#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thg s PRO 3 N 0.00 2.25 0.20 0.00 0.04 -1.26 -4.79 135.00 131.44 1thg s PRO 3 Ca 0.00 1.63 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1thg s PRO 3 Cb 0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1thg s PRO 3 CO 0.00 -1.72 -0.03 0.95 0.04 0.00 0.00 177.00 176.24 1thg s THR 4 N -2.15 1.01 -0.04 1.26 -4.23 -1.26 -0.70 115.64 109.53 1thg s THR 4 Ca 0.71 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 1thg s THR 4 Cb -0.26 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.46 1thg s THR 4 CO 0.45 -0.48 0.40 0.00 -0.54 0.00 0.00 174.62 174.46 1thg s ALA 5 N -3.43 -1.02 -0.10 3.99 0.00 -0.88 -4.99 121.76 115.32 1thg s ALA 5 Ca 0.24 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.88 1thg s ALA 5 Cb 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 1thg s ALA 5 CO 0.05 -0.28 -0.23 0.54 0.00 0.00 0.00 175.76 175.84 1thg s VAL 6 N -1.10 2.10 0.04 0.00 0.11 -1.26 -1.28 120.40 119.01 1thg s VAL 6 Ca -0.11 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1thg s VAL 6 Cb -0.04 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1thg s VAL 6 CO 0.05 0.56 0.07 -0.76 -3.33 0.00 0.00 175.10 171.69 1thg s LEU 7 N 0.36 3.80 -1.40 2.54 1.43 0.61 -4.63 118.68 121.37 1thg s LEU 7 Ca -0.18 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1thg s LEU 7 Cb -0.18 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.74 1thg s LEU 7 CO 0.09 0.23 1.12 0.59 0.23 0.00 0.00 176.35 178.60 1thg n ASN 8 N 0.87 -5.75 0.00 2.29 3.02 -1.26 -0.91 115.26 113.52 1thg n ASN 8 Ca -0.11 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1thg n ASN 8 Cb 0.52 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 1thg n ASN 8 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1thg n GLY 9 N -1.89 1.38 0.00 7.41 0.00 -1.26 -4.34 105.19 106.48 1thg n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1thg n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1thg n ASN 10 N 0.47 0.00 -4.52 1.61 0.23 -1.08 -5.06 115.26 106.90 1thg n ASN 10 Ca 0.00 -1.00 -0.38 0.00 -0.53 0.00 0.00 54.58 52.67 1thg n ASN 10 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1thg n ASN 10 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1thg s GLU 11 N 0.00 3.74 -0.24 -3.83 2.02 -0.09 -4.94 118.70 115.37 1thg s GLU 11 Ca 0.00 -0.45 -0.13 0.00 0.02 0.00 0.00 54.97 54.41 1thg s GLU 11 Cb 0.00 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1thg s GLU 11 CO 0.00 -0.24 0.29 0.08 0.02 0.00 0.00 175.26 175.41 1thg s VAL 12 N 1.70 5.26 0.14 2.63 1.01 -1.26 -0.29 120.40 129.59 1thg s VAL 12 Ca 0.06 0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1thg s VAL 12 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1thg s VAL 12 CO 0.08 0.27 -0.06 0.27 0.00 0.00 0.00 175.10 175.66 1thg s ILE 13 N 1.40 3.50 0.16 2.22 -4.36 -0.40 -0.82 121.20 122.90 1thg s ILE 13 Ca 0.13 -1.36 0.11 0.00 -0.26 0.00 0.00 60.65 59.27 1thg s ILE 13 Cb -0.15 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 1thg s ILE 13 CO 0.07 0.01 -0.22 -0.44 0.24 0.00 0.00 174.94 174.60 1thg s SER 14 N -2.54 3.59 0.00 4.36 0.01 -0.29 -2.06 113.70 116.76 1thg s SER 14 Ca 0.24 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1thg s SER 14 Cb -0.10 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1thg s SER 14 CO 0.16 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1thg n GLY 15 N 0.51 4.99 2.87 3.44 0.00 0.12 -0.28 105.19 116.85 