#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9x n LEU 5 N 0.00 3.78 -0.01 0.00 4.77 -1.26 -4.79 117.00 119.49 1r9x n LEU 5 Ca 0.00 1.12 0.03 0.00 -0.03 0.00 0.00 56.01 57.12 1r9x n LEU 5 Cb 0.00 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 39.51 1r9x n LEU 5 CO 0.00 -0.06 -0.60 0.00 -1.33 0.00 0.00 177.39 175.39 1r9x n GLN 6 N 2.75 0.62 -3.67 3.23 6.02 0.93 -4.80 117.38 122.47 1r9x n GLN 6 Ca 0.12 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 56.91 1r9x n GLN 6 Cb 0.34 -1.17 -0.08 0.00 1.02 0.00 0.00 30.24 30.35 1r9x n GLN 6 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1r9x s THR 7 N -2.44 0.03 -0.19 5.09 2.01 -1.05 -0.35 115.64 118.74 1r9x s THR 7 Ca -0.03 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1r9x s THR 7 Cb 0.04 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 1r9x s THR 7 CO 0.29 -0.15 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.35 1r9x s ILE 8 N -1.23 3.06 0.32 1.82 -1.09 0.03 -0.60 121.20 123.51 1r9x s ILE 8 Ca -0.12 -0.61 0.10 0.00 -2.23 0.00 0.00 60.65 57.78 1r9x s ILE 8 Cb -0.03 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.44 1r9x s ILE 8 CO 0.06 0.47 -0.03 0.27 -1.23 0.00 0.00 174.94 174.48 1r9x s ILE 9 N 1.19 2.74 -1.39 2.92 -4.36 -0.49 -0.43 121.20 121.38 1r9x s ILE 9 Ca 0.02 -2.05 -0.06 0.00 -0.26 0.00 0.00 60.65 58.30 1r9x s ILE 9 Cb -0.14 -2.71 0.03 0.00 1.25 0.00 0.00 42.46 40.89 1r9x s ILE 9 CO -0.03 -0.27 0.85 0.59 0.24 0.00 0.00 174.94 176.32 1r9x n ASN 10 N -0.88 -2.92 -4.86 4.36 3.02 -1.17 -0.98 115.26 111.84 1r9x n ASN 10 Ca -0.05 -0.78 -0.37 0.00 -0.03 0.00 0.00 54.58 53.35 1r9x n ASN 10 Cb 0.61 -4.10 -0.06 0.00 -0.61 0.00 0.00 39.78 35.63 1r9x n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r9x s ALA 11 N -3.50 3.82 0.03 5.41 0.00 -0.39 -0.41 121.76 126.72 1r9x s ALA 11 Ca 0.29 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 1r9x s ALA 11 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1r9x s ALA 11 CO 0.81 0.54 0.23 1.03 0.00 0.00 0.00 175.76 178.38 1r9x s ARG 12 N -0.90 3.50 -0.03 0.00 0.52 -0.29 0.53 118.95 122.28 1r9x s ARG 12 Ca 0.17 -0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.16 1r9x s ARG 12 Cb -0.13 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1r9x s ARG 12 CO 0.06 0.63 -0.18 -0.51 0.02 0.00 0.00 175.30 175.32 1r9x s LEU 13 N -2.13 1.99 0.30 2.53 1.43 -1.26 -0.85 118.68 120.70 1r9x s LEU 13 Ca 0.31 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1r9x s LEU 13 Cb -0.13 -0.95 -0.12 0.00 0.03 0.00 0.00 46.19 45.02 1r9x s LEU 13 CO 0.21 0.20 1.39 -2.65 0.23 0.00 0.00 176.35 175.73 1r9x n PRO 14 N 2.83 2.22 -0.72 1.29 -0.02 -1.26 -1.65 135.00 137.69 1r9x n PRO 14 Ca -0.16 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1r9x n PRO 14 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1r9x n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r9x n GLY 15 N 1.43 1.00 3.50 -1.23 0.00 -1.26 -4.99 105.19 103.63 1r9x n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1r9x n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r9x s GLU 16 N -0.22 1.82 0.39 1.61 0.41 -0.66 -5.13 118.70 116.92 1r9x s GLU 16 Ca 0.00 -1.18 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 1r9x s GLU 16 Cb 0.00 -2.13 -0.02 0.00 -1.78 0.00 0.00 34.13 30.20 1r9x s GLU 16 CO 0.00 0.48 0.60 -1.21 -0.49 0.00 0.00 175.26 174.64 1r9x s GLU 17 N -2.19 3.34 1.94 1.61 2.02 -1.26 -4.57 118.70 119.59 1r9x s GLU 17 Ca 0.19 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1r9x s GLU 17 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1r9x s GLU 17 CO 0.11 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1r9x n GLY 18 N -1.91 -1.00 3.66 -1.39 0.00 -1.26 -4.92 105.19 98.38 1r9x n GLY 18 Ca -0.02 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 1r9x n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r9x s LEU 19 N 0.00 3.33 0.07 0.99 1.43 -1.26 -4.57 118.68 118.67 1r9x s LEU 19 Ca 0.00 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1r9x s LEU 19 Cb 0.00 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1r9x s LEU 19 CO 0.00 0.12 -0.08 0.26 0.23 0.00 0.00 176.35 176.88 1r9x s TRP 20 N -1.54 0.85 -0.12 0.29 0.52 0.19 -0.66 118.94 118.46 1r9x s TRP 20 Ca 0.26 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.74 1r9x s TRP 20 Cb -0.10 -0.49 -0.01 0.00 -1.15 0.00 0.00 33.47 31.72 1r9x s TRP 20 CO 0.18 -0.08 -0.17 -1.14 0.02 0.00 0.00 176.95 175.76 1r9x s GLN 21 N -2.53 3.28 -0.31 4.98 0.74 0.60 -1.27 119.66 125.15 1r9x s GLN 21 Ca 0.00 -0.75 -0.03 0.00 0.05 0.00 0.00 55.36 54.63 1r9x s GLN 21 Cb -0.04 -2.53 0.04 0.00 1.10 0.00 0.00 33.01 31.59 1r9x s GLN 21 CO -0.01 0.20 0.03 0.42 -0.55 0.00 0.00 175.29 175.38 1r9x s ILE 22 N 0.36 3.25 0.06 -2.34 1.01 0.43 -1.15 121.20 122.82 1r9x s ILE 22 Ca -0.13 -1.28 -0.26 0.00 0.00 0.00 0.00 60.65 58.98 1r9x s ILE 22 Cb -0.17 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1r9x s ILE 22 CO 0.07 -0.11 0.79 -1.00 0.00 0.00 0.00 174.94 174.68 1r9x s HIS 23 N 1.31 3.76 0.04 3.97 3.76 0.17 -0.79 115.29 127.51 1r9x s HIS 23 Ca -0.04 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 56.48 1r9x s HIS 23 Cb -0.19 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 1r9x s HIS 23 CO 0.00 0.29 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.45 1r9x s LEU 24 N -0.16 2.40 -0.27 0.89 1.43 0.52 -0.60 118.68 122.90 1r9x s LEU 24 Ca 0.39 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1r9x s LEU 24 Cb -0.21 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.68 1r9x s LEU 24 CO 0.24 0.26 0.64 -1.58 0.23 0.00 0.00 176.35 176.14 1r9x s GLN 25 N -1.32 0.64 -1.45 1.70 0.74 0.19 -4.69 119.66 115.47 1r9x s GLN 25 Ca 0.13 1.19 -0.10 0.00 0.05 0.00 0.00 55.36 56.63 1r9x s GLN 25 Cb -0.10 0.22 0.05 0.00 1.10 0.00 0.00 33.01 34.28 1r9x s GLN 25 CO 0.04 -0.16 1.00 -0.25 -0.55 0.00 0.00 175.29 175.36 1r9x n ASP 26 N 4.49 -4.58 0.00 6.67 8.00 -1.26 -1.51 116.55 128.36 1r9x n ASP 26 Ca -0.19 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1r9x n ASP 26 Cb 0.57 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 1r9x n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r9x n GLY 27 N -1.73 0.35 3.42 0.44 0.00 -1.26 -5.00 105.19 101.41 1r9x n GLY 27 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1r9x n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9x s LYS 28 N -0.67 1.54 -0.28 1.61 1.02 -0.57 -0.64 119.74 121.76 1r9x s LYS 28 Ca 0.00 -1.80 -0.24 0.00 0.02 0.00 0.00 55.97 53.95 1r9x s LYS 28 Cb 0.00 -1.00 -0.00 0.00 -0.52 0.00 0.00 37.83 36.31 1r9x s LYS 28 CO 0.00 -0.04 0.81 0.42 -0.92 0.00 0.00 175.35 175.62 1r9x s ILE 29 N -3.15 4.81 -0.06 2.17 1.01 0.12 -0.64 121.20 125.46 1r9x s ILE 29 Ca 0.31 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.39 1r9x s ILE 29 Cb 0.05 -4.13 -0.24 0.00 0.01 0.00 0.00 42.46 38.15 1r9x s ILE 29 CO 0.12 -0.17 0.60 0.77 0.00 0.00 0.00 174.94 176.27 1r9x h SER 30 N 7.91 0.14 -4.55 3.58 4.64 -1.16 0.11 113.55 124.22 1r9x h SER 30 Ca -0.24 -0.31 0.09 0.00 -0.47 0.00 0.00 61.79 60.87 1r9x h SER 30 Cb 1.09 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 62.97 1r9x h SER 30 CO 0.88 1.28 0.49 0.00 -0.87 0.00 0.00 176.83 178.60 1r9x s ALA 31 N -2.59 -1.84 -0.13 5.18 0.00 -1.20 -4.72 121.76 116.46 1r9x s ALA 31 Ca -0.10 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1r9x s ALA 31 Cb 0.08 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1r9x s ALA 31 CO 0.81 -0.59 -0.05 0.42 0.00 0.00 0.00 175.76 176.35 1r9x s ILE 32 N -2.61 0.91 0.02 0.00 1.01 -1.26 -0.65 121.20 118.62 1r9x s ILE 32 Ca 0.03 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1r9x s ILE 32 Cb -0.01 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1r9x s ILE 32 CO -0.06 0.23 -0.23 -1.81 0.00 0.00 0.00 174.94 173.08 1r9x s ASP 33 N 1.74 2.71 0.49 3.58 1.01 -0.30 -4.98 116.67 120.93 1r9x s ASP 33 Ca 0.03 -0.49 -0.19 0.00 0.71 0.00 0.00 52.55 52.61 1r9x s ASP 33 Cb -0.14 -0.26 -0.08 0.00 1.01 0.00 0.00 42.92 43.45 1r9x s ASP 33 CO -0.08 0.24 1.02 0.00 0.21 0.00 0.00 175.17 176.56 1r9x s ALA 34 N -0.68 2.90 0.15 5.23 0.00 -1.26 -0.29 121.76 127.81 1r9x s ALA 34 Ca 0.09 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1r9x s ALA 34 Cb -0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1r9x s ALA 34 CO 0.01 -0.29 -0.04 -0.65 0.00 0.00 0.00 175.76 174.78 1r9x s GLN 35 N -3.44 2.29 0.00 0.00 -0.21 0.16 -4.81 119.66 113.65 1r9x s GLN 35 Ca 0.65 -1.09 0.22 0.00 0.02 0.00 0.00 55.36 55.16 1r9x s GLN 35 Cb -0.14 -2.33 0.13 0.00 1.00 0.00 0.00 33.01 31.67 1r9x s GLN 35 CO 0.22 0.47 1.16 -1.13 -2.12 0.00 0.00 175.29 173.89 1r9x n SER 36 N 0.18 2.61 -0.96 5.90 3.41 -1.26 -4.33 113.62 119.17 1r9x n SER 36 Ca -0.11 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1r9x n SER 36 Cb 0.54 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1r9x n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r9x n GLY 37 N 1.28 1.21 3.72 5.00 0.00 -1.26 -5.06 105.19 110.08 1r9x n GLY 37 Ca 0.12 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1r9x n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9x s VAL 38 N -2.49 4.79 0.18 1.61 1.01 -1.26 -4.92 120.40 119.31 1r9x s VAL 38 Ca 0.00 2.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.88 1r9x s VAL 38 Cb 0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 1r9x s VAL 38 CO 0.00 0.21 0.53 -0.04 0.00 0.00 0.00 175.10 175.80 1r9x s MET 39 N 0.71 3.85 0.45 2.72 -1.94 -1.26 -5.07 119.30 118.76 1r9x s MET 39 Ca 0.49 0.33 -0.21 0.00 -1.71 0.00 0.00 55.69 54.59 1r9x s MET 39 Cb -0.21 -2.79 -0.09 0.00 2.01 0.00 0.00 34.83 33.74 1r9x s MET 39 CO 0.28 0.40 1.01 -1.25 -0.01 0.00 0.00 175.02 175.45 1r9x s PRO 40 N -2.41 4.02 0.77 2.03 0.04 -1.26 -4.90 135.00 133.28 1r9x s PRO 40 Ca 0.42 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1r9x s PRO 40 Cb -0.13 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1r9x s PRO 40 CO 0.20 -0.24 1.11 -1.50 0.04 0.00 0.00 177.00 176.61 1r9x s ILE 41 N -1.95 3.01 0.08 0.56 1.10 -1.26 -5.07 121.20 117.67 1r9x s ILE 41 Ca 0.63 0.33 -0.27 0.00 -0.51 0.00 0.00 60.65 60.83 1r9x s ILE 41 Cb -0.16 -3.22 0.09 0.00 0.15 0.00 0.00 42.46 39.33 1r9x s ILE 41 CO 0.20 -0.43 1.13 0.28 -2.11 0.00 0.00 174.94 174.01 1r9x s THR 42 N -3.31 0.00 0.29 4.00 -1.32 -1.26 -5.08 115.64 108.96 1r9x s THR 42 Ca 0.60 -0.43 -0.30 0.00 -1.21 0.00 0.00 61.69 60.35 1r9x s THR 42 Cb -0.13 -2.29 -0.12 0.00 -1.51 0.00 0.00 72.50 68.46 1r9x s THR 42 CO 0.52 0.00 1.58 -0.62 -2.21 0.00 0.00 174.62 173.89 1r9x n GLU 43 N -0.58 2.66 -0.99 7.08 4.71 -1.26 -1.83 120.64 130.44 1r9x n GLU 43 Ca -0.05 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.04 1r9x n GLU 43 Cb 0.61 -2.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.32 1r9x n GLU 43 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1r9x n ASN 44 N 2.08 -2.74 -4.39 1.62 5.03 -1.26 -4.94 115.26 110.65 1r9x n ASN 44 Ca 0.08 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.21 1r9x n ASN 44 Cb 0.36 -0.79 -0.14 0.00 -1.02 0.00 0.00 39.78 38.20 1r9x n ASN 44 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1r9x s SER 45 N -2.17 4.00 -0.27 6.41 0.01 -0.76 -0.05 113.70 120.87 1r9x s SER 45 Ca 0.00 -0.30 -0.09 0.00 1.31 0.00 0.00 55.95 56.87 1r9x s SER 45 Cb 0.00 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 1r9x s SER 45 CO 0.00 0.21 0.13 -0.22 0.41 0.00 0.00 173.24 173.77 1r9x s LEU 46 N 0.08 3.76 -0.37 2.44 2.96 0.24 -4.63 118.68 123.14 1r9x s LEU 46 Ca -0.06 -0.12 -0.23 0.00 -0.22 0.00 0.00 54.13 53.51 1r9x s LEU 46 Cb -0.15 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1r9x s LEU 46 CO 0.04 -0.05 0.78 -0.62 -1.32 0.00 0.00 176.35 175.18 1r9x s ASP 47 N 1.69 6.53 0.00 3.68 -1.08 -1.26 -1.39 116.67 124.83 1r9x s ASP 47 Ca 0.07 0.29 0.23 0.00 -0.52 0.00 0.00 52.55 52.62 1r9x s ASP 47 Cb -0.16 -2.39 1.04 0.00 -1.46 0.00 0.00 42.92 39.95 1r9x s ASP 47 CO 0.07 -0.75 1.74 0.00 0.52 0.00 0.00 175.17 176.76 1r9x n ALA 48 N 6.44 2.09 -4.09 3.66 0.00 -0.15 -4.91 120.51 123.55 1r9x n ALA 48 Ca 0.03 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1r9x n ALA 48 Cb 0.48 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1r9x n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r9x n GLU 49 N -1.43 -3.28 -1.64 0.00 1.02 -1.25 -0.17 120.64 113.90 1r9x n GLU 49 Ca 0.07 0.39 -0.16 0.00 -0.02 0.00 0.00 57.16 57.45 1r9x n GLU 49 Cb 0.24 -4.80 -0.05 0.00 -0.02 0.00 0.00 31.44 26.80 1r9x n GLU 49 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1r9x n GLN 50 N -4.42 -1.13 -2.35 3.49 6.02 0.45 -4.99 117.38 114.45 1r9x n GLN 50 Ca -0.12 0.99 -0.26 0.00 -0.01 0.00 0.00 57.00 57.61 1r9x n GLN 50 Cb 0.59 -5.21 0.13 0.00 1.02 0.00 0.00 30.24 26.77 1r9x n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1r9x s GLY 51 N -2.72 1.76 -0.09 1.08 0.00 0.76 -4.64 107.32 103.48 1r9x s GLY 51 Ca 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.05 1r9x s GLY 51 CO 0.00 -0.88 0.46 -2.27 0.00 0.00 0.00 173.10 170.41 1r9x s LEU 52 N -5.39 4.32 -0.16 0.66 2.96 -0.17 -1.14 118.68 119.77 1r9x s LEU 52 Ca 0.68 0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1r9x s LEU 52 Cb -0.05 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 1r9x s LEU 52 CO 0.47 0.08 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.81 1r9x s VAL 53 N 0.23 3.43 0.08 1.68 1.01 -0.03 -0.78 120.40 126.02 1r9x s VAL 53 Ca 0.25 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1r9x s VAL 53 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1r9x s VAL 53 CO 0.11 0.49 0.02 0.27 0.00 0.00 0.00 175.10 175.98 1r9x s ILE 54 N 0.65 0.18 1.01 2.22 -4.36 -0.79 -4.56 121.20 115.54 1r9x s ILE 54 Ca -0.04 -1.78 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 1r9x s ILE 54 Cb -0.15 -1.65 0.19 0.00 1.25 0.00 0.00 42.46 42.10 1r9x s ILE 54 CO 0.02 -0.82 1.08 -2.16 0.24 0.00 0.00 174.94 173.31 1r9x s PRO 55 N -3.95 0.35 0.64 0.37 0.04 -1.26 -0.67 135.00 130.52 1r9x s PRO 55 Ca 0.12 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 1r9x s PRO 55 Cb 0.08 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 1r9x s PRO 55 CO -0.07 -2.88 1.00 -2.30 0.04 0.00 0.00 177.00 172.80 1r9x n PRO 56 N -4.33 0.82 -1.56 0.56 -0.02 -1.26 -4.53 135.00 124.68 1r9x n PRO 56 Ca 0.06 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 1r9x n PRO 56 Cb 0.55 -2.22 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1r9x n PRO 56 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1r9x s PHE 57 N -1.56 2.44 0.01 6.00 2.99 -0.28 -4.76 117.98 122.82 1r9x s PHE 57 Ca 0.77 1.58 0.05 0.00 0.00 0.00 0.00 56.93 59.33 1r9x s PHE 57 Cb -0.39 -3.23 -0.02 0.00 0.00 0.00 0.00 43.02 39.38 1r9x s PHE 57 CO 0.46 -1.96 -0.16 0.08 -0.00 0.00 0.00 175.22 173.64 1r9x s VAL 58 N -2.36 