Cb 0.59 -0.71 0.14 0.00 1.02 0.00 0.00 30.24 31.29 2pyx n GLN 215 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2pyx n ASN 216 N -0.31 2.23 0.00 1.08 3.02 -1.26 -5.10 115.26 114.92 2pyx n ASN 216 Ca 0.00 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 2pyx n ASN 216 Cb 0.03 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.37 0.49 3.71 7.41 0.00 -1.26 -4.62 105.19 109.55 2pyx n GLY 217 Ca 0.16 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 4.25 -0.31 1.61 2.02 -1.26 -1.54 118.70 123.47 2pyx s GLU 218 Ca 0.00 0.22 -0.06 0.00 0.02 0.00 0.00 54.97 55.14 2pyx s GLU 218 Cb 0.00 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.78 2pyx s GLU 218 CO 0.00 0.12 0.08 0.42 0.02 0.00 0.00 175.26 175.90 2pyx s ILE 219 N 0.81 3.83 0.07 -1.63 -1.09 -0.05 -4.95 121.20 118.19 2pyx s ILE 219 Ca 0.20 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 2pyx s ILE 219 Cb -0.14 -3.06 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 2pyx s ILE 219 CO 0.07 -0.03 0.29 -0.44 -1.23 0.00 0.00 174.94 173.60 2pyx s SER 220 N 1.45 6.44 0.35 3.58 0.01 -1.26 -0.59 113.70 123.68 2pyx s SER 220 Ca 0.01 0.47 -0.16 0.00 1.31 0.00 0.00 55.95 57.58 2pyx s SER 220 Cb -0.18 -2.04 0.04 0.00 0.21 0.00 0.00 66.02 64.04 2pyx s SER 220 CO 0.02 0.15 0.73 -0.83 0.41 0.00 0.00 173.24 173.73 2pyx s GLY 221 N -2.24 0.35 -0.09 3.44 0.00 -0.98 -4.92 107.32 102.88 2pyx s GLY 221 Ca 0.35 -0.71 0.11 0.00 0.00 0.00 0.00 44.72 44.48 2pyx s GLY 221 CO 0.23 -0.32 0.10 -1.06 0.00 0.00 0.00 173.10 172.05 2pyx n GLN 222 N -0.51 1.63 -3.94 2.90 6.02 0.04 -4.67 117.38 118.85 2pyx n GLN 222 Ca -0.06 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.74 2pyx n GLN 222 Cb 0.60 -1.31 -0.15 0.00 1.02 0.00 0.00 30.24 30.40 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 -4.63 1.49 -0.11 1.08 2.96 -1.07 -4.87 118.68 113.54 2pyx s LEU 223 Ca -0.06 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2pyx s LEU 223 Cb 0.05 -0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.58 2pyx s LEU 223 CO 0.50 -0.05 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.89 2pyx s PHE 224 N 0.59 2.59 -0.24 5.38 0.40 -0.29 -1.24 117.98 125.18 2pyx s PHE 224 Ca -0.06 -1.06 -0.07 0.00 -0.60 0.00 0.00 56.93 55.14 2pyx s PHE 224 Cb -0.08 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 2pyx s PHE 224 CO -0.01 -0.43 0.05 0.42 0.70 0.00 0.00 175.22 175.95 2pyx s ILE 225 N 0.40 4.21 -0.58 0.64 -1.09 0.47 -1.35 121.20 123.90 2pyx s ILE 225 Ca -0.17 -0.21 -0.23 0.00 -2.23 0.00 0.00 60.65 57.81 2pyx s ILE 225 Cb -0.18 -2.96 0.06 0.00 -1.58 0.00 0.00 42.46 37.81 2pyx s ILE 225 CO 0.08 0.36 0.89 -0.62 -1.23 0.00 0.00 174.94 174.42 2pyx s ASP 226 N 1.48 6.25 -0.32 3.58 -1.08 0.92 -0.62 116.67 126.88 2pyx s ASP 226 Ca 0.06 -0.71 0.07 0.00 -0.52 0.00 0.00 52.55 51.45 2pyx s ASP 226 Cb -0.15 -2.40 0.47 0.00 -1.46 0.00 0.00 42.92 39.38 2pyx s ASP 226 CO 0.03 -1.25 1.39 0.00 0.52 0.00 0.00 175.17 175.86 2pyx n THR 228 N -0.96 0.06 -3.75 0.00 -2.24 -1.10 -4.38 114.28 101.92 2pyx n THR 228 Ca 0.38 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2pyx n THR 228 Cb 0.91 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.88 -1.67 0.29 3.38 0.00 -1.26 -4.23 105.19 102.58 2pyx n GLY 229 Ca 0.14 -1.38 0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 1.37 0.00 4.61 0.00 -1.95 0.64 119.26 123.93 2pyx h ALA 230 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pyx h ALA 230 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pyx h ALA 230 CO 0.00 0.05 -0.02 1.57 0.00 0.00 0.00 179.25 180.85 2pyx h LYS 231 N 0.00 0.00 -6.46 0.00 2.10 -1.96 -3.46 116.57 106.80 2pyx h LYS 231 Ca -0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 2pyx h LYS 231 Cb 0.12 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.48 2pyx h LYS 231 CO 0.01 0.02 -0.94 0.45 -2.00 0.00 0.00 179.45 176.98 2pyx n SER 232 N -3.73 -3.61 0.19 7.07 2.88 0.18 -4.58 113.62 112.01 2pyx n SER 232 Ca -0.03 -1.08 0.03 0.00 -1.33 0.00 0.00 58.87 56.46 2pyx n SER 232 Cb 0.10 -2.91 0.37 0.00 -0.75 0.00 0.00 64.21 61.02 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 -2.03 0.00 0.00 2.46 3.38 -1.87 -0.60 115.31 116.66 2pyx h LEU 233 Ca -0.67 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.17 2pyx h LEU 233 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2pyx h LEU 233 CO 0.53 0.37 -1.06 0.18 0.09 0.00 0.00 178.44 178.55 2pyx n LEU 234 N -4.04 1.86 0.01 1.67 4.32 -1.26 -1.58 117.00 117.97 2pyx n LEU 234 Ca -0.02 0.49 -0.10 0.00 -0.02 0.00 0.00 56.01 56.36 2pyx n LEU 234 Cb 0.41 -0.88 -0.08 0.00 -1.62 0.00 0.00 43.42 41.24 2pyx n LEU 234 CO 0.38 -0.07 0.36 0.25 -1.22 0.00 0.00 177.39 177.10 2pyx h LEU 235 N -1.00 -0.10 -0.04 2.23 5.85 -1.92 -0.58 115.31 119.76 2pyx h LEU 235 Ca -0.20 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 2pyx h LEU 235 Cb 0.97 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2pyx h LEU 235 CO -0.12 0.55 -0.16 1.23 -0.34 0.00 0.00 178.44 179.59 2pyx h GLY 236 N -0.89 0.19 0.00 3.75 0.00 -1.56 -2.13 103.07 102.43 2pyx h GLY 236 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2pyx h GLY 236 CO 0.02 0.23 -0.10 0.83 0.00 0.00 0.00 176.54 177.52 2pyx h GLU 237 N -0.40 0.00 -0.58 4.80 4.39 -1.28 -2.07 114.58 119.44 2pyx h GLU 237 Ca -0.01 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2pyx h GLU 237 Cb 0.82 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 2pyx h GLU 237 CO 0.03 0.00 0.38 1.25 -1.16 0.00 0.00 179.01 179.51 2pyx h HIS 238 N -0.51 0.72 -0.02 4.33 2.76 -1.09 -2.91 115.15 118.43 2pyx h HIS 238 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2pyx h HIS 238 Cb 0.10 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2pyx h HIS 238 CO -0.05 0.44 -0.35 1.28 -1.30 0.00 0.00 177.93 177.96 2pyx n LEU 239 N -4.70 1.96 -2.75 0.26 4.77 -0.24 -4.98 117.00 111.32 2pyx n LEU 239 Ca 0.04 -0.69 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 2pyx n LEU 239 Cb 0.03 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2pyx n LEU 239 CO 0.35 0.36 -0.01 0.00 -1.33 0.00 0.00 177.39 176.75 2pyx n GLN 240 N 0.06 -4.42 -2.39 3.23 1.13 -0.78 -4.94 117.38 109.28 2pyx n GLN 240 Ca 0.11 0.84 -0.42 0.00 -1.94 0.00 0.00 57.00 55.58 2pyx n GLN 240 Cb 0.46 -5.53 -0.03 0.00 0.11 0.00 0.00 30.24 25.25 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 -3.12 4.10 0.64 5.09 1.01 -0.83 -4.98 120.40 122.31 2pyx s VAL 241 Ca 0.27 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.51 2pyx s VAL 241 Cb -0.12 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2pyx s VAL 241 CO 0.33 -0.01 1.22 -2.84 0.00 0.00 0.00 175.10 173.80 2pyx s PRO 242 N 2.35 2.66 -0.16 2.72 0.02 -1.26 -4.54 135.00 136.80 2pyx s PRO 242 Ca 0.58 1.83 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 2pyx s PRO 242 Cb -0.26 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2pyx s PRO 242 CO 0.23 -1.45 0.09 0.12 -0.33 0.00 0.00 177.00 175.65 2pyx s PHE 243 N -1.69 3.35 -0.62 6.54 5.36 -1.26 -0.52 117.98 129.14 2pyx s PHE 243 Ca 0.77 0.24 -0.10 0.00 -0.96 0.00 0.00 56.93 56.89 2pyx s PHE 243 Cb -0.31 -2.03 0.16 0.00 -0.34 0.00 0.00 43.02 40.50 2pyx s PHE 243 CO 0.38 0.35 0.51 -0.51 -1.46 0.00 0.00 175.22 174.48 2pyx s LEU 244 N -0.09 5.94 0.28 6.12 1.43 0.63 -4.93 118.68 128.05 2pyx s LEU 244 Ca 0.08 -2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 50.51 2pyx s LEU 244 Cb -0.12 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.95 2pyx s LEU 244 CO 0.01 -0.59 1.44 -0.55 0.23 0.00 0.00 176.35 176.89 2pyx s SER 245 N 2.10 6.62 -0.10 2.29 0.15 -1.26 -2.41 113.70 121.09 2pyx s SER 245 Ca 0.12 2.73 0.14 0.00 0.70 0.00 0.00 55.95 59.63 2pyx s SER 245 Cb -0.20 -2.63 0.31 0.00 -1.71 0.00 0.00 66.02 61.79 2pyx s SER 245 CO -0.03 -0.71 1.22 0.00 1.20 0.00 0.00 173.24 174.91 2pyx n GLN 246 N 1.94 2.33 0.23 5.44 1.13 0.37 -4.72 117.38 124.11 2pyx n GLN 246 Ca 0.05 -2.38 0.07 0.00 -1.94 0.00 0.00 57.00 52.80 2pyx n GLN 246 Cb 0.40 -1.48 0.56 0.00 0.11 0.00 0.00 30.24 29.83 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 0.84 0.00 0.00 -1.09 3.64 -1.91 -1.57 116.57 116.48 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 0.15 0.00 -1.13 -2.27 0.00 0.00 179.45 176.27 2pyx n SER 248 N -4.24 0.00 -0.13 4.20 3.41 -1.26 -0.71 113.62 114.89 2pyx n SER 248 Ca -0.02 0.35 -0.28 0.00 -0.26 0.00 0.00 58.87 58.66 2pyx n SER 248 Cb 0.22 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.43 1.50 0.02 -3.33 0.31 -0.66 -4.41 118.33 110.31 2pyx n VAL 249 Ca 0.06 -0.34 0.04 0.00 -0.01 0.00 0.00 64.34 64.09 2pyx n VAL 249 Cb 0.19 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.12 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 -4.24 0.49 0.00 7.52 4.77 -0.77 -4.89 117.00 119.88 2pyx n LEU 250 Ca -0.51 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2pyx n LEU 250 Cb 0.85 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2pyx n LEU 250 CO 0.04 0.08 0.00 0.49 -1.33 0.00 0.00 177.39 176.68 2pyx n PHE 251 N -2.64 0.00 -1.94 -1.77 3.72 0.11 -4.94 117.46 110.00 2pyx n PHE 251 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 2pyx n PHE 251 Cb 0.75 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.26 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 6.61 -0.01 4.37 0.01 -1.26 -4.58 114.94 120.08 2pyx s ASN 252 Ca 0.00 2.51 0.01 0.00 -0.71 0.00 0.00 52.86 54.67 2pyx s ASN 252 Cb 0.00 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.10 2pyx s ASN 252 CO 0.00 -0.85 0.87 -0.90 -1.51 0.00 0.00 177.10 174.71 2pyx n ASP 253 N 5.01 0.17 -3.96 -1.22 5.68 -0.71 -4.63 116.55 116.89 2pyx n ASP 253 Ca 0.15 -1.79 -0.09 0.00 -0.50 0.00 0.00 54.79 52.56 2pyx n ASP 253 Cb 0.40 -0.15 -0.10 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 -0.18 0.46 -0.01 0.11 1.81 -0.64 -1.65 118.95 118.85 2pyx s ARG 254 Ca 0.02 -0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 53.33 2pyx s ARG 254 Cb 0.01 0.17 0.00 0.00 -0.45 0.00 0.00 34.95 34.69 2pyx s ARG 254 CO 0.00 -0.10 0.02 0.00 -0.68 0.00 0.00 175.30 174.55 2pyx s ALA 255 N -2.08 -0.05 -0.24 2.13 0.00 -0.59 -1.33 121.76 119.60 2pyx s ALA 255 Ca -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2pyx s ALA 255 Cb -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2pyx s ALA 255 CO -0.03 -0.02 -0.09 -0.51 0.00 