1thg n GLY 15 Ca -0.14 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 1thg n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1thg s VAL 16 N 2.15 0.21 -0.21 1.61 1.01 -0.10 -4.31 120.40 120.75 1thg s VAL 16 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 1thg s VAL 16 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1thg s VAL 16 CO 0.00 0.10 0.75 -0.22 0.00 0.00 0.00 175.10 175.74 1thg s LEU 17 N 0.45 4.12 -0.56 3.92 2.96 -1.26 -0.64 118.68 127.67 1thg s LEU 17 Ca -0.04 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 1thg s LEU 17 Cb -0.07 -3.08 0.14 0.00 0.50 0.00 0.00 46.19 43.68 1thg s LEU 17 CO -0.01 -0.41 0.32 -1.61 -1.32 0.00 0.00 176.35 173.32 1thg s GLU 18 N 2.40 2.14 7.19 1.98 2.02 0.36 -4.99 118.70 129.79 1thg s GLU 18 Ca 0.33 -2.69 0.00 0.00 0.02 0.00 0.00 54.97 52.63 1thg s GLU 18 Cb -0.16 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1thg s GLU 18 CO 0.09 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.65 1thg n GLY 19 N 3.04 2.47 1.25 -1.39 0.00 -1.26 -1.95 105.19 107.35 1thg n GLY 19 Ca 0.07 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.00 1thg n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1thg n LYS 20 N 7.62 3.21 -4.94 1.61 2.85 -1.26 -4.94 118.16 122.31 1thg n LYS 20 Ca 0.00 -2.97 -0.30 0.00 -1.05 0.00 0.00 58.31 53.98 1thg n LYS 20 Cb 0.00 -1.97 -0.17 0.00 -0.65 0.00 0.00 35.03 32.25 1thg n LYS 20 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1thg s VAL 21 N -2.90 1.83 -0.02 0.58 1.01 -0.82 -0.66 120.40 119.42 1thg s VAL 21 Ca 0.46 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1thg s VAL 21 Cb 0.38 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1thg s VAL 21 CO 0.10 0.51 0.71 -1.81 0.00 0.00 0.00 175.10 174.61 1thg s ASP 22 N 0.54 7.07 0.07 3.32 1.01 0.09 -0.49 116.67 128.28 1thg s ASP 22 Ca -0.15 1.28 0.09 0.00 0.71 0.00 0.00 52.55 54.48 1thg s ASP 22 Cb -0.17 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1thg s ASP 22 CO 0.05 -0.04 -0.25 0.42 0.21 0.00 0.00 175.17 175.55 1thg s THR 23 N 0.38 2.08 -0.27 -1.27 -4.23 0.19 -1.66 115.64 110.85 1thg s THR 23 Ca 0.37 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1thg s THR 23 Cb -0.19 -1.80 0.09 0.00 1.34 0.00 0.00 72.50 71.94 1thg s THR 23 CO 0.20 0.26 0.09 -0.36 -0.54 0.00 0.00 174.62 174.26 1thg s PHE 24 N -0.88 1.26 -0.00 3.99 0.40 0.00 -0.93 117.98 121.82 1thg s PHE 24 Ca 0.11 -1.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.14 1thg s PHE 24 Cb -0.10 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1thg s PHE 24 CO 0.03 -0.80 -0.05 0.15 0.70 0.00 0.00 175.22 175.25 1thg s LYS 25 N 1.77 2.62 0.00 0.44 1.02 -0.57 -0.60 119.74 124.42 1thg s LYS 25 Ca 0.07 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1thg s LYS 25 Cb -0.17 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1thg s LYS 25 CO -0.23 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1thg n GLY 26 N 1.54 0.88 3.61 -3.33 0.00 -1.11 -3.11 105.19 103.66 1thg n GLY 26 Ca -0.15 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1thg n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thg s ILE 27 N -2.86 5.06 0.27 -0.61 1.01 -0.24 -4.86 121.20 118.97 1thg s ILE 27 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1thg s ILE 27 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 1thg s ILE 27 CO 0.00 0.03 1.23 -2.16 0.00 0.00 0.00 174.94 174.04 1thg s PRO 28 N 2.32 4.47 0.00 2.79 0.04 -1.26 -0.79 135.00 