1.28 -0.48 -0.44 1.01 -0.85 -2.51 120.40 116.06 1r9x s VAL 58 Ca 0.68 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1r9x s VAL 58 Cb -0.22 -1.10 0.13 0.00 0.00 0.00 0.00 36.38 35.18 1r9x s VAL 58 CO 0.45 0.21 0.27 -0.70 0.00 0.00 0.00 175.10 175.34 1r9x s GLU 59 N -0.77 2.15 0.09 2.72 2.56 -0.03 -4.83 118.70 120.59 1r9x s GLU 59 Ca 0.05 -2.07 0.25 0.00 0.00 0.00 0.00 54.97 53.21 1r9x s GLU 59 Cb -0.07 -3.61 0.98 0.00 2.00 0.00 0.00 34.13 33.43 1r9x s GLU 59 CO 0.00 -1.10 1.78 -0.35 -0.56 0.00 0.00 175.26 175.04 1r9x n PRO 60 N 4.20 0.10 -3.25 4.30 -0.04 -1.26 -0.57 135.00 138.48 1r9x n PRO 60 Ca 0.01 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1r9x n PRO 60 Cb 0.40 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1r9x n PRO 60 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1r9x s HIS 61 N -3.07 -1.28 0.08 0.54 5.65 -1.24 -4.53 115.29 111.43 1r9x s HIS 61 Ca 0.11 0.85 -0.08 0.00 0.25 0.00 0.00 55.06 56.19 1r9x s HIS 61 Cb 0.14 0.12 -0.01 0.00 -1.18 0.00 0.00 32.58 31.65 1r9x s HIS 61 CO 0.49 -0.94 0.16 -1.50 -0.65 0.00 0.00 174.74 172.30 1r9x s ILE 62 N 2.67 0.15 -0.55 0.89 2.07 -0.87 0.17 121.20 125.72 1r9x s ILE 62 Ca 0.12 -1.23 0.00 0.00 -1.41 0.00 0.00 60.65 58.14 1r9x s ILE 62 Cb -0.13 -1.30 0.14 0.00 0.13 0.00 0.00 42.46 41.31 1r9x s ILE 62 CO -0.25 -0.68 0.33 -1.00 -1.91 0.00 0.00 174.94 171.44 1r9x s HIS 63 N -3.68 3.36 -0.80 3.50 3.76 -0.33 -0.75 115.29 120.35 1r9x s HIS 63 Ca 0.04 -2.90 0.22 0.00 -0.15 0.00 0.00 55.06 52.28 1r9x s HIS 63 Cb 0.04 -3.04 0.89 0.00 1.11 0.00 0.00 32.58 31.59 1r9x s HIS 63 CO -0.10 -0.82 1.70 1.28 -0.85 0.00 0.00 174.74 175.95 1r9x n LEU 64 N 3.45 0.35 0.21 0.89 4.77 -1.26 -2.55 117.00 122.87 1r9x n LEU 64 Ca 0.06 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 1r9x n LEU 64 Cb 0.36 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1r9x n LEU 64 CO 0.33 -0.27 0.76 -2.24 -1.33 0.00 0.00 177.39 174.64 1r9x h ASP 65 N 0.00 0.00 -0.00 -1.43 -0.00 -1.92 -3.32 116.42 109.75 1r9x h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1r9x h ASP 65 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.76 1r9x h ASP 65 CO 0.00 0.09 -0.46 0.35 -0.00 0.00 0.00 179.24 179.22 1r9x n THR 66 N -3.12 0.00 -1.73 1.15 -2.24 -1.14 -4.95 114.28 102.25 1r9x n THR 66 Ca 0.03 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.17 1r9x n THR 66 Cb 0.55 1.03 0.07 0.00 -2.10 0.00 0.00 70.33 69.88 1r9x n THR 66 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1r9x n THR 67 N -1.01 4.86 -1.15 4.28 5.66 -1.06 -3.48 114.28 122.37 1r9x n THR 67 Ca 0.03 -0.50 -0.05 0.00 -3.05 0.00 0.00 64.05 60.48 1r9x n THR 67 Cb 0.19 -1.51 -0.02 0.00 -1.55 0.00 0.00 70.33 67.44 1r9x n THR 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r9x n GLN 68 N -1.81 -0.88 0.00 1.09 1.13 -0.82 -4.76 117.38 111.32 1r9x n GLN 68 Ca 0.15 0.55 0.10 0.00 -1.94 0.00 0.00 57.00 55.87 1r9x n GLN 68 Cb 0.48 -4.41 0.07 0.00 0.11 0.00 0.00 30.24 26.49 1r9x n GLN 68 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1r9x n THR 69 N -2.59 0.00 -1.67 5.09 -2.24 -0.70 -4.96 114.28 107.21 1r9x n THR 69 Ca -0.05 -0.46 -0.45 0.00 -2.27 0.00 0.00 64.05 60.82 1r9x n THR 69 Cb 0.30 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1r9x n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9x n ALA 70 N 0.95 1.15 -0.92 6.98 0.00 -0.54 -1.61 120.51 126.51 1r9x n ALA 70 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1r9x n ALA 70 Cb 0.51 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1r9x n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9x n GLY 71 N 2.27 0.75 3.12 0.00 0.00 -1.22 -4.97 105.19 105.15 1r9x n GLY 71 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1r9x n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r9x s GLN 72 N -0.08 2.43 0.25 1.61 -0.21 -0.64 -3.01 119.66 120.02 1r9x s GLN 72 Ca 0.00 -1.23 0.24 0.00 0.02 0.00 0.00 55.36 54.38 1r9x s GLN 72 Cb 0.00 -2.95 0.36 0.00 1.00 0.00 0.00 33.01 31.42 1r9x s GLN 72 CO 0.00 -0.53 1.44 -1.00 -2.12 0.00 0.00 175.29 173.08 1r9x h PRO 73 N 7.88 0.00 -5.62 2.91 0.13 -1.81 -3.40 132.00 132.08 1r9x h PRO 73 Ca -0.24 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.43 1r9x h PRO 73 Cb 1.06 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 1r9x h PRO 73 CO 0.51 0.00 -0.74 -0.80 -0.23 0.00 0.00 178.00 176.74 1r9x s ASN 74 N -5.14 2.66 0.31 1.44 0.01 -1.16 -5.15 114.94 107.91 1r9x s ASN 74 Ca 0.06 -1.02 -0.10 0.00 -0.71 0.00 0.00 52.86 51.09 1r9x s ASN 74 Cb 0.10 -0.15 -0.07 0.00 0.41 0.00 0.00 41.25 41.54 1r9x s ASN 74 CO 0.70 -0.15 0.65 0.26 -1.51 0.00 0.00 177.10 177.05 1r9x s TRP 75 N -2.93 3.43 -0.61 2.20 0.52 -1.26 -3.38 118.94 116.90 1r9x s TRP 75 Ca 0.23 0.95 -0.26 0.00 0.02 0.00 0.00 56.10 57.04 1r9x s TRP 75 Cb -0.01 -2.34 0.04 0.00 -1.15 0.00 0.00 33.47 30.00 1r9x s TRP 75 CO 0.07 0.11 1.13 1.21 0.02 0.00 0.00 176.95 179.49 1r9x s ASN 76 N -2.71 6.34 0.08 2.95 3.84 -1.26 -4.88 114.94 119.29 1r9x s ASN 76 Ca 0.49 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.35 1r9x s ASN 76 Cb -0.11 -2.51 -0.26 0.00 -0.55 0.00 0.00 41.25 37.82 1r9x s ASN 76 CO 0.25 -1.49 1.15 1.56 -2.79 0.00 0.00 177.10 175.78 1r9x h GLN 77 N 9.59 0.17 0.00 0.43 1.08 -1.96 -3.32 115.11 121.11 1r9x h GLN 77 Ca -0.26 -0.29 -0.19 0.00 -1.45 0.00 0.00 58.65 56.46 1r9x h GLN 77 Cb 1.06 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 1r9x h GLN 77 CO 1.18 1.12 -0.91 0.66 -0.95 0.00 0.00 178.83 179.93 1r9x h SER 78 N 0.05 0.00 0.00 1.46 4.64 -1.99 -3.47 113.55 114.23 1r9x h SER 78 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1r9x h SER 78 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1r9x h SER 78 CO 0.17 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 1r9x n GLY 79 N 1.25 0.55 3.91 -0.77 0.00 -1.25 -5.04 105.19 103.84 1r9x n GLY 79 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1r9x n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r9x s THR 80 N -2.05 4.94 0.13 2.61 -4.23 -1.26 -4.98 115.64 110.79 1r9x s THR 80 Ca 0.00 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.45 1r9x s THR 80 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1r9x s THR 80 CO 0.00 -0.76 1.76 0.25 -0.54 0.00 0.00 174.62 175.33 1r9x h LEU 81 N 0.43 0.37 -0.26 4.79 5.85 -1.93 -1.57 115.31 122.98 1r9x h LEU 81 Ca -0.47 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.26 1r9x h LEU 81 Cb 1.20 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1r9x h LEU 81 CO 0.62 0.31 -0.16 0.15 -0.34 0.00 0.00 178.44 179.02 1r9x h PHE 82 N 0.39 -0.39 -0.08 1.25 3.57 -1.99 -0.93 116.94 118.75 1r9x h PHE 82 Ca 0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1r9x h PHE 82 Cb 0.01 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1r9x h PHE 82 CO -0.04 -0.23 -0.28 1.49 -2.23 0.00 0.00 178.31 177.01 1r9x h GLU 83 N -0.13 0.15 -0.92 1.11 4.81 -1.93 -2.66 114.58 115.01 1r9x h GLU 83 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1r9x h GLU 83 Cb 0.35 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1r9x h GLU 83 CO -0.35 0.42 0.57 0.78 -0.73 0.00 0.00 179.01 179.71 1r9x h GLY 84 N 0.97 1.31 0.98 1.92 0.00 -0.16 0.90 103.07 108.99 1r9x h GLY 84 Ca 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1r9x h GLY 84 CO 0.04 0.51 0.23 -2.22 0.00 0.00 0.00 176.54 175.10 1r9x h ILE 85 N 1.25 1.21 -0.44 2.60 2.04 -0.98 -1.03 117.51 122.18 1r9x h ILE 85 Ca 0.33 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1r9x h ILE 85 Cb -0.09 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1r9x h ILE 85 CO -0.07 0.25 0.11 -0.33 0.00 0.00 0.00 178.15 178.12 1r9x h GLU 86 N 0.73 0.69 -0.44 2.37 5.08 -1.17 -1.54 114.58 120.30 1r9x h GLU 86 Ca 0.18 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1r9x h GLU 86 Cb 0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1r9x h GLU 86 CO -0.02 0.69 0.02 0.00 -1.00 0.00 0.00 179.01 178.71 1r9x h ARG 87 N 0.57 0.71 -0.45 2.33 2.47 -0.65 -2.44 114.38 116.92 1r9x h ARG 87 Ca 0.14 -0.17 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 1r9x h ARG 87 Cb 0.31 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1r9x h ARG 87 CO 0.00 0.71 -0.18 2.35 0.56 0.00 0.00 179.97 183.41 1r9x h TRP 88 N 0.67 1.05 0.00 3.04 2.91 -1.00 -2.81 115.95 119.81 1r9x h TRP 88 Ca 0.14 -0.25 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 1r9x h TRP 88 Cb 0.38 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1r9x h TRP 88 CO 0.02 1.04 -0.06 0.00 -1.03 0.00 0.00 178.44 178.41 1r9x h ALA 89 N 0.85 1.67 0.00 2.65 0.00 -0.91 -1.33 119.26 122.20 1r9x h ALA 89 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r9x h ALA 89 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1r9x h ALA 89 CO 0.06 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.77 1r9x n GLU 90 N -4.13 0.09 -0.18 0.00 1.02 -0.95 -2.79 120.64 113.70 1r9x n GLU 90 Ca -0.03 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1r9x n GLU 90 Cb 0.14 -1.64 0.20 0.00 -0.02 0.00 0.00 31.44 30.13 1r9x n GLU 90 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1r9x n ARG 91 N -1.81 2.41 -0.30 3.49 0.63 -0.50 -4.61 116.66 115.97 1r9x n ARG 91 Ca 0.05 -2.21 0.03 0.00 -0.92 0.00 0.00 57.85 54.79 1r9x n ARG 91 Cb 0.29 -1.47 0.10 0.00 0.45 0.00 0.00 32.46 31.83 1r9x n ARG 91 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1r9x h LYS 92 N 4.11 -0.01 -0.12 -0.14 1.63 -1.55 0.39 116.57 120.88 1r9x h LYS 92 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1r9x h LYS 92 Cb 0.93 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1r9x h LYS 92 CO 0.00 -0.01 0.18 0.00 -3.45 0.00 0.00 179.45 176.17 1r9x h ALA 93 N 1.78 1.60 0.00 5.00 0.00 -1.87 -1.34 119.26 124.43 1r9x h ALA 93 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1r9x h ALA 93 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1r9x h ALA 93 CO -0.87 -0.24 -0.57 1.28 0.00 0.00 0.00 179.25 178.85 1r9x n LEU 94 N -3.56 0.56 -4.55 0.00 7.99 0.12 -4.80 117.00 112.76 1r9x n LEU 94 Ca 0.00 -0.05 -0.38 0.00 -0.01 0.00 0.00 56.01 55.57 1r9x n LEU 94 Cb 0.28 -0.22 -0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1r9x n LEU 94 CO 0.24 0.13 1.38 -0.22 -1.51 0.00 0.00 177.39 177.41 1r9x s LEU 95 N -3.06 3.27 0.35 2.23 1.98 -0.51 -4.71 118.68 118.23 1r9x s LEU 95 Ca 0.10 -0.53 0.03 0.00 -2.89 0.00 0.00 54.13 50.85 1r9x s LEU 95 Cb 0.17 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.42 1r9x s LEU 95 CO 0.72 -2.03 0.10 0.42 -1.89 0.00 0.00 176.35 173.67 1r9x s THR 96 N 7.03 0.80 0.10 3.68 -4.23 -1.26 -5.02 115.64 116.74 1r9x s THR 96 Ca 0.51 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.71 1r9x s THR 96 Cb -0.07 -2.57 -0.12 0.00 1.34 0.00 0.00 72.50 71.08 1r9x s THR 96 CO 0.08 0.00 1.60 -0.74 -0.54 0.00 0.00 174.62 175.02 1r9x h HIS 97 N 2.03 -1.07 -0.45 3.99 2.76 -1.92 -1.54 115.15 118.95 1r9x h HIS 97 Ca -0.38 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.80 1r9x h HIS 97 Cb 1.26 0.43 -0.02 0.00 1.55 0.00 0.00 27.41 30.63 1r9x h HIS 97 CO 0.97 -0.51 0.22 -0.44 -1.30 0.00 0.00 177.93 176.86 1r9x h ASP 98 N -0.71 0.55 -0.41 3.26 3.45 -1.97 -2.17 116.42 118.43 1r9x h ASP 98 Ca -0.00 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.37 1r9x h ASP 98 Cb 0.68 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 1r9x h ASP 98 CO -0.14 0.47 0.08 -0.78 -1.57 0.00 0.00 179.24 177.29 1r9x h ASP 99 N 0.62 0.64 -0.49 6.45 3.58 -1.74 -0.64 116.42 124.84 1r9x h ASP 99 Ca 0.16 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1r9x h ASP 99 Cb 0.06 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1r9x h ASP 99 CO -0.02 0.73 0.17 0.58 -2.88 0.00 0.00 179.24 177.82 1r9x h VAL 100 N 0.52 1.22 -0.67 2.25 2.07 -0.98 -1.97 116.25 118.70 1r9x h VAL 100 Ca 0.12 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1r9x h VAL 100 Cb 0.35 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1r9x h VAL 100 CO 0.01 0.26 0.22 0.11 0.02 0.00 0.00 177.57 178.19 1r9x h LYS 101 N 0.65 1.03 -0.09 1.57 1.57 -1.26 -0.87 116.57 119.16 1r9x h LYS 101 Ca 0.16 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1r9x h LYS 101 Cb 0.24 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1r9x h LYS 101 CO -0.01 0.89 0.04 0.37 -0.57 0.00 0.00 179.45 180.17 1r9x h GLN 102 N 0.96 0.13 -0.37 3.15 -0.00 -0.93 -1.17 115.11 116.88 1r9x h GLN 102 Ca 0.22 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.75 1r9x h GLN 102 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 1r9x h GLN 102 CO -0.01 0.22 -0.13 0.00 0.00 0.00 0.00 178.83 178.91 1r9x h ARG 103 N 0.01 0.74 -0.48 1.69 3.08 -1.30 -1.89 114.38 116.23 1r9x h ARG 103 Ca 0.03 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.79 1r9x h ARG 103 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1r9x h ARG 103 CO -0.00 0.91 0.31 0.00 -1.07 0.00 0.00 179.97 180.11 1r9x h ALA 104 N 0.81 0.61 -0.44 0.04 0.00 -1.13 -2.11 119.26 117.05 1r9x h ALA 104 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r9x h ALA 104 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1r9x h ALA 104 CO 0.04 0.03 0.13 -1.49 0.00 0.00 0.00 179.25 177.96 1r9x h TRP 105 N 0.62 0.65 -0.33 0.00 4.06 -1.10 0.01 115.95 119.87 1r9x h TRP 105 Ca 0.18 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.08 1r9x h TRP 105 Cb -0.04 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.91 1r9x h TRP 105 CO -0.05 0.54 0.16 0.37 -3.56 0.00 0.00 178.44 175.91 1r9x h GLN 106 N 0.63 0.47 -0.27 0.49 5.75 -0.68 -0.24 115.11 121.27 1r9x h GLN 106 Ca 0.15 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.43 1r9x h GLN 106 Cb 0.20 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1r9x h GLN 106 CO -0.01 0.43 -0.46 1.15 -2.65 0.00 0.00 178.83 177.29 1r9x h THR 107 N 0.40 1.30 -0.62 2.39 2.02 -1.20 -2.79 112.91 114.40 1r9x h THR 107 Ca 0.11 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 1r9x h THR 107 Cb 0.11 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1r9x h THR 107 CO -0.02 0.53 0.38 -0.07 0.37 0.00 0.00 175.52 176.71 1r9x h LEU 108 N 0.55 0.74 -0.80 2.58 3.38 -0.69 -0.19 115.31 120.89 1r9x h LEU 108 Ca 0.03 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1r9x h LEU 108 Cb 1.