#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgx s ILE 3 N 0.00 0.00 -0.61 -0.18 2.07 -0.86 -4.94 121.20 116.68 2pgx s ILE 3 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 2pgx s ILE 3 Cb 0.00 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.63 2pgx s ILE 3 CO 0.00 0.00 1.14 0.00 -1.91 0.00 0.00 174.94 174.17 2pgx s LEU 5 N 4.82 4.15 -0.08 0.00 1.43 -1.26 -0.94 118.68 126.80 2pgx s LEU 5 Ca 0.37 1.20 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 2pgx s LEU 5 Cb -0.09 -3.29 0.01 0.00 0.03 0.00 0.00 46.19 42.84 2pgx s LEU 5 CO 0.21 -0.47 -0.17 -0.63 0.23 0.00 0.00 176.35 175.51 2pgx s ILE 6 N 2.44 1.54 -0.34 -0.59 1.01 -0.79 -4.96 121.20 119.51 2pgx s ILE 6 Ca 0.39 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2pgx s ILE 6 Cb -0.16 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2pgx s ILE 6 CO 0.11 0.45 0.21 -0.62 0.00 0.00 0.00 174.94 175.08 2pgx s ASP 7 N 0.50 5.86 -0.28 3.58 -1.08 -1.26 -1.45 116.67 122.55 2pgx s ASP 7 Ca -0.16 -0.54 0.08 0.00 -0.52 0.00 0.00 52.55 51.40 2pgx s ASP 7 Cb -0.17 -2.08 0.45 0.00 -1.46 0.00 0.00 42.92 39.66 2pgx s ASP 7 CO 0.06 -0.25 1.23 -0.62 0.52 0.00 0.00 175.17 176.11 2pgx n GLU 8 N 5.06 2.94 -0.10 4.34 1.02 -0.03 -4.67 120.64 129.19 2pgx n GLU 8 Ca -0.13 -3.86 -0.14 0.00 -0.02 0.00 0.00 57.16 53.01 2pgx n GLU 8 Cb 0.49 -2.07 -0.10 0.00 -0.02 0.00 0.00 31.44 29.74 2pgx n GLU 8 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2pgx n THR 9 N -0.85 1.21 -0.24 2.62 -2.24 -1.19 -3.86 114.28 109.73 2pgx n THR 9 Ca 0.37 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2pgx n THR 9 Cb 0.88 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2pgx n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pgx n GLY 10 N 2.43 2.26 0.29 3.38 0.00 -1.26 -4.87 105.19 107.42 2pgx n GLY 10 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 2pgx n GLY 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pgx h THR 11 N 0.00 1.21 -0.08 2.61 1.35 -1.98 -3.46 112.91 112.55 2pgx h THR 11 Ca 0.00 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 2pgx h THR 11 Cb 0.00 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 2pgx h THR 11 CO 0.00 0.21 -0.03 0.61 -0.25 0.00 0.00 175.52 176.06 2pgx n GLY 12 N -1.19 0.53 0.01 5.82 0.00 -1.26 -4.92 105.19 104.18 2pgx n GLY 12 Ca 0.07 -0.55 0.15 0.00 0.00 0.00 0.00 46.02 45.68 2pgx n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pgx n ASP 13 N 0.84 0.04 -0.02 1.61 5.68 -1.26 -4.90 116.55 118.54 2pgx n ASP 13 Ca -0.02 -0.50 -0.00 0.00 -0.50 0.00 0.00 54.79 53.77 2pgx n ASP 13 Cb 0.08 -0.16 -0.00 0.00 -1.14 0.00 0.00 41.12 39.90 2pgx n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pgx n GLY 14 N 1.18 0.44 0.26 6.12 0.00 -1.26 -4.95 105.19 106.98 2pgx n GLY 14 Ca 0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 2pgx n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgx h ALA 15 N 0.00 0.92 -0.58 4.61 0.00 -2.00 -2.09 119.26 120.13 2pgx h ALA 15 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2pgx h ALA 15 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2pgx h ALA 15 CO 0.01 0.09 0.11 1.25 0.00 0.00 0.00 179.25 180.70 2pgx h LEU 16 N 0.73 0.91 -0.89 0.00 6.46 -1.99 -0.78 115.31 119.74 2pgx h LEU 16 Ca 0.30 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2pgx h LEU 16 Cb 0.16 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 2pgx h LEU 16 CO -0.17 0.93 0.59 0.28 -0.62 0.00 0.00 178.44 179.44 2pgx h SER 17 N 0.85 1.00 -0.21 1.25 0.02 -1.88 0.17 113.55 114.74 2pgx h SER 17 Ca 0.18 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2pgx h SER 17 Cb 0.40 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2pgx h SER 17 CO 0.01 0.71 -0.06 0.58 -1.14 0.00 0.00 176.83 176.92 2pgx h VAL 18 N 1.17 1.29 -0.49 2.27 2.07 -1.15 -1.91 116.25 119.51 2pgx h VAL 18 Ca 0.34 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 2pgx h VAL 18 Cb -0.08 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pgx h VAL 18 CO -0.09 0.33 0.02 0.25 0.02 0.00 0.00 177.57 178.09 2pgx h LEU 19 N 0.12 0.76 -0.21 2.57 6.46 -0.82 -0.07 115.31 124.13 2pgx h LEU 19 Ca 0.05 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 2pgx h LEU 19 Cb 0.52 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2pgx h LEU 19 CO 0.02 0.81 0.03 0.00 -0.62 0.00 0.00 178.44 178.69 2pgx h ALA 20 N 1.27 0.28 -0.71 1.25 0.00 -0.61 -2.66 119.26 118.09 2pgx h ALA 20 Ca 0.15 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2pgx h ALA 20 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2pgx h ALA 20 CO 0.02 -0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.41 2pgx h ALA 21 N 0.83 0.93 -0.81 0.00 0.00 -1.11 0.41 119.26 119.51 2pgx h ALA 21 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2pgx h ALA 21 Cb 0.32 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2pgx h ALA 21 CO 0.00 0.64 0.53 -0.09 0.00 0.00 0.00 179.25 180.33 2pgx h ARG 22 N 1.06 0.91 -0.57 0.00 2.43 -0.93 -2.25 114.38 115.02 2pgx h ARG 22 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2pgx h ARG 22 Cb 0.35 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2pgx h ARG 22 CO -0.00 0.60 0.00 0.91 -1.51 0.00 0.00 179.97 179.97 2pgx n TRP 23 N -4.47 0.84 -3.58 2.20 7.02 -1.01 -4.97 117.44 113.47 2pgx n TRP 23 Ca 0.11 -0.52 -0.22 0.00 -1.02 0.00 0.00 57.50 55.85 2pgx n TRP 23 Cb 0.17 -0.04 0.08 0.00 -2.42 0.00 0.00 31.31 29.09 2pgx n TRP 23 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pgx n GLY 24 N 1.11 -0.47 3.84 6.99 0.00 0.12 -4.76 105.19 112.02 2pgx n GLY 24 Ca 0.20 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 2pgx n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pgx s LEU 25 N -6.99 4.43 -0.14 0.99 1.43 0.12 -4.90 118.68 113.62 2pgx s LEU 25 Ca 0.38 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 2pgx s LEU 25 Cb -0.17 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 43.19 2pgx s LEU 25 CO 0.74 0.24 -0.16 -0.70 0.23 0.00 0.00 176.35 176.70 2pgx s GLU 26 N -1.45 3.22 0.15 1.70 2.12 -1.26 -4.59 118.70 118.58 2pgx s GLU 26 Ca 0.29 -0.76 -0.31 0.00 0.36 0.00 0.00 54.97 54.55 2pgx s GLU 26 Cb -0.16 -2.58 -0.09 0.00 0.26 0.00 0.00 34.13 31.56 2pgx s GLU 26 CO 0.16 0.08 1.49 -1.58 -0.54 0.00 0.00 175.26 174.86 2pgx s HIS 27 N 0.66 3.14 -0.40 5.30 5.65 -1.26 -2.02 115.29 126.36 2pgx s HIS 27 Ca -0.08 0.79 0.01 0.00 0.25 0.00 0.00 55.06 56.03 2pgx s HIS 27 Cb -0.16 -3.82 0.13 0.00 -1.18 0.00 0.00 32.58 27.55 2pgx s HIS 27 CO 0.02 -2.94 0.20 0.34 -0.65 0.00 0.00 174.74 171.71 2pgx s ASP 28 N 1.08 3.70 0.30 9.88 2.15 0.52 -4.82 116.67 129.49 2pgx s ASP 28 Ca 0.67 -2.35 0.01 0.00 0.43 0.00 0.00 52.55 51.30 2pgx s ASP 28 Cb -0.41 -0.95 0.71 0.00 -0.30 0.00 0.00 42.92 41.97 2pgx s ASP 28 CO 0.31 -0.31 1.59 -0.08 -0.17 0.00 0.00 175.17 176.51 2pgx h GLU 29 N 7.08 0.04 -0.78 4.34 4.57 -1.93 -0.71 114.58 127.18 2pgx h GLU 29 Ca -0.03 -0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.80 2pgx h GLU 29 Cb 0.95 -0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 29.33 2pgx h GLU 29 CO 0.46 0.03 0.39 -0.25 -1.18 0.00 0.00 179.01 178.45 2pgx n ASP 30 N -5.44 3.96 -4.77 1.04 8.00 -1.26 -4.89 116.55 113.19 2pgx n ASP 30 Ca 0.22 -3.48 -0.38 0.00 0.71 0.00 0.00 54.79 51.87 2pgx n ASP 30 Cb 0.72 -0.77 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 2pgx n ASP 30 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2pgx s ASN 31 N -1.42 6.42 0.00 -2.24 3.84 -0.28 -5.07 114.94 116.20 2pgx s ASN 31 Ca 0.54 2.30 0.00 0.00 0.21 0.00 0.00 52.86 55.91 2pgx s ASN 31 Cb 0.45 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 2pgx s ASN 31 CO 0.10 -0.74 0.14 0.18 -2.79 0.00 0.00 177.10 173.99 2pgx n LEU 32 N -0.14 0.12 -3.64 3.21 4.77 -1.26 -4.72 117.00 115.33 2pgx n LEU 32 Ca 0.05 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 2pgx n LEU 32 Cb 0.47 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 2pgx n LEU 32 CO 0.49 0.03 1.05 0.00 -1.33 0.00 0.00 177.39 177.63 2pgx s ALA 34 N -1.39 -2.14 -0.30 -1.18 0.00 -0.80 -2.95 121.76 113.00 2pgx s ALA 34 Ca 0.00 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 2pgx s ALA 34 Cb 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 23.12 21.54 2pgx s ALA 34 CO 0.00 -0.16 0.01 -1.17 0.00 0.00 0.00 175.76 174.44 2pgx s LEU 35 N -0.12 3.89 -0.15 0.00 2.96 -0.11 -0.92 118.68 124.23 2pgx s LEU 35 Ca 0.06 -1.21 -0.03 0.00 -0.22 0.00 0.00 54.13 52.73 2pgx s LEU 35 Cb -0.04 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2pgx s LEU 35 CO -0.12 -0.26 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.93 2pgx s VAL 36 N 1.28 3.92 -0.52 1.68 1.01 0.81 -1.89 120.40 126.69 2pgx s VAL 36 Ca -0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2pgx s VAL 36 Cb -0.19 -2.71 0.10 0.00 0.00 0.00 0.00 36.38 33.58 2pgx s VAL 36 CO -0.01 0.51 0.50 -0.22 0.00 0.00 0.00 175.10 175.88 2pgx s LEU 37 N 0.20 5.81 0.51 3.92 2.96 -0.53 -0.30 118.68 131.25 2pgx s LEU 37 Ca -0.02 -1.53 0.05 0.00 -0.22 0.00 0.00 54.13 52.41 2pgx s LEU 37 Cb -0.14 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.35 2pgx s LEU 37 CO 0.03 -0.83 0.70 0.42 -1.32 0.00 0.00 176.35 175.35 2pgx s THR 38 N 1.84 2.72 0.44 3.68 -4.23 0.72 -0.85 115.64 119.96 2pgx s THR 38 Ca 0.05 -0.83 0.15 0.00 -1.18 0.00 0.00 61.69 59.89 2pgx s THR 38 Cb -0.27 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 70.86 2pgx s THR 38 CO 0.05 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.46 2pgx h PRO 39 N 0.28 0.00 0.09 3.99 0.11 -1.91 -2.94 132.00 131.62 2pgx h PRO 39 Ca -0.40 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.43 2pgx h PRO 39 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2pgx h PRO 39 CO 0.47 0.20 -1.40 0.93 -0.21 0.00 0.00 178.00 177.99 2pgx h GLU 40 N 0.00 0.19 0.00 1.05 4.39 -1.94 -3.50 114.58 114.78 2pgx h GLU 40 Ca -0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2pgx h GLU 40 Cb 0.36 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2pgx h GLU 40 CO 0.03 1.07 0.00 -2.39 -1.16 0.00 0.00 179.01 176.55 2pgx n HIS 41 N -3.42 0.00 -3.53 4.33 1.44 -1.11 -5.10 115.22 107.83 2pgx n HIS 41 Ca -0.12 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.21 2pgx n HIS 41 Cb 1.02 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 31.04 2pgx n HIS 41 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2pgx s LEU 42 N 0.00 4.09 0.22 2.39 2.96 -1.26 -0.20 118.68 126.87 2pgx s LEU 42 Ca 0.00 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 2pgx s LEU 42 Cb 0.00 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 2pgx s LEU 42 CO 0.00 -0.04 -0.09 -1.83 -1.32 0.00 0.00 176.35 173.07 2pgx s GLU 43 N 1.48 1.33 -0.10 1.98 -1.05 0.59 -4.58 118.70 118.36 2pgx s GLU 43 Ca 0.11 -1.62 -0.01 0.00 -0.15 0.00 0.00 54.97 53.30 2pgx s GLU 43 Cb -0.15 -0.92 -0.03 0.00 -0.44 0.00 0.00 34.13 32.60 2pgx s GLU 43 CO 0.08 0.07 -0.04 -1.17 0.95 0.00 0.00 175.26 175.14 2pgx s LEU 44 N -3.31 3.29 0.10 1.83 2.96 0.13 -0.14 118.68 123.55 2pgx s LEU 44 Ca 0.24 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2pgx s LEU 44 Cb 0.02 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2pgx s LEU 44 CO 0.07 0.31 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.18 2pgx s ARG 45 N -0.50 0.87 -0.80 1.98 0.52 -0.10 -0.99 118.95 119.93 2pgx s ARG 45 Ca 0.08 -1.20 -0.07 0.00 -0.52 0.00 0.00 55.73 54.02 2pgx s ARG 45 Cb -0.12 -0.52 0.21 0.00 0.52 0.00 0.00 34.95 35.04 2pgx s ARG 45 CO 0.02 0.07 0.69 0.21 0.02 0.00 0.00 175.30 176.31 2pgx s LYS 46 N -2.97 3.22 0.24 3.54 2.20 -1.26 -1.90 119.74 122.81 2pgx s LYS 46 Ca 0.07 -2.77 0.06 0.00 -0.36 0.00 0.00 55.97 52.98 2pgx s LYS 46 Cb -0.02 -4.08 0.70 0.00 -1.51 0.00 0.00 37.83 32.93 2pgx s LYS 46 CO -0.00 -1.24 1.13 0.54 -0.36 0.00 0.00 175.35 175.42 2pgx n ARG 47 N 3.26 -0.05 0.00 4.03 1.74 -1.15 0.50 116.66 124.99 2pgx n ARG 47 Ca 0.15 1.05 0.13 0.00 -0.77 0.00 0.00 57.85 58.41 2pgx n ARG 47 Cb 0.40 -1.74 0.79 0.00 -1.02 0.00 0.00 32.46 30.89 2pgx n ARG 47 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2pgx n ASP 48 N -4.86 0.00 -3.21 0.55 5.68 -1.26 -4.03 116.55 109.42 2pgx n ASP 48 Ca 0.21 -0.77 -0.24 0.00 -0.50 0.00 0.00 54.79 53.49 2pgx n ASP 48 Cb 0.69 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.57 2pgx n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pgx n GLU 49 N -1.03 0.97 -0.30 0.11 1.02 0.18 -4.97 120.64 116.63 2pgx n GLU 49 Ca 0.20 -3.42 0.12 0.00 -0.02 0.00 0.00 57.16 54.03 2pgx n GLU 49 Cb 0.10 -1.40 0.35 0.00 -0.02 0.00 0.00 31.44 30.48 2pgx n GLU 49 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2pgx h PRO 50 N 3.88 0.73 0.00 3.49 0.11 -1.70 -0.65 132.00 137.86 2pgx h PRO 50 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2pgx h PRO 50 Cb 0.86 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2pgx h PRO 50 CO 0.51 0.48 0.16 -0.22 -0.21 0.00 0.00 178.00 178.73 2pgx h LYS 51 N 0.75 0.00 0.00 1.05 3.64 -1.93 -0.64 116.57 119.44 2pgx h LYS 51 Ca 0.48 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.80 2pgx h LYS 51 Cb 0.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2pgx h LYS 51 CO -0.25 0.00 -0.32 -0.07 -2.27 0.00 0.00 179.45 176.54 2pgx h LEU 52 N 0.00 0.00 0.00 5.20 3.38 -1.47 -3.50 115.31 118.92 2pgx h LEU 52 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2pgx h LEU 52 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2pgx h LEU 52 CO 0.00 0.32 -0.01 0.61 0.09 0.00 0.00 178.44 179.46 2pgx n GLY 53 N 0.95 -2.04 3.55 0.83 0.00 -0.25 -4.89 105.19 103.34 2pgx n GLY 53 Ca 0.02 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2pgx n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pgx s GLY 54 N -1.63 1.74 -0.05 -0.02 0.00 -1.26 -4.45 107.32 101.65 2pgx s GLY 54 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.40 2pgx s GLY 54 CO 0.00 -1.34 -0.11 -0.26 0.00 0.00 0.00 173.10 171.38 2pgx s ILE 55 N -1.36 3.32 0.15 0.90 -4.36 -0.16 -4.88 121.20 114.80 2pgx s ILE 55 Ca 0.22 -0.66 -0.08 0.00 -0.26 0.00 0.00 60.65 59.86 2pgx s ILE 55 Cb -0.10 -2.34 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 2pgx s ILE 55 CO 0.13 0.57 0.24 0.72 0.24 0.00 0.00 174.94 176.84 2pgx s PHE 56 N -0.79 0.42 -0.28 1.37 -0.71 -1.26 -0.69 117.98 116.04 2pgx s PHE 56 Ca 0.12 -0.80 -0.17 0.00 -1.04 0.00 0.00 56.93 55.04 2pgx s PHE 56 Cb -0.11 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 2pgx s PHE 56 CO 0.02 -0.67 0.49 0.08 -1.34 0.00 0.00 175.22 173.80 2pgx s VAL 57 N -3.96 5.08 -0.20 -2.49 1.01 -1.26 -5.03 120.40 113.54 2pgx s VAL 57 Ca 0.16 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.84 2pgx s VAL 57 Cb 0.04 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.66 2pgx s VAL 57 CO -0.01 0.05 0.08 -0.62 0.00 0.00 0.00 175.10 174.59 2pgx s ASP 58 N 1.60 2.77 0.20 3.32 2.15 -1.26 -4.16 116.67 121.29 2pgx s ASP 58 Ca 0.20 -0.82 0.25 0.00 0.43 0.00 0.00 52.55 52.60 2pgx s ASP 58 Cb -0.16 -0.40 0.49 0.00 -0.30 0.00 0.00 42.92 42.55 2pgx s ASP 58 CO 0.10 -0.35 1.51 -0.26 -0.17 0.00 0.00 175.17 176.00 2pgx h PHE 59 N 8.34 0.00 0.20 -5.34 0.04 -1.96 -3.38 116.94 114.84 2pgx h PHE 59 Ca -0.16 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.33 2pgx h PHE 59 Cb 1.12 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.30 2pgx h PHE 59 CO 0.22 0.00 -1.22 0.28 -0.60 0.00 0.00 178.31 176.99 2pgx h VAL 60 N 0.00 1.36 -0.16 -0.55 2.07 -1.94 -3.39 116.25 113.64 2pgx h VAL 60 Ca 0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2pgx h VAL 60 Cb 0.80 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2pgx h VAL 60 CO 0.00 0.77 0.00 0.61 0.02 0.00 0.00 177.57 178.97 2pgx n GLY 61 N 1.65 5.41 7.00 2.17 0.00 -1.26 -4.70 105.19 115.46 2pgx n GLY 61 Ca -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2pgx n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgx n GLY 62 N 0.50 0.96 1.04 -0.02 0.00 -1.26 -2.24 105.19 104.16 2pgx n GLY 62 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2pgx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgx n ALA 63 N 4.03 1.41 0.00 4.61 0.00 -1.26 -1.97 120.51 127.32 2pgx n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pgx n ALA 63 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2pgx n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pgx n ALA 65 N 0.98 0.00 -0.04 0.00 0.00 -0.95 -1.44 120.51 119.06 2pgx n ALA 65 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2pgx n ALA 65 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2pgx n ALA 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pgx h HIS 66 N 0.00 0.26 -0.21 0.00 -0.00 -1.65 -2.03 115.15 111.53 2pgx h HIS 66 