0.00 0.00 175.76 175.12 2pyx s LEU 256 N 0.10 3.04 0.07 0.00 1.43 -0.17 -0.60 118.68 122.54 2pyx s LEU 256 Ca -0.01 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 2pyx s LEU 256 Cb -0.01 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2pyx s LEU 256 CO -0.00 -0.11 -0.22 0.00 0.23 0.00 0.00 176.35 176.25 2pyx s ALA 257 N 1.31 1.91 -0.05 4.21 0.00 -0.10 -0.87 121.76 128.17 2pyx s ALA 257 Ca 0.00 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.53 2pyx s ALA 257 Cb -0.16 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.67 2pyx s ALA 257 CO -0.06 0.42 0.57 -1.50 0.00 0.00 0.00 175.76 175.20 2pyx s ILE 258 N -0.91 0.02 0.06 0.00 2.07 0.28 -0.81 121.20 121.91 2pyx s ILE 258 Ca 0.09 -0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.12 2pyx s ILE 258 Cb -0.09 -0.88 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 2pyx s ILE 258 CO 0.03 -0.07 0.32 0.00 -1.91 0.00 0.00 174.94 173.31 2pyx s GLN 259 N -1.13 3.63 -0.09 3.50 -2.07 -1.26 -1.15 119.66 121.08 2pyx s GLN 259 Ca -0.11 -0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 2pyx s GLN 259 Cb -0.02 -3.01 0.02 0.00 -1.09 0.00 0.00 33.01 28.92 2pyx s GLN 259 CO 0.08 0.59 -0.07 0.08 -1.32 0.00 0.00 175.29 174.64 2pyx s VAL 260 N -1.41 0.92 0.65 3.63 1.01 0.04 -4.98 120.40 120.26 2pyx s VAL 260 Ca 0.32 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2pyx s VAL 260 Cb -0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2pyx s VAL 260 CO 0.19 0.34 1.09 -2.16 0.00 0.00 0.00 175.10 174.56 2pyx s PRO 261 N 1.49 2.90 0.51 2.72 0.04 -1.26 -0.19 135.00 141.22 2pyx s PRO 261 Ca 0.00 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 2pyx s PRO 261 Cb -0.13 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2pyx s PRO 261 CO -0.05 -1.15 1.15 0.71 0.04 0.00 0.00 177.00 177.70 2pyx s TYR 262 N -2.45 2.73 0.21 0.56 2.02 -1.26 -4.79 117.35 114.36 2pyx s TYR 262 Ca 0.65 1.54 0.32 0.00 -0.37 0.00 0.00 57.07 59.21 2pyx s TYR 262 Cb -0.19 -3.35 1.40 0.00 -0.40 0.00 0.00 41.96 39.43 2pyx s TYR 262 CO 0.42 -1.60 2.01 0.66 -1.57 0.00 0.00 175.55 175.46 2pyx h SER 263 N 1.53 0.00 -5.11 2.29 4.64 -1.98 -3.44 113.55 111.48 2pyx h SER 263 Ca -0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2pyx h SER 263 Cb 1.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 2pyx h SER 263 CO 0.58 0.06 0.06 1.51 -0.87 0.00 0.00 176.83 178.17 2pyx s ASP 264 N -5.79 -0.20 0.39 4.97 -4.77 -1.26 -5.05 116.67 104.96 2pyx s ASP 264 Ca -0.00 -0.70 0.28 0.00 -3.30 0.00 0.00 52.55 48.83 2pyx s ASP 264 Cb 0.10 0.65 1.24 0.00 -1.09 0.00 0.00 42.92 43.82 2pyx s ASP 264 CO 0.55 -1.21 1.85 0.00 0.70 0.00 0.00 175.17 177.06 2pyx h ALA 265 N 2.13 1.00 -0.38 2.11 0.00 -2.01 -1.65 119.26 120.47 2pyx h ALA 265 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pyx h ALA 265 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2pyx h ALA 265 CO 0.30 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.82 2pyx n ASN 266 N -2.59 3.74 -4.74 0.00 6.94 -1.26 -5.05 115.26 112.30 2pyx n ASN 266 Ca 0.01 -2.52 -0.42 0.00 -0.02 0.00 0.00 54.58 51.63 2pyx n ASN 266 Cb 0.22 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 37.20 2pyx n ASN 266 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2pyx n SER 267 N 0.23 3.35 -4.76 0.53 7.64 -0.62 -4.91 113.62 115.07 2pyx n SER 267 Ca 0.19 1.20 -0.40 0.00 1.01 0.00 0.00 58.87 60.87 2pyx n SER 267 Cb 0.72 -1.55 0.02 0.00 -1.01 0.00 0.00 64.21 62.39 2pyx n SER 267 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2pyx s PRO 268 N -1.69 3.61 -0.19 1.43 0.04 -1.26 -4.94 135.00 132.00 2pyx s PRO 268 Ca 0.56 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.95 2pyx s PRO 268 Cb -0.52 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2pyx s PRO 268 CO 0.60 -0.87 0.06 0.42 0.04 0.00 0.00 177.00 177.25 2pyx s ILE 269 N -1.21 4.69 0.44 0.56 1.01 -1.26 -5.06 121.20 120.36 2pyx s ILE 269 Ca 0.62 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 2pyx s ILE 269 Cb -0.44 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.83 2pyx s ILE 269 CO 0.56 0.44 1.20 0.00 0.00 0.00 0.00 174.94 177.14 2pyx s ALA 270 N 0.57 3.07 -0.35 9.38 0.00 -1.26 -4.56 121.76 128.60 2pyx s ALA 270 Ca 0.03 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.26 2pyx s ALA 270 Cb -0.13 -3.41 0.63 0.00 0.00 0.00 0.00 23.12 20.21 2pyx s ALA 270 CO 0.01 -0.68 1.71 0.77 0.00 0.00 0.00 175.76 177.57 2pyx h SER 271 N 2.32 0.00 -4.20 0.00 0.02 -1.84 -3.45 113.55 106.40 2pyx h SER 271 Ca -0.49 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.14 2pyx h SER 271 Cb 1.25 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.63 2pyx h SER 271 CO 0.61 0.00 -0.72 0.00 -1.14 0.00 0.00 176.83 175.58 2pyx s THR 273 N -2.94 2.70 -0.12 0.00 2.01 -0.57 -4.77 115.64 111.95 2pyx s THR 273 Ca 0.11 0.60 -0.07 0.00 0.31 0.00 0.00 61.69 62.64 2pyx s THR 273 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2pyx s THR 273 CO -0.00 0.10 0.13 -1.00 -0.69 0.00 0.00 174.62 173.16 2pyx s HIS 274 N -0.10 3.57 -0.23 4.92 3.76 -0.49 -0.50 115.29 126.21 2pyx s HIS 274 Ca 0.58 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 2pyx s HIS 274 Cb -0.41 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.39 2pyx s HIS 274 CO 0.44 0.69 -0.03 0.45 -0.85 0.00 0.00 174.74 175.44 2pyx s SER 275 N -0.92 3.72 -0.29 1.40 0.15 0.30 -1.31 113.70 116.75 2pyx s SER 275 Ca 0.14 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 55.58 2pyx s SER 275 Cb -0.12 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2pyx s SER 275 CO 0.04 -0.26 0.05 -0.89 1.20 0.00 0.00 173.24 173.38 2pyx s THR 276 N 1.47 3.73 0.50 6.45 2.01 -0.06 -0.88 115.64 128.85 2pyx s THR 276 Ca -0.04 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 2pyx s THR 276 Cb -0.19 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 2pyx s THR 276 CO -0.07 0.09 1.24 0.00 -0.69 0.00 0.00 174.62 175.19 2pyx s ALA 277 N 1.46 2.90 0.41 7.40 0.00 -0.30 -0.78 121.76 132.85 2pyx s ALA 277 Ca 0.02 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.11 2pyx s ALA 277 Cb -0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 2pyx s ALA 277 CO 0.01 -0.96 0.13 -0.65 0.00 0.00 0.00 175.76 174.29 2pyx s GLN 278 N -2.80 1.94 0.53 0.00 -1.52 0.04 -4.86 119.66 113.00 2pyx s GLN 278 Ca 0.67 -2.18 0.19 0.00 -1.95 0.00 0.00 55.36 52.09 2pyx s GLN 278 Cb -0.33 -0.62 1.37 0.00 -0.22 0.00 0.00 33.01 33.21 2pyx s GLN 278 CO 0.40 -0.48 2.16 -1.35 -0.25 0.00 0.00 175.29 175.77 2pyx h PRO 279 N 1.78 0.00 -0.02 2.91 0.11 -1.99 -3.23 132.00 131.56 2pyx h PRO 279 Ca -0.35 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 2pyx h PRO 279 Cb 1.27 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.12 2pyx h PRO 279 CO 0.57 0.00 -0.87 0.09 -0.21 0.00 0.00 178.00 177.58 2pyx n ASN 280 N -4.41 1.28 0.00 -2.05 3.02 -1.26 -4.50 115.26 107.34 2pyx n ASN 280 Ca -0.02 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 2pyx n ASN 280 Cb 0.12 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.05 -0.23 3.33 7.41 0.00 -1.22 -2.48 105.19 111.95 2pyx n GLY 281 Ca 0.11 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.29 -0.18 1.61 1.48 -0.43 -0.78 118.94 116.34 2pyx s TRP 282 Ca 0.00 0.29 -0.04 0.00 -1.06 0.00 0.00 56.10 55.29 2pyx s TRP 282 Cb 0.00 0.23 -0.02 0.00 -1.16 0.00 0.00 33.47 32.52 2pyx s TRP 282 CO 0.00 -0.57 -0.04 0.42 -4.06 0.00 0.00 176.95 172.71 2pyx s ILE 283 N -2.34 3.70 0.36 0.66 1.01 0.04 -0.57 121.20 124.06 2pyx s ILE 283 Ca -0.06 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 2pyx s ILE 283 Cb -0.01 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 2pyx s ILE 283 CO -0.01 0.46 0.72 -1.66 0.00 0.00 0.00 174.94 174.44 2pyx s TRP 284 N 0.83 3.44 -0.25 3.97 -2.14 0.71 -0.88 118.94 124.63 2pyx s TRP 284 Ca -0.01 1.02 -0.02 0.00 2.66 0.00 0.00 56.10 59.75 2pyx s TRP 284 Cb -0.15 -2.41 0.13 0.00 -3.10 0.00 0.00 33.47 27.95 2pyx s TRP 284 CO 0.02 0.01 0.37 0.34 -2.66 0.00 0.00 176.95 175.02 2pyx s ASP 285 N -2.89 0.31 -0.23 -2.66 -1.08 -0.43 -2.12 116.67 107.58 2pyx s ASP 285 Ca 0.51 0.16 -0.03 0.00 -0.52 0.00 0.00 52.55 52.66 2pyx s ASP 285 Cb -0.10 1.08 0.01 0.00 -1.46 0.00 0.00 42.92 42.45 2pyx s ASP 285 CO 0.27 -0.31 -0.05 -0.63 0.52 0.00 0.00 175.17 174.97 2pyx s ILE 286 N 2.54 3.14 -0.32 4.11 1.01 0.34 -1.39 121.20 130.62 2pyx s ILE 286 Ca 0.12 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2pyx s ILE 286 Cb -0.15 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 2pyx s ILE 286 CO -0.17 0.33 0.68 -0.83 0.00 0.00 0.00 174.94 174.96 2pyx s GLY 287 N 1.41 1.74 0.43 6.18 0.00 -1.26 -0.90 107.32 114.93 2pyx s GLY 287 Ca 0.04 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.20 2pyx s GLY 287 CO -0.04 1.56 0.55 1.08 0.00 0.00 0.00 173.10 176.24 2pyx s LEU 288 N 2.76 3.55 0.28 0.66 1.43 0.08 -4.65 118.68 122.79 2pyx s LEU 288 Ca 0.27 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2pyx s LEU 288 Cb -0.14 -2.44 0.44 0.00 0.03 0.00 0.00 46.19 44.08 2pyx s LEU 288 CO 0.13 -0.79 1.89 -0.65 0.23 0.00 0.00 176.35 177.17 2pyx h PRO 289 N 0.69 1.11 0.00 1.29 0.11 -1.81 -3.28 132.00 130.10 2pyx h PRO 289 Ca -0.39 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 2pyx h PRO 289 Cb 1.28 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2pyx h PRO 289 CO 0.47 0.73 -1.89 0.25 -0.21 0.00 0.00 178.00 177.36 2pyx n THR 290 N -4.49 1.12 -3.82 -1.15 -2.24 -1.26 -5.04 114.28 97.39 2pyx n THR 290 Ca 0.15 -0.73 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 2pyx n THR 290 Cb 0.18 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 2pyx n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pyx s ARG 291 N -2.83 1.08 0.12 -0.78 1.70 -1.24 -4.25 118.95 112.76 2pyx s ARG 291 Ca -0.06 -0.66 0.06 0.00 -0.47 0.00 0.00 55.73 54.60 2pyx s ARG 291 Cb 0.09 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2pyx s ARG 291 CO 0.84 -0.50 -0.04 0.15 -1.08 0.00 0.00 175.30 174.66 2pyx s LYS 292 N -2.51 2.34 -0.14 3.89 1.02 0.74 -0.74 119.74 124.35 2pyx s LYS 292 Ca 0.19 -0.98 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 2pyx s LYS 292 Cb -0.01 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2pyx s LYS 292 CO 0.03 0.51 -0.04 0.20 -0.92 0.00 0.00 175.35 175.12 2pyx s GLY 293 N -2.43 1.72 -0.00 -3.33 0.00 -0.08 -0.78 