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1r9x h LEU 108 CO 0.09 0.57 -0.06 0.11 0.09 0.00 0.00 178.44 179.24 1r9x h LYS 109 N 0.86 0.84 -0.71 1.13 1.57 -0.83 0.02 116.57 119.44 1r9x h LYS 109 Ca 0.23 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1r9x h LYS 109 Cb -0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1r9x h LYS 109 CO -0.04 0.88 0.21 -1.49 -0.57 0.00 0.00 179.45 178.44 1r9x h TRP 110 N 0.77 1.15 -0.61 -1.35 4.06 -1.03 -1.36 115.95 117.57 1r9x h TRP 110 Ca 0.14 -0.12 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 1r9x h TRP 110 Cb 0.55 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 1r9x h TRP 110 CO 0.03 0.92 0.10 1.96 -3.56 0.00 0.00 178.44 177.88 1r9x h GLN 111 N 1.06 1.02 -0.51 0.49 4.20 -0.47 -1.04 115.11 119.87 1r9x h GLN 111 Ca 0.23 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1r9x h GLN 111 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1r9x h GLN 111 CO -0.01 0.96 0.27 0.82 -0.67 0.00 0.00 178.83 180.20 1r9x h ILE 112 N 0.93 1.18 0.00 2.54 2.04 -0.73 -0.55 117.51 122.91 1r9x h ILE 112 Ca 0.19 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1r9x h ILE 112 Cb 0.43 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1r9x h ILE 112 CO 0.01 0.19 -0.07 0.00 0.00 0.00 0.00 178.15 178.28 1r9x h ALA 113 N 1.11 1.63 -0.54 1.87 0.00 -0.96 -2.17 119.26 120.21 1r9x h ALA 113 Ca 0.18 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1r9x h ALA 113 Cb 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1r9x h ALA 113 CO -0.03 0.09 0.11 0.09 0.00 0.00 0.00 179.25 179.52 1r9x n ASN 114 N -4.10 4.58 -1.21 0.00 3.02 -0.42 -4.61 115.26 112.52 1r9x n ASN 114 Ca -0.03 -2.87 -0.15 0.00 -0.03 0.00 0.00 54.58 51.51 1r9x n ASN 114 Cb 0.16 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 1r9x n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r9x n GLY 115 N 0.22 1.24 3.57 7.41 0.00 -0.81 -4.81 105.19 112.01 1r9x n GLY 115 Ca 0.28 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1r9x n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9x s ILE 116 N -2.58 5.08 -1.10 -0.61 1.01 -0.32 -1.13 121.20 121.56 1r9x s ILE 116 Ca 0.00 0.38 0.10 0.00 0.00 0.00 0.00 60.65 61.12 1r9x s ILE 116 Cb 0.00 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.64 1r9x s ILE 116 CO 0.00 -0.09 0.73 0.00 0.00 0.00 0.00 174.94 175.58 1r9x n GLN 117 N 5.57 1.13 -3.89 2.79 6.02 -1.04 -4.19 117.38 123.76 1r9x n GLN 117 Ca -0.06 -0.88 -0.21 0.00 -0.01 0.00 0.00 57.00 55.84 1r9x n GLN 117 Cb 0.49 -1.14 -0.17 0.00 1.02 0.00 0.00 30.24 30.44 1r9x n GLN 117 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1r9x s HIS 118 N -1.04 0.58 -0.02 1.08 3.76 -1.25 -1.08 115.29 117.32 1r9x s HIS 118 Ca 0.10 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1r9x s HIS 118 Cb 0.08 -0.67 0.01 0.00 1.11 0.00 0.00 32.58 33.11 1r9x s HIS 118 CO 0.17 -0.25 -0.02 0.08 -0.85 0.00 0.00 174.74 173.88 1r9x s VAL 119 N 1.54 0.24 -0.26 -0.90 1.01 -0.88 -0.85 120.40 120.30 1r9x s VAL 119 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1r9x s VAL 119 Cb -0.13 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1r9x s VAL 119 CO -0.03 0.11 -0.05 -0.60 0.00 0.00 0.00 175.10 174.53 1r9x s ARG 120 N 0.41 2.76 -0.09 2.72 3.52 0.27 -0.35 118.95 128.18 1r9x s ARG 120 Ca -0.04 -1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 54.52 1r9x s ARG 120 Cb -0.07 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1r9x s ARG 120 CO -0.01 -0.44 -0.05 -0.08 -0.81 0.00 0.00 175.30 173.91 1r9x s THR 121 N 1.31 3.87 0.22 4.11 -1.32 0.08 -2.05 115.64 121.85 1r9x s THR 121 Ca -0.01 -0.41 -0.12 0.00 -1.21 0.00 0.00 61.69 59.95 1r9x s THR 121 Cb -0.17 -2.61 -0.07 0.00 -1.51 0.00 0.00 72.50 68.13 1r9x s THR 121 CO -0.04 0.58 0.58 -1.00 -2.21 0.00 0.00 174.62 172.53 1r9x s HIS 122 N -0.58 3.47 -0.05 9.09 3.76 0.07 -0.38 115.29 130.68 1r9x s HIS 122 Ca 0.09 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 55.98 1r9x s HIS 122 Cb -0.12 -2.34 0.03 0.00 1.11 0.00 0.00 32.58 31.26 1r9x s HIS 122 CO 0.02 0.29 -0.02 0.08 -0.85 0.00 0.00 174.74 174.27 1r9x s VAL 123 N -1.73 0.37 -0.02 -0.90 1.01 -0.21 -4.12 120.40 114.80 1r9x s VAL 123 Ca 0.46 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1r9x s VAL 123 Cb -0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 1r9x s VAL 123 CO 0.20 0.21 1.89 -0.62 0.00 0.00 0.00 175.10 176.78 1r9x s ASP 124 N 1.28 6.43 -0.18 3.32 3.68 -1.26 -0.94 116.67 129.01 1r9x s ASP 124 Ca -0.06 2.46 0.17 0.00 2.13 0.00 0.00 52.55 57.25 1r9x s ASP 124 Cb -0.13 -2.53 0.49 0.00 -1.45 0.00 0.00 42.92 39.30 1r9x s ASP 124 CO -0.02 -1.10 1.38 1.33 0.13 0.00 0.00 175.17 176.90 1r9x n VAL 125 N 5.73 2.24 -2.41 1.11 0.24 0.25 -4.65 118.33 120.84 1r9x n VAL 125 Ca 0.20 -1.97 -0.41 0.00 -2.04 0.00 0.00 64.34 60.12 1r9x n VAL 125 Cb 0.42 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1r9x n VAL 125 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1r9x n SER 126 N -0.68 7.42 -3.35 -1.34 7.64 -1.26 -4.65 113.62 117.41 1r9x n SER 126 Ca 0.21 -3.43 -0.02 0.00 1.01 0.00 0.00 58.87 56.64 1r9x n SER 126 Cb 0.86 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 1r9x n SER 126 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r9x s ASP 127 N -0.62 -0.73 0.56 6.43 3.68 -1.26 -4.91 116.67 119.81 1r9x s ASP 127 Ca 0.44 0.81 0.26 0.00 2.13 0.00 0.00 52.55 56.18 1r9x s ASP 127 Cb 0.17 1.78 1.50 0.00 -1.45 0.00 0.00 42.92 44.92 1r9x s ASP 127 CO -0.09 -0.26 2.06 0.00 0.13 0.00 0.00 175.17 177.00 1r9x h ALA 128 N 8.08 2.11 0.00 3.66 0.00 -1.95 -0.24 119.26 130.91 1r9x h ALA 128 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1r9x h ALA 128 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r9x h ALA 128 CO 0.22 -0.41 -0.27 0.25 0.00 0.00 0.00 179.25 179.04 1r9x n THR 129 N -4.11 0.50 -4.26 0.00 -2.24 -1.26 -4.93 114.28 97.98 1r9x n THR 129 Ca 0.04 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.17 1r9x n THR 129 Cb 0.42 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1r9x n THR 129 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r9x n LEU 130 N -2.21 -1.62 0.08 3.22 4.77 -0.10 -4.87 117.00 116.27 1r9x n LEU 130 Ca 0.05 -1.04 -0.12 0.00 -0.03 0.00 0.00 56.01 54.87 1r9x n LEU 130 Cb 0.44 -2.03 -0.06 0.00 -2.33 0.00 0.00 43.42 39.43 1r9x n LEU 130 CO 0.33 0.28 0.81 0.74 -1.33 0.00 0.00 177.39 178.22 1r9x h THR 131 N -1.44 0.81 -0.42 -5.08 2.02 -1.92 -1.97 112.91 104.91 1r9x h THR 131 Ca -0.59 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1r9x h THR 131 Cb 1.38 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1r9x h THR 131 CO 0.79 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 176.64 1r9x h ALA 132 N 0.75 1.15 -0.23 6.16 0.00 -1.89 -2.50 119.26 122.70 1r9x h ALA 132 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1r9x h ALA 132 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1r9x h ALA 132 CO -0.04 0.54 0.07 1.25 0.00 0.00 0.00 179.25 181.08 1r9x h LEU 133 N 0.65 0.34 -1.07 0.00 5.85 -1.78 0.70 115.31 120.00 1r9x h LEU 133 Ca 0.13 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1r9x h LEU 133 Cb 0.46 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1r9x h LEU 133 CO 0.02 0.45 0.49 0.11 -0.34 0.00 0.00 178.44 179.17 1r9x h LYS 134 N 0.21 1.13 -0.23 1.25 1.57 -1.24 -0.55 116.57 118.72 1r9x h LYS 134 Ca 0.08 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1r9x h LYS 134 Cb 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1r9x h LYS 134 CO -0.00 0.80 -0.01 0.00 -0.57 0.00 0.00 179.45 179.66 1r9x h ALA 135 N 1.39 0.31 -0.13 3.86 0.00 -1.23 -3.08 119.26 120.39 1r9x h ALA 135 Ca 0.30 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r9x h ALA 135 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1r9x h ALA 135 CO -0.05 0.05 -0.13 1.98 0.00 0.00 0.00 179.25 181.10 1r9x h MET 136 N 0.17 0.20 -0.12 0.00 -1.53 -0.31 -1.43 114.93 111.91 1r9x h MET 136 Ca 0.06 -0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.21 1r9x h MET 136 Cb 0.43 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 1r9x h MET 136 CO 0.01 0.34 -0.23 -0.07 0.14 0.00 0.00 176.91 177.10 1r9x h LEU 137 N 0.19 0.21 -0.03 3.39 3.38 -1.05 0.62 115.31 122.02 1r9x h LEU 137 Ca 0.04 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1r9x h LEU 137 Cb 0.36 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1r9x h LEU 137 CO 0.02 0.45 -0.64 -0.33 0.09 0.00 0.00 178.44 178.03 1r9x h GLU 138 N 0.20 0.49 -0.94 1.13 5.08 -1.26 -3.13 114.58 116.14 1r9x h GLU 138 Ca 0.03 -0.48 0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1r9x h GLU 138 Cb 0.52 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1r9x h GLU 138 CO 0.04 1.12 0.60 0.28 -1.00 0.00 0.00 179.01 180.05 1r9x h VAL 139 N 0.04 1.05 -0.66 3.13 2.07 -0.87 -1.07 116.25 119.93 1r9x h VAL 139 Ca -0.07 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1r9x h VAL 139 Cb 1.32 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1r9x h VAL 139 CO 0.13 0.20 0.34 0.50 0.02 0.00 0.00 177.57 178.75 1r9x h LYS 140 N 1.07 0.58 -0.38 1.57 3.64 -0.87 0.12 116.57 122.30 1r9x h LYS 140 Ca 0.42 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 1r9x h LYS 140 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1r9x h LYS 140 CO -0.18 0.38 -0.23 1.96 -2.27 0.00 0.00 179.45 179.11 1r9x h GLN 141 N 0.60 0.83 -0.52 1.90 4.20 -1.29 -2.83 115.11 118.01 1r9x h GLN 141 Ca 0.31 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1r9x h GLN 141 Cb 0.28 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1r9x h GLN 141 CO -0.23 1.02 -0.03 0.93 -0.67 0.00 0.00 178.83 179.85 1r9x h GLU 142 N 0.64 0.90 -0.00 1.46 5.08 -0.54 -3.10 114.58 119.01 1r9x h GLU 142 Ca 0.08 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1r9x h GLU 142 Cb 0.80 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1r9x h GLU 142 CO 0.07 0.92 -0.26 1.55 -1.00 0.00 0.00 179.01 180.28 1r9x n VAL 143 N -4.18 0.00 -0.37 3.13 3.14 -0.03 -4.45 118.33 115.56 1r9x n VAL 143 Ca 0.02 -0.08 0.29 0.00 -2.96 0.00 0.00 64.34 61.62 1r9x n VAL 143 Cb 0.34 0.19 0.57 0.00 -1.06 0.00 0.00 33.84 33.87 1r9x n VAL 143 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1r9x h ALA 144 N 3.48 2.44 0.00 1.55 0.00 -1.42 0.90 119.26 126.21 1r9x h ALA 144 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1r9x h ALA 144 Cb 0.47 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1r9x h ALA 144 CO 0.00 -0.96 -0.05 -1.35 0.00 0.00 0.00 179.25 176.90 1r9x h PRO 145 N 0.25 0.00 0.00 0.00 0.11 -1.83 -3.31 132.00 127.21 1r9x h PRO 145 Ca 0.70 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.69 1r9x h PRO 145 Cb 1.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 33.07 1r9x h PRO 145 CO -0.37 0.05 -1.44 0.91 -0.21 0.00 0.00 178.00 176.94 1r9x n TRP 146 N -3.30 0.00 -3.90 0.65 8.01 0.14 -5.01 117.44 114.02 1r9x n TRP 146 Ca -0.01 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.03 1r9x n TRP 146 Cb 0.21 -0.31 -0.15 0.00 -2.01 0.00 0.00 31.31 29.04 1r9x n TRP 146 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1r9x s ILE 147 N -2.16 0.09 -0.50 -0.99 1.01 -0.20 -4.65 121.20 113.80 1r9x s ILE 147 Ca -0.05 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 1r9x s ILE 147 Cb 0.02 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.39 1r9x s ILE 147 CO 0.24 0.08 0.76 -0.62 0.00 0.00 0.00 174.94 175.40 1r9x s ASP 148 N 0.56 6.31 -0.22 3.58 3.68 -0.24 -3.62 116.67 126.72 1r9x s ASP 148 Ca -0.05 -0.51 -0.12 0.00 2.13 0.00 0.00 52.55 54.00 1r9x s ASP 148 Cb -0.08 -2.36 -0.05 0.00 -1.45 0.00 0.00 42.92 38.99 1r9x s ASP 148 CO -0.01 -0.99 0.21 -0.22 0.13 0.00 0.00 175.17 174.29 1r9x s LEU 149 N 3.20 4.15 -0.11 -1.34 2.96 -1.26 -2.08 118.68 124.20 1r9x s LEU 149 Ca 0.24 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1r9x s LEU 149 Cb -0.15 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1r9x s LEU 149 CO 0.17 0.06 0.08 -1.10 -1.32 0.00 0.00 176.35 174.24 1r9x s GLN 150 N 0.96 3.25 -0.17 1.98 -0.21 0.52 -4.98 119.66 121.02 1r9x s GLN 150 Ca 0.10 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.21 1r9x s GLN 150 Cb -0.13 -3.02 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1r9x s GLN 150 CO 0.04 0.73 -0.10 0.42 -2.12 0.00 0.00 175.29 174.26 1r9x s ILE 151 N -0.92 3.10 -0.22 1.08 1.01 -1.26 -0.74 121.20 123.25 1r9x s ILE 151 Ca 0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 1r9x s ILE 151 Cb -0.12 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1r9x s ILE 151 CO 0.03 0.49 0.13 -0.69 0.00 0.00 0.00 174.94 174.90 1r9x s VAL 152 N 0.84 5.28 -0.67 2.92 1.01 0.49 -0.99 120.40 129.28 1r9x s VAL 152 Ca -0.03 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1r9x s VAL 152 Cb -0.15 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1r9x s VAL 152 CO 0.01 0.40 1.26 0.00 0.00 0.00 0.00 175.10 176.77 1r9x s ALA 153 N 0.70 2.83 -0.43 5.51 0.00 0.12 -1.05 121.76 129.45 1r9x s ALA 153 Ca 0.07 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1r9x s ALA 153 Cb -0.12 -4.17 0.05 0.00 0.00 0.00 0.00 23.12 18.88 1r9x s ALA 153 CO 0.01 -3.06 0.30 0.12 0.00 0.00 0.00 175.76 173.14 1r9x s PHE 154 N 5.52 3.27 -1.37 0.00 5.36 -0.11 -0.82 117.98 129.81 1r9x s PHE 154 Ca 0.39 -1.02 -0.15 0.00 -0.96 0.00 0.00 56.93 55.19 1r9x s PHE 154 Cb -0.08 -2.85 0.06 0.00 -0.34 0.00 0.00 43.02 39.82 1r9x s PHE 154 CO 0.19 -0.74 1.97 -0.35 -1.46 0.00 0.00 175.22 174.84 1r9x n PRO 155 N 5.08 3.06 -0.35 10.12 -0.04 -1.26 -0.58 135.00 151.03 1r9x n PRO 155 Ca -0.11 -2.98 0.29 0.00 -0.04 0.00 0.00 63.50 60.65 1r9x n PRO 155 Cb 0.45 -3.35 0.60 0.00 -0.04 0.00 0.00 33.50 31.15 1r9x n PRO 155 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1r9x h GLN 156 N 6.69 0.23 -0.60 0.54 5.75 -1.92 0.10 115.11 125.91 1r9x h GLN 156 Ca 0.50 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1r9x h GLN 156 Cb 0.75 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1r9x h GLN 156 CO 1.67 0.15 0.00 0.39 -2.65 0.00 0.00 178.83 178.39 1r9x n GLU 157 N -4.51 2.42 0.00 1.69 -0.58 -1.26 -5.02 120.64 113.38 1r9x n GLU 157 Ca 0.27 -2.21 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 1r9x n GLU 157 Cb 1.07 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1r9x n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r9x n GLY 158 N 1.48 2.27 0.11 0.62 0.00 0.36 -4.07 105.19 105.96 1r9x n GLY 158 Ca 0.21 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 1r9x n GLY 158 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r9x n ILE 159 N 1.88 1.56 0.31 -0.61 5.41 -1.26 -4.06 119.36 122.60 1r9x n ILE 159 Ca 0.00 -0.13 0.11 0.00 1.00 0.00 0.00 62.75 63.74 1r9x n ILE 159 Cb 0.00 -1.99 -0.00 0.00 -0.71 0.00 0.00 39.64 36.93 1r9x n ILE 159 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1r9x n LEU 160 N -4.30 0.60 -0.95 1.39 4.77 -1.26 -2.96 117.00 114.30 1r9x n LEU 160 Ca -0.34 0.13 0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1r9x n LEU 160 Cb 0.74 -0.07 0.27 0.00 -2.33 0.00 0.00 43.42 42.02 1r9x n LEU 160 CO 0.21 -0.05 0.72 -1.20 -1.33 0.00 0.00 177.39 175.73 1r9x n SER 161 N -2.28 2.80 -4.10 -1.43 7.64 -1.26 -4.88 113.62 110.10 1r9x n SER 161 Ca 0.00 -1.93 -0.21 0.00 1.01 0.00 0.00 58.87 57.74 1r9x n SER 161 Cb 0.50 -0.27 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 1r9x n SER 161 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1r9x s TYR 162 N -1.47 