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 2pgx h HIS 66 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2pgx h HIS 66 CO 0.00 0.40 -0.15 -0.09 -0.00 0.00 0.00 177.93 178.09 2pgx h ARG 67 N 0.04 0.34 -0.40 5.26 2.43 -1.53 1.00 114.38 121.53 2pgx h ARG 67 Ca 0.05 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2pgx h ARG 67 Cb 0.28 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2pgx h ARG 67 CO 0.00 0.49 0.11 -0.09 -1.51 0.00 0.00 179.97 178.97 2pgx h ARG 68 N 0.32 0.64 0.00 0.20 2.43 -1.76 0.81 114.38 117.02 2pgx h ARG 68 Ca 0.06 -0.15 -0.19 0.00 -0.81 0.00 0.00 59.98 58.89 2pgx h ARG 68 Cb 0.45 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2pgx h ARG 68 CO 0.03 0.66 -0.91 -0.22 -1.51 0.00 0.00 179.97 178.02 2pgx h LYS 69 N 0.51 0.00 0.00 0.20 1.63 -1.12 -3.40 116.57 114.39 2pgx h LYS 69 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2pgx h LYS 69 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2pgx h LYS 69 CO 0.00 0.91 -0.54 1.19 -3.45 0.00 0.00 179.45 177.56 2pgx n PHE 70 N -3.34 0.00 0.29 1.91 3.72 0.32 -4.74 117.46 115.62 2pgx n PHE 70 Ca 0.00 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 2pgx n PHE 70 Cb 0.90 0.00 0.83 0.00 -0.94 0.00 0.00 39.48 40.27 2pgx n PHE 70 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2pgx h GLY 71 N 0.00 0.00 0.00 1.37 0.00 0.53 -3.47 103.07 101.50 2pgx h GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pgx h GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2pgx n GLY 72 N -0.49 0.98 7.00 4.60 0.00 -1.26 -4.47 105.19 111.54 2pgx n GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pgx n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgx n GLY 73 N -1.06 2.38 0.21 -0.02 0.00 -1.26 -1.36 105.19 104.07 2pgx n GLY 73 Ca 0.00 0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.50 2pgx n GLY 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pgx h ARG 74 N 0.00 0.00 -0.00 1.61 0.11 -1.93 -0.73 114.38 113.44 2pgx h ARG 74 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pgx h ARG 74 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2pgx h ARG 74 CO 0.00 0.00 -0.13 0.41 0.10 0.00 0.00 179.97 180.35 2pgx n GLY 75 N -0.85 -0.99 3.76 0.08 0.00 -0.47 -4.27 105.19 102.46 2pgx n GLY 75 Ca -0.01 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2pgx n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pgx s GLU 76 N -2.54 2.81 0.25 1.61 2.02 -0.28 -4.88 118.70 117.69 2pgx s GLU 76 Ca 0.27 1.54 -0.05 0.00 0.02 0.00 0.00 54.97 56.75 2pgx s GLU 76 Cb 0.20 -1.94 0.33 0.00 0.10 0.00 0.00 34.13 32.82 2pgx s GLU 76 CO 0.49 -1.27 1.90 0.00 0.02 0.00 0.00 175.26 176.40 2pgx h ALA 77 N 0.29 1.31 -0.16 5.21 0.00 -1.90 -1.86 119.26 122.15 2pgx h ALA 77 Ca -0.48 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2pgx h ALA 77 Cb 1.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2pgx h ALA 77 CO 0.54 0.52 -0.52 -0.24 0.00 0.00 0.00 179.25 179.55 2pgx h VAL 78 N 1.24 1.33 -0.70 0.00 3.04 -1.94 -1.31 116.25 117.91 2pgx h VAL 78 Ca 0.39 -1.77 -0.07 0.00 -1.01 0.00 0.00 66.70 64.25 2pgx h VAL 78 Cb 0.02 1.77 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 2pgx h VAL 78 CO -0.13 0.54 0.16 0.00 -1.01 0.00 0.00 177.57 177.13 2pgx h ALA 79 N 1.09 0.96 -0.10 3.17 0.00 -1.69 -2.31 119.26 120.38 2pgx h ALA 79 Ca 0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2pgx h ALA 79 Cb 1.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2pgx h ALA 79 CO 0.09 0.67 -0.67 0.87 0.00 0.00 0.00 179.25 180.21 2pgx h LYS 80 N 1.06 0.39 -0.65 0.00 1.57 -1.17 -2.19 116.57 115.58 2pgx h LYS 80 Ca 0.22 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2pgx h LYS 80 Cb 0.38 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2pgx h LYS 80 CO 0.00 0.92 0.26 0.00 -0.57 0.00 0.00 179.45 180.06 2pgx h ALA 81 N 1.01 0.84 0.00 3.86 0.00 -0.93 -1.88 119.26 122.16 2pgx h ALA 81 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pgx h ALA 81 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pgx h ALA 81 CO 0.11 0.46 0.00 1.33 0.00 0.00 0.00 179.25 181.15 2pgx n VAL 82 N -4.42 0.61 -0.11 0.00 0.24 -0.90 -4.85 118.33 108.90 2pgx n VAL 82 Ca 0.04 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 2pgx n VAL 82 Cb 0.17 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 2pgx n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pgx n GLY 83 N 0.12 0.70 3.67 7.63 0.00 -0.71 -4.95 105.19 111.65 2pgx n GLY 83 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.62 2pgx n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pgx n ILE 84 N -2.04 0.15 -3.63 -0.61 5.41 -0.83 -4.95 119.36 112.87 2pgx n ILE 84 Ca 0.00 -0.03 -0.08 0.00 1.00 0.00 0.00 62.75 63.64 2pgx n ILE 84 Cb 0.00 -1.57 -0.06 0.00 -0.71 0.00 0.00 39.64 37.30 2pgx n ILE 84 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2pgx s LYS 85 N 1.72 0.43 6.47 0.38 2.20 -1.16 -4.65 119.74 125.13 2pgx s LYS 85 Ca 0.83 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 2pgx s LYS 85 Cb -0.71 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.82 2pgx s LYS 85 CO 0.42 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 2pgx n GLY 86 N 1.66 3.49 0.81 5.54 0.00 -1.26 -0.50 105.19 114.92 2pgx n GLY 86 Ca -0.11 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.97 2pgx n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pgx n ASP 87 N 4.66 2.42 -4.58 1.61 2.03 -1.26 -4.86 116.55 116.58 2pgx n ASP 87 Ca 0.00 -1.85 -0.42 0.00 0.52 0.00 0.00 54.79 53.04 2pgx n ASP 87 Cb 0.00 -0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.19 2pgx n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2pgx s TYR 88 N -1.64 2.59 -0.57 -0.67 5.04 0.34 -4.95 117.35 117.49 2pgx s TYR 88 Ca 0.34 0.40 0.04 0.00 -2.44 0.00 0.00 57.07 55.41 2pgx s TYR 88 Cb 0.19 -4.52 0.16 0.00 0.35 0.00 0.00 41.96 38.14 2pgx s TYR 88 CO 0.28 -1.62 0.38 -0.51 -1.34 0.00 0.00 175.55 172.74 2pgx s LEU 89 N 5.01 3.71 0.75 6.97 1.43 -1.26 -2.99 118.68 132.29 2pgx s LEU 89 Ca 0.43 -3.33 -0.15 0.00 -1.03 0.00 0.00 54.13 50.06 2pgx s LEU 89 Cb -0.07 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.89 2pgx s LEU 89 CO 0.25 -0.16 1.21 -2.16 0.23 0.00 0.00 176.35 175.72 2pgx s PRO 90 N -0.63 2.02 0.11 1.29 0.04 -1.26 -4.68 135.00 131.89 2pgx s PRO 90 Ca 0.23 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 2pgx s PRO 90 Cb -0.11 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2pgx s PRO 90 CO -0.11 -1.93 0.88 -0.51 0.04 0.00 0.00 177.00 175.38 2pgx s ASP 91 N -2.06 7.42 0.05 6.66 1.01 -1.26 -3.90 116.67 124.59 2pgx s ASP 91 Ca 0.74 1.69 0.07 0.00 0.71 0.00 0.00 52.55 55.77 2pgx s ASP 91 Cb -0.29 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.07 2pgx s ASP 91 CO 0.47 0.00 -0.21 -0.69 0.21 0.00 0.00 175.17 174.95 2pgx s VAL 92 N -0.23 1.67 -0.17 -1.27 1.01 0.21 -1.88 120.40 119.75 2pgx s VAL 92 Ca 0.43 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2pgx s VAL 92 Cb -0.23 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2pgx s VAL 92 CO 0.28 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.69 2pgx s VAL 93 N -0.82 1.97 -0.48 2.92 1.01 -0.68 -0.75 120.40 123.56 2pgx s VAL 93 Ca 0.07 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2pgx s VAL 93 Cb -0.09 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2pgx s VAL 93 CO 0.02 0.53 0.39 -0.62 0.00 0.00 0.00 175.10 175.42 2pgx s ASP 94 N 1.23 5.99 0.00 3.32 -1.08 0.19 -1.10 116.67 125.22 2pgx s ASP 94 Ca 0.02 -1.58 0.26 0.00 -0.52 0.00 0.00 52.55 50.73 2pgx s ASP 94 Cb -0.13 -2.13 1.55 0.00 -1.46 0.00 0.00 42.92 40.75 2pgx s ASP 94 CO -0.10 -0.69 1.94 0.00 0.52 0.00 0.00 175.17 176.83 2pgx n ALA 95 N 5.12 2.55 -2.70 3.66 0.00 -0.95 -0.92 120.51 127.26 2pgx n ALA 95 Ca -0.12 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 2pgx n ALA 95 Cb 0.42 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.50 2pgx n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pgx n THR 96 N -0.95 0.69 -0.34 0.00 -2.24 -1.22 -4.71 114.28 105.51 2pgx n THR 96 Ca 0.19 -2.74 0.14 0.00 -2.27 0.00 0.00 64.05 59.37 2pgx n THR 96 Cb 0.09 0.71 0.29 0.00 -2.10 0.00 0.00 70.33 69.32 2pgx n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pgx h ALA 97 N 2.77 1.16 -0.88 6.98 0.00 -1.46 -3.43 119.26 124.39 2pgx h ALA 97 Ca -0.13 