142.57 1thg s PRO 28 Ca 0.21 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1thg s PRO 28 Cb -0.16 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1thg s PRO 28 CO 0.10 -0.07 0.58 1.97 0.04 0.00 0.00 177.00 179.62 1thg n PHE 29 N 1.54 0.00 -3.66 0.56 1.16 -1.07 -4.90 117.46 111.09 1thg n PHE 29 Ca 0.02 -0.12 -0.10 0.00 -1.87 0.00 0.00 57.45 55.37 1thg n PHE 29 Cb 0.43 -0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 38.25 1thg n PHE 29 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1thg s ALA 30 N -0.24 -0.97 0.55 1.98 0.00 -1.26 -4.33 121.76 117.49 1thg s ALA 30 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 1thg s ALA 30 Cb 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 1thg s ALA 30 CO 0.00 -0.72 1.16 -0.51 0.00 0.00 0.00 175.76 175.69 1thg s ASP 31 N -2.83 5.57 0.20 0.00 1.11 -0.51 -4.61 116.67 115.59 1thg s ASP 31 Ca 0.06 2.26 -0.32 0.00 0.18 0.00 0.00 52.55 54.73 1thg s ASP 31 Cb 0.00 -2.59 -0.12 0.00 1.07 0.00 0.00 42.92 41.28 1thg s ASP 31 CO -0.08 -1.33 1.69 -2.65 1.18 0.00 0.00 175.17 173.98 1thg n PRO 32 N -1.34 2.64 -1.45 8.23 -0.02 -1.26 -4.60 135.00 137.20 1thg n PRO 32 Ca 0.12 0.95 -0.36 0.00 -2.02 0.00 0.00 63.50 62.20 1thg n PRO 32 Cb 0.50 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1thg n PRO 32 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1thg n PRO 33 N 3.77 3.69 -4.22 0.52 -0.04 -1.26 -4.90 135.00 132.56 1thg n PRO 33 Ca 0.16 -2.39 -0.23 0.00 -0.04 0.00 0.00 63.50 60.99 1thg n PRO 33 Cb 0.34 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 1thg n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1thg s LEU 34 N -0.53 3.40 0.00 1.53 1.43 -1.26 -3.46 118.68 119.79 1thg s LEU 34 Ca 0.65 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1thg s LEU 34 Cb 0.21 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1thg s LEU 34 CO -0.07 0.01 0.00 0.59 0.23 0.00 0.00 176.35 177.11 1thg n ASN 35 N -0.81 0.00 0.20 2.29 5.03 -1.26 -1.14 115.26 119.58 1thg n ASN 35 Ca -0.07 0.00 0.15 0.00 0.87 0.00 0.00 54.58 55.52 1thg n ASN 35 Cb 0.58 0.00 0.64 0.00 -1.02 0.00 0.00 39.78 39.98 1thg n ASN 35 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1thg h ASP 36 N 0.00 0.00 -0.11 6.41 2.03 -1.94 -2.03 116.42 120.79 1thg h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1thg h ASP 36 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1thg h ASP 36 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1thg n LEU 37 N -2.60 2.02 -4.74 0.15 4.77 -0.29 -4.85 117.00 111.46 1thg n LEU 37 Ca 0.01 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 1thg n LEU 37 Cb 0.21 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1thg n LEU 37 CO 0.21 0.38 1.27 -0.60 -1.33 0.00 0.00 177.39 177.32 1thg s ARG 38 N -1.87 4.15 0.00 3.23 3.52 -0.76 -1.90 118.95 125.31 1thg s ARG 38 Ca 0.35 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.48 1thg s ARG 38 Cb 0.20 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1thg s ARG 38 CO 0.30 -0.65 0.00 1.19 -0.81 0.00 0.00 175.30 175.34 1thg n PHE 39 N 3.01 0.00 -3.46 5.12 3.72 -1.26 -5.00 117.46 119.59 1thg n PHE 39 Ca 0.11 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.28 1thg n PHE 39 Cb 0.37 -0.71 -0.01 0.00 -0.94 0.00 0.00 39.48 38.18 1thg n PHE 39 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1thg s LYS 40 N -0.62 3.48 0.53 -1.08 1.02 -0.80 -4.87 119.74 117.40 1thg s LYS 40 Ca 0.00 -0.39 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 