1.19 0.01 1.43 6.14 -1.26 -4.90 117.35 118.50 1r9x s TYR 162 Ca 0.36 -0.25 -0.34 0.00 0.64 0.00 0.00 57.07 57.48 1r9x s TYR 162 Cb 0.20 -0.75 -0.12 0.00 0.42 0.00 0.00 41.96 41.70 1r9x s TYR 162 CO 0.27 -0.01 1.78 -2.30 0.64 0.00 0.00 175.55 175.94 1r9x n PRO 163 N 2.55 2.22 -2.07 4.97 -0.02 -1.26 -1.17 135.00 140.21 1r9x n PRO 163 Ca -0.15 0.81 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 1r9x n PRO 163 Cb 0.55 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1r9x n PRO 163 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r9x n ASN 164 N 5.53 -5.78 -0.15 2.55 3.02 -1.26 -4.89 115.26 114.28 1r9x n ASN 164 Ca 0.20 0.20 -0.03 0.00 -0.03 0.00 0.00 54.58 54.92 1r9x n ASN 164 Cb 0.30 -4.93 0.05 0.00 -0.61 0.00 0.00 39.78 34.60 1r9x n ASN 164 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1r9x h GLY 165 N 0.00 0.61 1.03 7.41 0.00 -1.22 -0.26 103.07 110.65 1r9x h GLY 165 Ca -0.47 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1r9x h GLY 165 CO 0.61 -0.00 -0.15 -2.09 0.00 0.00 0.00 176.54 174.90 1r9x h GLU 166 N 0.31 0.87 -0.79 4.80 4.81 -1.81 -1.40 114.58 121.38 1r9x h GLU 166 Ca 0.23 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1r9x h GLU 166 Cb 0.25 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1r9x h GLU 166 CO -0.25 1.00 0.42 0.00 -0.73 0.00 0.00 179.01 179.45 1r9x h ALA 167 N 0.85 1.02 -0.38 2.92 0.00 -1.83 -1.35 119.26 120.48 1r9x h ALA 167 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1r9x h ALA 167 Cb 0.70 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r9x h ALA 167 CO 0.05 0.55 -0.24 -0.07 0.00 0.00 0.00 179.25 179.54 1r9x h LEU 168 N 1.11 0.78 -0.42 0.00 3.38 -0.92 0.07 115.31 119.30 1r9x h LEU 168 Ca 0.28 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1r9x h LEU 168 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1r9x h LEU 168 CO -0.04 0.99 0.19 0.25 0.09 0.00 0.00 178.44 179.92 1r9x h LEU 169 N 0.66 0.56 -0.72 1.67 5.85 -0.87 -0.94 115.31 121.53 1r9x h LEU 169 Ca 0.09 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 1r9x h LEU 169 Cb 0.75 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1r9x h LEU 169 CO 0.06 0.55 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.39 1r9x h GLU 170 N 0.54 0.72 -0.89 1.25 4.81 -1.08 -2.64 114.58 117.29 1r9x h GLU 170 Ca 0.14 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1r9x h GLU 170 Cb 0.14 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1r9x h GLU 170 CO -0.02 0.90 0.57 1.49 -0.73 0.00 0.00 179.01 181.22 1r9x h GLU 171 N 0.63 1.19 -0.76 1.92 4.81 -0.61 -0.07 114.58 121.68 1r9x h GLU 171 Ca 0.09 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r9x h GLU 171 Cb 0.74 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1r9x h GLU 171 CO 0.06 0.80 0.47 0.00 -0.73 0.00 0.00 179.01 179.61 1r9x h ALA 172 N 1.32 1.38 -0.37 2.92 0.00 -0.87 -0.55 119.26 123.09 1r9x h ALA 172 Ca 0.32 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1r9x h ALA 172 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1r9x h ALA 172 CO -0.07 0.54 -0.39 -0.07 0.00 0.00 0.00 179.25 179.26 1r9x h LEU 173 N 1.05 0.99 -1.90 0.00 3.38 -0.99 -1.71 115.31 116.12 1r9x h LEU 173 Ca 0.28 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1r9x h LEU 173 Cb -0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 1r9x h LEU 173 CO -0.05 1.26 -0.12 0.03 0.09 0.00 0.00 178.44 179.65 1r9x h ARG 174 N 0.74 0.00 -0.00 1.13 3.08 -0.26 -0.88 114.38 118.19 1r9x h ARG 174 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1r9x h ARG 174 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1r9x h ARG 174 CO 0.10 0.12 -0.22 1.28 -1.07 0.00 0.00 179.97 180.18 1r9x n LEU 175 N -3.66 0.28 0.00 3.04 4.77 -0.29 -4.93 117.00 116.21 1r9x n LEU 175 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1r9x n LEU 175 Cb 0.24 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1r9x n LEU 175 CO 0.30 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1r9x n GLY 176 N 1.46 1.17 3.73 -0.72 0.00 -0.34 -5.08 105.19 105.41 1r9x n GLY 176 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1r9x n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9x n ALA 177 N 0.00 1.89 0.11 4.61 0.00 -0.67 -4.89 120.51 121.55 1r9x n ALA 177 Ca 0.00 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.80 1r9x n ALA 177 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 1r9x n ALA 177 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1r9x h ASP 178 N 3.49 0.00 -4.24 0.00 3.32 -1.42 -3.44 116.42 114.14 1r9x h ASP 178 Ca -0.47 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.17 1r9x h ASP 178 Cb 1.26 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.54 1r9x h ASP 178 CO 0.69 0.64 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.38 1r9x s VAL 179 N -2.89 0.87 -0.18 -1.35 1.01 -0.64 -2.31 120.40 114.90 1r9x s VAL 179 Ca 0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1r9x s VAL 179 Cb 0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1r9x s VAL 179 CO 0.77 0.07 0.36 -0.69 0.00 0.00 0.00 175.10 175.61 1r9x s VAL 180 N -0.59 5.24 0.48 2.92 1.01 0.48 -0.70 120.40 129.24 1r9x s VAL 180 Ca 0.01 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.71 1r9x s VAL 180 Cb -0.06 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1r9x s VAL 180 CO 0.00 0.31 0.44 -0.83 0.00 0.00 0.00 175.10 175.02 1r9x s GLY 181 N 0.82 2.17 0.17 4.51 0.00 -0.00 -1.36 107.32 113.63 1r9x s GLY 181 Ca 0.18 -1.72 -0.25 0.00 0.00 0.00 0.00 44.72 42.94 1r9x s GLY 181 CO 0.07 -1.78 0.95 0.00 0.00 0.00 0.00 173.10 172.33 1r9x s ALA 182 N -2.60 -1.62 -0.47 3.20 0.00 -1.25 -4.59 121.76 114.44 1r9x s ALA 182 Ca 0.45 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1r9x s ALA 182 Cb -0.03 0.66 0.26 0.00 0.00 0.00 0.00 23.12 24.01 1r9x s ALA 182 CO 0.27 -1.05 0.88 1.51 0.00 0.00 0.00 175.76 177.38 1r9x n ILE 183 N -0.48 -0.10 -0.30 0.00 3.06 -1.26 -0.99 119.36 119.29 1r9x n ILE 183 Ca -0.06 -1.95 0.16 0.00 -2.50 0.00 0.00 62.75 58.40 1r9x n ILE 183 Cb 0.61 0.98 0.42 0.00 0.54 0.00 0.00 39.64 42.18 1r9x n ILE 183 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 1r9x h PRO 184 N 3.75 0.57 0.00 9.51 0.13 -1.85 -1.24 132.00 142.87 1r9x h PRO 184 Ca -0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1r9x h PRO 184 Cb 1.02 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1r9x h PRO 184 CO 0.31 0.38 0.00 -2.39 -0.23 0.00 0.00 178.00 176.07 1r9x n HIS 185 N -4.62 0.59 0.94 1.56 1.44 -1.26 -2.27 115.22 111.60 1r9x n HIS 185 Ca 0.21 0.23 0.11 0.00 -2.01 0.00 0.00 57.72 56.26 1r9x n HIS 185 Cb 0.63 -0.86 0.07 0.00 0.12 0.00 0.00 29.99 29.95 1r9x n HIS 185 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1r9x n PHE 186 N -2.03 0.04 -1.47 -1.40 7.35 -0.47 -4.93 117.46 114.54 1r9x n PHE 186 Ca 0.03 0.01 -0.33 0.00 -0.76 0.00 0.00 57.45 56.40 1r9x n PHE 186 Cb 0.23 -0.18 0.08 0.00 0.35 0.00 0.00 39.48 39.97 1r9x n PHE 186 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1r9x s GLU 187 N -3.03 2.31 0.34 -4.13 0.41 -0.96 -4.87 118.70 108.77 1r9x s GLU 187 Ca 0.09 1.51 0.06 0.00 -0.41 0.00 0.00 54.97 56.22 1r9x s GLU 187 Cb 0.16 -1.88 0.73 0.00 -1.78 0.00 0.00 34.13 31.36 1r9x s GLU 187 CO 0.78 -1.65 1.88 0.74 -0.49 0.00 0.00 175.26 176.52 1r9x h PHE 188 N -0.43 0.89 -3.88 1.61 0.04 -1.91 -3.44 116.94 109.81 1r9x h PHE 188 Ca -0.46 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.11 1r9x h PHE 188 Cb 1.26 -0.28 -0.15 0.00 2.20 0.00 0.00 35.95 38.98 1r9x h PHE 188 CO 0.52 0.37 -0.69 0.95 -0.60 0.00 0.00 178.31 178.87 1r9x s THR 189 N -5.75 0.61 0.29 -1.55 -4.23 -1.26 -5.03 115.64 98.72 1r9x s THR 189 Ca -0.10 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1r9x s THR 189 Cb 0.21 -1.76 0.27 0.00 1.34 0.00 0.00 72.50 72.56 1r9x s THR 189 CO 0.79 -0.79 1.92 -0.09 -0.54 0.00 0.00 174.62 175.91 1r9x h ARG 190 N 2.93 1.06 -0.56 3.99 2.43 -1.91 -0.26 114.38 122.06 1r9x h ARG 190 Ca -0.35 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.71 1r9x h ARG 190 Cb 1.17 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1r9x h ARG 190 CO 0.64 0.70 0.17 0.93 -1.51 0.00 0.00 179.97 180.90 1r9x h GLU 191 N 1.09 0.88 -0.49 0.20 3.07 -1.97 -0.76 114.58 116.60 1r9x h GLU 191 Ca 0.38 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 1r9x h GLU 191 Cb 0.10 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1r9x h GLU 191 CO -0.13 0.80 0.09 1.88 -1.40 0.00 0.00 179.01 180.25 1r9x h TYR 192 N 0.79 0.79 0.09 4.33 -1.99 -1.76 -0.73 116.97 118.49 1r9x h TYR 192 Ca 0.18 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 1r9x h TYR 192 Cb 0.29 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1r9x h TYR 192 CO 0.02 0.69 -0.04 0.78 -0.00 0.00 0.00 178.16 179.60 1r9x h GLY 193 N 0.94 -0.13 0.95 3.88 0.00 -0.30 0.15 103.07 108.57 1r9x h GLY 193 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1r9x h GLY 193 CO 0.00 -0.05 0.13 -2.08 0.00 0.00 0.00 176.54 174.55 1r9x h VAL 194 N -0.12 1.22 -0.77 4.60 2.07 -0.97 -2.88 116.25 119.39 1r9x h VAL 194 Ca -0.01 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1r9x h VAL 194 Cb 0.10 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1r9x h VAL 194 CO 0.02 0.26 0.36 -0.08 0.02 0.00 0.00 177.57 178.15 1r9x h GLU 195 N 0.55 1.11 -0.32 1.57 4.81 -0.99 -2.03 114.58 119.27 1r9x h GLU 195 Ca 0.14 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1r9x h GLU 195 Cb 0.26 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1r9x h GLU 195 CO -0.00 0.86 0.21 0.66 -0.73 0.00 0.00 179.01 180.00 1r9x h SER 196 N 1.10 0.34 0.07 1.04 4.64 -0.49 -1.57 113.55 118.67 1r9x h SER 196 Ca 0.26 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 1r9x h SER 196 Cb 0.12 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1r9x h SER 196 CO -0.03 0.24 -0.62 -0.07 -0.87 0.00 0.00 176.83 175.47 1r9x h LEU 197 N 0.39 0.61 -0.58 5.97 3.38 -1.19 -0.43 115.31 123.47 1r9x h LEU 197 Ca 0.12 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1r9x h LEU 197 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1r9x h LEU 197 CO -0.03 1.09 0.21 0.45 0.09 0.00 0.00 178.44 180.25 1r9x h HIS 198 N 0.40 0.90 -0.62 1.13 3.86 -1.07 -0.83 115.15 118.92 1r9x h HIS 198 Ca -0.01 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 1r9x h HIS 198 Cb 1.19 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1r9x h HIS 198 CO 0.05 0.73 0.13 0.87 0.86 0.00 0.00 177.93 180.57 1r9x h LYS 199 N 0.80 0.99 -0.16 2.45 1.57 -1.14 -0.92 116.57 120.16 1r9x h LYS 199 Ca 0.19 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1r9x h LYS 199 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1r9x h LYS 199 CO -0.01 0.89 0.07 1.15 -0.57 0.00 0.00 179.45 180.98 1r9x h THR 200 N 0.94 1.15 -0.54 -0.16 2.02 -0.76 -1.59 112.91 113.98 1r9x h THR 200 Ca 0.20 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1r9x h THR 200 Cb 0.37 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1r9x h THR 200 CO 0.00 0.14 0.03 -0.26 0.37 0.00 0.00 175.52 175.80 1r9x h PHE 201 N 0.12 0.95 -0.78 3.16 0.04 -0.98 -1.28 116.94 118.17 1r9x h PHE 201 Ca 0.05 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1r9x h PHE 201 Cb 0.16 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 1r9x h PHE 201 CO -0.02 0.85 0.38 0.00 -0.60 0.00 0.00 178.31 178.92 1r9x h ALA 202 N 1.20 1.00 -0.52 2.45 0.00 -0.96 -1.44 119.26 120.98 1r9x h ALA 202 Ca 0.16 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1r9x h ALA 202 Cb 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r9x h ALA 202 CO 0.02 0.56 -0.16 -0.07 0.00 0.00 0.00 179.25 179.60 1r9x h LEU 203 N 1.09 1.04 -1.03 0.00 3.38 -0.97 -0.58 115.31 118.25 1r9x h LEU 203 Ca 0.27 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1r9x h LEU 203 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1r9x h LEU 203 CO -0.03 1.17 0.27 0.00 0.09 0.00 0.00 178.44 179.94 1r9x h ALA 204 N 0.91 1.23 0.01 1.53 0.00 -0.88 -1.36 119.26 120.70 1r9x h ALA 204 Ca 0.13 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1r9x h ALA 204 Cb 0.73 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r9x h ALA 204 CO 0.06 0.57 -0.94 1.96 0.00 0.00 0.00 179.25 180.90 1r9x h GLN 205 N 0.95 0.33 -0.70 0.00 1.08 -1.10 0.11 115.11 115.79 1r9x h GLN 205 Ca 0.23 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 1r9x h GLN 205 Cb 0.17 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1r9x h GLN 205 CO -0.02 1.06 0.16 -0.22 -0.95 0.00 0.00 178.83 178.87 1r9x h LYS 206 N 0.18 1.13 -0.02 1.46 3.64 -0.77 -3.21 116.57 118.98 1r9x h LYS 206 Ca -0.07 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1r9x h LYS 206 Cb 1.58 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1r9x h LYS 206 CO 0.16 1.00 -0.09 0.66 -2.27 0.00 0.00 179.45 178.91 1r9x n TYR 207 N -4.24 0.00 -3.36 1.91 4.02 -0.54 -5.01 117.16 109.94 1r9x n TYR 207 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 1r9x n TYR 207 Cb 0.26 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1r9x n TYR 207 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1r9x n ASP 208 N 0.81 -6.35 -4.52 7.72 4.64 0.25 -5.03 116.55 114.07 1r9x n ASP 208 Ca 0.10 -0.76 -0.25 0.00 -1.38 0.00 0.00 54.79 52.51 1r9x n ASP 208 Cb 0.46 -4.68 -0.11 0.00 -1.04 0.00 0.00 41.12 35.75 1r9x n ASP 208 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1r9x s ARG 209 N -4.75 1.77 0.77 -0.67 1.81 -0.40 -5.04 118.95 112.44 1r9x s ARG 209 Ca 0.43 -1.96 -0.09 0.00 -1.72 0.00 0.00 55.73 52.39 1r9x s ARG 209 Cb -0.09 -1.35 0.09 0.00 -0.45 0.00 0.00 34.95 33.15 1r9x s ARG 209 CO 0.78 -0.04 1.10 -0.51 -0.68 0.00 0.00 175.30 175.95 1r9x s LEU 210 N -3.58 2.71 -0.02 2.53 1.43 -0.98 -4.74 118.68 116.04 1r9x s LEU 210 Ca 0.34 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 1r9x s LEU 210 Cb 0.07 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1r9x s LEU 210 CO 0.16 -1.84 -0.13 -0.63 0.23 0.00 0.00 176.35 174.13 1r9x s ILE 211 N -3.42 1.07 -0.26 -0.59 1.01 -0.13 -0.39 121.20 118.49 1r9x s ILE 211 Ca 0.63 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1r9x s ILE 211 Cb -0.10 -0.91 0.13 0.00 0.01 0.00 0.00 42.46 41.59 1r9x s ILE 211 CO 0.47 0.31 0.30 -0.62 0.00 0.00 0.00 174.94 175.40 1r9x s ASP 212 N -0.11 1.28 -0.12 3.58 3.68 -0.46 -0.82 116.67 123.70 1r9x s ASP 212 Ca 0.01 -0.46 -0.14 0.00 2.13 0.00 0.00 52.55 54.10 1r9x s ASP 212 Cb -0.07 0.63 -0.05 0.00 -1.45 0.00 0.00 42.92 41.98 1r9x s ASP 212 CO 0.00 -0.36 0.31 -0.69 0.13 0.00 0.00 175.17 174.56 1r9x s VAL 213 N 2.40 5.27 -0.66 1.11 1.01 -0.43 -3.95 120.40 125.14 1r9x s VAL 213 Ca 0.09 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 1r9x s VAL 213 Cb -0.14 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1r9x s VAL 213 CO -0.26 0.45 1.40 -1.00 0.00 0.00 0.00 175.10 175.69 