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pgx h ALA 97 Cb 1.20 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2pgx h ALA 97 CO 0.36 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2pgx n GLY 98 N -1.49 4.04 0.17 0.00 0.00 -1.26 -0.27 105.19 106.38 2pgx n GLY 98 Ca 0.23 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.53 2pgx n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pgx n LEU 99 N 0.00 0.54 -0.15 0.99 4.77 -1.26 -4.81 117.00 117.08 2pgx n LEU 99 Ca 0.00 -0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 55.81 2pgx n LEU 99 Cb 0.00 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2pgx n LEU 99 CO 0.00 0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 176.74 2pgx n GLY 100 N 1.10 0.48 0.50 -0.72 0.00 0.63 -4.94 105.19 102.24 2pgx n GLY 100 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2pgx n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pgx h ARG 101 N 0.47 -1.18 -0.58 1.61 3.08 -1.91 -0.16 114.38 115.70 2pgx h ARG 101 Ca -0.04 0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2pgx h ARG 101 Cb 0.41 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2pgx h ARG 101 CO 0.06 -0.78 0.26 -0.44 -1.07 0.00 0.00 179.97 177.99 2pgx h ASP 102 N -1.22 0.78 -0.97 7.04 3.32 -1.92 -2.57 116.42 120.88 2pgx h ASP 102 Ca -0.12 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 56.89 2pgx h ASP 102 Cb 0.95 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.22 2pgx h ASP 102 CO 0.17 0.72 0.62 0.00 -1.72 0.00 0.00 179.24 179.02 2pgx h ALA 103 N 1.10 1.56 -0.36 3.45 0.00 -1.88 -1.16 119.26 121.96 2pgx h ALA 103 Ca 0.20 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2pgx h ALA 103 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pgx h ALA 103 CO -0.02 0.22 -0.19 0.35 0.00 0.00 0.00 179.25 179.61 2pgx h PHE 104 N 0.97 0.76 0.01 0.00 3.57 -0.63 -1.44 116.94 120.17 2pgx h PHE 104 Ca 0.46 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2pgx h PHE 104 Cb 0.45 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2pgx h PHE 104 CO -0.00 0.82 -0.00 0.28 -2.23 0.00 0.00 178.31 177.17 2pgx h VAL 105 N 0.60 1.13 -0.75 1.41 2.07 -0.95 0.10 116.25 119.86 2pgx h VAL 105 Ca 0.09 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2pgx h VAL 105 Cb 0.65 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2pgx h VAL 105 CO 0.05 0.10 0.49 -0.07 0.02 0.00 0.00 177.57 178.16 2pgx h LEU 106 N -0.18 0.82 -0.56 2.57 3.38 -1.19 -0.68 115.31 119.46 2pgx h LEU 106 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2pgx h LEU 106 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pgx h LEU 106 CO 0.00 0.57 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 2pgx h ALA 107 N 1.30 0.76 -0.28 1.53 0.00 -1.14 -1.11 119.26 120.33 2pgx h ALA 107 Ca 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pgx h ALA 107 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pgx h ALA 107 CO -0.09 0.65 0.09 0.77 0.00 0.00 0.00 179.25 180.67 2pgx h SER 108 N 0.92 0.35 1.20 0.00 0.02 0.04 -1.63 113.55 114.45 2pgx h SER 108 Ca 0.15 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2pgx h SER 108 Cb 0.64 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2pgx h SER 108 CO 0.04 0.34 -0.25 0.58 -1.14 0.00 0.00 176.83 176.40 2pgx h VAL 109 N 0.39 0.53 0.00 2.27 2.07 -1.01 -3.46 116.25 117.03 2pgx h VAL 109 Ca 0.10 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2pgx h VAL 109 Cb 0.12 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2pgx h VAL 109 CO -0.01 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.44 2pgx n GLY 110 N 0.53 -0.20 3.82 2.17 0.00 -0.62 -4.98 105.19 105.91 2pgx n GLY 110 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2pgx n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgx s ARG 112 N -2.22 3.33 -0.07 0.00 3.52 -1.25 -4.01 118.95 118.25 2pgx s ARG 112 Ca 0.47 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 2pgx s ARG 112 Cb -0.15 -3.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.23 2pgx s ARG 112 CO 0.20 -1.18 -0.08 0.08 -0.81 0.00 0.00 175.30 173.51 2pgx s VAL 113 N 3.26 3.58 0.45 7.11 1.01 0.26 -0.62 120.40 135.46 2pgx s VAL 113 Ca 0.27 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2pgx s VAL 113 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2pgx s VAL 113 CO 0.20 0.59 0.02 -0.13 0.00 0.00 0.00 175.10 175.78 2pgx s ARG 114 N -0.66 2.04 -0.30 2.72 0.52 0.07 -2.23 118.95 121.10 2pgx s ARG 114 Ca 0.10 -2.22 -0.19 0.00 -0.52 0.00 0.00 55.73 52.90 2pgx s ARG 114 Cb -0.11 -1.48 0.20 0.00 0.52 0.00 0.00 34.95 34.08 2pgx s ARG 114 CO 0.02 -0.22 1.31 -0.51 0.02 0.00 0.00 175.30 175.92 2pgx s LEU 116 N -3.76 -0.07 -0.16 2.53 1.02 -0.10 -0.64 118.68 117.51 2pgx s LEU 116 Ca 0.22 0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.44 2pgx s LEU 116 Cb 0.06 1.11 0.07 0.00 0.02 0.00 0.00 46.19 47.44 2pgx s LEU 116 CO 0.11 -0.02 0.13 -0.70 0.02 0.00 0.00 176.35 175.90 2pgx s GLU 117 N 0.73 0.08 0.18 1.70 2.56 -1.21 -1.91 118.70 120.84 2pgx s GLU 117 Ca -0.03 0.11 0.06 0.00 0.00 0.00 0.00 54.97 55.10 2pgx s GLU 117 Cb -0.03 -1.38 0.03 0.00 2.00 0.00 0.00 34.13 34.75 2pgx s GLU 117 CO -0.12 -0.60 1.41 0.07 -0.56 0.00 0.00 175.26 175.46 2pgx h ARG 118 N 8.38 0.09 -6.31 4.30 0.11 -1.90 -3.42 114.38 115.64 2pgx h ARG 118 Ca -0.15 -0.10 -0.57 0.00 0.10 0.00 0.00 59.98 59.26 2pgx h ARG 118 Cb 1.14 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.22 2pgx h ARG 118 CO 0.26 0.88 1.19 1.21 0.10 0.00 0.00 179.97 183.61 2pgx s ASN 119 N -6.85 6.15 0.27 0.08 3.84 -1.26 -4.91 114.94 112.25 2pgx s ASN 119 Ca -0.01 1.37 -0.01 0.00 0.21 0.00 0.00 52.86 54.41 2pgx s ASN 119 Cb 0.11 -2.53 0.50 0.00 -0.55 0.00 0.00 41.25 38.78 2pgx s ASN 119 CO 0.81 -1.49 1.81 1.55 -2.79 0.00 0.00 177.10 176.99 2pgx h PRO 120 N 11.72 0.82 -0.47 0.43 0.13 -1.86 0.72 132.00 143.49 2pgx h PRO 120 Ca -0.33 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2pgx h PRO 120 Cb 1.15 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2pgx h PRO 120 CO 1.03 0.54 -0.22 0.28 -0.23 0.00 0.00 178.00 179.40 2pgx h VAL 121 N 0.84 1.27 -0.33 1.56 2.07 -1.91 -0.77 116.25 118.99 2pgx h VAL 121 Ca 0.46 -1.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 2pgx h VAL 121 Cb 0.49 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2pgx h VAL 121 CO -0.28 0.48 -0.42 0.58 0.02 0.00 0.00 177.57 177.95 2pgx h VAL 122 N 0.84 1.28 -0.53 2.57 2.07 -1.86 -2.71 116.25 117.90 2pgx h VAL 122 Ca 0.11 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 2pgx h VAL 122 Cb 0.80 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2pgx h VAL 122 CO 0.07 0.52 0.32 0.00 0.02 0.00 0.00 177.57 178.50 2pgx h ALA 123 N 0.72 1.55 -0.62 1.67 0.00 -0.73 -1.49 119.26 120.38 2pgx h ALA 123 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2pgx h ALA 123 Cb 1.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2pgx h ALA 123 CO 0.10 0.39 0.08 0.00 0.00 0.00 0.00 179.25 179.82 2pgx h ALA 124 N 1.62 0.82 -0.49 0.00 0.00 -0.97 -1.14 119.26 119.09 2pgx h ALA 124 Ca 0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2pgx h ALA 124 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2pgx h ALA 124 CO -0.04 0.59 0.09 -0.07 0.00 0.00 0.00 179.25 179.83 2pgx h LEU 125 N 0.94 0.78 -0.38 0.00 3.38 -1.03 -2.41 115.31 116.58 2pgx h LEU 125 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2pgx h LEU 125 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2pgx h LEU 125 CO 0.02 0.83 0.16 -0.07 0.09 0.00 0.00 178.44 179.46 2pgx h LEU 126 N 0.69 0.51 -0.97 1.67 3.38 -1.10 -2.24 115.31 117.25 2pgx h LEU 126 Ca 0.15 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2pgx h LEU 126 Cb 0.38 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2pgx h LEU 126 CO 0.01 0.53 0.64 -0.78 0.09 0.00 0.00 178.44 178.93 2pgx h ASP 127 N 0.46 1.10 -0.51 -0.43 3.58 -1.16 0.13 116.42 119.60 2pgx h ASP 127 Ca 0.13 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 2pgx h ASP 127 Cb 0.17 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2pgx h ASP 127 CO -0.01 0.79 -0.10 -0.78 -2.88 0.00 0.00 179.24 176.26 2pgx h ASP 128 N 1.30 0.96 0.33 2.28 3.58 -1.28 -0.67 116.42 122.91 2pgx h ASP 128 Ca 0.36 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2pgx h ASP 128 Cb -0.12 