1thg s LYS 40 Cb 0.00 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 1thg s LYS 40 CO 0.00 0.19 0.71 0.72 -0.92 0.00 0.00 175.35 176.05 1thg n HIS 41 N -1.73 0.00 -1.77 3.18 8.25 -1.26 -4.89 115.22 117.01 1thg n HIS 41 Ca -0.05 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 57.48 1thg n HIS 41 Cb 0.56 -2.05 -0.01 0.00 1.12 0.00 0.00 29.99 29.62 1thg n HIS 41 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1thg s PRO 42 N -2.15 4.10 0.09 -0.41 0.04 -1.26 -5.02 135.00 130.39 1thg s PRO 42 Ca 0.69 2.60 0.01 0.00 0.04 0.00 0.00 61.00 64.34 1thg s PRO 42 Cb -0.48 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1thg s PRO 42 CO 0.54 -0.61 0.22 -0.65 0.04 0.00 0.00 177.00 176.54 1thg s GLN 43 N -1.24 3.38 0.56 4.56 -1.52 -1.26 -5.01 119.66 119.13 1thg s GLN 43 Ca 0.59 -0.52 -0.21 0.00 -1.95 0.00 0.00 55.36 53.27 1thg s GLN 43 Cb -0.48 -2.98 -0.05 0.00 -0.22 0.00 0.00 33.01 29.28 1thg s GLN 43 CO 0.55 0.58 1.20 -0.35 -0.25 0.00 0.00 175.29 177.02 1thg n PRO 44 N 0.02 1.35 -2.32 2.91 -0.04 -1.26 -1.42 135.00 134.23 1thg n PRO 44 Ca -0.06 0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 1thg n PRO 44 Cb 0.52 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1thg n PRO 44 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1thg s PHE 45 N -1.36 2.82 -1.51 0.54 5.36 -1.26 -3.24 117.98 119.32 1thg s PHE 45 Ca 0.73 0.90 0.17 0.00 -0.96 0.00 0.00 56.93 57.77 1thg s PHE 45 Cb -0.43 -3.58 0.44 0.00 -0.34 0.00 0.00 43.02 39.11 1thg s PHE 45 CO 0.48 -2.08 1.36 0.25 -1.46 0.00 0.00 175.22 173.77 1thg n THR 46 N 5.00 0.90 -1.60 0.12 -2.24 -1.26 -4.91 114.28 110.29 1thg n THR 46 Ca 0.13 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1thg n THR 46 Cb 0.45 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1thg n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1thg n GLY 47 N 1.06 1.18 3.34 3.38 0.00 -1.26 -5.12 105.19 107.77 1thg n GLY 47 Ca 0.17 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1thg n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1thg s SER 48 N -1.00 3.13 0.13 1.61 0.15 -1.26 -5.02 113.70 111.44 1thg s SER 48 Ca 0.00 -0.61 0.23 0.00 0.70 0.00 0.00 55.95 56.27 1thg s SER 48 Cb 0.00 -0.27 0.10 0.00 -1.71 0.00 0.00 66.02 64.14 1thg s SER 48 CO 0.00 0.24 1.10 -1.22 1.20 0.00 0.00 173.24 174.56 1thg n TYR 49 N 1.67 0.63 -1.68 3.44 4.01 -1.26 -4.92 117.16 119.05 1thg n TYR 49 Ca -0.17 0.18 -0.52 0.00 -0.16 0.00 0.00 57.90 57.24 1thg n TYR 49 Cb 0.52 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1thg n TYR 49 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1thg n GLN 50 N -2.31 1.71 -1.00 -0.72 -0.06 -1.26 -1.33 117.38 112.41 1thg n GLN 50 Ca 0.01 0.63 -0.00 0.00 -2.00 0.00 0.00 57.00 55.64 1thg n GLN 50 Cb 0.49 -2.39 -0.00 0.00 -4.06 0.00 0.00 30.24 24.28 1thg n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1thg n GLY 51 N 4.01 0.49 3.70 1.69 0.00 0.00 -4.93 105.19 110.15 1thg n GLY 51 Ca 0.23 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1thg n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1thg s LEU 52 N -0.00 4.36 -0.72 0.99 2.96 -0.44 -4.89 118.68 120.93 1thg s LEU 52 Ca 0.00 2.43 -0.16 0.00 -0.22 0.00 0.00 54.13 56.18 1thg s LEU 52 Cb 0.00 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.28 1thg s LEU 52 CO 0.00 -0.82 0.75 -0.54 -1.32 0.00 0.00 176.35 174.43 1thg s LYS 53 N 2.09 3.33 -1.37 1.98 -0.14 -1.26 -1.14 119.74 123.24 1thg s LYS 53 Ca 