107.32 102.41 2pyx s GLY 293 Ca 0.25 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.16 2pyx s GLY 293 CO 0.17 -0.21 -0.07 0.14 0.00 0.00 0.00 173.10 173.13 2pyx s VAL 294 N 0.07 0.56 -0.17 1.40 1.01 -0.30 -0.50 120.40 122.47 2pyx s VAL 294 Ca -0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2pyx s VAL 294 Cb -0.13 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.81 2pyx s VAL 294 CO 0.03 0.13 0.48 -0.83 0.00 0.00 0.00 175.10 174.92 2pyx s GLY 295 N -0.23 -0.36 -0.32 4.51 0.00 -0.90 -0.56 107.32 109.46 2pyx s GLY 295 Ca 0.02 1.30 -0.15 0.00 0.00 0.00 0.00 44.72 45.89 2pyx s GLY 295 CO -0.00 1.10 0.37 -0.47 0.00 0.00 0.00 173.10 174.10 2pyx s TYR 296 N 0.09 3.22 -0.22 1.90 5.04 -0.05 -0.21 117.35 127.12 2pyx s TYR 296 Ca -0.01 0.09 -0.17 0.00 -2.44 0.00 0.00 57.07 54.54 2pyx s TYR 296 Cb -0.03 -2.65 -0.04 0.00 0.35 0.00 0.00 41.96 39.59 2pyx s TYR 296 CO 0.01 -0.38 0.44 0.08 -1.34 0.00 0.00 175.55 174.36 2pyx s VAL 297 N 2.04 5.16 0.21 3.14 1.01 0.27 -1.00 120.40 131.23 2pyx s VAL 297 Ca 0.13 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 2pyx s VAL 297 Cb -0.16 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 2pyx s VAL 297 CO 0.11 0.20 0.42 -0.72 0.00 0.00 0.00 175.10 175.11 2pyx s TYR 298 N 1.62 0.31 -0.31 5.22 1.13 -0.44 -1.32 117.35 123.56 2pyx s TYR 298 Ca 0.20 -0.67 -0.12 0.00 -1.41 0.00 0.00 57.07 55.08 2pyx s TYR 298 Cb -0.15 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.80 2pyx s TYR 298 CO 0.09 -0.88 0.21 0.45 -2.51 0.00 0.00 175.55 172.90 2pyx s SER 299 N -2.98 5.96 0.60 -0.18 0.15 -1.03 -1.62 113.70 114.60 2pyx s SER 299 Ca 0.19 -0.26 0.39 0.00 0.70 0.00 0.00 55.95 56.97 2pyx s SER 299 Cb 0.01 -2.11 1.85 0.00 -1.71 0.00 0.00 66.02 64.06 2pyx s SER 299 CO 0.04 -0.15 2.16 0.77 1.20 0.00 0.00 173.24 177.26 2pyx h SER 300 N 8.42 0.00 -0.02 5.45 4.64 -1.82 -0.86 113.55 129.36 2pyx h SER 300 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2pyx h SER 300 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2pyx h SER 300 CO 0.60 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 2pyx n SER 301 N -3.09 0.54 -0.03 4.97 3.41 -1.26 -3.94 113.62 114.22 2pyx n SER 301 Ca -0.01 -1.29 -0.03 0.00 -0.26 0.00 0.00 58.87 57.28 2pyx n SER 301 Cb 0.20 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.53 0.00 -3.93 7.33 -0.00 -0.42 -5.07 115.22 112.60 2pyx n HIS 302 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2pyx n HIS 302 Cb 0.18 -0.27 -0.11 0.00 -0.00 0.00 0.00 29.99 29.79 2pyx n HIS 302 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2pyx s THR 303 N -2.14 0.08 0.94 1.59 -1.32 -0.66 -5.04 115.64 109.09 2pyx s THR 303 Ca -0.05 -0.66 -0.15 0.00 -1.21 0.00 0.00 61.69 59.62 2pyx s THR 303 Cb 0.02 -0.24 0.18 0.00 -1.51 0.00 0.00 72.50 70.95 2pyx s THR 303 CO 0.21 -0.36 1.30 0.54 -2.21 0.00 0.00 174.62 174.10 2pyx s ASN 304 N -1.09 3.32 0.10 8.08 2.20 -1.26 -4.25 114.94 122.03 2pyx s ASN 304 Ca -0.12 0.35 0.10 0.00 -0.94 0.00 0.00 52.86 52.25 2pyx s ASN 304 Cb -0.07 -0.47 -0.18 0.00 -2.00 0.00 0.00 41.25 38.53 2pyx s ASN 304 CO -0.00 -2.62 1.13 0.44 -2.94 0.00 0.00 177.10 173.11 2pyx h ASP 305 N -1.56 0.00 -0.07 3.54 3.32 -1.98 -2.35 116.42 117.31 2pyx h ASP 305 Ca -0.45 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.62 2pyx h ASP 305 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2pyx h ASP 305 CO 0.42 0.92 -0.06 0.40 -1.72 0.00 0.00 179.24 179.21 2pyx h ILE 306 N 0.00 0.82 -0.18 0.35 2.04 -2.00 -0.17 117.51 118.38 2pyx h ILE 306 Ca -0.08 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 2pyx h ILE 306 Cb 1.77 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2pyx h ILE 306 CO 0.11 0.00 -0.46 0.44 0.00 0.00 0.00 178.15 178.24 2pyx h ASP 307 N -0.07 0.50 -0.58 1.72 3.32 -1.96 -2.20 116.42 117.15 2pyx h ASP 307 Ca 0.05 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 2pyx h ASP 307 Cb 0.14 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2pyx h ASP 307 CO -0.11 0.88 0.18 0.00 -1.72 0.00 0.00 179.24 178.47 2pyx h ALA 308 N 1.14 0.76 -0.69 3.45 0.00 -1.19 -1.41 119.26 121.31 2pyx h ALA 308 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2pyx h ALA 308 Cb 0.95 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2pyx h ALA 308 CO 0.08 0.43 0.31 0.37 0.00 0.00 0.00 179.25 180.45 2pyx h GLN 309 N 0.82 1.01 -0.66 0.00 4.15 -0.89 -1.17 115.11 118.39 2pyx h GLN 309 Ca 0.19 -0.16 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2pyx h GLN 309 Cb 0.29 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2pyx h GLN 309 CO -0.00 0.82 0.41 -0.22 -1.93 0.00 0.00 178.83 177.90 2pyx h LYS 310 N 0.97 0.77 -0.59 1.69 1.63 -1.02 0.08 116.57 120.10 2pyx h LYS 310 Ca 0.24 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2pyx h LYS 310 Cb 0.15 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2pyx h LYS 310 CO -0.03 0.51 0.39 1.15 -3.45 0.00 0.00 179.45 178.03 2pyx h THR 311 N 0.79 1.15 0.16 1.00 2.02 -0.88 0.19 112.91 117.35 2pyx h THR 311 Ca 0.27 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2pyx h THR 311 Cb 0.03 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2pyx h THR 311 CO -0.11 0.15 -0.09 0.25 0.37 0.00 0.00 175.52 176.09 2pyx h LEU 312 N 0.81 -0.22 -1.31 2.58 5.85 -0.71 -1.76 115.31 120.55 2pyx h LEU 312 Ca 0.22 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2pyx h LEU 312 Cb -0.09 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2pyx h LEU 312 CO -0.05 -0.15 0.31 -0.26 -0.34 0.00 0.00 178.44 177.95 2pyx h PHE 313 N -0.23 0.76 -0.54 1.25 0.04 -0.72 -1.35 116.94 116.15 2pyx h PHE 313 Ca -0.02 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.76 2pyx h PHE 313 Cb 0.19 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2pyx h PHE 313 CO -0.08 0.54 0.34 -0.91 -0.60 0.00 0.00 178.31 177.60 2pyx h ASN 314 N 0.79 0.56 -0.82 2.17 2.35 -0.74 0.33 115.58 120.21 2pyx h ASN 314 Ca 0.20 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 2pyx h ASN 314 Cb 0.03 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 2pyx h ASN 314 CO -0.03 0.40 0.53 0.22 -1.65 0.00 0.00 177.43 176.89 2pyx h TYR 315 N 0.68 1.00 0.00 1.19 3.20 -0.55 -1.73 116.97 120.76 2pyx h TYR 315 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2pyx h TYR 315 Cb -0.01 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2pyx h TYR 315 CO -0.05 0.58 0.00 -0.07 -1.64 0.00 0.00 178.16 176.98 2pyx h LEU 316 N 1.04 0.00 0.43 2.82 3.38 -0.68 -3.47 115.31 118.83 2pyx h LEU 316 Ca 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 2pyx h LEU 316 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2pyx h LEU 316 CO -0.11 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 178.96 2pyx n GLY 317 N 0.34 0.26 3.36 0.83 0.00 0.04 -5.05 105.19 104.97 2pyx n GLY 317 Ca 0.02 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.15 2.36 0.21 1.61 -7.23 -0.80 -5.04 120.40 109.36 2pyx s VAL 318 Ca 0.00 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2pyx s VAL 318 Cb 0.00 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2pyx s VAL 318 CO 0.00 0.58 0.24 -0.90 -0.31 0.00 0.00 175.10 174.72 2pyx n ASP 319 N 2.40 -0.66 0.00 4.85 5.68 -1.26 -4.41 116.55 123.16 2pyx n ASP 319 Ca -0.16 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 51.88 2pyx n ASP 319 Cb 0.51 1.32 0.00 0.00 -1.14 0.00 0.00 41.12 41.82 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 -0.37 2.90 0.19 6.12 0.00 -1.26 -2.51 105.19 110.26 2pyx n GLY 320 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.00 1.26 -0.30 4.61 0.00 -2.00 -1.80 119.26 120.04 2pyx h ALA 321 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2pyx h ALA 321 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2pyx h ALA 321 CO 0.00 0.53 0.16 0.00 0.00 0.00 0.00 179.25 179.95 2pyx h ALA 322 N 1.53 0.38 -0.54 0.00 0.00 -1.96 -2.49 119.26 116.18 2pyx h ALA 322 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2pyx h ALA 322 Cb 0.74 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2pyx h ALA 322 CO 0.06 -0.09 0.16 0.00 0.00 0.00 0.00 179.25 179.38 2pyx h ALA 323 N 1.04 1.27 0.00 0.00 0.00 -1.12 -2.38 119.26 118.07 2pyx h ALA 323 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2pyx h ALA 323 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pyx h ALA 323 CO -0.02 0.52 -0.07 -0.44 0.00 0.00 0.00 179.25 179.24 2pyx h ASP 324 N 0.79 0.00 1.84 0.00 3.32 -0.97 -2.25 116.42 119.15 2pyx h ASP 324 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pyx h ASP 324 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2pyx h ASP 324 CO -0.01 0.07 0.00 0.11 -1.72 0.00 0.00 179.24 177.69 2pyx h LYS 325 N 0.00 0.00 -6.95 3.56 6.56 -1.00 -3.46 116.57 115.28 2pyx h LYS 325 Ca -0.00 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.09 2pyx h LYS 325 Cb 0.14 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 31.85 2pyx h LYS 325 CO 0.01 0.00 0.47 -0.51 -2.06 0.00 0.00 179.45 177.36 2pyx s LEU 326 N -6.07 4.17 -0.58 2.94 1.43 -0.85 -5.01 118.68 114.71 2pyx s LEU 326 Ca 0.07 2.25 0.06 0.00 -1.03 0.00 0.00 54.13 55.48 2pyx s LEU 326 Cb 0.06 -4.08 0.24 0.00 0.03 0.00 0.00 46.19 42.43 2pyx s LEU 326 CO 0.65 -0.64 0.64 -0.62 0.23 0.00 0.00 176.35 176.61 2pyx n GLU 327 N -0.00 1.89 -1.94 1.70 1.02 -1.26 -5.06 120.64 116.98 2pyx n GLU 327 Ca 0.05 -4.23 -0.35 0.00 -0.02 0.00 0.00 57.16 52.61 2pyx n GLU 327 Cb 0.47 -1.98 0.04 0.00 -0.02 0.00 0.00 31.44 29.95 2pyx n GLU 327 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2pyx s PRO 328 N -1.91 2.91 -0.15 3.49 0.04 -1.26 -4.92 135.00 133.20 2pyx s PRO 328 Ca 0.36 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2pyx s PRO 328 Cb 0.12 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2pyx s PRO 328 CO -0.06 -1.22 -0.03 1.03 0.04 0.00 0.00 177.00 176.76 2pyx s ARG 329 N -3.54 3.59 -0.21 4.56 0.52 0.01 -4.89 118.95 118.99 2pyx s ARG 329 Ca 0.74 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 2pyx s ARG 329 Cb -0.27 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 2pyx s ARG 329 CO 0.35 0.31 0.27 -1.14 0.02 0.00 0.00 175.30 175.12 2pyx s GLN 330 N 0.17 4.15 -0.00 3.54 2.00 -1.26 -0.92 119.66 127.34 2pyx s GLN 330 Ca -0.01 -0.02 0.07 0.00 -2.00 0.00 0.00 55.36 53.41 2pyx s GLN 330 Cb -0.14 -3.51 -0.02 0.00 0.80 0.00 0.00 33.01 30.15 2pyx s GLN 