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.66 2pgx h ASP 128 CO -0.09 1.09 -0.49 1.23 -2.88 0.00 0.00 179.24 178.10 2pgx h GLY 129 N 0.82 0.21 1.46 -0.78 0.00 -0.91 -2.04 103.07 101.83 2pgx h GLY 129 Ca 0.13 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 2pgx h GLY 129 CO 0.04 0.20 -0.42 -2.00 0.00 0.00 0.00 176.54 174.37 2pgx h LEU 130 N 0.16 0.63 0.03 3.11 5.85 -0.48 0.20 115.31 124.80 2pgx h LEU 130 Ca 0.01 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2pgx h LEU 130 Cb 0.93 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2pgx h LEU 130 CO 0.07 0.97 -0.01 0.00 -0.34 0.00 0.00 178.44 179.13 2pgx h ALA 131 N 1.06 -0.03 -0.52 1.25 0.00 -0.74 0.50 119.26 120.78 2pgx h ALA 131 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2pgx h ALA 131 Cb 0.93 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2pgx h ALA 131 CO 0.08 -0.48 0.06 0.00 0.00 0.00 0.00 179.25 178.91 2pgx h ARG 132 N -0.12 0.88 -0.84 0.00 3.08 -1.25 -2.81 114.38 113.31 2pgx h ARG 132 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 2pgx h ARG 132 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2pgx h ARG 132 CO 0.01 0.88 0.41 0.78 -1.07 0.00 0.00 179.97 180.97 2pgx h GLY 133 N 0.75 1.30 2.00 0.04 0.00 -0.44 -2.35 103.07 104.36 2pgx h GLY 133 Ca 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2pgx h GLY 133 CO 0.02 0.61 -0.23 -0.97 0.00 0.00 0.00 176.54 175.96 2pgx h TYR 134 N 1.20 0.00 -0.11 5.60 0.05 -0.76 -2.38 116.97 120.57 2pgx h TYR 134 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 2pgx h TYR 134 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2pgx h TYR 134 CO 0.01 0.23 0.00 0.00 -1.05 0.00 0.00 178.16 177.36 2pgx n ALA 135 N -2.45 2.52 -2.71 3.88 0.00 -0.89 -4.31 120.51 116.55 2pgx n ALA 135 Ca -0.02 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2pgx n ALA 135 Cb 0.30 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 2pgx n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pgx s ASP 136 N -1.23 7.19 0.35 0.00 2.15 -0.90 -4.93 116.67 119.31 2pgx s ASP 136 Ca 0.17 1.44 0.04 0.00 0.43 0.00 0.00 52.55 54.64 2pgx s ASP 136 Cb 0.09 -2.50 0.67 0.00 -0.30 0.00 0.00 42.92 40.88 2pgx s ASP 136 CO 0.13 -0.20 1.98 0.00 -0.17 0.00 0.00 175.17 176.91 2pgx h ALA 137 N 6.80 1.62 0.00 3.66 0.00 -1.90 0.11 119.26 129.55 2pgx h ALA 137 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pgx h ALA 137 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pgx h ALA 137 CO 0.76 0.31 -0.05 1.49 0.00 0.00 0.00 179.25 181.75 2pgx h GLU 138 N 0.83 0.00 0.00 0.00 4.81 -1.95 -3.42 114.58 114.85 2pgx h GLU 138 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2pgx h GLU 138 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2pgx h GLU 138 CO -0.08 0.00 -1.17 0.44 -0.73 0.00 0.00 179.01 177.47 2pgx n ILE 139 N -4.35 0.15 -0.38 2.32 -5.35 -1.25 -4.44 119.36 106.06 2pgx n ILE 139 Ca -0.01 -0.27 0.30 0.00 -0.27 0.00 0.00 62.75 62.50 2pgx n ILE 139 Cb 0.03 0.23 0.59 0.00 -1.74 0.00 0.00 39.64 38.75 2pgx n ILE 139 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2pgx h GLY 140 N 4.48 1.22 0.01 3.28 0.00 -0.75 -0.14 103.07 111.17 2pgx h GLY 140 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2pgx h GLY 140 CO 0.00 -0.26 -0.00 -1.33 0.00 0.00 0.00 176.54 174.94 2pgx h GLY 141 N 0.23 -0.01 2.00 4.60 0.00 -1.78 -2.76 103.07 105.35 2pgx h GLY 141 Ca 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.02 2pgx h GLY 141 CO -0.35 -0.00 -0.10 0.11 0.00 0.00 0.00 176.54 176.20 2pgx h TRP 142 N -0.01 0.00 -0.35 5.60 5.08 -1.83 -2.82 115.95 121.62 2pgx h TRP 142 Ca -0.00 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.87 2pgx h TRP 142 Cb 0.01 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.16 2pgx h TRP 142 CO 0.18 0.10 -0.15 1.25 -1.28 0.00 0.00 178.44 178.54 2pgx h LEU 143 N 0.00 0.74 -2.38 0.11 5.85 -1.09 0.26 115.31 118.79 2pgx h LEU 143 Ca -0.00 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 2pgx h LEU 143 Cb 0.34 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2pgx h LEU 143 CO 0.01 0.97 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.46 2pgx h GLN 144 N 0.50 0.00 0.00 1.25 4.15 -1.22 -0.50 115.11 119.29 2pgx h GLN 144 Ca 0.08 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.18 2pgx h GLN 144 Cb 0.69 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.32 2pgx h GLN 144 CO 0.05 0.01 -2.29 -1.91 -1.93 0.00 0.00 178.83 172.76 2pgx n GLU 145 N -3.91 0.68 0.00 1.69 4.07 -1.03 -4.57 120.64 117.58 2pgx n GLU 145 Ca -0.03 -0.01 0.10 0.00 -0.06 0.00 0.00 57.16 57.16 2pgx n GLU 145 Cb 0.09 -1.54 -0.10 0.00 -0.06 0.00 0.00 31.44 29.83 2pgx n GLU 145 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2pgx n ARG 146 N -2.71 0.33 -3.58 5.31 1.74 0.05 -4.74 116.66 113.06 2pgx n ARG 146 Ca -0.28 -0.13 -0.28 0.00 -0.77 0.00 0.00 57.85 56.39 2pgx n ARG 146 Cb 1.08 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 30.89 2pgx n ARG 146 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2pgx s LEU 147 N -2.90 0.67 0.08 0.55 2.96 -0.21 0.93 118.68 120.75 2pgx s LEU 147 Ca 0.09 -1.17 0.06 0.00 -0.22 0.00 0.00 54.13 52.89 2pgx s LEU 147 Cb 0.16 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.43 2pgx s LEU 147 CO 0.81 -0.42 -0.17 -1.10 -1.32 0.00 0.00 176.35 174.16 2pgx s GLN 148 N 2.06 0.94 -0.01 1.98 -0.21 -0.95 -4.61 119.66 118.87 2pgx s GLN 148 Ca 0.07 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 2pgx s GLN 148 Cb -0.16 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 2pgx s GLN 148 CO -0.29 0.24 0.10 -1.17 -2.12 0.00 0.00 175.29 172.04 2pgx s LEU 149 N -1.77 3.98 -0.04 2.90 2.96 -1.26 -4.34 118.68 121.11 2pgx s LEU 149 Ca 0.01 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2pgx s LEU 149 Cb -0.10 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.28 2pgx s LEU 149 CO 0.03 0.27 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.64 2pgx s ILE 150 N -1.22 0.66 -0.40 6.68 1.01 -1.26 -5.01 121.20 121.66 2pgx s ILE 150 Ca 0.24 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 2pgx s ILE 150 Cb -0.12 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.72 2pgx s ILE 150 CO 0.15 0.24 0.29 -2.28 0.00 0.00 0.00 174.94 173.34 2pgx s HIS 151 N 0.69 3.24 -0.05 3.97 5.65 -1.26 -3.35 115.29 124.18 2pgx s HIS 151 Ca -0.10 -0.52 -0.31 0.00 0.25 0.00 0.00 55.06 54.37 2pgx s HIS 151 Cb -0.13 -2.57 0.12 0.00 -1.18 0.00 0.00 32.58 28.81 2pgx s HIS 151 CO 0.01 -0.55 1.13 0.00 -0.65 0.00 0.00 174.74 174.68 2pgx s ALA 152 N 1.69 -2.01 -0.17 1.58 0.00 -1.26 -5.05 121.76 116.53 2pgx s ALA 152 Ca 0.05 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 2pgx s ALA 152 Cb -0.19 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2pgx s ALA 152 CO 0.10 -0.81 1.37 -1.12 0.00 0.00 0.00 175.76 175.30 2pgx s SER 153 N -2.58 6.80 0.00 0.00 0.01 -1.26 -4.38 113.70 112.29 2pgx s SER 153 Ca 0.10 1.70 0.08 0.00 1.31 0.00 0.00 55.95 59.15 2pgx s SER 153 Cb 0.01 -2.54 0.49 0.00 0.21 0.00 0.00 66.02 64.19 2pgx s SER 153 CO -0.04 -0.88 0.98 -1.54 0.41 0.00 0.00 173.24 172.16 2pgx n SER 154 N 7.03 0.00 -0.09 2.44 3.41 -1.26 -0.06 113.62 125.09 2pgx n SER 154 Ca 0.15 -0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2pgx n SER 154 Cb 0.45 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 2pgx n SER 154 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pgx n LEU 155 N -1.04 1.14 -0.13 1.04 4.32 -1.26 -4.11 117.00 116.96 2pgx n LEU 155 Ca 0.06 -0.04 -0.23 0.00 -0.02 0.00 0.00 56.01 55.78 2pgx n LEU 155 Cb 0.03 -0.03 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 2pgx n LEU 155 CO 0.05 0.57 -1.34 0.35 -1.22 0.00 0.00 177.39 175.81 2pgx n THR 156 N -2.79 1.52 0.59 -5.08 -2.24 -0.87 -4.41 114.28 100.99 2pgx n THR 156 Ca -0.30 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2pgx n THR 156 Cb 0.98 -1.63 0.44 0.00 -2.10 0.00 0.00 70.33 68.02 2pgx n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pgx n ALA 157 N -3.63 2.09 0.77 6.98 0.00 0.92 -3.13 120.51 124.51 2pgx n ALA 157 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.01 2pgx n ALA 157 Cb 0.94 -1.44 0.30 0.00 0.00 0.00 0.00 19.45 19.25 2pgx n ALA 157 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pgx n LEU 158 N -2.18 0.00 -0.02 0.00 7.94 -1.23 -2.21 117.00 119.30 2pgx n