0.70 -1.91 -0.15 0.00 -1.36 0.00 0.00 55.97 53.26 1thg s LYS 53 Cb -0.39 -4.44 0.07 0.00 -1.68 0.00 0.00 37.83 31.40 1thg s LYS 53 CO 0.31 -1.44 1.97 0.00 -0.76 0.00 0.00 175.35 175.43 1thg n ALA 54 N 5.24 4.72 0.00 5.17 0.00 0.62 -4.64 120.51 131.63 1thg n ALA 54 Ca 0.04 -3.94 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1thg n ALA 54 Cb 0.45 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1thg n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1thg n ASN 55 N 6.61 1.44 -3.48 0.00 0.23 -1.18 -1.51 115.26 117.37 1thg n ASN 55 Ca 0.49 -1.43 -0.13 0.00 -0.53 0.00 0.00 54.58 52.98 1thg n ASN 55 Cb 0.41 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.08 1thg n ASN 55 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1thg s ASP 56 N -0.44 -0.52 0.50 0.53 -1.08 -1.25 -4.91 116.67 109.50 1thg s ASP 56 Ca 0.00 0.09 -0.23 0.00 -0.52 0.00 0.00 52.55 51.89 1thg s ASP 56 Cb 0.00 0.56 -0.06 0.00 -1.46 0.00 0.00 42.92 41.96 1thg s ASP 56 CO 0.00 -0.87 1.38 -0.36 0.52 0.00 0.00 175.17 175.84 1thg s PHE 57 N -3.20 2.39 0.99 -5.34 0.08 -1.26 -3.32 117.98 108.32 1thg s PHE 57 Ca -0.01 1.34 -0.15 0.00 0.12 0.00 0.00 56.93 58.22 1thg s PHE 57 Cb -0.00 -3.83 0.19 0.00 -0.57 0.00 0.00 43.02 38.81 1thg s PHE 57 CO -0.08 -2.83 1.19 -1.54 -0.10 0.00 0.00 175.22 171.86 1thg s SER 58 N -0.79 2.82 0.52 1.36 1.04 -1.26 -4.89 113.70 112.50 1thg s SER 58 Ca 0.67 0.66 -0.21 0.00 0.48 0.00 0.00 55.95 57.54 1thg s SER 58 Cb -0.41 -0.98 -0.07 0.00 0.10 0.00 0.00 66.02 64.66 1thg s SER 58 CO 0.51 -2.95 1.08 -2.65 0.98 0.00 0.00 173.24 170.20 1thg n PRO 59 N -3.98 1.28 -2.20 4.02 -0.02 -1.26 -4.84 135.00 127.99 1thg n PRO 59 Ca 0.11 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1thg n PRO 59 Cb 0.59 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1thg n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thg s ALA 60 N -1.38 2.72 0.88 3.55 0.00 0.28 -4.64 121.76 123.18 1thg s ALA 60 Ca 0.70 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1thg s ALA 60 Cb -0.46 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.49 1thg s ALA 60 CO 0.51 -0.73 1.09 0.00 0.00 0.00 0.00 175.76 176.64 1thg s MET 62 N -4.94 4.24 0.26 0.00 -1.94 -1.25 -4.64 119.30 111.02 1thg s MET 62 Ca 0.63 2.33 -0.18 0.00 -1.71 0.00 0.00 55.69 56.76 1thg s MET 62 Cb -0.18 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.54 1thg s MET 62 CO 0.57 -0.53 0.62 1.14 -0.01 0.00 0.00 175.02 176.81 1thg s GLN 63 N 0.51 1.65 0.58 2.03 -2.07 -1.26 -4.60 119.66 116.50 1thg s GLN 63 Ca 0.65 -1.03 -0.14 0.00 -1.82 0.00 0.00 55.36 53.03 1thg s GLN 63 Cb -0.43 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1thg s GLN 63 CO 0.36 -0.73 1.01 -0.51 -1.32 0.00 0.00 175.29 174.10 1thg s LEU 64 N -2.93 3.41 -0.03 2.60 1.43 -1.26 -5.04 118.68 116.86 1thg s LEU 64 Ca 0.14 1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 54.47 1thg s LEU 64 Cb -0.04 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 1thg s LEU 64 CO 0.06 -0.80 0.92 -0.62 0.23 0.00 0.00 176.35 176.14 1thg s ASP 65 N -3.59 7.27 0.50 2.29 2.15 -1.26 -4.92 116.67 119.10 1thg s ASP 65 Ca 0.57 1.54 0.29 0.00 0.43 0.00 0.00 52.55 55.39 1thg s ASP 65 Cb -0.11 -2.53 1.39 0.00 -0.30 0.00 0.00 42.92 41.37 1thg s ASP 65 CO 0.43 -0.25 1.83 -0.65 -0.17 0.00 0.00 175.17 176.36 1thg h PRO 66 N 6.84 0.12 -0.83 4.34 0.11 -1.86 -1.94 132.00 138.78 1thg h PRO 66 Ca -0.40 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.93 1thg h