330 CO 0.03 0.07 -0.23 -1.17 -0.50 0.00 0.00 175.29 173.49 2pyx s LEU 331 N 1.00 2.07 0.05 3.68 2.96 0.23 -5.00 118.68 123.67 2pyx s LEU 331 Ca 0.14 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2pyx s LEU 331 Cb -0.14 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 2pyx s LEU 331 CO 0.05 0.26 -0.26 0.00 -1.32 0.00 0.00 176.35 175.08 2pyx s ALA 332 N -0.60 2.26 0.18 5.97 0.00 -1.26 -1.55 121.76 126.77 2pyx s ALA 332 Ca 0.09 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 2pyx s ALA 332 Cb -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2pyx s ALA 332 CO -0.00 0.53 0.22 0.96 0.00 0.00 0.00 175.76 177.48 2pyx s ILE 333 N -0.82 0.04 -0.40 0.00 -4.36 -0.66 -4.99 121.20 110.01 2pyx s ILE 333 Ca 0.12 -1.70 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 2pyx s ILE 333 Cb -0.10 -2.17 0.10 0.00 1.25 0.00 0.00 42.46 41.54 2pyx s ILE 333 CO 0.02 -0.18 0.20 0.21 0.24 0.00 0.00 174.94 175.43 2pyx s ASN 334 N -3.06 5.31 0.25 4.36 2.47 -1.26 -4.68 114.94 118.34 2pyx s ASN 334 Ca 0.27 -1.81 -0.30 0.00 0.42 0.00 0.00 52.86 51.43 2pyx s ASN 334 Cb 0.05 -1.86 -0.11 0.00 -1.45 0.00 0.00 41.25 37.88 2pyx s ASN 334 CO 0.06 -0.52 1.51 -2.16 -3.72 0.00 0.00 177.10 172.28 2pyx s PRO 335 N 1.23 4.21 0.00 0.43 0.04 -1.26 -4.88 135.00 134.76 2pyx s PRO 335 Ca 0.05 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2pyx s PRO 335 Cb -0.23 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2pyx s PRO 335 CO -0.02 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2pyx n GLY 336 N 2.40 -1.33 3.16 0.56 0.00 -0.47 -0.48 105.19 109.03 2pyx n GLY 336 Ca 0.08 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.00 0.09 0.52 1.61 1.13 -1.01 -0.79 117.35 115.90 2pyx s TYR 337 Ca 0.00 -0.33 -0.20 0.00 -1.41 0.00 0.00 57.07 55.13 2pyx s TYR 337 Cb 0.00 -0.06 -0.06 0.00 -1.10 0.00 0.00 41.96 40.74 2pyx s TYR 337 CO 0.00 -0.41 1.12 1.03 -2.51 0.00 0.00 175.55 174.78 2pyx s ARG 338 N -2.54 3.49 0.47 -3.49 1.81 0.62 -0.27 118.95 119.03 2pyx s ARG 338 Ca -0.05 1.60 0.14 0.00 -1.72 0.00 0.00 55.73 55.70 2pyx s ARG 338 Cb -0.01 -2.09 1.08 0.00 -0.45 0.00 0.00 34.95 33.48 2pyx s ARG 338 CO -0.04 -0.74 2.05 0.00 -0.68 0.00 0.00 175.30 175.89 2pyx h ALA 339 N 1.40 1.80 -2.69 2.13 0.00 -1.11 -3.42 119.26 117.37 2pyx h ALA 339 Ca -0.50 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.04 2pyx h ALA 339 Cb 1.25 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 2pyx h ALA 339 CO 0.58 0.15 -0.72 0.15 0.00 0.00 0.00 179.25 179.41 2pyx s LYS 340 N -4.86 0.75 0.04 0.00 1.02 -1.26 -4.91 119.74 110.51 2pyx s LYS 340 Ca -0.05 -1.10 0.22 0.00 0.02 0.00 0.00 55.97 55.07 2pyx s LYS 340 Cb 0.16 -0.35 -0.07 0.00 -0.52 0.00 0.00 37.83 37.06 2pyx s LYS 340 CO 0.69 0.04 0.91 0.00 -0.92 0.00 0.00 175.35 176.07 2pyx s TRP 342 N -3.24 1.24 -0.04 0.00 -0.11 -1.26 -0.38 118.94 115.15 2pyx s TRP 342 Ca 0.02 -0.73 0.01 0.00 1.22 0.00 0.00 56.10 56.62 2pyx s TRP 342 Cb 0.14 -1.10 0.02 0.00 -1.50 0.00 0.00 33.47 31.03 2pyx s TRP 342 CO 0.83 -0.52 -0.06 -1.14 -4.62 0.00 0.00 176.95 171.44 2pyx s GLN 343 N 1.79 0.96 4.08 5.86 2.00 -0.23 -4.95 119.66 129.16 2pyx s GLN 343 Ca 0.02 -0.16 0.00 0.00 -2.00 0.00 0.00 55.36 53.22 2pyx s GLN 343 Cb -0.14 -0.91 0.00 0.00 0.80 0.00 0.00 33.01 32.76 2pyx s GLN 343 CO -0.07 -0.05 0.00 0.09 -0.50 0.00 0.00 175.29 174.76 2pyx n ASN 344 N 3.94 0.00 -1.84 6.67 4.13 -1.26 -1.35 115.26 125.55 2pyx n ASN 344 Ca -0.25 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 55.82 2pyx n ASN 344 Cb 0.51 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.89 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 4.46 4.41 -4.04 6.41 6.94 -1.26 -4.93 115.26 127.26 2pyx n ASN 345 Ca 0.00 -3.75 -0.26 0.00 -0.02 0.00 0.00 54.58 50.56 2pyx n ASN 345 Cb 0.00 -0.72 -0.17 0.00 -2.36 0.00 0.00 39.78 36.53 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 0.73 2.17 -0.08 0.00 1.01 -0.45 -1.06 121.20 123.50 2pyx s ILE 347 Ca -0.13 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.39 2pyx s ILE 347 Cb -0.16 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2pyx s ILE 347 CO 0.03 0.55 0.41 0.00 0.00 0.00 0.00 174.94 175.93 2pyx s ALA 348 N 0.52 3.58 -0.04 9.38 0.00 0.49 -0.06 121.76 135.62 2pyx s ALA 348 Ca -0.14 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2pyx s ALA 348 Cb -0.17 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.47 2pyx s ALA 348 CO 0.05 0.19 -0.05 0.42 0.00 0.00 0.00 175.76 176.37 2pyx s ILE 349 N -0.02 0.58 0.00 0.00 1.01 -0.38 -4.55 121.20 117.84 2pyx s ILE 349 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2pyx s ILE 349 Cb -0.15 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.73 2pyx s ILE 349 CO 0.10 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2pyx n GLY 350 N 3.92 2.13 3.46 6.18 0.00 -1.26 -4.31 105.19 115.30 2pyx n GLY 350 Ca -0.25 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.01 4.61 0.00 -0.97 -3.04 120.51 121.12 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 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 0.17 0.00 0.00 0.00 -1.83 -3.43 119.26 114.17 2pyx h ALA 353 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2pyx h ALA 353 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pyx h ALA 353 CO 0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2pyx n GLY 354 N 1.75 0.37 3.64 0.00 0.00 -1.17 -0.28 105.19 109.51 2pyx n GLY 354 Ca -0.25 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.51 0.38 1.61 5.36 0.03 -4.90 117.98 117.96 2pyx s PHE 355 Ca 0.00 1.20 0.05 0.00 -0.96 0.00 0.00 56.93 57.22 2pyx s PHE 355 Cb 0.00 0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 43.02 2pyx s PHE 355 CO 0.00 -0.24 0.19 0.96 -1.46 0.00 0.00 175.22 174.67 2pyx s ILE 356 N 0.39 0.33 0.56 3.12 -0.00 -1.26 -1.37 121.20 122.96 2pyx s ILE 356 Ca 0.01 -2.00 -0.19 0.00 -0.00 0.00 0.00 60.65 58.48 2pyx s ILE 356 Cb -0.05 -2.38 -0.08 0.00 -0.00 0.00 0.00 42.46 39.95 2pyx s ILE 356 CO -0.07 0.00 0.65 -1.84 -0.00 0.00 0.00 174.94 173.68 2pyx n GLU 357 N -0.81 0.64 0.00 0.37 0.28 -1.26 -4.82 120.64 115.04 2pyx n GLU 357 Ca -0.01 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 2pyx n GLU 357 Cb 0.64 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.70 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 -0.21 0.90 -1.91 3.44 -0.04 -1.26 -4.83 135.00 131.09 2pyx n PRO 358 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 2pyx n PRO 358 Cb 0.46 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 4.37 -0.36 1.53 2.96 -1.26 -1.37 118.68 124.55 2pyx s LEU 359 Ca 0.00 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 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 -0.91 0.00 -0.62 -1.32 0.00 0.00 176.35 173.50 2pyx n GLU 360 N 5.95 -1.11 -3.66 1.98 -0.58 -1.26 -4.30 120.64 117.66 2pyx n GLU 360 Ca 0.16 0.47 -0.29 0.00 -0.42 0.00 0.00 57.16 57.08 2pyx n GLU 360 Cb 0.41 -4.41 0.04 0.00 -0.57 0.00 0.00 31.44 26.91 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 1.06 -2.49 0.58 0.62 0.00 -0.47 -4.88 120.51 114.93 2pyx n ALA 361 Ca -0.03 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.33 2pyx n ALA 361 Cb 0.33 -4.03 0.34 0.00 0.00 0.00 0.00 19.45 16.09 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 -1.82 0.00 0.40 0.00 4.64 -1.82 -3.39 113.55 111.55 2pyx h SER 362 Ca -0.66 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.61 2pyx h SER 362 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2pyx h SER 362 CO 0.49 0.02 -0.19 0.00 -0.87 0.00 0.00 176.83 176.28 2pyx h ALA 363 N 2.47 -0.53 -0.27 5.18 0.00 -1.91 -0.69 119.26 123.51 2pyx h ALA 363 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2pyx h ALA 363 Cb 0.76 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2pyx h ALA 363 CO 0.00 -0.65 -0.30 -0.07 0.00 0.00 0.00 179.25 178.23 2pyx h LEU 364 N -0.83 0.57 -0.96 0.00 3.38 -1.84 -2.70 115.31 112.93 2pyx h LEU 364 Ca -0.05 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.76 2pyx h LEU 364 Cb 0.54 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2pyx h LEU 364 CO 0.09 0.84 0.62 0.00 0.09 0.00 0.00 178.44 180.08 2pyx h ALA 365 N 1.20 1.31 -0.39 1.53 0.00 -1.70 0.23 119.26 121.45 2pyx h ALA 365 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pyx h ALA 365 Cb 0.76 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pyx h ALA 365 CO 0.06 0.43 -0.06 -0.07 0.00 0.00 0.00 179.25 179.61 2pyx h LEU 366 N 1.14 0.72 -0.09 0.00 3.38 -0.99 -0.38 115.31 119.09 2pyx h LEU 366 Ca 0.41 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2pyx h LEU 366 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2pyx h LEU 366 CO -0.16 0.89 -0.10 0.40 0.09 0.00 0.00 178.44 179.57 2pyx h ILE 367 N 0.53 0.72 -0.45 1.22 2.04 -1.11 -0.13 117.51 120.34 2pyx h ILE 367 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2pyx h ILE 367 Cb 0.56 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2pyx h ILE 367 CO 0.03 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 178.05 2pyx h GLU 368 N -0.13 0.38 -0.08 2.37 5.08 -0.86 -0.53 114.58 120.81 2pyx h GLU 368 Ca 0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pyx h GLU 368 Cb 0.23 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2pyx h GLU 368 CO -0.17 0.25 0.04 2.35 -1.00 0.00 0.00 179.01 180.49 2pyx h TRP 369 N 0.40 0.11 -0.35 4.33 7.01 -0.84 0.45 115.95 127.05 2pyx h TRP 369 Ca 0.20 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.12 2pyx h TRP 369 Cb 0.15 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2pyx h TRP 369 CO -0.12 0.15 -0.10 1.15 -2.79 0.00 0.00 178.44 176.73 2pyx h THR 370 N 0.04 1.28 -0.42 2.65 2.02 -0.82 -0.08 112.91 117.58 2pyx h THR 370 Ca 0.03 -1.17 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 2pyx h THR 370 Cb 0.07 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2pyx h THR 370 CO -0.00 0.38 -0.14 0.00 0.37 0.00 0.00 175.52 176.13 2pyx h ALA 371 N 0.81 0.58 -0.57 6.16 0.00 -1.07 -1.23 119.26 123.95 2pyx h ALA 371 Ca 0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2pyx h ALA 371 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pyx h ALA 371 CO 0.04 0.49 -0.02 0.77 0.00 0.00 0.00 179.25 180.53 2pyx h SER 372 N 0.65 1.00 -0.49 0.00 0.02 -0.78 -1.09 113.55 112.87 2pyx h SER 372 Ca 0.10 