LEU 158 Ca 0.05 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.93 2pgx n LEU 158 Cb 0.36 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.29 2pgx n LEU 158 CO 0.27 0.00 -0.61 0.41 -1.11 0.00 0.00 177.39 176.35 2pgx n THR 159 N -0.91 0.21 1.73 1.96 -1.04 -1.18 -4.51 114.28 110.53 2pgx n THR 159 Ca 0.08 -0.11 0.15 0.00 -2.04 0.00 0.00 64.05 62.13 2pgx n THR 159 Cb 0.03 -0.82 0.80 0.00 -1.82 0.00 0.00 70.33 68.52 2pgx n THR 159 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2pgx n ASP 160 N -2.28 0.29 -4.74 8.00 8.00 -0.94 -4.88 116.55 120.00 2pgx n ASP 160 Ca -0.05 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 2pgx n ASP 160 Cb 0.59 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 2pgx n ASP 160 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pgx s ILE 161 N -2.18 2.52 -0.15 0.53 -1.09 -1.02 -5.01 121.20 114.80 2pgx s ILE 161 Ca 0.40 0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 2pgx s ILE 161 Cb 0.21 -3.26 0.04 0.00 -1.58 0.00 0.00 42.46 37.87 2pgx s ILE 161 CO 0.40 0.05 0.40 0.28 -1.23 0.00 0.00 174.94 174.84 2pgx s THR 162 N 0.45 -0.00 0.62 2.92 -1.32 -1.26 -4.17 115.64 112.88 2pgx s THR 162 Ca 0.64 0.02 -0.16 0.00 -1.21 0.00 0.00 61.69 60.99 2pgx s THR 162 Cb -0.44 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2pgx s THR 162 CO 0.39 0.01 1.08 -2.16 -2.21 0.00 0.00 174.62 171.73 2pgx s PRO 163 N 0.42 3.09 0.24 7.08 0.04 -1.26 -5.09 135.00 139.51 2pgx s PRO 163 Ca -0.02 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 2pgx s PRO 163 Cb -0.04 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 2pgx s PRO 163 CO -0.02 -1.01 1.69 0.54 0.04 0.00 0.00 177.00 178.24 2pgx n ARG 164 N -2.17 2.77 -2.83 4.56 1.74 -1.26 -4.98 116.66 114.49 2pgx n ARG 164 Ca 0.10 1.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.84 2pgx n ARG 164 Cb 0.52 -2.83 -0.07 0.00 -1.02 0.00 0.00 32.46 29.07 2pgx n ARG 164 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2pgx s PRO 165 N 0.66 4.18 0.26 5.56 0.04 -1.26 -4.90 135.00 139.53 2pgx s PRO 165 Ca 0.72 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2pgx s PRO 165 Cb -0.50 -2.21 0.33 0.00 0.04 0.00 0.00 34.50 32.16 2pgx s PRO 165 CO 0.37 -0.02 1.63 1.96 0.04 0.00 0.00 177.00 180.98 2pgx h GLN 166 N 1.88 0.35 -5.37 4.56 7.50 -1.74 -2.60 115.11 119.69 2pgx h GLN 166 Ca -0.49 -0.19 -0.47 0.00 0.50 0.00 0.00 58.65 58.01 2pgx h GLN 166 Cb 1.18 0.01 -0.26 0.00 0.05 0.00 0.00 27.48 28.46 2pgx h GLN 166 CO 0.62 0.74 -0.80 0.08 -1.50 0.00 0.00 178.83 177.96 2pgx s VAL 167 N -4.10 1.16 -0.10 -0.54 1.01 -0.79 -1.14 120.40 115.90 2pgx s VAL 167 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2pgx s VAL 167 Cb 0.13 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2pgx s VAL 167 CO 0.80 0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 175.11 2pgx s VAL 168 N -0.69 1.84 -0.13 2.92 1.01 -0.58 -1.69 120.40 123.08 2pgx s VAL 168 Ca 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2pgx s VAL 168 Cb -0.07 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2pgx s VAL 168 CO 0.01 0.51 -0.05 -0.47 0.00 0.00 0.00 175.10 175.10 2pgx s TYR 169 N 0.56 2.99 -0.04 5.22 5.04 -0.25 -0.26 117.35 130.60 2pgx s TYR 169 Ca -0.15 -0.22 0.03 0.00 -2.44 0.00 0.00 57.07 54.30 2pgx s TYR 169 Cb -0.17 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.27 2pgx s TYR 169 CO 0.05 0.07 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.68 2pgx s LEU 170 N -0.00 1.83 -0.44 6.97 1.43 0.12 -2.25 118.68 126.35 2pgx s LEU 170 Ca 0.00 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 2pgx s LEU 170 Cb -0.13 -0.80 0.30 0.00 0.03 0.00 0.00 46.19 45.59 2pgx s LEU 170 CO 0.03 0.11 0.91 -0.67 0.23 0.00 0.00 176.35 176.95 2pgx n ASP 171 N 3.28 -1.39 0.00 2.29 2.03 -1.26 -0.82 116.55 120.68 2pgx n ASP 171 Ca -0.19 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 51.79 2pgx n ASP 171 Cb 0.53 0.99 0.00 0.00 -0.72 0.00 0.00 41.12 41.92 2pgx n ASP 171 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pgx n PRO 172 N 0.73 0.00 -3.69 -0.67 -0.04 -1.26 -4.91 135.00 125.15 2pgx n PRO 172 Ca 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2pgx n PRO 172 Cb 0.66 -0.05 -0.09 0.00 -0.04 0.00 0.00 33.50 33.98 2pgx n PRO 172 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2pgx s PHE 174 N 0.00 -0.52 -0.73 0.54 5.36 -1.26 -4.92 117.98 116.45 2pgx s PHE 174 Ca 0.00 1.19 -0.25 0.00 -0.96 0.00 0.00 56.93 56.91 2pgx s PHE 174 Cb 0.00 0.20 -0.14 0.00 -0.34 0.00 0.00 43.02 42.74 2pgx s PHE 174 CO 0.00 -0.32 2.41 -2.30 -1.46 0.00 0.00 175.22 173.54 2pgx n PRO 175 N 2.38 0.62 -3.72 10.12 -0.02 -1.26 -4.78 135.00 138.34 2pgx n PRO 175 Ca -0.15 -0.53 -0.20 0.00 -2.02 0.00 0.00 63.50 60.60 2pgx n PRO 175 Cb 0.56 -3.34 -0.02 0.00 -0.02 0.00 0.00 33.50 30.69 2pgx n PRO 175 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pgx s HIS 176 N 12.78 3.19 0.00 6.00 3.76 -1.26 -4.99 115.29 134.77 2pgx s HIS 176 Ca 0.99 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 2pgx s HIS 176 Cb -0.24 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.66 2pgx s HIS 176 CO 0.18 0.19 0.00 1.63 -0.85 0.00 0.00 174.74 175.90 2pgx n LYS 177 N -1.50 0.08 0.30 1.40 4.01 -1.26 -5.07 118.16 116.11 2pgx n LYS 177 Ca -0.04 0.00 0.16 0.00 -0.51 0.00 0.00 58.31 57.93 2pgx n LYS 177 Cb 0.58 -0.41 0.82 0.00 -0.51 0.00 0.00 35.03 35.51 2pgx n LYS 177 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 2pgx h GLN 178 N 0.00 0.00 0.00 1.97 4.20 -2.01 -3.54 115.11 115.73 2pgx h GLN 178 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pgx h GLN 178 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2pgx h GLN 178 CO 0.00 0.00 0.00 -0.11 -0.67 0.00 0.00 178.83 178.05 2pgx n LEU 182 N -3.05 0.00 0.07 1.46 7.94 -1.26 -5.19 117.00 116.97 2pgx n LEU 182 Ca -0.01 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.75 2pgx n LEU 182 Cb 0.40 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.21 2pgx n LEU 182 CO 0.16 0.00 -0.20 0.58 -1.11 0.00 0.00 177.39 176.82 2pgx h VAL 183 N 0.00 1.31 -5.39 1.96 2.07 -2.03 -3.45 116.25 110.72 2pgx h VAL 183 Ca 0.00 -2.95 -0.43 0.00 0.82 0.00 0.00 66.70 64.14 2pgx h VAL 183 Cb 0.00 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2pgx h VAL 183 CO 0.00 0.84 -0.20 0.29 0.02 0.00 0.00 177.57 178.51 2pgx n LYS 184 N -3.43 0.88 0.07 1.57 4.76 -1.26 -5.05 118.16 115.70 2pgx n LYS 184 Ca -0.12 -2.57 -0.20 0.00 -2.87 0.00 0.00 58.31 52.55 2pgx n LYS 184 Cb 1.02 0.27 -0.15 0.00 -1.84 0.00 0.00 35.03 34.34 2pgx n LYS 184 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2pgx h LYS 185 N 0.00 0.33 0.00 1.97 1.57 -1.91 -2.88 116.57 115.65 2pgx h LYS 185 Ca -0.26 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 2pgx h LYS 185 Cb 0.95 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2pgx h LYS 185 CO 0.41 1.22 0.00 0.39 -0.57 0.00 0.00 179.45 180.89 2pgx n GLU 186 N -3.52 0.00 0.00 3.15 4.71 -1.26 -2.32 120.64 121.40 2pgx n GLU 186 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 2pgx n GLU 186 Cb 1.06 -0.93 0.00 0.00 -1.01 0.00 0.00 31.44 30.56 2pgx n GLU 186 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2pgx n ARG 188 N 0.31 0.00 0.26 3.49 0.63 -1.09 -4.25 116.66 116.01 2pgx n ARG 188 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 2pgx n ARG 188 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2pgx n ARG 188 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2pgx h VAL 189 N 0.00 0.53 0.34 5.15 2.07 -1.75 -1.72 116.25 120.88 2pgx h VAL 189 Ca 0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2pgx h VAL 189 Cb 0.00 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2pgx h VAL 189 CO 0.00 0.02 -0.39 0.15 0.02 0.00 0.00 177.57 177.37 2pgx h PHE 190 N -0.71 -1.07 -0.62 1.57 3.04 -1.78 -1.86 116.94 115.51 2pgx h PHE 190 Ca -0.06 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.05 2pgx h PHE 190 Cb 0.52 0.42 -0.03 0.00 2.56 0.00 0.00 35.95 39.42 2pgx h PHE 190 CO -0.03 -0.53 0.43 1.96 -2.02 0.00 0.00 178.31 178.12 2pgx h GLN 191 N -0.77 0.12 0.00 1.11 4.20 -1.80 0.54 115.11 118.50 2pgx h GLN 191 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2pgx h GLN 191 Cb 0.71 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2pgx h GLN 191 CO -0.09 0.08 0.00 1.03 -0.67 0.00 0.00 178.83 179.18 2pgx h SER 192 N 0.12 0.00 0.00 1.46 0.87 -0.45 -3.26 113.55 112.29 2pgx h SER 192 Ca 0.30 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.70 2pgx h SER 192 Cb 1.