1r9x s HIS 214 N 0.02 2.21 -0.24 5.22 3.76 -0.17 -0.03 115.29 126.06 1r9x s HIS 214 Ca 0.18 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.31 1r9x s HIS 214 Cb -0.14 -4.47 0.01 0.00 1.11 0.00 0.00 32.58 29.08 1r9x s HIS 214 CO 0.06 -2.05 -0.04 0.00 -0.85 0.00 0.00 174.74 171.86 1r9x n ASP 216 N 4.76 -2.62 -4.21 0.00 10.43 -1.26 -0.45 116.55 123.20 1r9x n ASP 216 Ca -0.17 -0.81 -0.43 0.00 2.57 0.00 0.00 54.79 55.95 1r9x n ASP 216 Cb 0.49 -3.97 0.00 0.00 1.84 0.00 0.00 41.12 39.49 1r9x n ASP 216 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1r9x n GLU 217 N -4.45 3.35 -3.61 -1.24 2.13 -1.26 -1.38 120.64 114.17 1r9x n GLU 217 Ca -0.16 -3.49 -0.09 0.00 0.66 0.00 0.00 57.16 54.07 1r9x n GLU 217 Cb 0.62 -3.12 -0.06 0.00 0.27 0.00 0.00 31.44 29.15 1r9x n GLU 217 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1r9x s ILE 218 N 1.89 0.00 -1.13 6.31 2.07 -1.26 -4.98 121.20 124.10 1r9x s ILE 218 Ca 0.44 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.61 1r9x s ILE 218 Cb 0.04 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.56 1r9x s ILE 218 CO 0.01 0.00 2.98 0.47 -1.91 0.00 0.00 174.94 176.48 1r9x n ASP 219 N 1.50 7.70 -4.06 4.50 10.43 -1.26 -2.96 116.55 132.40 1r9x n ASP 219 Ca -0.11 -2.72 -0.32 0.00 2.57 0.00 0.00 54.79 54.21 1r9x n ASP 219 Cb 0.57 -1.46 -0.15 0.00 1.84 0.00 0.00 41.12 41.91 1r9x n ASP 219 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1r9x s ASP 220 N 1.62 4.08 0.11 -2.24 3.68 -1.26 -4.99 116.67 117.68 1r9x s ASP 220 Ca 0.65 -1.21 0.11 0.00 2.13 0.00 0.00 52.55 54.23 1r9x s ASP 220 Cb 0.23 -1.47 0.54 0.00 -1.45 0.00 0.00 42.92 40.77 1r9x s ASP 220 CO -0.07 -0.16 1.35 -1.84 0.13 0.00 0.00 175.17 174.58 1r9x n GLU 221 N 4.51 0.06 0.00 4.34 0.00 -1.26 -1.29 120.64 126.99 1r9x n GLU 221 Ca -0.15 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.59 1r9x n GLU 221 Cb 0.44 -1.65 0.15 0.00 0.00 0.00 0.00 31.44 30.37 1r9x n GLU 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1r9x n GLN 222 N -1.77 1.85 -2.77 3.44 6.02 -1.26 -4.79 117.38 118.10 1r9x n GLN 222 Ca 0.01 -1.47 -0.42 0.00 -0.01 0.00 0.00 57.00 55.11 1r9x n GLN 222 Cb 0.08 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 1r9x n GLN 222 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1r9x s SER 223 N -2.16 6.20 -0.27 1.08 0.15 -0.41 -4.84 113.70 113.44 1r9x s SER 223 Ca 0.27 -0.74 0.11 0.00 0.70 0.00 0.00 55.95 56.29 1r9x s SER 223 Cb 0.20 -2.46 0.47 0.00 -1.71 0.00 0.00 66.02 62.51 1r9x s SER 223 CO 0.39 -1.51 1.17 0.54 1.20 0.00 0.00 173.24 175.03 1r9x n ARG 224 N 8.10 2.98 0.30 5.44 1.74 -1.26 -4.79 116.66 129.17 1r9x n ARG 224 Ca -0.01 -3.92 0.19 0.00 -0.77 0.00 0.00 57.85 53.34 1r9x n ARG 224 Cb 0.47 -2.04 0.88 0.00 -1.02 0.00 0.00 32.46 30.75 1r9x n ARG 224 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1r9x h PHE 225 N 2.16 0.00 -0.45 -1.55 -1.00 -1.96 -2.61 116.94 111.52 1r9x h PHE 225 Ca 0.22 0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.07 1r9x h PHE 225 Cb 1.45 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.99 1r9x h PHE 225 CO 0.75 0.02 0.31 -0.24 -1.61 0.00 0.00 178.31 177.54 1r9x h VAL 226 N 0.00 0.94 -0.01 -0.55 3.04 -1.92 -0.84 116.25 116.91 1r9x h VAL 226 Ca -0.00 -0.12 -0.09 0.00 -1.01 0.00 0.00 66.70 65.49 1r9x h VAL 226 Cb 0.32 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1r9x h VAL 226 CO 0.00 0.06 -0.41 1.05 -1.01 0.00 0.00 177.57 177.26 1r9x h GLU 227 N 0.34 0.03 -0.08 4.17 4.11 -1.88 -1.22 114.58 120.04 1r9x h GLU 227 Ca 0.20 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 59.38 1r9x h GLU 227 Cb 0.37 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1r9x h GLU 227 CO -0.05 0.44 -0.89 1.15 0.07 0.00 0.00 179.01 179.73 1r9x h THR 228 N 0.02 1.28 -0.25 -1.06 2.02 -1.35 -0.71 112.91 112.87 1r9x h THR 228 Ca -0.00 -2.11 0.01 0.00 0.77 0.00 0.00 66.41 65.08 1r9x h THR 228 Cb 0.74 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1r9x h THR 228 CO 0.05 0.66 0.13 0.58 0.37 0.00 0.00 175.52 177.32 1r9x h VAL 229 N 0.46 1.02 -0.44 3.16 2.07 -1.06 -0.45 116.25 121.01 1r9x h VAL 229 Ca -0.09 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1r9x h VAL 229 Cb 1.53 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1r9x h VAL 229 CO 0.18 0.05 -0.12 0.00 0.02 0.00 0.00 177.57 177.70 1r9x h ALA 230 N 1.11 0.61 -0.47 1.67 0.00 -1.24 -2.12 119.26 118.82 1r9x h ALA 230 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1r9x h ALA 230 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1r9x h ALA 230 CO -0.05 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.83 1r9x h ALA 231 N 0.86 0.62 -0.44 0.00 0.00 -0.90 -0.80 119.26 118.60 1r9x h ALA 231 Ca 0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1r9x h ALA 231 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1r9x h ALA 231 CO 0.05 0.29 -0.08 -0.07 0.00 0.00 0.00 179.25 179.44 1r9x h LEU 232 N 0.63 0.75 -0.52 0.00 3.38 -1.08 -0.26 115.31 118.20 1r9x h LEU 232 Ca 0.15 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1r9x h LEU 232 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1r9x h LEU 232 CO -0.00 0.86 0.14 0.00 0.09 0.00 0.00 178.44 179.53 1r9x h ALA 233 N 1.21 0.69 -0.57 1.53 0.00 -1.10 -1.60 119.26 119.41 1r9x h ALA 233 Ca 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1r9x h ALA 233 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1r9x h ALA 233 CO 0.03 0.37 0.12 1.25 0.00 0.00 0.00 179.25 181.03 1r9x h HIS 234 N 0.72 0.98 -0.85 0.00 -0.00 -0.84 -0.10 115.15 115.06 1r9x h HIS 234 Ca 0.16 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1r9x h HIS 234 Cb 0.32 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.42 1r9x h HIS 234 CO 0.02 0.84 0.50 1.25 -0.00 0.00 0.00 177.93 180.54 1r9x h HIS 235 N 0.83 1.14 -0.01 5.26 6.17 -0.81 -2.40 115.15 125.33 1r9x h HIS 235 Ca 0.18 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.24 1r9x h HIS 235 Cb 0.37 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 29.93 1r9x h HIS 235 CO 0.03 0.77 -0.17 0.39 0.71 0.00 0.00 177.93 179.66 1r9x n GLU 236 N -4.41 0.81 -3.56 5.26 -0.58 -0.62 -4.95 120.64 112.59 1r9x n GLU 236 Ca 0.09 -0.39 -0.21 0.00 -0.42 0.00 0.00 57.16 56.23 1r9x n GLU 236 Cb 0.07 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.53 1r9x n GLU 236 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r9x n GLY 237 N 1.30 -0.44 0.88 0.62 0.00 -0.16 -4.93 105.19 102.47 1r9x n GLY 237 Ca 0.14 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.38 1r9x n GLY 237 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1r9x n MET 238 N -4.54 0.66 -0.28 1.61 0.00 -0.54 -4.91 117.12 109.13 1r9x n MET 238 Ca -0.15 -2.34 0.09 0.00 0.00 0.00 0.00 57.70 55.30 1r9x n MET 238 Cb 0.62 -0.78 0.22 0.00 0.00 0.00 0.00 33.22 33.28 1r9x n MET 238 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1r9x h GLY 239 N 0.72 1.13 1.18 3.17 0.00 -1.67 -0.76 103.07 106.85 1r9x h GLY 239 Ca -0.09 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.36 1r9x h GLY 239 CO 0.04 -0.30 0.30 0.00 0.00 0.00 0.00 176.54 176.58 1r9x h ALA 240 N 1.72 2.30 -0.10 3.60 0.00 -1.82 -0.85 119.26 124.12 1r9x h ALA 240 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1r9x h ALA 240 Cb 0.90 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1r9x h ALA 240 CO -0.63 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 178.66 1r9x n ARG 241 N -4.28 1.81 -4.98 0.00 1.74 -0.29 -4.65 116.66 106.00 1r9x n ARG 241 Ca 0.06 -1.20 -0.32 0.00 -0.77 0.00 0.00 57.85 55.62 1r9x n ARG 241 Cb 0.49 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 1r9x n ARG 241 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r9x s VAL 242 N -1.88 2.82 -0.01 1.55 1.01 -0.32 -0.96 120.40 122.61 1r9x s VAL 242 Ca 0.35 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1r9x s VAL 242 Cb 0.20 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 1r9x s VAL 242 CO 0.30 0.58 -0.06 -0.89 0.00 0.00 0.00 175.10 175.04 1r9x s THR 243 N -0.61 0.48 -0.33 3.92 2.01 0.00 -0.91 115.64 120.20 1r9x s THR 243 Ca 0.09 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1r9x s THR 243 Cb -0.11 -0.42 0.05 0.00 0.01 0.00 0.00 72.50 72.03 1r9x s THR 243 CO 0.01 0.15 0.07 0.00 -0.69 0.00 0.00 174.62 174.15 1r9x s ALA 244 N 0.02 2.96 0.22 7.40 0.00 0.47 -1.32 121.76 131.52 1r9x s ALA 244 Ca 0.00 -1.82 -0.18 0.00 0.00 0.00 0.00 51.96 49.96 1r9x s ALA 244 Cb -0.04 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1r9x s ALA 244 CO -0.00 -1.35 0.69 -1.12 0.00 0.00 0.00 175.76 173.98 1r9x s SER 245 N 1.39 6.98 0.00 0.00 0.01 0.96 -2.29 113.70 120.74 1r9x s SER 245 Ca -0.02 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1r9x s SER 245 Cb -0.20 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1r9x s SER 245 CO 0.01 0.02 0.00 1.41 0.41 0.00 0.00 173.24 175.08 1r9x n HIS 246 N 0.61 0.00 -4.47 2.43 8.25 0.71 -1.06 115.22 121.69 1r9x n HIS 246 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 1r9x n HIS 246 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 1r9x n HIS 246 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1r9x n THR 247 N 0.00 -0.31 0.27 1.59 -2.24 0.41 -4.26 114.28 109.74 1r9x n THR 247 Ca 0.00 -0.10 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 1r9x n THR 247 Cb 0.00 -0.72 0.75 0.00 -2.10 0.00 0.00 70.33 68.26 1r9x n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1r9x h THR 248 N -1.10 0.31 0.00 4.28 1.35 -1.65 -1.79 112.91 114.32 1r9x h THR 248 Ca -0.61 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 64.69 1r9x h THR 248 Cb 1.39 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1r9x h THR 248 CO 0.85 0.08 -0.08 0.00 -0.25 0.00 0.00 175.52 176.13 1r9x h ALA 249 N 1.92 1.70 -0.00 6.62 0.00 -1.11 -1.52 119.26 126.87 1r9x h ALA 249 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r9x h ALA 249 Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r9x h ALA 249 CO 0.01 0.10 0.00 1.98 0.00 0.00 0.00 179.25 181.34 1r9x h MET 250 N 0.00 0.00 0.00 0.00 -1.53 -1.60 0.12 114.93 111.92 1r9x h MET 250 Ca -0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1r9x h MET 250 Cb 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.20 1r9x h MET 250 CO 0.01 0.00 -0.04 1.25 0.14 0.00 0.00 176.91 178.27 1r9x h HIS 251 N 0.00 0.00 -0.15 1.39 2.76 -1.44 -2.93 115.15 114.78 1r9x h HIS 251 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1r9x h HIS 251 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1r9x h HIS 251 CO 0.00 0.04 0.00 0.43 -1.30 0.00 0.00 177.93 177.10 1r9x n SER 252 N -3.27 2.49 -4.79 3.26 7.64 0.41 -4.96 113.62 114.40 1r9x n SER 252 Ca -0.01 -1.72 -0.33 0.00 1.01 0.00 0.00 58.87 57.82 1r9x n SER 252 Cb 0.22 -0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1r9x n SER 252 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r9x s TYR 253 N -1.12 2.86 0.67 1.43 2.02 -1.11 -4.69 117.35 117.41 1r9x s TYR 253 Ca 0.21 1.53 -0.13 0.00 -0.37 0.00 0.00 57.07 58.30 1r9x s TYR 253 Cb 0.13 -3.07 -0.00 0.00 -0.40 0.00 0.00 41.96 38.62 1r9x s TYR 253 CO 0.18 -1.32 1.06 0.54 -1.57 0.00 0.00 175.55 174.45 1r9x s ASN 254 N -2.68 5.42 0.35 2.29 2.20 -1.26 -4.92 114.94 116.33 1r9x s ASN 254 Ca 0.65 1.72 0.11 0.00 -0.94 0.00 0.00 52.86 54.40 1r9x s ASN 254 Cb -0.18 -2.51 0.64 0.00 -2.00 0.00 0.00 41.25 37.20 1r9x s ASN 254 CO 0.38 -1.42 1.79 1.23 -2.94 0.00 0.00 177.10 176.15 1r9x h GLY 255 N -0.34 0.10 0.79 0.45 0.00 -1.99 -2.69 103.07 99.38 1r9x h GLY 255 Ca -0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1r9x h GLY 255 CO 0.56 0.07 -0.01 0.00 0.00 0.00 0.00 176.54 177.17 1r9x h ALA 256 N 1.55 0.22 -0.48 3.60 0.00 -2.00 -1.00 119.26 121.16 1r9x h ALA 256 Ca 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1r9x h ALA 256 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1r9x h ALA 256 CO 0.05 -0.06 0.12 -0.92 0.00 0.00 0.00 179.25 178.45 1r9x h TYR 257 N 0.03 0.80 -0.97 0.00 3.20 -1.96 -2.35 116.97 115.72 1r9x h TYR 257 Ca 0.04 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1r9x h TYR 257 Cb 0.41 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 1r9x h TYR 257 CO 0.04 0.72 0.63 1.15 -1.64 0.00 0.00 178.16 179.06 1r9x h THR 258 N 0.65 1.14 -0.57 1.81 2.02 -1.37 0.16 112.91 116.75 1r9x h THR 258 Ca 0.15 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1r9x h THR 258 Cb 0.32 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 1r9x h THR 258 CO 0.00 0.22 0.23 -1.28 0.37 0.00 0.00 175.52 175.06 1r9x h SER 259 N 1.20 0.78 -0.23 4.18 0.87 -0.93 0.08 113.55 119.50 1r9x h SER 259 Ca 0.39 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1r9x h SER 259 Cb 0.04 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1r9x h SER 259 CO -0.14 0.73 0.07 -0.09 -0.53 0.00 0.00 176.83 176.87 1r9x h ARG 260 N 0.77 0.35 -0.77 2.24 1.12 -0.84 -3.05 114.38 114.21 1r9x h ARG 260 Ca 0.19 -0.08 0.05 0.00 -1.11 0.00 0.00 59.98 59.03 1r9x h ARG 260 Cb 0.19 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.05 1r9x h ARG 260 CO -0.02 0.45 0.47 1.25 -3.11 0.00 0.00 179.97 179.01 1r9x h LEU 261 N 0.19 0.74 -1.75 3.80 5.85 -0.44 -2.77 115.31 120.95 1r9x h LEU 261 Ca 0.07 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1r9x h LEU 261 Cb 0.24 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1r9x h LEU 261 CO -0.00 0.49 0.39 -0.26 -0.34 0.00 0.00 178.44 178.71 1r9x h PHE 262 N 0.88 0.30 -0.36 1.25 0.05 -0.87 -0.72 116.94 117.48 1r9x h PHE 262 Ca 0.33 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.13 1r9x h PHE 262 Cb 0.12 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 37.96 1r9x h PHE 262 CO -0.05 0.14 0.23 -0.09 -0.18 0.00 0.00 178.31 178.36 1r9x h ARG 263 N 0.28 0.48 -0.47 1.51 2.43 -1.53 -1.19 114.38 115.89 1r9x h ARG 263 Ca 0.27 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1r9x h ARG 263 Cb 0.67 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1r9x h ARG 263 CO -0.06 0.34 0.06 1.25 -1.51 0.00 0.00 179.97 180.05 1r9x h LEU 264 N 0.47 0.77 -0.61 3.80 5.85 -1.30 -1.65 115.31 122.65 1r9x h LEU 264 Ca 0.13 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1r9x h LEU 264 Cb -0.02 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1r9x h LEU 264 CO -0.03 0.85 0.35 -0.07 -0.34 0.00 0.00 178.44 179.20 1r9x h LEU 265 N 0.66 0.54 -0.11 2.25 3.38 -0.83 0.13 115.31 121.32 1r9x h LEU 265 Ca 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1r9x h LEU 265 Cb 0.42 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1r9x h LEU 265 CO 0.01 0.36 0.01 0.50 0.09 0.00 0.00 178.44 179.41 1r9x h LYS 266 N 0.67 0.20 -0.51 1.13 1.63 -1.11 -2.82 116.57 115.76 1r9x h LYS 266 Ca 0.26 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1r9x h LYS 266 Cb 0.10 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1r9x h LYS 266 