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.62 2pyx h SER 372 Cb 0.69 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2pyx h SER 372 CO 0.05 1.08 -0.16 0.71 -1.14 0.00 0.00 176.83 177.37 2pyx h THR 373 N 0.90 1.27 -0.63 -2.27 1.35 -0.89 -0.53 112.91 112.11 2pyx h THR 373 Ca 0.16 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2pyx h THR 373 Cb 0.58 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 2pyx h THR 373 CO 0.03 0.45 0.40 0.25 -0.25 0.00 0.00 175.52 176.40 2pyx h LEU 374 N 0.82 0.74 -0.89 3.87 5.85 -1.10 -0.08 115.31 124.52 2pyx h LEU 374 Ca 0.12 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 2pyx h LEU 374 Cb 0.72 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2pyx h LEU 374 CO 0.06 0.56 0.01 0.00 -0.34 0.00 0.00 178.44 178.73 2pyx h ALA 375 N 1.21 1.08 0.00 1.25 0.00 -0.91 -0.72 119.26 121.16 2pyx h ALA 375 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pyx h ALA 375 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2pyx h ALA 375 CO -0.05 0.58 0.00 1.96 0.00 0.00 0.00 179.25 181.75 2pyx h GLN 376 N 0.77 0.00 -0.35 0.00 4.20 -0.72 -3.31 115.11 115.70 2pyx h GLN 376 Ca 0.15 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.59 2pyx h GLN 376 Cb 0.45 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.95 2pyx h GLN 376 CO 0.02 0.00 -0.79 1.04 -0.67 0.00 0.00 178.83 178.43 2pyx n GLN 377 N -2.93 2.17 -1.68 1.46 6.02 -0.07 -5.06 117.38 117.29 2pyx n GLN 377 Ca 0.04 -3.49 -0.52 0.00 -0.01 0.00 0.00 57.00 53.02 2pyx n GLN 377 Cb 0.46 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 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 -0.67 3.02 -4.74 1.08 7.94 -0.31 -4.85 117.00 118.47 2pyx n LEU 378 Ca 0.25 0.96 -0.42 0.00 -1.11 0.00 0.00 56.01 55.69 2pyx n LEU 378 Cb 0.88 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.51 2pyx n LEU 378 CO 0.14 -0.22 1.27 -2.84 -1.11 0.00 0.00 177.39 174.63 2pyx s PRO 379 N 4.10 4.15 0.39 1.96 0.02 -1.26 -4.89 135.00 139.47 2pyx s PRO 379 Ca 0.96 2.53 0.11 0.00 0.02 0.00 0.00 61.00 64.61 2pyx s PRO 379 Cb -0.83 -3.07 0.90 0.00 0.02 0.00 0.00 34.50 31.53 2pyx s PRO 379 CO 0.56 -0.64 1.93 -1.35 -0.33 0.00 0.00 177.00 177.16 2pyx h PRO 380 N 5.79 0.56 -2.44 5.54 0.11 -1.93 -3.37 132.00 136.26 2pyx h PRO 380 Ca -0.45 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.79 2pyx h PRO 380 Cb 1.21 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 2pyx h PRO 380 CO 0.86 0.37 0.51 0.54 -0.21 0.00 0.00 178.00 180.07 2pyx s ASN 381 N -6.02 -0.10 0.00 -2.05 2.20 -1.26 -2.68 114.94 105.03 2pyx s ASN 381 Ca -0.09 -0.55 -0.02 0.00 -0.94 0.00 0.00 52.86 51.27 2pyx s ASN 381 Cb 0.21 0.51 -0.07 0.00 -2.00 0.00 0.00 41.25 39.90 2pyx s ASN 381 CO 0.77 -0.98 1.75 -1.14 -2.94 0.00 0.00 177.10 174.56 2pyx n ARG 382 N -0.55 0.88 0.00 3.55 3.00 -1.26 -4.89 116.66 117.38 2pyx n ARG 382 Ca -0.05 -0.27 0.00 0.00 -0.00 0.00 0.00 57.85 57.53 2pyx n ARG 382 Cb 0.60 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.60 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 2.13 0.00 0.00 5.15 0.24 -1.26 -5.03 118.33 119.57 2pyx n VAL 384 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2pyx n VAL 384 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.17 -1.34 9.92 -1.26 -3.38 116.55 120.32 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 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 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 1.23 -0.11 -3.53 2.02 -1.99 -0.46 112.91 110.07 2pyx h THR 387 Ca 0.00 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 2pyx h THR 387 Cb 0.00 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2pyx h THR 387 CO 0.00 0.29 -0.29 0.40 0.37 0.00 0.00 175.52 176.29 2pyx h ILE 388 N 0.66 1.39 -0.48 3.11 2.04 -1.96 -2.96 117.51 119.31 2pyx h ILE 388 Ca 0.15 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 2pyx h ILE 388 Cb 0.30 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2pyx h ILE 388 CO -0.00 0.47 0.18 0.77 0.00 0.00 0.00 178.15 179.56 2pyx h SER 389 N -0.04 0.63 -0.47 1.72 4.64 -1.86 -0.72 113.55 117.45 2pyx h SER 389 Ca -0.01 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2pyx h SER 389 Cb 0.90 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2pyx h SER 389 CO 0.06 0.58 0.26 0.00 -0.87 0.00 0.00 176.83 176.87 2pyx h ALA 390 N 1.51 0.60 -0.09 5.18 0.00 -1.07 0.11 119.26 125.50 2pyx h ALA 390 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2pyx h ALA 390 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2pyx h ALA 390 CO -0.01 0.11 -0.66 0.07 0.00 0.00 0.00 179.25 178.76 2pyx h ARG 391 N 0.62 0.38 -0.40 0.00 0.11 -1.28 -1.70 114.38 112.11 2pyx h ARG 391 Ca 0.16 -0.28 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 2pyx h ARG 391 Cb 0.04 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2pyx h ARG 391 CO -0.03 0.91 0.11 0.28 0.10 0.00 0.00 179.97 181.35 2pyx h VAL 392 N 0.27 1.22 -0.80 0.08 2.07 -0.91 -1.92 116.25 116.26 2pyx h VAL 392 Ca -0.02 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.80 2pyx h VAL 392 Cb 1.21 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 2pyx h VAL 392 CO 0.11 0.26 0.51 0.78 0.02 0.00 0.00 177.57 179.25 2pyx h ASN 393 N 0.50 0.83 -0.57 0.57 2.35 -0.70 0.11 115.58 118.67 2pyx h ASN 393 Ca 0.13 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2pyx h ASN 393 Cb 0.28 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2pyx h ASN 393 CO -0.00 0.57 0.34 -0.08 -1.65 0.00 0.00 177.43 176.60 2pyx h GLU 394 N 0.98 0.78 -0.32 0.81 4.81 -1.11 -0.18 114.58 120.35 2pyx h GLU 394 Ca 0.32 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2pyx h GLU 394 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2pyx h GLU 394 CO -0.12 0.57 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.55 2pyx h ARG 395 N 0.77 0.62 -0.60 1.92 9.65 -0.96 -0.99 114.38 124.78 2pyx h ARG 395 Ca 0.20 -0.24 0.11 0.00 -1.10 0.00 0.00 59.98 58.95 2pyx h ARG 395 Cb -0.00 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.46 2pyx h ARG 395 CO -0.04 0.81 0.16 -0.92 2.80 0.00 0.00 179.97 182.78 2pyx h TYR 396 N 0.39 0.26 -0.64 2.20 3.20 -0.63 0.66 116.97 122.42 2pyx h TYR 396 Ca 0.08 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2pyx h TYR 396 Cb 0.59 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2pyx h TYR 396 CO 0.05 0.01 0.25 1.96 -1.64 0.00 0.00 178.16 178.79 2pyx h GLN 397 N 0.30 0.95 -0.66 1.82 4.20 -0.75 -0.95 115.11 120.03 2pyx h GLN 397 Ca 0.32 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2pyx h GLN 397 Cb 0.45 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2pyx h GLN 397 CO -0.37 0.80 0.37 1.96 -0.67 0.00 0.00 178.83 180.92 2pyx h GLN 398 N 0.90 0.92 -0.44 1.46 4.20 -0.53 -1.56 115.11 120.06 2pyx h GLN 398 Ca 0.21 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2pyx h GLN 398 Cb 0.21 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2pyx h GLN 398 CO -0.02 0.68 0.23 0.45 -0.67 0.00 0.00 178.83 179.51 2pyx h HIS 399 N 0.90 0.61 -0.38 2.96 3.86 -0.46 -0.91 115.15 121.74 2pyx h HIS 399 Ca 0.23 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2pyx h HIS 399 Cb 0.03 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 2pyx h HIS 399 CO -0.01 0.47 -0.11 -1.49 0.86 0.00 0.00 177.93 177.66 2pyx h TRP 400 N 0.57 0.71 -0.47 2.45 4.06 -1.06 0.96 115.95 123.16 2pyx h TRP 400 Ca 0.15 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 2pyx h TRP 400 Cb 0.07 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 2pyx h TRP 400 CO -0.02 0.73 0.23 0.37 -3.56 0.00 0.00 178.44 176.19 2pyx h GLN 401 N 0.60 0.68 -0.74 0.49 4.15 -1.00 -1.13 115.11 118.16 2pyx h GLN 401 Ca 0.11 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2pyx h GLN 401 Cb 0.53 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2pyx h GLN 401 CO 0.03 0.57 0.30 0.37 -1.93 0.00 0.00 178.83 178.17 2pyx h GLN 402 N 0.62 1.10 0.18 1.69 4.15 -0.59 -1.34 115.11 120.92 2pyx h GLN 402 Ca 0.16 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2pyx h GLN 402 Cb 0.12 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2pyx h GLN 402 CO -0.02 0.90 -0.09 0.82 -1.93 0.00 0.00 178.83 178.51 2pyx h ILE 403 N 1.06 0.89 -0.39 2.39 2.04 -0.55 0.15 117.51 123.10 2pyx h ILE 403 Ca 0.25 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2pyx h ILE 403 Cb 0.20 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2pyx h ILE 403 CO -0.02 0.07 0.24 0.40 0.00 0.00 0.00 178.15 178.84 2pyx h ILE 404 N -0.38 1.11 -0.49 -0.67 1.08 -1.10 -0.06 117.51 117.01 2pyx h ILE 404 Ca -0.02 -0.24 -0.11 0.00 -0.39 0.00 0.00 64.86 64.10 2pyx h ILE 404 Cb 0.29 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 2pyx h ILE 404 CO 0.04 0.11 -0.13 0.44 -0.69 0.00 0.00 178.15 177.92 2pyx h ASP 405 N 0.51 0.91 -0.26 1.72 3.32 -1.15 -0.70 116.42 120.78 2pyx h ASP 405 Ca 0.14 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 2pyx h ASP 405 Cb -0.03 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2pyx h ASP 405 CO -0.03 1.04 -0.38 0.15 -1.72 0.00 0.00 179.24 178.31 2pyx h PHE 406 N 0.81 0.88 -0.15 4.55 3.57 -0.45 -0.37 116.94 125.79 2pyx h PHE 406 Ca 0.13 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2pyx h PHE 406 Cb 0.66 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2pyx h PHE 406 CO 0.04 1.06 0.07 -0.07 -2.23 0.00 0.00 178.31 177.18 2pyx h LEU 407 N 0.44 0.20 -1.50 0.59 4.07 -0.98 -2.90 115.31 115.24 2pyx h LEU 407 Ca 0.03 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2pyx h LEU 407 Cb 0.97 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 2pyx h LEU 407 CO 0.09 0.27 0.33 0.50 -1.08 0.00 0.00 178.44 178.55 2pyx h LYS 408 N 0.11 0.66 -0.99 1.13 1.63 -1.02 -1.76 116.57 116.34 2pyx h LYS 408 Ca 0.05 -0.04 0.18 0.00 -0.85 0.00 0.00 60.65 59.99 2pyx h LYS 408 Cb 0.13 -0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 31.51 2pyx h LYS 408 CO -0.01 0.44 0.61 1.25 -3.45 0.00 0.00 179.45 178.30 2pyx h LEU 409 N 0.68 0.75 -1.48 5.20 5.85 -0.84 -1.11 115.31 124.35 2pyx h LEU 409 Ca 0.18 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2pyx h LEU 409 Cb -0.07 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2pyx h LEU 409 CO -0.04 0.30 0.39 0.45 -0.34 0.00 0.00 178.44 179.20 2pyx h HIS 410 N 0.74 0.65 0.19 1.25 3.86 -1.32 -2.97 115.15 117.56 2pyx h HIS 410 