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2pgx h SER 192 CO -0.04 0.00 -1.49 -0.11 -0.53 0.00 0.00 176.83 174.66 2pgx n LEU 193 N -2.69 1.85 -4.71 2.23 7.94 0.18 -4.97 117.00 116.84 2pgx n LEU 193 Ca -0.00 0.32 -0.40 0.00 -1.11 0.00 0.00 56.01 54.81 2pgx n LEU 193 Cb 0.17 -0.73 -0.05 0.00 0.53 0.00 0.00 43.42 43.34 2pgx n LEU 193 CO 0.20 0.01 0.40 -0.69 -1.11 0.00 0.00 177.39 176.20 2pgx s VAL 194 N -2.70 5.04 0.47 1.96 1.01 -0.43 -5.07 120.40 120.68 2pgx s VAL 194 Ca -0.30 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.15 2pgx s VAL 194 Cb 0.07 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.47 2pgx s VAL 194 CO 0.42 0.23 0.40 0.61 0.00 0.00 0.00 175.10 176.76 2pgx n GLY 195 N 3.18 2.67 3.69 4.51 0.00 -1.26 -4.58 105.19 113.40 2pgx n GLY 195 Ca -0.01 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 2pgx n GLY 195 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pgx n PRO 196 N -1.67 1.79 -2.62 1.61 -0.02 -1.26 -4.90 135.00 127.93 2pgx n PRO 196 Ca 0.00 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 2pgx n PRO 196 Cb 0.53 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2pgx n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pgx s ASP 197 N -0.64 6.16 0.57 2.55 1.01 -1.26 -4.89 116.67 120.18 2pgx s ASP 197 Ca 0.63 -0.58 0.27 0.00 0.71 0.00 0.00 52.55 53.59 2pgx s ASP 197 Cb -0.49 -2.53 1.55 0.00 1.01 0.00 0.00 42.92 42.46 2pgx s ASP 197 CO 0.56 -1.74 2.04 -0.07 0.21 0.00 0.00 175.17 176.17 2pgx h LEU 198 N 12.63 0.00 -3.37 1.23 3.38 -2.03 -1.99 115.31 125.17 2pgx h LEU 198 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2pgx h LEU 198 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2pgx h LEU 198 CO 1.26 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.89 2pgx n ASP 199 N -3.94 4.52 -0.23 -0.43 5.75 -1.26 -4.72 116.55 116.24 2pgx n ASP 199 Ca 0.04 -2.99 0.04 0.00 -0.01 0.00 0.00 54.79 51.87 2pgx n ASP 199 Cb 0.44 -0.59 0.16 0.00 -1.03 0.00 0.00 41.12 40.09 2pgx n ASP 199 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pgx h ALA 200 N 2.55 0.86 -0.31 2.12 0.00 -1.77 0.22 119.26 122.93 2pgx h ALA 200 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2pgx h ALA 200 Cb 1.63 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2pgx h ALA 200 CO 0.32 -0.33 0.31 -0.44 0.00 0.00 0.00 179.25 179.10 2pgx h ASP 201 N 0.25 0.00 0.43 0.00 3.32 -1.85 -0.16 116.42 118.42 2pgx h ASP 201 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2pgx h ASP 201 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2pgx h ASP 201 CO -0.49 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.64 2pgx n GLY 202 N -1.48 -1.12 0.10 2.75 0.00 0.07 -3.60 105.19 101.91 2pgx n GLY 202 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2pgx n GLY 202 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pgx h LEU 203 N 0.00 0.32 -0.17 0.99 4.07 -1.11 -3.39 115.31 116.03 2pgx h LEU 203 Ca 0.00 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 57.68 2pgx h LEU 203 Cb 0.22 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 2pgx h LEU 203 CO 0.00 1.26 -0.29 0.25 -1.08 0.00 0.00 178.44 178.57 2pgx h LEU 204 N 0.06 -0.92 0.11 1.67 5.85 -1.73 -1.94 115.31 118.40 2pgx h LEU 204 Ca -0.10 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2pgx h LEU 204 Cb 1.90 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 43.29 2pgx h LEU 204 CO 0.18 -0.33 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.53 2pgx h GLU 205 N -0.34 -0.54 0.00 1.25 4.57 -1.83 -0.59 114.58 117.10 2pgx h GLU 205 Ca 0.11 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2pgx h GLU 205 Cb 0.52 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2pgx h GLU 205 CO -0.37 -0.36 -0.17 -1.00 -1.18 0.00 0.00 179.01 175.93 2pgx h PRO 206 N -0.56 0.00 -0.16 0.92 0.13 -1.75 -2.71 132.00 127.86 2pgx h PRO 206 Ca 0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2pgx h PRO 206 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2pgx h PRO 206 CO -0.21 0.17 -0.03 0.00 -0.23 0.00 0.00 178.00 177.70 2pgx h ALA 207 N 1.83 0.22 0.00 -0.56 0.00 -0.72 -1.70 119.26 118.34 2pgx h ALA 207 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pgx h ALA 207 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pgx h ALA 207 CO 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 2pgx h ARG 208 N 0.02 0.00 0.11 0.00 3.08 -0.89 -0.85 114.38 115.84 2pgx h ARG 208 Ca 0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 2pgx h ARG 208 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 2pgx h ARG 208 CO 0.01 0.01 -1.01 -0.07 -1.07 0.00 0.00 179.97 177.84 2pgx h LEU 209 N 0.00 0.35 0.54 3.04 3.38 -1.29 -2.69 115.31 118.64 2pgx h LEU 209 Ca -0.00 -0.89 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 2pgx h LEU 209 Cb 0.25 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pgx h LEU 209 CO 0.00 1.45 -0.26 0.25 0.09 0.00 0.00 178.44 179.98 2pgx h LEU 210 N -0.45 -0.61 -9.84 1.67 5.85 -0.92 -3.41 115.31 107.60 2pgx h LEU 210 Ca -0.21 -0.05 -0.56 0.00 0.84 0.00 0.00 57.88 57.91 2pgx h LEU 210 Cb 1.60 0.16 0.11 0.00 0.37 0.00 0.00 40.66 42.90 2pgx h LEU 210 CO 0.07 -0.30 0.63 0.00 -0.34 0.00 0.00 178.44 178.51 2pgx n ALA 211 N -2.54 1.79 0.89 1.25 0.00 -0.36 -4.45 120.51 117.09 2pgx n ALA 211 Ca -0.11 0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.77 2pgx n ALA 211 Cb 0.33 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.34 2pgx n ALA 211 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pgx n THR 212 N 0.34 0.00 0.00 0.00 -2.24 -0.98 -0.26 114.28 111.15 2pgx n THR 212 Ca 0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2pgx n THR 212 Cb 0.37 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2pgx n THR 212 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pgx n LYS 213 N -1.59 0.00 -3.64 -0.78 5.02 -0.30 -3.20 118.16 113.68 2pgx n LYS 213 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2pgx n LYS 213 Cb 0.36 -0.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.87 2pgx n LYS 213 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pgx s ARG 214 N -1.82 0.90 -0.09 1.97 3.52 -0.64 -2.22 118.95 120.58 2pgx s ARG 214 Ca 0.00 -0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 2pgx s ARG 214 Cb 0.00 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.81 2pgx s ARG 214 CO 0.00 -0.29 -0.18 0.08 -0.81 0.00 0.00 175.30 174.10 2pgx s VAL 215 N -1.84 1.59 -0.13 7.11 1.01 0.39 -1.53 120.40 127.01 2pgx s VAL 215 Ca -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2pgx s VAL 215 Cb -0.02 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2pgx s VAL 215 CO 0.03 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.73 2pgx s VAL 216 N 0.59 2.65 -0.20 2.92 1.01 0.64 -0.73 120.40 127.28 2pgx s VAL 216 Ca -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2pgx s VAL 216 Cb -0.17 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2pgx s VAL 216 CO 0.05 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 2pgx s VAL 217 N 0.51 2.32 0.14 2.92 1.01 -0.05 0.13 120.40 127.38 2pgx s VAL 217 Ca -0.11 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 2pgx s VAL 217 Cb -0.16 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2pgx s VAL 217 CO 0.05 0.44 1.04 -0.75 0.00 0.00 0.00 175.10 175.88 2pgx s LYS 218 N 1.30 4.63 -0.03 2.72 2.20 -0.00 -0.47 119.74 130.10 2pgx s LYS 218 Ca 0.03 1.59 -0.00 0.00 -0.36 0.00 0.00 55.97 57.23 2pgx s LYS 218 Cb -0.14 -3.33 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2pgx s LYS 218 CO -0.10 0.12 0.03 1.03 -0.36 0.00 0.00 175.35 176.07 2pgx s ARG 219 N -0.10 0.04 0.76 4.03 1.81 0.91 -4.74 118.95 121.66 2pgx s ARG 219 Ca 0.49 0.19 -0.12 0.00 -1.72 0.00 0.00 55.73 54.57 2pgx s ARG 219 Cb -0.26 -0.35 0.05 0.00 -0.45 0.00 0.00 34.95 33.93 2pgx s ARG 219 CO 0.32 -0.19 1.12 -1.25 -0.68 0.00 0.00 175.30 174.62 2pgx s PRO 220 N 1.25 2.22 0.27 3.54 0.04 -1.26 -0.20 135.00 140.85 2pgx s PRO 220 Ca -0.07 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2pgx s PRO 220 Cb -0.13 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 2pgx s PRO 220 CO -0.03 -1.70 1.11 -0.25 0.04 0.00 0.00 177.00 176.17 2pgx n ASP 221 N -3.24 1.61 0.00 6.66 8.00 -0.81 -1.23 116.55 127.55 2pgx n ASP 221 Ca 0.10 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.78 2pgx n ASP 221 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 2pgx n ASP 221 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2pgx n TYR 222 N 0.61 0.00 -2.11 1.24 4.01 -1.26 -4.98 117.16 114.67 2pgx n TYR 222 Ca 0.10 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.45 2pgx n TYR 222 Cb 0.31 -0.38 -0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2pgx n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pgx s ALA 223 N -2.21 3.16 0.66 -0.72 0.00 -0.36 -4.98 121.76 117.30 2pgx s ALA 223 Ca 0.00 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 2pgx s ALA 223 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 2pgx s ALA 223 CO 0.00 -0.79 1.09 -2.14 0.00 0.00 0.00 175.76 173.92 2pgx s PRO 224 N -2.37 2.87 0.72 0.00 0.02 -1.26 -4.90 135.00 130.08 2pgx s PRO 224 Ca 0.59 1.29 -0.15 0.00 0.02 0.00 0.00 61.00 62.75 2pgx s PRO 224 Cb -0.35 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.23 2pgx s PRO 224 CO 0.45 -1.18 1.18 -1.25 -0.33 0.00 0.00 177.00 175.87 2pgx s PRO 225 N -4.25 2.27 0.29 5.54 0.04 -1.26 -4.89 135.00 132.73 2pgx s PRO 225 Ca 0.65 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2pgx s PRO 225 Cb -0.19 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2pgx s PRO 225 CO 0.43 -1.72 1.62 -1.17 0.04 0.00 0.00 177.00 176.20 2pgx s LEU 226 N -5.11 4.34 -1.10 -3.56 2.96 -1.26 -1.58 118.68 113.38 2pgx s LEU 226 Ca 0.73 2.96 0.00 0.00 -0.22 0.00 0.00 54.13 57.60 2pgx s LEU 226 Cb -0.27 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.79 2pgx s LEU 226 CO 0.45 -0.93 0.00 0.00 -1.32 0.00 0.00 176.35 174.54 2pgx n ALA 227 N 2.35 -0.16 -1.31 5.97 0.00 -1.26 -1.96 120.51 124.14 2pgx n ALA 227 Ca 0.09 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 2pgx n ALA 227 Cb 0.37 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 2pgx n ALA 227 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pgx n ASN 228 N -1.09 -5.13 -4.53 0.00 5.03 -0.61 -4.95 115.26 103.99 2pgx n ASN 228 Ca -0.10 0.27 -0.43 0.00 0.87 0.00 0.00 54.58 55.18 2pgx n ASN 228 Cb 0.58 -3.57 -0.04 0.00 -1.02 0.00 0.00 39.78 35.72 2pgx n ASN 228 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pgx s VAL 229 N -2.12 4.43 0.64 2.41 1.01 -0.83 -4.93 120.40 121.01 2pgx s VAL 229 Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 2pgx s VAL 229 Cb 0.00 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2pgx s VAL 229 CO 0.00 -1.05 1.10 0.00 0.00 0.00 0.00 175.10 175.15 2pgx s ALA 230 N 3.85 2.53 -0.18 5.51 0.00 -1.26 -4.62 121.76 127.59 2pgx s ALA 230 Ca 0.31 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2pgx s ALA 230 Cb -0.12 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.74 2pgx s ALA 230 CO 0.20 -1.17 0.46 -0.08 0.00 0.00 0.00 175.76 175.17 2pgx s THR 231 N -2.31 -0.01 -0.88 0.00 -1.32 -1.26 -5.04 115.64 104.82 2pgx s THR 231 Ca 0.67 0.03 0.26 0.00 -1.21 0.00 0.00 61.69 61.45 2pgx s THR 231 Cb -0.20 -0.66 0.25 0.00 -1.51 0.00 0.00 72.50 70.37 2pgx s THR 231 CO 0.40 0.01 1.82 -0.81 -2.21 0.00 0.00 174.62 173.84 2pgx n PRO 232 N 3.48 0.10 -3.79 7.08 -0.04 -1.26 -4.77 135.00 135.80 2pgx n PRO 232 Ca -0.18 0.12 -0.35 0.00 -0.04 0.00 0.00 63.50 63.05 2pgx n PRO 232 Cb 0.56 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 2pgx n PRO 232 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2pgx s ASN 233 N -3.58 5.92 -0.26 3.54 0.01 -1.26 -5.07 114.94 114.23 2pgx s ASN 233 Ca 0.12 0.11 -0.26 0.00 -0.71 0.00 0.00 52.86 52.12 2pgx s ASN 233 Cb 0.15 -2.04 0.11 0.00 0.41 0.00 0.00 41.25 39.88 2pgx s ASN 233 CO 0.52 0.12 0.98 0.00 -1.51 0.00 0.00 177.10 177.21 2pgx s ALA 234 N 0.70 -1.94 -0.29 0.60 0.00 -1.26 -1.30 121.76 118.27 2pgx s ALA 234 Ca 0.06 1.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.77 2pgx s ALA 234 Cb -0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2pgx s ALA 234 CO 0.01 -0.26 0.17 0.08 0.00 0.00 0.00 175.76 175.76 2pgx s VAL 235 N 0.08 4.96 0.10 0.00 1.01 -0.24 -4.90 120.40 121.41 2pgx s VAL 235 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2pgx s VAL 235 Cb -0.04 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 2pgx s VAL 235 CO -0.04 0.17 0.41 -0.69 0.00 0.00 0.00 175.10 174.95 2pgx s VAL 236 N 1.69 5.09 0.00 2.92 1.01 -1.26 -0.17 120.40 129.68 2pgx s VAL 236 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2pgx s VAL 236 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2pgx s VAL 236 CO 0.08 0.22 0.00 0.41 0.00 0.00 0.00 175.10 175.82 2pgx n THR 237 N 0.70 0.00 -2.79 3.92 -1.04 -0.24 -4.99 114.28 109.84 2pgx n THR 237 Ca -0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 2pgx n THR 237 Cb 0.52 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.99 2pgx n THR 237 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2pgx s LYS 238 N -1.12 3.56 0.00 -2.82 2.47 -1.26 -3.79 119.74 116.77 2pgx s LYS 238 Ca 0.00 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.62 2pgx s LYS 238 Cb 0.00 -3.92 0.00 0.00 -1.46 0.00 0.00 37.83 32.45 2pgx s LYS 238 CO 0.00 -1.24 0.00 0.41 0.16 0.00 0.00 175.35 174.68 2pgx n GLY 239 N 4.92 1.13 3.80 5.54 0.00 -1.26 -5.00 105.19 114.32 2pgx n GLY 239 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2pgx n GLY 239 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pgx s HIS 240 N -2.57 -0.04 0.19 1.61 -3.43 -1.25 -1.92 115.29 107.87 2pgx s HIS 240 Ca 0.00 -0.32 -0.02 0.00 -0.80 0.00 0.00 55.06 53.93 2pgx s HIS 240 Cb 0.00 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 2pgx s HIS 240 CO 0.00 -0.90 0.13 -0.98 -2.00 0.00 0.00 174.74 170.99 2pgx s ARG 241 N -2.84 1.17 -0.25 -0.38 1.70 0.72 -1.08 118.95 117.99 2pgx s ARG 241 Ca 0.16 -1.57 0.02 0.00 -0.47 0.00 0.00 55.73 53.86 2pgx s ARG 241 Cb -0.02 0.28 0.06 0.00 -0.57 0.00 0.00 34.95 34.70 2pgx s ARG 241 CO 0.04 -0.38 -0.07 -0.06 -1.08 0.00 0.00 175.30 173.75 2pgx s PHE 242 N -4.13 2.79 0.08 5.89 0.08 0.76 -0.06 117.98 123.39 2pgx s PHE 242 Ca 0.35 -2.05 -0.30 0.00 0.12 0.00 0.00 56.93 55.05 2pgx s PHE 242 Cb 0.07 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2pgx s PHE 242 CO 0.10 -0.83 1.02 -0.51 -0.10 0.00 0.00 175.22 174.90 2pgx s ASP 243 N 1.26 7.37 -0.15 1.36 1.01 0.38 -1.08 116.67 126.82 2pgx s ASP 243 Ca -0.06 1.82 -0.03 0.00 0.71 0.00 0.00 52.55 55.00 2pgx s ASP 243 Cb -0.19 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 2pgx s ASP 243 CO -0.06 -0.20 -0.07 -0.63 0.21 0.00 0.00 175.17 174.42 2pgx s ILE 244 N 0.43 3.59 0.12 0.77 1.01 -0.42 -0.87 121.20 125.82 2pgx s ILE 244 Ca 0.50 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.77 2pgx s ILE 244 Cb -0.24 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2pgx s ILE 244 CO 0.30 0.50 -0.20 -0.31 0.00 0.00 0.00 174.94 175.22 2pgx s TYR 245 N 0.44 1.79 0.42 3.97 1.51 0.09 -4.52 117.35 121.05 2pgx s TYR 245 Ca -0.06 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.34 2pgx s TYR 245 Cb -0.15 -0.96 -0.09 0.00 -0.11 0.00 0.00 41.96 40.65 2pgx s TYR 245 CO 0.03 0.23 1.04 0.00 -1.11 0.00 0.00 175.55 175.74 2pgx s ALA 246 N -1.38 3.03 0.20 3.71 0.00 -1.26 -0.46 121.76 125.60 2pgx s ALA 246 Ca 0.09 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2pgx s ALA 246 Cb -0.09 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2pgx s ALA 246 CO 0.05 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2pgx n GLY 247 N 0.14 1.46 2.77 0.00 0.00 -0.94 -4.62 105.19 103.99 2pgx n GLY 247 Ca 0.06 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2pgx n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pgx s THR 248 N 2.27 1.14 0.35 2.61 2.01 0.64 -4.86 115.64 119.80 2pgx s THR 248 Ca 0.00 -1.68 -0.25 0.00 0.31 0.00 0.00 61.69 60.07 2pgx s THR 248 Cb 0.00 -1.85 -0.14 0.00 0.01 0.00 0.00 72.50 70.52 2pgx s THR 248 CO 0.00 -0.69 0.72 -2.65 -0.69 0.00 0.00 174.62 171.30 2pgx n PRO 249 N 4.59 0.78 0.00 4.92 -0.02 -1.19 -4.26 135.00 139.82 2pgx n PRO 249 Ca 0.00 0.28 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 2pgx n PRO 249 Cb 0.41 -1.57 0.58 0.00 -0.02 0.00 0.00 33.50 32.90 2pgx n PRO 249 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81