CO -0.14 0.43 0.24 0.52 -3.45 0.00 0.00 179.45 177.05 1r9x h MET 267 N -0.06 0.71 -0.01 1.90 2.86 -0.96 -2.82 114.93 116.55 1r9x h MET 267 Ca 0.03 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1r9x h MET 267 Cb 0.34 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1r9x h MET 267 CO 0.00 0.55 -0.51 0.66 1.06 0.00 0.00 176.91 178.67 1r9x h SER 268 N 0.71 0.03 -0.10 1.22 4.64 -0.65 -3.47 113.55 115.92 1r9x h SER 268 Ca 0.18 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1r9x h SER 268 Cb 0.08 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1r9x h SER 268 CO -0.02 0.53 -0.04 0.61 -0.87 0.00 0.00 176.83 177.04 1r9x n GLY 269 N -0.05 0.52 3.80 -0.77 0.00 -1.07 -3.78 105.19 103.84 1r9x n GLY 269 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1r9x n GLY 269 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r9x s ILE 270 N -1.86 3.21 0.16 -0.61 -4.36 -1.25 -3.84 121.20 112.64 1r9x s ILE 270 Ca 0.00 0.39 0.03 0.00 -0.26 0.00 0.00 60.65 60.81 1r9x s ILE 270 Cb 0.00 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1r9x s ILE 270 CO 0.00 -0.51 0.27 0.20 0.24 0.00 0.00 174.94 175.14 1r9x s ASN 271 N -3.87 6.25 -0.03 4.36 0.01 -0.09 -4.46 114.94 117.11 1r9x s ASN 271 Ca 0.60 0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.92 1r9x s ASN 271 Cb -0.14 -1.86 -0.00 0.00 0.41 0.00 0.00 41.25 39.66 1r9x s ASN 271 CO 0.54 0.05 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.68 1r9x s PHE 272 N -1.76 1.35 -0.11 2.20 0.08 -0.38 -0.39 117.98 118.97 1r9x s PHE 272 Ca 0.34 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1r9x s PHE 272 Cb -0.11 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 1r9x s PHE 272 CO 0.28 -0.10 -0.23 0.08 -0.10 0.00 0.00 175.22 175.15 1r9x s VAL 273 N -0.03 2.12 0.02 -0.44 1.01 -0.97 -1.14 120.40 120.97 1r9x s VAL 273 Ca -0.01 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1r9x s VAL 273 Cb -0.09 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1r9x s VAL 273 CO 0.01 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 1r9x s ALA 274 N 0.48 2.98 -0.62 5.51 0.00 -0.03 -0.21 121.76 129.87 1r9x s ALA 274 Ca -0.15 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1r9x s ALA 274 Cb -0.17 -1.08 0.19 0.00 0.00 0.00 0.00 23.12 22.06 1r9x s ALA 274 CO 0.06 0.62 0.50 0.09 0.00 0.00 0.00 175.76 177.03 1r9x n ASN 275 N 1.45 2.25 -0.29 0.00 3.02 -1.26 -1.18 115.26 119.25 1r9x n ASN 275 Ca -0.15 -3.05 0.05 0.00 -0.03 0.00 0.00 54.58 51.40 1r9x n ASN 275 Cb 0.52 -0.70 0.14 0.00 -0.61 0.00 0.00 39.78 39.14 1r9x n ASN 275 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1r9x h PRO 276 N 5.18 0.02 -0.52 3.52 0.11 -1.88 0.15 132.00 138.58 1r9x h PRO 276 Ca 0.18 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1r9x h PRO 276 Cb 0.78 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1r9x h PRO 276 CO 0.65 0.02 0.18 -0.07 -0.21 0.00 0.00 178.00 178.56 1r9x h LEU 277 N 0.02 0.75 0.15 2.35 3.38 -1.86 -2.27 115.31 117.83 1r9x h LEU 277 Ca 0.43 -0.19 -0.27 0.00 0.09 0.00 0.00 57.88 57.94 1r9x h LEU 277 Cb 0.72 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.30 1r9x h LEU 277 CO -0.82 0.74 -1.13 0.58 0.09 0.00 0.00 178.44 177.90 1r9x h VAL 278 N 0.71 1.36 -0.55 1.22 2.07 -1.69 -3.23 116.25 116.13 1r9x h VAL 278 Ca 0.17 -2.50 0.03 0.00 0.82 0.00 0.00 66.70 65.21 1r9x h VAL 278 Cb 0.25 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1r9x h VAL 278 CO -0.01 0.74 0.32 0.78 0.02 0.00 0.00 177.57 179.43 1r9x h ASN 279 N 0.03 0.51 0.41 0.57 -0.26 -0.72 0.26 115.58 116.38 1r9x h ASN 279 Ca -0.18 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.51 1r9x h ASN 279 Cb 1.86 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 39.01 1r9x h ASN 279 CO 0.22 0.36 -0.26 -0.29 -1.06 0.00 0.00 177.43 176.39 1r9x h ILE 280 N 0.63 0.97 0.01 2.81 6.09 -1.53 -0.56 117.51 125.93 1r9x h ILE 280 Ca 0.22 -0.97 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 1r9x h ILE 280 Cb 0.04 1.56 0.00 0.00 0.47 0.00 0.00 36.82 38.89 1r9x h ILE 280 CO -0.11 0.26 -0.08 -0.74 -3.07 0.00 0.00 178.15 174.41 1r9x h HIS 281 N 0.00 0.05 0.00 2.19 2.76 -1.33 -3.39 115.15 115.43 1r9x h HIS 281 Ca -0.00 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 1r9x h HIS 281 Cb 0.54 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1r9x h HIS 281 CO 0.00 1.01 -0.93 -0.07 -1.30 0.00 0.00 177.93 176.64 1r9x h LEU 282 N -0.92 0.00-10.33 0.26 3.38 -0.49 -3.46 115.31 103.76 1r9x h LEU 282 Ca -0.01 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.47 1r9x h LEU 282 Cb 1.04 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.83 1r9x h LEU 282 CO 0.01 0.21 0.13 -1.10 0.09 0.00 0.00 178.44 177.79 1r9x s GLN 283 N -3.18 3.40 0.00 1.13 -1.52 -0.22 -4.06 119.66 115.21 1r9x s GLN 283 Ca 0.00 0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.58 1r9x s GLN 283 Cb 0.08 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 1r9x s GLN 283 CO 0.77 -0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.90 1r9x n GLY 284 N -2.34 0.41 0.12 3.09 0.00 -1.26 -4.88 105.19 100.32 1r9x n GLY 284 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1r9x n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9x n ARG 285 N -1.69 0.18 0.00 1.61 5.12 -1.26 -2.37 116.66 118.25 1r9x n ARG 285 Ca 0.00 0.39 0.11 0.00 -1.93 0.00 0.00 57.85 56.42 1r9x n ARG 285 Cb 0.13 -1.84 0.03 0.00 -1.16 0.00 0.00 32.46 29.63 1r9x n ARG 285 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1r9x n PHE 286 N -2.18 0.00 -2.58 -1.55 3.01 -1.26 -4.92 117.46 107.98 1r9x n PHE 286 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 1r9x n PHE 286 Cb 0.24 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1r9x n PHE 286 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1r9x s ASP 287 N -2.15 6.33 0.00 4.37 1.01 -1.00 -5.05 116.67 120.18 1r9x s ASP 287 Ca 0.21 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.53 1r9x s ASP 287 Cb 0.17 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1r9x s ASP 287 CO 0.43 -0.57 0.00 0.35 0.21 0.00 0.00 175.17 175.59 1r9x n THR 288 N -2.07 0.00 -3.74 -1.27 -2.24 -1.26 -4.98 114.28 98.73 1r9x n THR 288 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1r9x n THR 288 Cb 0.55 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 1r9x n THR 288 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r9x s TYR 289 N 0.29 -0.36 0.87 4.78 2.02 -1.26 -4.18 117.35 119.51 1r9x s TYR 289 Ca 0.00 0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 57.43 1r9x s TYR 289 Cb 0.00 0.09 0.11 0.00 -0.40 0.00 0.00 41.96 41.76 1r9x s TYR 289 CO 0.00 -0.22 1.10 -1.25 -1.57 0.00 0.00 175.55 173.61 1r9x s PRO 290 N 0.98 1.47 -0.14 -1.71 0.04 -1.26 -5.16 135.00 129.22 1r9x s PRO 290 Ca -0.07 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.11 1r9x s PRO 290 Cb -0.08 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1r9x s PRO 290 CO -0.07 -2.18 -0.21 0.21 0.04 0.00 0.00 177.00 174.80 1r9x s LYS 291 N -4.83 3.07 0.63 4.56 2.20 -1.26 -4.91 119.74 119.19 1r9x s LYS 291 Ca 0.63 -0.83 -0.15 0.00 -0.36 0.00 0.00 55.97 55.26 1r9x s LYS 291 Cb -0.19 -2.46 -0.02 0.00 -1.51 0.00 0.00 37.83 33.66 1r9x s LYS 291 CO 0.57 0.03 1.09 -0.98 -0.36 0.00 0.00 175.35 175.70 1r9x s ARG 292 N 0.73 3.04 0.01 4.03 1.70 -1.26 -4.97 118.95 122.22 1r9x s ARG 292 Ca -0.09 1.31 -0.21 0.00 -0.47 0.00 0.00 55.73 56.27 1r9x s ARG 292 Cb -0.16 -1.99 -0.18 0.00 -0.57 0.00 0.00 34.95 32.05 1r9x s ARG 292 CO 0.00 -1.05 1.21 0.00 -1.08 0.00 0.00 175.30 174.38 1r9x h ARG 293 N 0.22 0.33 0.00 3.89 3.08 -1.97 -3.39 114.38 116.55 1r9x h ARG 293 Ca -0.47 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.33 1r9x h ARG 293 Cb 1.23 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1r9x h ARG 293 CO 0.56 0.87 0.00 0.41 -1.07 0.00 0.00 179.97 180.74 1r9x n GLY 294 N 0.60 0.52 3.90 0.04 0.00 -1.26 -4.41 105.19 104.58 1r9x n GLY 294 Ca -0.08 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1r9x n GLY 294 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9x s ILE 295 N -2.00 5.36 1.22 -0.61 1.01 -1.26 -4.66 121.20 120.25 1r9x s ILE 295 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 1r9x s ILE 295 Cb 0.00 -3.59 0.30 0.00 0.01 0.00 0.00 42.46 39.19 1r9x s ILE 295 CO 0.00 0.23 1.01 0.28 0.00 0.00 0.00 174.94 176.46 1r9x s THR 296 N -1.43 1.87 -1.28 2.92 -1.32 -1.26 -4.33 115.64 110.81 1r9x s THR 296 Ca 0.32 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.69 1r9x s THR 296 Cb -0.13 -2.08 -0.06 0.00 -1.51 0.00 0.00 72.50 68.72 1r9x s THR 296 CO 0.22 0.00 2.46 0.54 -2.21 0.00 0.00 174.62 175.63 1r9x n ARG 297 N -5.06 2.81 -0.00 7.08 1.74 -1.26 -4.71 116.66 117.25 1r9x n ARG 297 Ca 0.04 -1.99 -0.09 0.00 -0.77 0.00 0.00 57.85 55.04 1r9x n ARG 297 Cb 0.55 -2.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.18 1r9x n ARG 297 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1r9x h VAL 298 N 3.47 0.70 -0.47 1.55 2.07 -1.96 -0.79 116.25 120.82 1r9x h VAL 298 Ca 0.66 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.21 1r9x h VAL 298 Cb 0.34 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1r9x h VAL 298 CO 1.72 0.00 0.24 0.50 0.02 0.00 0.00 177.57 180.04 1r9x h LYS 299 N -0.12 0.45 -0.34 1.57 3.64 -1.85 -1.02 116.57 118.90 1r9x h LYS 299 Ca 0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1r9x h LYS 299 Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1r9x h LYS 299 CO -0.20 0.30 -0.16 0.93 -2.27 0.00 0.00 179.45 178.05 1r9x h GLU 300 N 0.47 0.62 -0.34 1.90 3.07 -1.90 -1.52 114.58 116.86 1r9x h GLU 300 Ca 0.20 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1r9x h GLU 300 Cb 0.11 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1r9x h GLU 300 CO -0.14 0.75 0.15 0.52 -1.40 0.00 0.00 179.01 178.89 1r9x h MET 301 N 0.56 0.51 -0.72 2.33 2.86 -0.57 -0.81 114.93 119.09 1r9x h MET 301 Ca 0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1r9x h MET 301 Cb 0.60 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1r9x h MET 301 CO 0.04 0.48 0.43 -0.07 1.06 0.00 0.00 176.91 178.85 1r9x h LEU 302 N 0.41 0.86 -1.60 1.22 3.38 -0.96 0.39 115.31 119.01 1r9x h LEU 302 Ca 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1r9x h LEU 302 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1r9x h LEU 302 CO -0.01 0.67 -0.22 -0.33 0.09 0.00 0.00 178.44 178.64 1r9x h GLU 303 N 0.98 0.00 -0.02 1.13 5.08 -0.99 -2.52 114.58 118.24 1r9x h GLU 303 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1r9x h GLU 303 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1r9x h GLU 303 CO -0.05 0.22 -0.12 0.43 -1.00 0.00 0.00 179.01 178.49 1r9x n SER 304 N -3.97 1.82 -0.20 1.42 7.64 -0.33 -4.95 113.62 115.05 1r9x n SER 304 Ca -0.02 -1.49 -0.02 0.00 1.01 0.00 0.00 58.87 58.35 1r9x n SER 304 Cb 0.30 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1r9x n SER 304 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r9x n GLY 305 N 1.29 0.54 3.73 0.23 0.00 -0.39 -5.00 105.19 105.57 1r9x n GLY 305 Ca 0.15 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1r9x n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9x s ILE 306 N -2.10 5.14 -0.12 -0.61 1.01 -0.01 -5.02 121.20 119.49 1r9x s ILE 306 Ca 0.00 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.41 1r9x s ILE 306 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1r9x s ILE 306 CO 0.00 0.32 1.49 0.21 0.00 0.00 0.00 174.94 176.97 1r9x s ASN 307 N 0.57 6.73 0.03 3.58 2.47 -1.26 -4.22 114.94 122.84 1r9x s ASN 307 Ca 0.28 1.92 0.02 0.00 0.42 0.00 0.00 52.86 55.51 1r9x s ASN 307 Cb -0.16 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.09 1r9x s ASN 307 CO 0.12 -0.91 -0.08 0.54 -3.72 0.00 0.00 177.10 173.05 1r9x s VAL 308 N 4.01 0.59 0.30 -5.21 0.11 -1.26 -1.25 120.40 117.69 1r9x s VAL 308 Ca 0.66 -0.89 -0.06 0.00 -2.93 0.00 0.00 61.98 58.75 1r9x s VAL 308 Cb -0.27 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1r9x s VAL 308 CO 0.24 -0.23 0.45 0.00 -3.33 0.00 0.00 175.10 172.23 1r9x s PHE 310 N -3.48 2.71 0.28 0.00 0.08 -0.38 -0.85 117.98 116.33 1r9x s PHE 310 Ca 0.28 -0.23 0.11 0.00 0.12 0.00 0.00 56.93 57.20 1r9x s PHE 310 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1r9x s PHE 310 CO 0.15 0.13 -0.17 0.20 -0.10 0.00 0.00 175.22 175.43 1r9x s GLY 311 N -0.57 1.84 0.01 4.36 0.00 -0.32 -4.44 107.32 108.20 1r9x s GLY 311 Ca 0.08 -1.87 0.07 0.00 0.00 0.00 0.00 44.72 43.00 1r9x s GLY 311 CO 0.01 -1.93 0.87 0.84 0.00 0.00 0.00 173.10 172.89 1r9x h HIS 312 N 2.29 0.11 0.00 1.90 2.76 -1.88 -3.38 115.15 116.95 1r9x h HIS 312 Ca -0.40 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1r9x h HIS 312 Cb 1.25 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1r9x h HIS 312 CO 0.78 1.11 0.00 -3.47 -1.30 0.00 0.00 177.93 175.05 1r9x n ASP 313 N -3.23 0.00 -4.33 3.26 4.64 0.13 -4.55 116.55 112.46 1r9x n ASP 313 Ca -0.12 0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 53.01 1r9x n ASP 313 Cb 1.02 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.96 1r9x n ASP 313 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1r9x s GLY 314 N 0.00 1.38 -0.15 0.27 0.00 -1.26 -1.18 107.32 106.37 1r9x s GLY 314 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 1r9x s GLY 314 CO 0.00 -1.23 0.02 0.14 0.00 0.00 0.00 173.10 172.03 1r9x s VAL 315 N -0.94 0.50 -1.34 1.40 1.01 -1.26 -4.87 120.40 114.90 1r9x s VAL 315 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1r9x s VAL 315 Cb -0.10 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1r9x s VAL 315 CO 0.04 -0.01 0.74 0.33 0.00 0.00 0.00 175.10 176.20 1r9x n PHE 316 N 5.08 -1.97 -4.56 5.22 -0.00 -0.15 -2.08 117.46 119.00 1r9x n PHE 316 Ca -0.08 0.85 -0.27 0.00 -0.00 0.00 0.00 57.45 57.95 1r9x n PHE 316 Cb 0.48 -4.34 -0.08 0.00 -0.00 0.00 0.00 39.48 35.54 1r9x n PHE 316 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1r9x s ASP 317 N -4.21 3.03 0.57 -2.13 1.47 -0.09 -1.47 116.67 113.84 1r9x s ASP 317 Ca 0.10 -1.67 0.27 0.00 1.18 0.00 0.00 52.55 52.43 1r9x s ASP 317 Cb -0.05 0.51 1.51 0.00 -0.34 0.00 0.00 42.92 44.55 1r9x s ASP 317 CO 0.81 -0.92 2.01 -0.65 0.68 0.00 0.00 175.17 177.11 1r9x h PRO 318 N 1.71 0.00 0.00 2.11 0.11 -1.85 -2.81 132.00 131.27 1r9x h PRO 318 Ca -0.37 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.51 1r9x h PRO 318 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1r9x h PRO 318 CO 0.60 0.00 -1.87 0.91 -0.21 0.00 0.00 178.00 177.43 1r9x n TRP 319 N -3.98 0.52 -3.55 0.65 8.01 -1.26 -4.50 117.44 113.33 1r9x n TRP 319 Ca 0.06 0.18 -0.28 0.00 -1.31 0.00 0.00 57.50 56.14 1r9x n TRP 319 Cb 0.51 -0.99 -0.15 0.00 -2.01 0.00 0.00 31.31 28.66 1r9x n TRP 319 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1r9x s TYR 320 N -2.81 0.29 -0.55 -5.99 5.04 -1.08 -4.95 117.35 107.30 