Ca 0.54 0.02 -0.33 0.00 -1.16 0.00 0.00 60.37 59.44 2pyx h HIS 410 Cb 0.87 -0.22 0.02 0.00 1.06 0.00 0.00 27.41 29.14 2pyx h HIS 410 CO -0.00 0.38 -1.62 1.88 0.86 0.00 0.00 177.93 179.43 2pyx h TYR 411 N 0.67 0.74 -0.07 2.45 0.05 -1.35 -3.39 116.97 116.08 2pyx h TYR 411 Ca 0.24 -0.54 -0.06 0.00 0.05 0.00 0.00 58.73 58.42 2pyx h TYR 411 Cb 0.11 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 2pyx h TYR 411 CO -0.00 1.63 -0.23 -0.39 -1.05 0.00 0.00 178.16 178.12 2pyx h VAL 412 N 0.04 1.20 -0.63 -2.88 -1.51 -1.14 -2.75 116.25 108.58 2pyx h VAL 412 Ca -0.31 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2pyx h VAL 412 Cb 2.06 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 32.61 2pyx h VAL 412 CO 0.18 0.28 0.00 2.30 -1.23 0.00 0.00 177.57 179.10 2pyx n ILE 413 N -4.22 1.01 -1.54 7.19 -5.35 -1.19 -4.80 119.36 110.46 2pyx n ILE 413 Ca -0.01 -0.89 -0.33 0.00 -0.27 0.00 0.00 62.75 61.24 2pyx n ILE 413 Cb 0.31 0.36 0.07 0.00 -1.74 0.00 0.00 39.64 38.64 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 -0.97 4.68 0.00 7.28 0.15 -1.04 -4.92 113.70 118.89 2pyx s SER 414 Ca 0.43 2.05 0.14 0.00 0.70 0.00 0.00 55.95 59.28 2pyx s SER 414 Cb 0.24 -2.55 0.31 0.00 -1.71 0.00 0.00 66.02 62.30 2pyx s SER 414 CO 0.28 -1.92 1.21 0.00 1.20 0.00 0.00 173.24 174.01 2pyx n GLN 415 N -2.79 2.22 -1.65 5.44 6.02 0.12 -5.03 117.38 121.71 2pyx n GLN 415 Ca 0.11 -1.94 -0.46 0.00 -0.01 0.00 0.00 57.00 54.69 2pyx n GLN 415 Cb 0.52 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.41 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 0.85 1.88 0.00 -1.09 1.74 -1.17 -4.65 116.66 114.22 2pyx n ARG 416 Ca 0.13 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 2pyx n ARG 416 Cb 0.45 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 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 2.43 2.35 0.20 5.56 -0.06 -1.26 -4.44 117.38 122.16 2pyx n GLN 417 Ca 0.14 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.23 2pyx n GLN 417 Cb 0.29 -0.86 0.27 0.00 -4.06 0.00 0.00 30.24 25.88 2pyx n GLN 417 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 2pyx h GLU 418 N 0.00 0.00 -5.51 3.69 4.11 -2.00 -3.44 114.58 111.42 2pyx h GLU 418 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 2pyx h GLU 418 Cb 0.39 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.43 2pyx h GLU 418 CO 0.00 0.24 -0.69 -0.51 0.07 0.00 0.00 179.01 178.12 2pyx s ASP 419 N -6.23 4.65 0.26 3.06 1.01 -1.26 -5.00 116.67 113.15 2pyx s ASP 419 Ca 0.03 -0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.15 2pyx s ASP 419 Cb 0.08 -1.61 0.56 0.00 1.01 0.00 0.00 42.92 42.96 2pyx s ASP 419 CO 0.67 0.22 1.71 -0.09 0.21 0.00 0.00 175.17 177.89 2pyx h ARG 420 N 6.33 0.40 -0.65 8.23 2.43 -1.88 -2.04 114.38 127.20 2pyx h ARG 420 Ca -0.35 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.94 2pyx h ARG 420 Cb 1.19 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.53 2pyx h ARG 420 CO 0.59 0.26 -0.08 -0.92 -1.51 0.00 0.00 179.97 178.31 2pyx h TYR 421 N 0.41 -0.20 -0.15 2.20 3.20 -1.95 0.24 116.97 120.72 2pyx h TYR 421 Ca 0.47 0.05 -0.21 0.00 3.14 0.00 0.00 58.73 62.18 2pyx h TYR 421 Cb 0.79 0.19 0.01 0.00 1.54 0.00 0.00 36.73 39.25 2pyx h TYR 421 CO -0.17 -0.24 -0.74 -1.49 -1.64 0.00 0.00 178.16 173.88 2pyx h TRP 422 N 0.05 0.93 -0.69 -3.82 4.06 -1.62 -2.40 115.95 112.46 2pyx h TRP 422 Ca 0.33 -0.40 -0.03 0.00 2.06 0.00 0.00 58.89 60.84 2pyx h TRP 422 Cb 0.53 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.51 2pyx h TRP 422 CO -0.45 1.22 0.31 0.00 -3.56 0.00 0.00 178.44 175.95 2pyx h ARG 423 N 0.48 1.01 -0.82 0.49 3.08 -1.11 -2.72 114.38 114.79 2pyx h ARG 423 Ca -0.04 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.86 2pyx h ARG 423 Cb 1.36 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 2pyx h ARG 423 CO 0.15 0.81 0.54 -0.44 -1.07 0.00 0.00 179.97 179.96 2pyx h ASP 424 N 0.97 0.93 0.05 7.04 3.32 -0.43 -2.31 116.42 126.00 2pyx h ASP 424 Ca 0.23 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2pyx h ASP 424 Cb 0.15 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2pyx h ASP 424 CO -0.03 0.67 -0.01 0.45 -1.72 0.00 0.00 179.24 178.60 2pyx h HIS 425 N 1.10 0.00 -0.02 4.55 3.86 -1.10 -1.95 115.15 121.58 2pyx h HIS 425 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2pyx h HIS 425 Cb -0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2pyx h HIS 425 CO -0.00 0.01 0.00 0.54 0.86 0.00 0.00 177.93 179.34 2pyx n ARG 426 N -3.69 1.92 -2.72 2.45 1.74 -0.87 -4.54 116.66 110.96 2pyx n ARG 426 Ca -0.03 -1.34 -0.40 0.00 -0.77 0.00 0.00 57.85 55.31 2pyx n ARG 426 Cb 0.10 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.00 4.78 0.50 5.56 2.02 -0.74 -4.94 118.70 123.89 2pyx s GLU 427 Ca 0.34 1.51 0.15 0.00 0.02 0.00 0.00 54.97 56.99 2pyx s GLU 427 Cb 0.21 -3.31 1.19 0.00 0.10 0.00 0.00 34.13 32.32 2pyx s GLU 427 CO 0.32 0.38 2.11 0.66 0.02 0.00 0.00 175.26 178.75 2pyx h SER 428 N 4.64 0.01 0.22 -0.19 4.64 -1.91 -0.97 113.55 119.99 2pyx h SER 428 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2pyx h SER 428 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2pyx h SER 428 CO 0.69 0.05 0.00 -0.46 -0.87 0.00 0.00 176.83 176.25 2pyx n ASN 429 N -4.48 0.00 -0.35 4.97 0.23 -1.26 -1.91 115.26 112.46 2pyx n ASN 429 Ca -0.03 0.31 0.05 0.00 -0.53 0.00 0.00 54.58 54.37 2pyx n ASN 429 Cb 0.13 -0.38 0.03 0.00 -2.08 0.00 0.00 39.78 37.48 2pyx n ASN 429 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2pyx n SER 430 N -1.38 1.69 -4.37 0.53 3.41 -0.37 -4.91 113.62 108.23 2pyx n SER 430 Ca 0.03 -1.35 -0.36 0.00 -0.26 0.00 0.00 58.87 56.93 2pyx n SER 430 Cb 0.08 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.81 3.86 0.48 -1.33 1.01 -0.80 -4.36 121.20 119.25 2pyx s ILE 431 Ca 0.10 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 2pyx s ILE 431 Cb 0.08 -2.84 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 2pyx s ILE 431 CO 0.12 0.30 1.24 -2.65 0.00 0.00 0.00 174.94 173.95 2pyx n PRO 432 N 4.86 1.70 -0.36 2.79 -0.02 -1.26 -4.77 135.00 137.95 2pyx n PRO 432 Ca -0.16 0.61 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2pyx n PRO 432 Cb 0.50 -2.38 0.26 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.68 0.87 -0.81 2.55 3.32 -1.98 -0.64 116.42 121.40 2pyx h ASP 433 Ca -0.48 0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.66 2pyx h ASP 433 Cb 1.31 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 2pyx h ASP 433 CO 0.58 0.43 0.52 0.77 -1.72 0.00 0.00 179.24 179.82 2pyx h SER 434 N 0.92 0.87 -0.26 6.45 4.64 -2.01 -1.73 113.55 122.43 2pyx h SER 434 Ca 0.51 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.66 2pyx h SER 434 Cb 0.59 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2pyx h SER 434 CO -0.30 0.60 -0.51 0.25 -0.87 0.00 0.00 176.83 176.00 2pyx h LEU 435 N 1.02 0.90 -0.74 5.97 5.85 -1.64 -3.03 115.31 123.64 2pyx h LEU 435 Ca 0.32 -0.54 0.11 0.00 0.84 0.00 0.00 57.88 58.62 2pyx h LEU 435 Cb 0.01 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 2pyx h LEU 435 CO -0.11 1.27 0.35 1.56 -0.34 0.00 0.00 178.44 181.17 2pyx h GLN 436 N 0.57 0.54 -0.69 1.25 4.20 -0.81 0.13 115.11 120.29 2pyx h GLN 436 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2pyx h GLN 436 Cb 1.11 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2pyx h GLN 436 CO 0.11 0.36 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 2pyx n ALA 437 N -2.44 1.36 0.00 3.87 0.00 -0.68 -1.91 120.51 120.71 2pyx n ALA 437 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2pyx n ALA 437 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.58 0.00 -0.06 0.00 4.77 0.47 -1.43 117.00 121.34 2pyx n LEU 439 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2pyx n LEU 439 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2pyx n LEU 439 CO 0.00 0.00 0.74 -0.33 -1.33 0.00 0.00 177.39 176.47 2pyx h GLU 440 N 0.00 0.30 -0.66 3.23 5.08 -1.63 -3.03 114.58 117.87 2pyx h GLU 440 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2pyx h GLU 440 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2pyx h GLU 440 CO 0.00 0.53 0.43 1.25 -1.00 0.00 0.00 179.01 180.22 2pyx h LEU 441 N 0.05 0.76 -0.79 1.33 5.85 -1.51 -2.64 115.31 118.35 2pyx h LEU 441 Ca 0.05 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2pyx h LEU 441 Cb 0.40 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2pyx h LEU 441 CO 0.01 0.56 0.00 -0.50 -0.34 0.00 0.00 178.44 178.17 2pyx h TRP 442 N 0.89 0.00 -0.05 1.25 6.55 -1.70 -0.34 115.95 122.55 2pyx h TRP 442 Ca 0.24 0.00 0.02 0.00 0.95 0.00 0.00 58.89 60.10 2pyx h TRP 442 Cb -0.09 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.21 2pyx h TRP 442 CO -0.03 0.00 0.05 0.00 -1.05 0.00 0.00 178.44 177.42 2pyx h ARG 443 N 0.00 0.00 0.00 0.49 3.08 -1.34 -3.31 114.38 113.30 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2pyx h ARG 443 CO 0.00 0.00 -0.99 0.66 -1.07 0.00 0.00 179.97 178.57 2pyx n TYR 444 N -4.00 0.00 -3.66 3.04 4.01 -0.21 -0.88 117.16 115.47 2pyx n TYR 444 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 2pyx n TYR 444 Cb 0.15 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 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 -2.09 0.96 0.63 -0.72 -2.07 -0.76 -4.53 119.66 111.08 2pyx s GLN 445 Ca -0.01 -0.46 -0.16 0.00 -1.82 0.00 0.00 55.36 52.92 2pyx s GLN 445 Cb 0.02 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.36 2pyx s GLN 445 CO 0.15 -0.34 1.10 0.95 -1.32 0.00 0.00 175.29 175.82 2pyx s THR 446 N -2.83 3.37 0.56 3.63 -4.23 -1.26 -4.05 115.64 110.82 2pyx s THR 446 Ca -0.03 0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 60.93 2pyx s THR 446 Cb -0.00 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 2pyx s THR 446 CO -0.05 -0.38 1.13 -2.65 -0.54 0.00 0.00 174.62 172.13 2pyx n PRO 447 N -2.23 1.25 -4.01 3.99 -0.02 -1.26 -4.98 135.00 127.74 2pyx n PRO 447 Ca 0.10 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2pyx n PRO 447 Cb 0.52 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.07 0.52 0.60 2.55 1.04 -1.26 -4.91 113.70 111.17 2pyx s SER 448 Ca 0.73 -1.30 0.30 0.00 0.48 0.00 0.00 55.95 56.16 2pyx s SER 448 Cb -0.43 0.69 1.83 0.00 0.10 0.00 0.00 66.02 68.20 2pyx s SER 448 CO 0.49 -1.35 2.23 1.56 0.98 0.00 0.00 173.24 177.15 2pyx h GLN 449 N 2.12 