1r9x s TYR 320 Ca -0.06 -0.79 0.24 0.00 -2.44 0.00 0.00 57.07 54.02 1r9x s TYR 320 Cb 0.08 -0.86 0.94 0.00 0.35 0.00 0.00 41.96 42.47 1r9x s TYR 320 CO 0.83 -0.79 1.72 -0.35 -1.34 0.00 0.00 175.55 175.63 1r9x n PRO 321 N 5.26 0.20 -0.50 4.97 -0.04 -1.11 -0.91 135.00 142.86 1r9x n PRO 321 Ca -0.06 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1r9x n PRO 321 Cb 0.43 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1r9x n PRO 321 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r9x n LEU 322 N -2.22 0.00 0.00 1.53 4.77 -1.26 -4.24 117.00 115.58 1r9x n LEU 322 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1r9x n LEU 322 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1r9x n LEU 322 CO 0.22 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1r9x n GLY 323 N 5.00 2.19 0.38 -0.72 0.00 -1.26 -0.98 105.19 109.80 1r9x n GLY 323 Ca 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1r9x n GLY 323 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r9x n THR 324 N 1.99 0.65 -3.64 2.61 -2.24 -1.26 -4.65 114.28 107.75 1r9x n THR 324 Ca 0.00 -0.82 -0.24 0.00 -2.27 0.00 0.00 64.05 60.72 1r9x n THR 324 Cb 0.00 0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1r9x n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9x n ALA 325 N -0.48 -1.35 -2.69 6.98 0.00 -1.26 -4.76 120.51 116.94 1r9x n ALA 325 Ca 0.06 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 1r9x n ALA 325 Cb 0.69 -5.19 -0.11 0.00 0.00 0.00 0.00 19.45 14.84 1r9x n ALA 325 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1r9x s ASN 326 N -3.39 5.83 0.37 0.00 3.84 -1.26 -4.67 114.94 115.66 1r9x s ASN 326 Ca 0.56 -0.63 0.12 0.00 0.21 0.00 0.00 52.86 53.11 1r9x s ASN 326 Cb -0.25 -2.07 0.70 0.00 -0.55 0.00 0.00 41.25 39.08 1r9x s ASN 326 CO 0.74 -0.28 1.83 0.24 -2.79 0.00 0.00 177.10 176.84 1r9x h MET 327 N 8.45 0.06 0.00 0.43 2.86 -1.93 -2.04 114.93 122.75 1r9x h MET 327 Ca -0.30 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 1r9x h MET 327 Cb 1.14 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1r9x h MET 327 CO 0.65 0.40 -0.26 -0.07 1.06 0.00 0.00 176.91 178.69 1r9x h LEU 328 N 0.05 0.00 -0.08 1.22 3.38 -1.95 0.28 115.31 118.21 1r9x h LEU 328 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1r9x h LEU 328 Cb 0.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1r9x h LEU 328 CO 0.05 0.26 -0.81 -0.61 0.09 0.00 0.00 178.44 177.41 1r9x h GLN 329 N 0.00 0.70 -0.28 1.13 4.15 -1.80 -0.97 115.11 118.04 1r9x h GLN 329 Ca -0.00 -0.64 -0.00 0.00 0.77 0.00 0.00 58.65 58.77 1r9x h GLN 329 Cb 0.59 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1r9x h GLN 329 CO 0.03 1.24 0.16 0.28 -1.93 0.00 0.00 178.83 178.62 1r9x h VAL 330 N 0.38 1.12 -0.46 2.39 2.07 -1.03 -2.27 116.25 118.44 1r9x h VAL 330 Ca -0.08 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1r9x h VAL 330 Cb 1.46 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1r9x h VAL 330 CO 0.16 0.12 0.28 0.25 0.02 0.00 0.00 177.57 178.40 1r9x h LEU 331 N 0.35 0.46 -0.49 2.57 5.85 -0.92 -1.28 115.31 121.84 1r9x h LEU 331 Ca 0.10 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1r9x h LEU 331 Cb 0.05 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1r9x h LEU 331 CO -0.02 0.33 0.12 -0.74 -0.34 0.00 0.00 178.44 177.79 1r9x h HIS 332 N 0.56 0.21 -0.30 1.25 2.76 -0.94 0.34 115.15 119.04 1r9x h HIS 332 Ca 0.18 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1r9x h HIS 332 Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1r9x h HIS 332 CO -0.06 0.03 0.08 1.98 -1.30 0.00 0.00 177.93 178.66 1r9x h MET 333 N 0.27 0.47 -0.76 5.26 1.85 -0.98 -2.77 114.93 118.27 1r9x h MET 333 Ca 0.24 -0.11 0.02 0.00 -0.61 0.00 0.00 59.70 59.25 1r9x h MET 333 Cb 0.31 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 1r9x h MET 333 CO -0.30 0.54 0.49 0.78 -0.40 0.00 0.00 176.91 178.02 1r9x h GLY 334 N 0.32 1.10 1.19 1.39 0.00 -0.61 -0.93 103.07 105.54 1r9x h GLY 334 Ca 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1r9x h GLY 334 CO -0.00 0.34 0.35 1.41 0.00 0.00 0.00 176.54 178.64 1r9x h LEU 335 N 0.97 0.94 0.13 3.11 3.38 -0.84 -0.30 115.31 122.71 1r9x h LEU 335 Ca 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1r9x h LEU 335 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1r9x h LEU 335 CO -0.09 0.80 -0.06 0.45 0.09 0.00 0.00 178.44 179.62 1r9x h HIS 336 N 1.04 -0.17 -0.21 1.13 3.86 -1.17 0.54 115.15 120.17 1r9x h HIS 336 Ca 0.25 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.38 1r9x h HIS 336 Cb 0.10 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1r9x h HIS 336 CO 0.01 0.27 -0.24 0.28 0.86 0.00 0.00 177.93 179.11 1r9x h VAL 337 N -0.69 1.25 -0.01 2.45 2.07 -1.13 -2.35 116.25 117.83 1r9x h VAL 337 Ca -0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1r9x h VAL 337 Cb 0.51 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1r9x h VAL 337 CO 0.03 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 177.95 1r9x n GLN 339 N -0.24 -5.96 -2.92 0.00 6.02 -0.69 -4.75 117.38 108.85 1r9x n GLN 339 Ca 0.19 0.68 -0.41 0.00 -0.01 0.00 0.00 57.00 57.46 1r9x n GLN 339 Cb 0.30 -5.52 0.01 0.00 1.02 0.00 0.00 30.24 26.05 1r9x n GLN 339 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1r9x n LEU 340 N -4.54 6.48 -0.78 1.08 4.77 0.10 -4.73 117.00 119.38 1r9x n LEU 340 Ca -0.12 -5.31 0.07 0.00 -0.03 0.00 0.00 56.01 50.62 1r9x n LEU 340 Cb 0.60 -1.17 0.19 0.00 -2.33 0.00 0.00 43.42 40.71 1r9x n LEU 340 CO 0.69 1.86 0.66 0.23 -1.33 0.00 0.00 177.39 179.50 1r9x n MET 341 N 0.79 2.85 -1.91 3.23 2.81 -1.26 -3.93 117.12 119.70 1r9x n MET 341 Ca 0.33 -2.18 -0.32 0.00 -1.81 0.00 0.00 57.70 53.72 1r9x n MET 341 Cb 0.32 -1.33 0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1r9x n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1r9x s GLY 342 N -1.01 1.91 0.15 3.03 0.00 -1.26 -4.83 107.32 105.31 1r9x s GLY 342 Ca 0.28 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 45.01 1r9x s GLY 342 CO 0.19 0.52 1.65 -1.82 0.00 0.00 0.00 173.10 173.64 1r9x h TYR 343 N 0.03 -0.42 -0.50 1.90 3.20 -1.99 -0.48 116.97 118.71 1r9x h TYR 343 Ca -0.45 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.39 1r9x h TYR 343 Cb 1.21 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 1r9x h TYR 343 CO 0.61 -0.24 0.07 0.78 -1.64 0.00 0.00 178.16 177.74 1r9x h GLY 344 N -0.15 0.85 1.06 1.82 0.00 -1.98 0.24 103.07 104.91 1r9x h GLY 344 Ca 0.14 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1r9x h GLY 344 CO -0.34 0.49 0.21 1.46 0.00 0.00 0.00 176.54 178.36 1r9x h GLN 345 N 0.76 1.14 -0.11 4.80 4.20 -1.71 0.55 115.11 124.74 1r9x h GLN 345 Ca 0.16 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1r9x h GLN 345 Cb 0.36 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1r9x h GLN 345 CO 0.01 0.98 -0.14 0.82 -0.67 0.00 0.00 178.83 179.83 1r9x h ILE 346 N 1.09 1.37 -0.88 2.54 2.04 -0.77 -2.60 117.51 120.30 1r9x h ILE 346 Ca 0.23 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1r9x h ILE 346 Cb 0.33 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 1r9x h ILE 346 CO -0.00 0.39 0.57 -1.13 0.00 0.00 0.00 178.15 177.97 1r9x h ASN 347 N -0.13 0.95 0.36 1.72 -1.24 -0.78 -0.48 115.58 115.96 1r9x h ASN 347 Ca 0.01 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1r9x h ASN 347 Cb 0.69 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1r9x h ASN 347 CO 0.03 0.65 0.00 0.47 -1.29 0.00 0.00 177.43 177.29 1r9x n ASP 348 N -4.53 0.00 -0.15 1.15 8.00 0.17 -3.88 116.55 117.31 1r9x n ASP 348 Ca 0.11 -0.35 0.18 0.00 0.71 0.00 0.00 54.79 55.45 1r9x n ASP 348 Cb 0.09 -0.20 0.56 0.00 -0.02 0.00 0.00 41.12 41.56 1r9x n ASP 348 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1r9x h GLY 349 N 4.50 0.53 0.95 0.44 0.00 -0.67 -1.21 103.07 107.61 1r9x h GLY 349 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.34 1r9x h GLY 349 CO 0.00 0.03 0.39 1.41 0.00 0.00 0.00 176.54 178.37 1r9x h LEU 350 N 0.29 0.00 -1.67 3.11 3.38 -1.76 0.31 115.31 118.97 1r9x h LEU 350 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1r9x h LEU 350 Cb 1.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1r9x h LEU 350 CO -0.10 0.00 0.24 0.78 0.09 0.00 0.00 178.44 179.45 1r9x h ASN 351 N 0.00 0.38 0.59 -0.43 2.35 -1.53 -1.61 115.58 115.34 1r9x h ASN 351 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1r9x h ASN 351 Cb 1.01 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1r9x h ASN 351 CO -0.00 0.28 0.00 -0.07 -1.65 0.00 0.00 177.43 175.98 1r9x h LEU 352 N 0.45 0.00 -2.74 1.61 3.38 -1.11 -1.36 115.31 115.54 1r9x h LEU 352 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1r9x h LEU 352 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1r9x h LEU 352 CO -0.03 0.00 -0.01 2.30 0.09 0.00 0.00 178.44 180.79 1r9x n ILE 353 N -2.58 0.98 0.00 1.22 -5.35 -0.68 -1.26 119.36 111.70 1r9x n ILE 353 Ca 0.00 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1r9x n ILE 353 Cb 0.20 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1r9x n ILE 353 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1r9x n THR 354 N -0.55 0.00 -0.24 7.28 -2.24 -0.76 -2.00 114.28 115.77 1r9x n THR 354 Ca 0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1r9x n THR 354 Cb 0.34 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.72 1r9x n THR 354 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1r9x h HIS 355 N 0.00 0.46 -0.35 4.78 3.86 -1.78 -0.59 115.15 121.53 1r9x h HIS 355 Ca 0.00 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1r9x h HIS 355 Cb 0.00 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1r9x h HIS 355 CO 0.00 0.08 -0.10 0.45 0.86 0.00 0.00 177.93 179.22 1r9x h HIS 356 N 0.43 0.65 -0.07 2.45 3.86 -1.57 -1.81 115.15 119.09 1r9x h HIS 356 Ca 0.37 -0.10 -0.16 0.00 -1.16 0.00 0.00 60.37 59.32 1r9x h HIS 356 Cb 0.51 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1r9x h HIS 356 CO -0.17 0.68 -0.67 0.77 0.86 0.00 0.00 177.93 179.40 1r9x h SER 357 N 0.55 0.34 -0.67 2.45 0.02 -1.52 -1.99 113.55 112.72 1r9x h SER 357 Ca 0.10 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1r9x h SER 357 Cb 0.50 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1r9x h SER 357 CO 0.03 0.91 0.19 0.00 -1.14 0.00 0.00 176.83 176.81 1r9x h ALA 358 N 1.09 1.03 -0.63 3.77 0.00 -0.75 -1.70 119.26 122.06 1r9x h ALA 358 Ca -0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1r9x h ALA 358 Cb 1.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1r9x h ALA 358 CO 0.11 0.64 0.12 -0.09 0.00 0.00 0.00 179.25 180.03 1r9x h ARG 359 N 1.03 1.03 -0.59 0.00 2.43 -1.14 -1.44 114.38 115.71 1r9x h ARG 359 Ca 0.22 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1r9x h ARG 359 Cb 0.33 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1r9x h ARG 359 CO -0.00 0.95 0.39 1.15 -1.51 0.00 0.00 179.97 180.94 1r9x h THR 360 N 0.94 1.11 -0.10 0.20 2.02 -0.88 -0.58 112.91 115.62 1r9x h THR 360 Ca 0.19 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1r9x h THR 360 Cb 0.40 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1r9x h THR 360 CO 0.01 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.21 1r9x n LEU 361 N -4.46 1.40 -3.72 2.58 4.32 -0.68 -4.88 117.00 111.56 1r9x n LEU 361 Ca 0.06 -0.55 -0.27 0.00 -0.02 0.00 0.00 56.01 55.23 1r9x n LEU 361 Cb 0.09 -0.06 0.05 0.00 -1.62 0.00 0.00 43.42 41.87 1r9x n LEU 361 CO 0.35 0.28 0.16 -3.20 -1.22 0.00 0.00 177.39 173.76 1r9x n ASN 362 N 0.12 -5.58 -4.75 -1.43 5.15 -0.23 -4.92 115.26 103.63 1r9x n ASN 362 Ca 0.17 -0.64 -0.41 0.00 -0.60 0.00 0.00 54.58 53.10 1r9x n ASN 362 Cb 0.30 -4.42 -0.03 0.00 -0.53 0.00 0.00 39.78 35.10 1r9x n ASN 362 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r9x s LEU 363 N -7.25 4.43 0.00 1.20 1.43 -0.61 -4.94 118.68 112.94 1r9x s LEU 363 Ca 0.61 2.46 0.19 0.00 -1.03 0.00 0.00 54.13 56.36 1r9x s LEU 363 Cb -0.29 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.13 1r9x s LEU 363 CO 0.75 -0.49 0.83 0.00 0.23 0.00 0.00 176.35 177.68 1r9x n GLN 364 N 2.03 0.86 -3.49 1.70 1.13 -1.26 -4.69 117.38 113.67 1r9x n GLN 364 Ca 0.04 -0.14 -0.27 0.00 -1.94 0.00 0.00 57.00 54.69 1r9x n GLN 364 Cb 0.43 -1.39 -0.10 0.00 0.11 0.00 0.00 30.24 29.28 1r9x n GLN 364 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1r9x n ASP 365 N -1.24 0.49 -3.71 1.08 4.64 -1.26 -5.09 116.55 111.46 1r9x n ASP 365 Ca 0.04 -2.62 -0.11 0.00 -1.38 0.00 0.00 54.79 50.72 1r9x n ASP 365 Cb 0.31 -0.61 -0.11 0.00 -1.04 0.00 0.00 41.12 39.67 1r9x n ASP 365 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1r9x s TYR 366 N -0.48 -0.53 0.00 -0.67 6.14 -1.26 -4.80 117.35 115.75 1r9x s TYR 366 Ca 0.32 1.16 0.00 0.00 0.64 0.00 0.00 57.07 59.19 1r9x s TYR 366 Cb 0.04 0.21 0.00 0.00 0.42 0.00 0.00 41.96 42.63 1r9x s TYR 366 CO -0.18 -0.30 0.00 0.41 0.64 0.00 0.00 175.55 176.12 1r9x n GLY 367 N 3.94 3.55 3.52 8.97 0.00 -1.26 -4.94 105.19 118.97 1r9x n GLY 367 Ca -0.21 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1r9x n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9x s ILE 368 N -2.20 4.22 -0.06 -0.61 -1.09 -1.26 -4.84 121.20 115.36 1r9x s ILE 368 Ca 0.00 -1.00 -0.15 0.00 -2.23 0.00 0.00 60.65 57.27 1r9x s ILE 368 Cb 0.00 -4.94 0.03 0.00 -1.58 0.00 0.00 42.46 35.97 1r9x s ILE 368 CO 0.00 -1.77 0.35 0.00 -1.23 0.00 0.00 174.94 172.30 1r9x s ALA 369 N 4.15 -0.89 0.25 9.38 0.00 -1.26 -5.09 121.76 128.30 1r9x s ALA 369 Ca 0.40 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 1r9x s ALA 369 Cb -0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 23.12 22.81 1r9x s ALA 369 CO -0.08 -0.24 1.52 0.00 0.00 0.00 0.00 175.76 176.95 1r9x n ALA 370 N 1.78 1.78 0.00 0.00 0.00 -1.26 -1.94 120.51 120.87 1r9x n ALA 370 Ca -0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1r9x n ALA 370 Cb 0.56 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1r9x n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9x n GLY 371 N 2.40 3.02 3.85 0.00 0.00 0.37 -5.01 105.19 109.83 1r9x n GLY 371 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1r9x n GLY 371 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r9x s ASN 372 N 0.10 6.20 0.61 1.61 0.01 -0.82 -4.78 114.94 117.87 1r9x s ASN 372 Ca 0.00 1.49 -0.19 0.00 -0.71 0.00 0.00 52.86 53.46 1r9x s ASN 372 Cb 0.00 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1r9x s ASN 372 CO 0.00 -0.89 1.27 -0.44 -1.51 0.00 0.00 177.10 175.54 1r9x s SER 373 N -3.82 4.91 -1.44 -1.22 0.01 -1.26 -0.70 113.70 110.17 1r9x s SER 373 Ca 0.57 2.56 -0.14 0.00 1.31 0.00 0.00 55.95 60.25 1r9x s SER 373 Cb -0.11 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1r9x s SER 373 CO 0.48 -1.80 2.20 0.00 0.41 0.00 0.00 173.24 174.53 1r9x n ALA 374 N -1.66 5.40 -3.61 1.44 0.00 0.19 -4.54 120.51 117.73 1r9x n ALA 374 Ca 0.14 -3.87 -0.35 0.00 0.00 0.00 0.00 53.44 49.37 1r9x n ALA 374 Cb 0.48 -3.55 -0.14 0.00 0.00 0.00 0.00 19.45 16.25 1r9x n ALA 374 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r9x s ASN 375 N 3.29 4.55 0.13 0.00 0.01 -1.26 -1.71 114.94 119.96 1r9x s ASN 375 Ca 0.48 -0.91 -0.24 0.00 -0.71 0.00 0.00 52.86 51.48 1r9x s ASN 375 Cb 0.13 -1.71 0.08 0.00 0.41 0.00 0.00 41.25 40.16 1r9x s ASN 375 CO -0.08 -0.16 0.66 -1.48 -1.51 0.00 0.00 177.10 174.53 1r9x s LEU 376 N 1.34 -0.52 0.12 0.60 0.05 0.02 -4.25 118.68 116.04 1r9x s LEU 376 Ca -0.00 -0.02 0.05 0.00 0.05 0.00 0.00 54.13 54.21 1r9x s LEU 376 Cb -0.17 2.49 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 1r9x s LEU 376 CO -0.03 -0.91 -0.12 0.27 -0.55 0.00 0.00 176.35 175.01 1r9x s ILE 377 N -3.63 1.18 -0.16 1.48 -4.36 0.16 -0.02 121.20 115.84 1r9x s ILE 377 Ca 0.02 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1r9x s ILE 377 Cb -0.01 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.21 1r9x s ILE 377 CO -0.12 -0.50 -0.17 -0.63 0.24 0.00 0.00 174.94 173.76 1r9x s ILE 378 N -2.36 2.43 -0.13 8.37 1.01 -0.02 -1.89 121.20 128.61 1r9x s ILE 378 Ca 0.08 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1r9x s ILE 378 Cb -0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1r9x s ILE 378 CO 0.02 0.52 -0.01 -0.76 0.00 0.00 0.00 174.94 174.71 1r9x s LEU 379 N 0.96 3.46 -1.48 2.97 1.43 0.04 -0.92 118.68 125.13 1r9x s LEU 379 Ca -0.03 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1r9x s LEU 379 Cb -0.15 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1r9x s LEU 379 CO -0.03 0.25 2.37 -0.81 0.23 0.00 0.00 176.35 178.36 1r9x n PRO 380 N 2.98 3.10 -3.73 1.29 -0.04 -1.26 -1.00 135.00 136.35 1r9x n PRO 380 Ca -0.18 -2.58 -0.10 0.00 -0.04 0.00 0.00 63.50 60.60 1r9x n PRO 380 Cb 0.53 -3.15 -0.06 0.00 -0.04 0.00 0.00 33.50 30.77 1r9x n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r9x s ALA 381 N 2.75 -0.66 0.17 0.55 0.00 -1.26 -4.97 121.76 118.35 1r9x s ALA 381 Ca 0.52 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.35 1r9x s ALA 381 Cb 0.15 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1r9x s ALA 381 CO -0.08 -0.55 1.40 0.93 0.00 0.00 0.00 175.76 177.46 1r9x h GLU 382 N 2.67 0.01 0.00 0.00 5.08 -1.88 -1.99 114.58 118.47 1r9x h GLU 382 Ca -0.33 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1r9x h GLU 382 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1r9x h GLU 382 CO 0.50 0.87 0.39 0.27 -1.00 0.00 0.00 179.01 180.04 1r9x n ASN 383 N -3.52 -1.43 -0.35 1.42 0.23 -1.26 -4.78 115.26 105.56 1r9x n ASN 383 Ca -0.01 -1.82 -0.02 0.00 -0.53 0.00 0.00 54.58 52.20 1r9x n ASN 383 Cb 0.82 2.35 0.13 0.00 -2.08 0.00 0.00 39.78 41.00 1r9x n ASN 383 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1r9x h GLY 384 N 1.51 1.36 0.97 4.83 0.00 -1.92 -1.01 103.07 108.80 1r9x h GLY 384 Ca -0.22 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1r9x h GLY 384 CO 0.29 0.50 -0.01 -2.75 0.00 0.00 0.00 176.54 174.57 1r9x h PHE 385 N 1.31 -0.02 -0.57 5.60 3.57 -1.77 -0.90 116.94 124.16 1r9x h PHE 385 Ca 0.35 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1r9x h PHE 385 Cb -0.14 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1r9x h PHE 385 CO 0.00 0.02 0.29 0.22 -2.23 0.00 0.00 178.31 176.61 1r9x h ASP 386 N -0.06 0.73 -0.65 0.41 3.58 -1.90 0.16 116.42 118.71 1r9x h ASP 386 Ca -0.00 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1r9x h ASP 386 Cb 0.05 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1r9x h ASP 386 CO 0.00 0.64 0.36 0.00 -2.88 0.00 0.00 179.24 177.36 1r9x h ALA 387 N 1.12 0.83 -0.03 -0.78 0.00 -1.06 -1.73 119.26 117.61 1r9x h ALA 387 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1r9x h ALA 387 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1r9x h ALA 387 CO -0.03 0.34 -0.03 1.25 0.00 0.00 0.00 179.25 180.78 1r9x h LEU 388 N 0.88 0.08 -0.58 0.00 7.12 -0.86 -1.35 115.31 120.61 1r9x h LEU 388 Ca 0.23 -0.46 0.04 0.00 0.13 0.00 0.00 57.88 57.82 1r9x h LEU 388 Cb 0.03 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.09 1r9x h LEU 388 CO -0.04 0.53 0.32 -0.09 -0.13 0.00 0.00 178.44 179.03 1r9x h ARG 389 N -0.36 0.59 -0.02 1.25 2.43 -0.57 -2.55 114.38 115.15 1r9x h ARG 389 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1r9x h ARG 389 Cb 0.50 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1r9x h ARG 389 CO 0.01 0.39 -0.00 0.54 -1.51 0.00 0.00 179.97 179.40 1r9x n ARG 390 N -4.82 1.70 -3.95 0.20 1.74 -0.66 -4.95 116.66 105.92 1r9x n ARG 390 Ca 0.06 -1.01 -0.31 0.00 -0.77 0.00 0.00 57.85 55.82 1r9x n ARG 390 Cb 0.13 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 1r9x n ARG 390 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1r9x n GLN 391 N 0.23 -2.01 -2.12 5.56 1.13 -0.53 -4.89 117.38 114.75 1r9x n GLN 391 Ca 0.19 0.33 -0.35 0.00 -1.94 0.00 0.00 57.00 55.23 1r9x n GLN 391 Cb 0.37 -4.01 0.02 0.00 0.11 0.00 0.00 30.24 26.73 1r9x n GLN 391 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1r9x s VAL 392 N -3.83 3.13 0.90 5.09 -7.23 -1.05 -5.05 120.40 112.36 1r9x s VAL 392 Ca 0.19 0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 60.91 1r9x s VAL 392 Cb -0.08 -3.23 0.19 0.00 0.56 0.00 0.00 36.38 33.81 1r9x s VAL 392 CO 0.91 -0.19 1.23 -2.16 -0.31 0.00 0.00 175.10 174.58 1r9x s PRO 393 N -3.48 0.88 -0.38 4.82 0.04 -1.26 -5.00 135.00 130.63 1r9x s PRO 393 Ca 0.72 -0.66 -0.20 0.00 0.04 0.00 0.00 61.00 60.90 1r9x s PRO 393 Cb -0.24 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1r9x s PRO 393 CO 0.31 -2.17 0.60 0.08 0.04 0.00 0.00 177.00 175.86 1r9x s VAL 394 N -3.68 4.91 0.11 -0.36 1.01 -1.26 -4.32 120.40 116.80 1r9x s VAL 394 Ca 0.72 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 1r9x s VAL 394 Cb -0.04 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1r9x s VAL 394 CO 0.51 -0.37 1.65 -0.09 0.00 0.00 0.00 175.10 176.79 1r9x h ARG 395 N 8.58 0.43 -3.29 2.72 9.65 -1.27 -3.06 114.38 128.14 1r9x h ARG 395 Ca -0.26 -0.08 -0.18 0.00 -1.10 0.00 0.00 59.98 58.36 1r9x h ARG 395 Cb 1.11 -0.07 -0.26 0.00 -1.39 0.00 0.00 29.97 29.36 1r9x h ARG 395 CO 0.83 0.46 -0.50 0.71 2.80 0.00 0.00 179.97 184.28 1r9x s TYR 396 N -5.52 -0.19 -0.14 2.20 1.51 -1.20 -1.59 117.35 112.42 1r9x s TYR 396 Ca -0.13 0.47 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1r9x s TYR 396 Cb 0.08 0.06 0.01 0.00 -0.11 0.00 0.00 41.96 42.01 1r9x s TYR 396 CO 0.73 -0.11 -0.22 0.45 -1.11 0.00 0.00 175.55 175.29 1r9x s SER 397 N 0.02 3.08 -0.11 2.29 0.15 -0.00 -0.84 113.70 118.28 1r9x s SER 397 Ca -0.01 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.06 1r9x s SER 397 Cb -0.02 -1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1r9x s SER 397 CO 0.00 0.08 -0.17 -0.69 1.20 0.00 0.00 173.24 173.66 1r9x s VAL 398 N 0.83 2.71 -0.05 4.45 1.01 0.97 -0.68 120.40 129.64 1r9x s VAL 398 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1r9x s VAL 398 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1r9x s VAL 398 CO -0.02 0.54 -0.02 -0.60 0.00 0.00 0.00 175.10 175.00 1r9x s ARG 399 N 0.21 0.63 -1.72 2.72 3.52 0.46 -0.80 118.95 123.96 1r9x s ARG 399 Ca -0.11 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1r9x s ARG 399 Cb -0.16 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1r9x s ARG 399 CO 0.06 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1r9x n GLY 400 N 4.43 0.34 2.15 8.12 0.00 -0.72 -1.56 105.19 117.95 1r9x n GLY 400 Ca -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1r9x n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r9x n GLY 401 N -0.91 0.57 3.32 -0.02 0.00 -0.69 -4.32 105.19 103.15 1r9x n GLY 401 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1r9x n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9x s LYS 402 N -0.00 1.77 -0.11 1.61 1.02 -0.60 -4.17 119.74 119.25 1r9x s LYS 402 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 1r9x s LYS 402 Cb 0.00 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1r9x s LYS 402 CO 0.00 0.49 1.28 0.08 -0.92 0.00 0.00 175.35 176.28 1r9x s VAL 403 N -0.77 4.18 -0.75 3.17 1.01 -1.26 -0.41 120.40 125.58 1r9x s VAL 403 Ca 0.11 1.47 0.09 0.00 0.00 0.00 0.00 61.98 63.65 1r9x s VAL 403 Cb -0.10 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1r9x s VAL 403 CO 0.01 -0.08 0.55 2.30 0.00 0.00 0.00 175.10 177.89 1r9x n ILE 404 N 5.07 0.00 -3.56 2.22 -5.35 0.14 -4.95 119.36 112.93 1r9x n ILE 404 Ca 0.13 -0.38 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 1r9x n ILE 404 Cb 0.45 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 39.38 1r9x n ILE 404 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r9x s ALA 405 N -1.38 -1.84 -0.08 -1.28 0.00 -1.20 -4.95 121.76 111.03 1r9x s ALA 405 Ca 0.07 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.37 1r9x s ALA 405 Cb 0.07 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1r9x s ALA 405 CO 0.25 -0.34 0.47 -1.54 0.00 0.00 0.00 175.76 174.60 1r9x s SER 406 N -0.84 -0.42 -0.10 0.00 1.04 -1.26 -0.82 113.70 111.29 1r9x s SER 406 Ca -0.06 0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1r9x s SER 406 Cb -0.01 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1r9x s SER 406 CO 0.05 -0.39 -0.10 -0.89 0.98 0.00 0.00 173.24 172.89 1r9x s THR 407 N -0.73 1.10 -0.37 2.02 2.01 -0.62 -4.98 115.64 114.06 1r9x s THR 407 Ca -0.08 -0.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.30 1r9x s THR 407 Cb -0.03 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1r9x s THR 407 CO 0.04 0.37 0.87 -1.58 -0.69 0.00 0.00 174.62 173.64 1r9x s GLN 408 N 1.35 3.80 0.63 4.92 0.74 -1.26 -4.56 119.66 125.28 1r9x s GLN 408 Ca -0.01 0.47 -0.18 0.00 0.05 0.00 0.00 55.36 55.69 1r9x s GLN 408 Cb -0.14 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.13 1r9x s GLN 408 CO -0.05 -0.92 0.97 -2.30 -0.55 0.00 0.00 175.29 172.45 1r9x n PRO 409 N 6.64 0.81 -1.54 1.67 -0.02 -1.26 -4.96 135.00 136.35 1r9x n PRO 409 Ca 0.06 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1r9x n PRO 409 Cb 0.48 -2.20 0.08 0.00 -0.02 0.00 0.00 33.50 31.85 1r9x n PRO 409 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r9x s ALA 410 N -1.56 2.21 -0.20 3.55 0.00 -1.26 -5.01 121.76 119.49 1r9x s ALA 410 Ca 0.77 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1r9x s ALA 410 Cb -0.40 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.31 1r9x s ALA 410 CO 0.47 -1.72 -0.12 -0.65 0.00 0.00 0.00 175.76 173.74 1r9x s GLN 411 N -3.86 2.23 -0.12 0.00 -0.21 -1.26 -5.11 119.66 111.32 1r9x s GLN 411 Ca 0.74 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.23 1r9x s GLN 411 Cb -0.28 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1r9x s GLN 411 CO 0.43 -0.39 -0.05 0.99 -2.12 0.00 0.00 175.29 174.15 1r9x s THR 412 N 1.35 3.78 -0.02 -0.19 2.01 -1.26 -5.07 115.64 116.25 1r9x s THR 412 Ca -0.01 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1r9x s THR 412 Cb -0.16 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 1r9x s THR 412 CO -0.09 0.54 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.39 1r9x s THR 413 N -0.09 0.85 -0.06 -0.82 2.01 -1.26 -1.10 115.64 115.17 1r9x s THR 413 Ca 0.01 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1r9x s THR 413 Cb -0.13 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1r9x s THR 413 CO 0.03 0.25 -0.14 0.68 -0.69 0.00 0.00 174.62 174.75 1r9x s VAL 414 N -0.03 3.07 -0.75 3.82 -7.23 -0.16 -4.95 120.40 114.16 1r9x s VAL 414 Ca 0.00 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1r9x s VAL 414 Cb -0.07 -2.21 0.20 0.00 0.56 0.00 0.00 36.38 34.86 1r9x s VAL 414 CO 0.00 0.58 0.66 -0.31 -0.31 0.00 0.00 175.10 175.72 1r9x s TYR 415 N -0.53 3.64 0.00 2.82 1.51 -1.26 -0.82 117.35 122.70 1r9x s TYR 415 Ca 0.07 -2.17 0.00 0.00 -1.01 0.00 0.00 57.07 53.97 1r9x s TYR 415 Cb -0.12 -3.64 0.00 0.00 -0.11 0.00 0.00 41.96 38.10 1r9x s TYR 415 CO 0.01 -0.95 0.00 1.28 -1.11 0.00 0.00 175.55 174.79 1r9x n LEU 416 N 3.90 0.00 0.28 -1.29 4.77 -1.26 -4.86 117.00 118.53 1r9x n LEU 416 Ca 0.11 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.24 1r9x n LEU 416 Cb 0.44 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.33 1r9x n LEU 416 CO 0.34 0.00 1.01 -0.33 -1.33 0.00 0.00 177.39 177.08 1r9x h GLU 417 N 0.00 0.00 -3.67 3.23 5.08 -2.05 -3.42 114.58 113.74 1r9x h GLU 417 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1r9x h GLU 417 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 1r9x h GLU 417 CO 0.00 0.08 -0.43 -0.65 -1.00 0.00 0.00 179.01 177.01 1r9x s GLN 418 N -4.09 0.68 0.40 2.33 -1.52 -1.26 -5.14 119.66 111.05 1r9x s GLN 418 Ca -0.02 -0.71 -0.25 0.00 -1.95 0.00 0.00 55.36 52.42 1r9x s GLN 418 Cb 0.12 0.27 -0.08 0.00 -0.22 0.00 0.00 33.01 33.10 1r9x s GLN 418 CO 0.55 -0.19 1.22 -2.14 -0.25 0.00 0.00 175.29 174.48 1r9x s PRO 419 N -2.74 4.01 -0.02 2.91 0.02 -1.26 -4.65 135.00 133.27 1r9x s PRO 419 Ca -0.04 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1r9x s PRO 419 Cb -0.00 -2.70 0.03 0.00 0.02 0.00 0.00 34.50 31.84 1r9x s PRO 419 CO -0.05 -0.39 0.02 -2.00 -0.33 0.00 0.00 177.00 174.25 1r9x s GLU 420 N -2.28 0.06 0.19 5.54 2.12 -0.00 -4.94 118.70 119.39 1r9x s GLU 420 Ca 0.57 0.14 -0.30 0.00 0.36 0.00 0.00 54.97 55.74 1r9x s GLU 420 Cb -0.33 -0.30 -0.08 0.00 0.26 0.00 0.00 34.13 33.68 1r9x s GLU 420 CO 0.42 -0.14 1.03 0.00 -0.54 0.00 0.00 175.26 176.03 1r9x s ALA 421 N 0.97 3.34 -0.17 6.30 0.00 -1.26 -0.99 121.76 129.95 1r9x s ALA 421 Ca -0.09 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1r9x s ALA 421 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1r9x s ALA 421 CO -0.02 -0.06 -0.15 0.42 0.00 0.00 0.00 175.76 175.94 1r9x s ILE 422 N -0.52 2.55 -0.32 0.00 -1.09 -0.26 -4.94 121.20 116.61 1r9x s ILE 422 Ca 0.46 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1r9x s ILE 422 Cb -0.27 -2.09 0.05 0.00 -1.58 0.00 0.00 42.46 38.57 1r9x s ILE 422 CO 0.34 0.51 0.83 -0.90 -1.23 0.00 0.00 174.94 174.49 1r9x n ASP 423 N 4.35 1.74 -1.72 3.58 3.85 -1.26 -4.32 116.55 122.78 1r9x n ASP 423 Ca -0.20 -1.55 -0.17 0.00 -0.71 0.00 0.00 54.79 52.16 1r9x n ASP 423 Cb 0.51 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.21 1r9x n ASP 423 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1r9x n TYR 424 N -0.02 -0.49 -4.28 2.11 4.01 -1.26 -5.00 117.16 112.22 1r9x n TYR 424 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1r9x n TYR 424 Cb 0.19 -3.27 -0.11 0.00 -0.31 0.00 0.00 39.34 35.83 1r9x n TYR 424 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1r9x s LYS 425 N -4.30 1.89 0.00 -0.72 1.02 -1.26 -5.00 119.74 111.38 1r9x s LYS 425 Ca 0.00 -1.16 0.27 0.00 0.02 0.00 0.00 55.97 55.10 1r9x s LYS 425 Cb 0.00 -2.16 0.76 0.00 -0.52 0.00 0.00 37.83 35.91 1r9x s LYS 425 CO 0.00 0.48 1.58 2.89 -0.92 0.00 0.00 175.35 179.38