0.00 0.00 4.02 1.08 -1.95 -1.83 115.11 118.56 2pyx h GLN 449 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2pyx h GLN 449 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2pyx h GLN 449 CO 0.38 0.00 0.00 1.96 -0.95 0.00 0.00 178.83 180.22 2pyx h GLN 450 N 0.00 0.00 0.00 1.46 4.20 -1.98 -2.52 115.11 116.27 2pyx h GLN 450 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2pyx h GLN 450 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2pyx h GLN 450 CO -0.00 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.91 2pyx n ASP 451 N -2.35 0.00 -4.20 1.46 8.00 -0.69 -4.67 116.55 114.11 2pyx n ASP 451 Ca 0.01 0.34 -0.33 0.00 0.71 0.00 0.00 54.79 55.51 2pyx n ASP 451 Cb 0.16 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.89 2.42 -0.19 0.53 1.01 -0.95 -5.02 121.20 116.11 2pyx s ILE 452 Ca 0.17 -0.84 0.20 0.00 0.00 0.00 0.00 60.65 60.19 2pyx s ILE 452 Cb 0.19 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2pyx s ILE 452 CO 0.50 0.52 0.97 0.77 0.00 0.00 0.00 174.94 177.70 2pyx h SER 453 N 7.65 0.00 -2.06 3.58 4.64 -1.84 -3.49 113.55 122.03 2pyx h SER 453 Ca -0.39 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.37 2pyx h SER 453 Cb 1.17 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2pyx h SER 453 CO 0.60 0.21 -0.61 -0.72 -0.87 0.00 0.00 176.83 175.43 2pyx s TYR 454 N -3.20 2.65 0.54 4.77 1.13 -1.26 -5.11 117.35 116.87 2pyx s TYR 454 Ca -0.01 -0.31 -0.17 0.00 -1.41 0.00 0.00 57.07 55.16 2pyx s TYR 454 Cb 0.09 -1.37 -0.06 0.00 -1.10 0.00 0.00 41.96 39.53 2pyx s TYR 454 CO 0.80 0.52 1.03 0.15 -2.51 0.00 0.00 175.55 175.54 2pyx s LYS 455 N -3.72 3.61 -1.35 -3.49 1.02 -1.26 -4.36 119.74 110.19 2pyx s LYS 455 Ca 0.34 1.19 -0.04 0.00 0.02 0.00 0.00 55.97 57.48 2pyx s LYS 455 Cb -0.04 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 2pyx s LYS 455 CO 0.20 -0.57 0.85 0.39 -0.92 0.00 0.00 175.35 175.30 2pyx n GLU 456 N -1.61 -5.61 -1.73 1.68 1.02 -1.26 -4.94 120.64 108.20 2pyx n GLU 456 Ca 0.08 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.52 2pyx n GLU 456 Cb 0.53 -5.42 0.06 0.00 -0.02 0.00 0.00 31.44 26.59 2pyx n GLU 456 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pyx n ALA 457 N -4.41 1.22 -0.14 0.62 0.00 -1.26 -4.93 120.51 111.61 2pyx n ALA 457 Ca -0.19 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2pyx n ALA 457 Cb 0.63 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 2pyx n ALA 457 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2pyx h LEU 458 N 0.81 0.73 -8.75 0.00 3.38 -1.95 -3.41 115.31 106.12 2pyx h LEU 458 Ca -0.51 -0.32 -0.64 0.00 0.09 0.00 0.00 57.88 56.50 2pyx h LEU 458 Cb 1.33 -0.20 -0.23 0.00 0.09 0.00 0.00 40.66 41.66 2pyx h LEU 458 CO 0.54 0.88 -0.67 -0.36 0.09 0.00 0.00 178.44 178.92 2pyx s PHE 459 N -4.96 3.02 0.72 1.13 0.08 -1.26 -5.11 117.98 111.61 2pyx s PHE 459 Ca -0.13 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.40 2pyx s PHE 459 Cb 0.10 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2pyx s PHE 459 CO 0.80 -0.15 1.08 -1.25 -0.10 0.00 0.00 175.22 175.60 2pyx s PRO 460 N 0.68 2.62 0.41 0.24 0.04 -1.26 -4.92 135.00 132.81 2pyx s PRO 460 Ca -0.01 1.13 0.16 0.00 0.04 0.00 0.00 61.00 62.31 2pyx s PRO 460 Cb -0.14 -1.94 1.04 0.00 0.04 0.00 0.00 34.50 33.49 2pyx s PRO 460 CO 0.02 -1.36 1.87 0.00 0.04 0.00 0.00 177.00 177.57 2pyx h ALA 461 N -0.74 2.13 -0.59 8.56 0.00 -1.96 -0.83 119.26 125.83 2pyx h ALA 461 Ca -0.44 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.55 2pyx h ALA 461 Cb 1.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2pyx h ALA 461 CO 0.54 -0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.78 2pyx h ALA 462 N 1.62 1.85 -0.86 0.00 0.00 -1.94 -1.25 119.26 118.67 2pyx h ALA 462 Ca 0.45 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.35 2pyx h ALA 462 Cb 1.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2pyx h ALA 462 CO -0.18 0.05 0.57 0.77 0.00 0.00 0.00 179.25 180.46 2pyx h SER 463 N 0.55 0.99 -0.28 0.00 0.02 -1.50 0.11 113.55 113.45 2pyx h SER 463 Ca 0.26 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 2pyx h SER 463 Cb 0.32 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2pyx h SER 463 CO -0.08 0.72 -0.27 -0.26 -1.14 0.00 0.00 176.83 175.81 2pyx h PHE 464 N 1.17 0.90 -0.38 3.45 -1.00 -1.32 -1.94 116.94 117.82 2pyx h PHE 464 Ca 0.32 -0.22 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 2pyx h PHE 464 Cb -0.13 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.21 2pyx h PHE 464 CO 0.00 0.96 0.09 1.96 -1.61 0.00 0.00 178.31 179.71 2pyx h GLN 465 N 0.67 0.62 -0.74 1.51 4.20 -0.87 -0.51 115.11 119.98 2pyx h GLN 465 Ca 0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2pyx h GLN 465 Cb 0.80 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 2pyx h GLN 465 CO 0.07 0.66 0.41 1.88 -0.67 0.00 0.00 178.83 181.17 2pyx h TYR 466 N 0.47 1.01 0.00 2.96 0.05 -0.62 -1.34 116.97 119.50 2pyx h TYR 466 Ca 0.12 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2pyx h TYR 466 Cb 0.32 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2pyx h TYR 466 CO 0.02 0.71 -0.00 0.28 -1.05 0.00 0.00 178.16 178.12 2pyx h VAL 467 N 1.02 1.48 -0.17 -2.88 2.07 -1.29 -0.01 116.25 116.48 2pyx h VAL 467 Ca 0.26 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.36 2pyx h VAL 467 Cb 0.03 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 2pyx h VAL 467 CO -0.04 0.38 -0.14 0.25 0.02 0.00 0.00 177.57 178.04 2pyx h LEU 468 N -0.64 -0.44 0.00 2.57 5.85 -1.05 -2.97 115.31 118.63 2pyx h LEU 468 Ca -0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2pyx h LEU 468 Cb 0.63 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2pyx h LEU 468 CO 0.00 -0.18 -0.84 1.88 -0.34 0.00 0.00 178.44 178.97 2pyx h TYR 469 N -0.15 0.00 0.00 1.25 0.05 -1.36 -2.31 116.97 114.45 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 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2pyx h TYR 469 CO -0.27 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 177.43 2pyx n GLY 470 N 1.22 0.00 1.01 3.88 0.00 -0.02 -4.54 105.19 106.74 2pyx n GLY 470 Ca -0.01 0.00 -0.04 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 0.70 -0.47 -4.77 1.61 7.64 -1.19 -4.77 113.62 112.37 2pyx n SER 472 Ca 0.00 -1.87 -0.40 0.00 1.01 0.00 0.00 58.87 57.60 2pyx n SER 472 Cb 0.00 0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 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 2.93 -0.18 1.43 5.36 -0.87 -4.99 117.98 121.65 2pyx s PHE 473 Ca 0.06 1.38 -0.14 0.00 -0.96 0.00 0.00 56.93 57.27 2pyx s PHE 473 Cb 0.07 -3.73 -0.05 0.00 -0.34 0.00 0.00 43.02 38.97 2pyx s PHE 473 CO -0.03 -2.08 0.29 1.21 -1.46 0.00 0.00 175.22 173.14 2pyx s ASN 474 N -0.48 6.38 -0.06 6.13 2.47 -1.26 -4.80 114.94 123.33 2pyx s ASN 474 Ca 0.51 0.44 0.05 0.00 0.42 0.00 0.00 52.86 54.28 2pyx s ASN 474 Cb -0.41 -2.18 -0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2pyx s ASN 474 CO 0.54 0.06 -0.20 -0.89 -3.72 0.00 0.00 177.10 172.89 2pyx s THR 475 N 0.72 1.68 0.19 -5.21 2.01 -1.26 -4.56 115.64 109.21 2pyx s THR 475 Ca 0.15 -0.85 -0.32 0.00 0.31 0.00 0.00 61.69 60.98 2pyx s THR 475 Cb -0.13 -1.44 -0.15 0.00 0.01 0.00 0.00 72.50 70.79 2pyx s THR 475 CO 0.04 0.47 1.32 1.67 -0.69 0.00 0.00 174.62 177.43 2pyx n GLN 476 N 3.16 1.62 -2.22 4.92 7.27 -0.06 -4.92 117.38 127.16 2pyx n GLN 476 Ca -0.18 0.58 -0.41 0.00 0.07 0.00 0.00 57.00 57.06 2pyx n GLN 476 Cb 0.53 -2.18 -0.03 0.00 2.41 0.00 0.00 30.24 30.97 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 0.42 4.45 0.55 1.69 1.43 -1.26 -4.67 118.68 121.29 2pyx s LEU 477 Ca 0.72 2.50 -0.20 0.00 -1.03 0.00 0.00 54.13 56.13 2pyx s LEU 477 Cb -0.76 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 41.76 2pyx s LEU 477 CO 0.49 -0.46 0.91 -2.65 0.23 0.00 0.00 176.35 174.87 2pyx n PRO 478 N 1.57 0.96 -4.19 1.29 -0.02 -1.26 -5.03 135.00 128.32 2pyx n PRO 478 Ca 0.02 0.36 -0.24 0.00 -2.02 0.00 0.00 63.50 61.63 2pyx n PRO 478 Cb 0.43 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.49 2.92 -1.43 3.45 -4.23 -1.26 -4.75 115.64 108.86 2pyx s THR 479 Ca 0.71 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2pyx s THR 479 Cb -0.46 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.52 2pyx s THR 479 CO 0.51 -0.20 0.95 1.41 -0.54 0.00 0.00 174.62 176.74 2pyx n HIS 480 N -1.06 -2.30 -2.17 3.99 8.25 -1.26 -4.89 115.22 115.78 2pyx n HIS 480 Ca -0.04 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 57.92 2pyx n HIS 480 Cb 0.61 -4.33 -0.03 0.00 1.12 0.00 0.00 29.99 27.37 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 -3.40 3.04 -0.07 1.59 1.01 -1.26 -4.95 120.40 116.35 2pyx s VAL 481 Ca 0.44 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 2pyx s VAL 481 Cb -0.22 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2pyx s VAL 481 CO 0.80 0.15 1.40 -0.54 0.00 0.00 0.00 175.10 176.92 2pyx s LYS 482 N -0.43 4.25 0.30 2.72 1.02 -1.26 -4.93 119.74 121.40 2pyx s LYS 482 Ca 0.56 1.90 0.05 0.00 0.02 0.00 0.00 55.97 58.50 2pyx s LYS 482 Cb -0.38 -3.73 0.69 0.00 -0.52 0.00 0.00 37.83 33.89 2pyx s LYS 482 CO 0.41 -0.67 1.79 -1.35 -0.92 0.00 0.00 175.35 174.62 2pyx h PRO 483 N 8.33 0.81 -0.31 -1.68 0.11 -2.04 -1.48 132.00 135.74 2pyx h PRO 483 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2pyx h PRO 483 Cb 1.15 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2pyx h PRO 483 CO 0.93 0.53 0.00 -1.13 -0.21 0.00 0.00 178.00 178.13 2pyx n SER 484 N -4.72 0.00 0.00 -2.05 3.41 -1.26 -0.84 113.62 108.16 2pyx n SER 484 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2pyx n SER 484 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.57 0.00 -0.16 4.33 -0.06 -0.56 -1.72 117.38 119.78 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 -0.19 3.69 4.20 -1.26 -1.24 115.11 121.19 2pyx h GLN 487 Ca 0.00 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 2pyx h GLN 487 Cb 0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2pyx h GLN 487 CO 0.00 0.95 0.12 1.25 -0.67 0.00 0.00 178.83 180.47 2pyx h LEU 488 N 0.73 0.23 -0.70 1.46 5.85 -1.59 -1.86 115.31 119.42 2pyx h LEU 488 Ca 0.13 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2pyx h LEU 488 Cb 0.59 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2pyx h LEU 488 CO 0.04 0.21 0.35 0.00 -0.34 0.00 0.00 178.44 178.69 2pyx h ALA 489 N 1.04 0.96 -0.64 1.25 0.00 -1.81 -0.15 119.26 119.92 2pyx h ALA 489 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pyx h ALA 489 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2pyx h ALA 489 CO -0.01 -0.05 0.38 0.37 0.00 0.00 0.00 179.25 179.94 2pyx h GLN 490 N 0.59 0.87 -0.68 0.00 5.75 -0.84 0.65 115.11 121.44 2pyx h GLN 490 Ca 0.34 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 2pyx h GLN 490 Cb 0.36 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 2pyx h GLN 490 CO -0.27 0.62 0.34 -0.09 -2.65 0.00 0.00 178.83 176.79 2pyx h ARG 491 N 0.87 0.98 -0.63 1.69 2.43 -0.63 -0.26 114.38 118.82 2pyx h ARG 491 Ca 0.23 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2pyx h ARG 491 Cb -0.02 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2pyx h ARG 491 CO -0.04 0.76 0.04 -0.07 -1.51 0.00 0.00 179.97 179.15 2pyx h LEU 492 N 0.95 1.06 -0.10 3.80 3.38 -0.41 0.62 115.31 124.61 2pyx h LEU 492 Ca 0.24 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2pyx h LEU 492 Cb 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2pyx h LEU 492 CO -0.03 1.09 -0.13 -0.26 0.09 0.00 0.00 178.44 179.20 2pyx h PHE 493 N 1.01 -0.33 -0.82 1.13 0.04 -0.72 -0.19 116.94 117.06 2pyx h PHE 493 Ca 0.18 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.02 2pyx h PHE 493 Cb 0.52 0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.78 2pyx h PHE 493 CO 0.04 -0.20 0.52 -0.91 -0.60 0.00 0.00 178.31 177.16 2pyx h ASN 494 N -0.17 0.83 -0.60 2.17 -0.26 -0.72 -2.06 115.58 114.77 2pyx h ASN 494 Ca 0.08 0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.73 2pyx h ASN 494 Cb 0.29 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 2pyx h ASN 494 CO -0.21 0.55 -0.01 -0.78 -1.06 0.00 0.00 177.43 175.92 2pyx h ASP 495 N 0.97 1.05 -0.90 5.81 3.58 -0.61 -1.15 116.42 125.17 2pyx h ASP 495 Ca 0.35 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2pyx h ASP 495 Cb 0.09 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.82 2pyx h ASP 495 CO -0.14 1.11 0.53 -1.13 -2.88 0.00 0.00 179.24 176.72 2pyx h ASN 496 N 0.97 1.10 -0.41 2.28 -0.73 -0.78 -0.16 115.58 117.85 2pyx h ASN 496 Ca 0.17 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 2pyx h ASN 496 Cb 0.57 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 2pyx h ASN 496 CO 0.03 0.86 0.18 -0.61 -0.37 0.00 0.00 177.43 177.52 2pyx h GLN 497 N 1.26 0.61 -0.45 6.67 4.15 -0.98 -0.29 115.11 126.07 2pyx h GLN 497 Ca 0.32 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.59 2pyx h GLN 497 Cb -0.03 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2pyx h GLN 497 CO -0.06 0.55 0.05 0.37 -1.93 0.00 0.00 178.83 177.81 2pyx h GLN 498 N 0.53 0.75 -0.60 1.69 4.15 -0.84 -1.82 115.11 118.97 2pyx h GLN 498 Ca 0.14 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2pyx h GLN 498 Cb 0.15 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 2pyx h GLN 498 CO -0.01 0.79 0.27 -0.09 -1.93 0.00 0.00 178.83 177.85 2pyx h ARG 499 N 0.61 0.88 -0.21 1.69 2.43 -0.85 -1.45 114.38 117.47 2pyx h ARG 499 Ca 0.13 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2pyx h ARG 499 Cb 0.41 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2pyx h ARG 499 CO 0.01 0.73 0.07 1.15 -1.51 0.00 0.00 179.97 180.42 2pyx h THR 500 N 0.82 0.96 -0.60 0.20 2.02 -0.91 0.05 112.91 115.46 2pyx h THR 500 Ca 0.20 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 2pyx h THR 500 Cb 0.16 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2pyx h THR 500 CO -0.02 0.03 0.23 -0.61 0.37 0.00 0.00 175.52 175.52 2pyx h GLN 501 N 0.18 0.89 -0.12 6.66 -0.00 -1.02 -1.12 115.11 120.58 2pyx h GLN 501 Ca 0.09 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2pyx h GLN 501 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 2pyx h GLN 501 CO -0.09 0.77 0.06 0.00 0.00 0.00 0.00 178.83 179.57 2pyx h ALA 502 N 1.08 0.16 0.00 3.38 0.00 -0.99 -2.77 119.26 120.12 2pyx h ALA 502 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2pyx h ALA 502 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pyx h ALA 502 CO -0.02 -0.28 -0.19 -0.07 0.00 0.00 0.00 179.25 178.70 2pyx h LEU 503 N 0.07 0.00 -2.03 0.00 3.38 -0.84 -2.53 115.31 113.35 2pyx h LEU 503 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pyx h LEU 503 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2pyx h LEU 503 CO -0.01 0.19 -0.08 0.77 0.09 0.00 0.00 178.44 179.41 2pyx h SER 504 N 0.00 0.00 0.12 -0.43 4.64 -0.90 -2.20 113.55 114.78 2pyx h SER 504 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pyx h SER 504 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2pyx h SER 504 CO 0.02 0.08 -0.98 0.29 -0.87 0.00 0.00 176.83 175.37 2pyx n LYS 505 N -3.47 0.07 -0.14 4.77 4.01 -0.97 -4.56 118.16 117.87 2pyx n LYS 505 Ca -0.02 -0.01 0.08 0.00 -0.51 0.00 0.00 58.31 57.85 2pyx n LYS 505 Cb 0.22 -1.51 0.11 0.00 -0.51 0.00 0.00 35.03 33.34 2pyx n LYS 505 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2pyx n ASN 506 N -1.59 1.93 -4.33 4.39 4.13 -0.86 -5.03 115.26 113.91 2pyx n ASN 506 Ca 0.04 -2.86 -0.29 0.00 1.68 0.00 0.00 54.58 53.15 2pyx n ASN 506 Cb 0.36 -0.37 -0.14 0.00 -1.54 0.00 0.00 39.78 38.08 2pyx n ASN 506 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2pyx s LEU 507 N -2.32 2.18 0.60 3.41 1.43 -1.03 -4.91 118.68 118.05 2pyx s LEU 507 Ca 0.25 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 2pyx s LEU 507 Cb 0.22 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 2pyx s LEU 507 CO 0.02 0.23 1.02 -2.16 0.23 0.00 0.00 176.35 175.70 2pyx s PRO 508 N -1.30 3.62 0.94 1.29 0.04 -1.26 -4.87 135.00 133.46 2pyx s PRO 508 Ca 0.11 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 2pyx s PRO 508 Cb -0.10 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.51 2pyx s PRO 508 CO 0.02 -0.55 1.10 0.95 0.04 0.00 0.00 177.00 178.57 2pyx s THR 509 N -3.05 2.32 0.15 1.26 -4.23 -1.26 -0.70 115.64 110.13 2pyx s THR 509 Ca 0.56 0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 61.02 2pyx s THR 509 Cb -0.11 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2pyx s THR 509 CO 0.49 -0.14 1.78 0.78 -0.54 0.00 0.00 174.62 177.00 2pyx h ASN 510 N -1.66 0.54 -0.66 3.99 2.35 -1.72 -1.00 115.58 117.41 2pyx h ASN 510 Ca -0.52 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.18 2pyx h ASN 510 Cb 1.31 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 2pyx h ASN 510 CO 0.58 0.44 0.44 -0.09 -1.65 0.00 0.00 177.43 177.14 2pyx h ARG 511 N 0.59 0.87 -0.45 0.81 9.65 -1.87 -0.05 114.38 123.92 2pyx h ARG 511 Ca 0.16 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2pyx h ARG 511 Cb 0.00 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 2pyx h ARG 511 CO -0.03 0.57 0.30 0.93 2.80 0.00 0.00 179.97 184.54 2pyx h GLU 512 N 0.89 0.59 -0.31 0.20 5.08 -1.84 -0.47 114.58 118.73 2pyx h GLU 512 Ca 0.25 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2pyx h GLU 512 Cb -0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2pyx h GLU 512 CO -0.06 0.39 -0.25 1.25 -1.00 0.00 0.00 179.01 179.34 2pyx h LEU 513 N 0.61 0.75 -1.22 1.33 5.85 -0.88 -2.22 115.31 119.53 2pyx h LEU 513 Ca 0.17 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2pyx h LEU 513 Cb -0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2pyx h LEU 513 CO -0.04 1.04 0.23 -0.07 -0.34 0.00 0.00 178.44 179.27 2pyx h LEU 514 N 0.47 0.70 -0.64 2.25 3.38 -0.82 0.15 115.31 120.79 2pyx h LEU 514 Ca 0.06 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2pyx h LEU 514 Cb 0.81 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2pyx h LEU 514 CO 0.07 0.62 0.12 0.44 0.09 0.00 0.00 178.44 179.78 2pyx h ASP 515 N 0.77 1.01 -0.09 -0.43 3.32 -0.98 -0.58 116.42 119.44 2pyx h ASP 515 Ca 0.19 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 2pyx h ASP 515 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2pyx h ASP 515 CO -0.02 1.00 -0.32 0.11 -1.72 0.00 0.00 179.24 178.29 2pyx h LYS 516 N 0.97 0.57 -0.52 3.56 1.57 -0.74 -1.75 116.57 120.22 2pyx h LYS 516 Ca 0.20 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2pyx h LYS 516 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2pyx h LYS 516 CO 0.01 0.82 -0.06 0.28 -0.57 0.00 0.00 179.45 179.94 2pyx h VAL 517 N 0.49 1.26 -0.42 0.50 2.07 -0.47 0.39 116.25 120.07 2pyx h VAL 517 Ca 0.06 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2pyx h VAL 517 Cb 0.79 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2pyx h VAL 517 CO 0.06 0.41 0.18 0.00 0.02 0.00 0.00 177.57 178.25 2pyx h ALA 518 N 1.09 0.55 0.12 1.67 0.00 -0.95 -3.09 119.26 118.65 2pyx h ALA 518 Ca 0.15 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.58 2pyx h ALA 518 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2pyx h ALA 518 CO 0.03 0.13 -1.86 1.96 0.00 0.00 0.00 179.25 179.52 2pyx h GLN 519 N 0.54 0.26 0.00 0.00 4.20 -1.18 -3.45 115.11 115.48 2pyx h GLN 519 Ca 0.14 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2pyx h GLN 519 Cb 0.16 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2pyx h GLN 519 CO -0.01 1.14 -0.80 0.66 -0.67 0.00 0.00 178.83 179.14 2pyx n TYR 520 N -3.45 0.00 0.00 2.96 4.01 0.12 -5.08 117.16 115.72 2pyx n TYR 520 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2pyx n TYR 520 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 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 2.91 -0.64 3.62 2.72 0.00 -0.08 -4.96 105.19 108.77 2pyx n GLY 521 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.09 1.69 0.43 1.61 0.08 -1.26 -4.87 117.98 112.55 2pyx s PHE 522 Ca 0.00 1.50 -0.26 0.00 0.12 0.00 0.00 56.93 58.29 2pyx s PHE 522 Cb 0.00 -3.22 -0.09 0.00 -0.57 0.00 0.00 43.02 39.14 2pyx s PHE 522 CO 0.00 -3.05 1.41 -2.30 -0.10 0.00 0.00 175.22 171.18 2pyx n PRO 523 N -4.38 2.27 -2.18 0.24 -0.02 -1.26 -4.95 135.00 124.72 2pyx n PRO 523 Ca 0.08 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 2pyx n PRO 523 Cb 0.53 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2pyx n PRO 523 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2pyx s LYS 524 N -2.31 4.36 0.00 -0.52 0.00 -1.26 -4.46 119.74 115.55 2pyx s LYS 524 Ca 0.59 2.09 0.00 0.00 0.00 0.00 0.00 55.97 58.66 2pyx s LYS 524 Cb -0.47 -3.19 0.00 0.00 0.00 0.00 0.00 37.83 34.17 2pyx s LYS 524 CO 0.59 -0.30 0.00 1.47 0.00 0.00 0.00 175.35 177.11