PRO 66 Cb 1.21 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1thg h PRO 66 CO 0.76 0.08 0.58 0.78 -0.21 0.00 0.00 178.00 179.99 1thg h GLY 67 N 0.12 0.26 0.71 -0.55 0.00 -1.92 0.04 103.07 101.74 1thg h GLY 67 Ca 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.80 1thg h GLY 67 CO -0.09 -0.00 -0.20 3.43 0.00 0.00 0.00 176.54 179.68 1thg h ASN 68 N 0.12 -0.55 -0.13 0.19 4.21 -1.73 -0.17 115.58 117.53 1thg h ASN 68 Ca 0.40 0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.91 1thg h ASN 68 Cb 1.41 0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.81 1thg h ASN 68 CO -0.06 -0.29 -0.15 0.28 -1.29 0.00 0.00 177.43 175.93 1thg h SER 69 N -0.41 0.36 -0.87 5.81 0.02 -1.47 -2.41 113.55 114.58 1thg h SER 69 Ca 0.01 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1thg h SER 69 Cb 0.40 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1thg h SER 69 CO -0.08 0.78 0.43 -0.07 -1.14 0.00 0.00 176.83 176.75 1thg h LEU 70 N -0.06 1.13 -0.49 5.07 3.38 -1.00 -0.31 115.31 123.04 1thg h LEU 70 Ca 0.02 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1thg h LEU 70 Cb 0.68 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1thg h LEU 70 CO 0.04 0.94 -0.03 0.74 0.09 0.00 0.00 178.44 180.21 1thg h THR 71 N 1.23 1.27 -0.46 0.22 2.02 -1.01 0.79 112.91 116.96 1thg h THR 71 Ca 0.30 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1thg h THR 71 Cb 0.10 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1thg h THR 71 CO -0.04 0.39 0.24 -0.07 0.37 0.00 0.00 175.52 176.41 1thg h LEU 72 N 0.74 0.59 -0.69 2.58 3.38 -1.04 0.54 115.31 121.40 1thg h LEU 72 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1thg h LEU 72 Cb 0.56 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1thg h LEU 72 CO 0.03 0.53 0.41 -0.07 0.09 0.00 0.00 178.44 179.43 1thg h LEU 73 N 0.60 0.84 -0.68 1.67 3.38 -0.86 0.14 115.31 120.40 1thg h LEU 73 Ca 0.16 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1thg h LEU 73 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1thg h LEU 73 CO -0.02 0.66 0.22 -0.78 0.09 0.00 0.00 178.44 178.61 1thg h ASP 74 N 0.95 0.98 -0.53 -0.43 3.58 -0.51 0.24 116.42 120.69 1thg h ASP 74 Ca 0.25 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 1thg h ASP 74 Cb -0.01 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 1thg h ASP 74 CO -0.05 0.92 0.23 0.11 -2.88 0.00 0.00 179.24 177.57 1thg h LYS 75 N 0.99 0.79 -0.35 0.28 1.57 -0.31 0.29 116.57 119.84 1thg h LYS 75 Ca 0.22 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 1thg h LYS 75 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1thg h LYS 75 CO -0.01 0.68 -0.41 0.00 -0.57 0.00 0.00 179.45 179.14 1thg h ALA 76 N 1.07 0.62 0.00 3.86 0.00 -0.24 -3.41 119.26 121.17 1thg h ALA 76 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1thg h ALA 76 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1thg h ALA 76 CO -0.02 0.67 0.00 1.47 0.00 0.00 0.00 179.25 181.38 1thg n LEU 77 N -4.04 0.13 -2.33 0.00 -0.00 0.79 -5.08 117.00 106.46 1thg n LEU 77 Ca -0.02 -0.14 -0.03 0.00 -0.00 0.00 0.00 56.01 55.82 1thg n LEU 77 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1thg n LEU 77 CO 0.48 0.03 0.09 0.61 -0.00 0.00 0.00 177.39 178.60 1thg n GLY 78 N 0.02 -0.99 0.32 1.47 0.00 0.10 -4.65 105.19 101.47 1thg n GLY 78 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 46.02 46.60 1thg n GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1thg h LEU 79 N 0.87 0.73 -2.56 0.99 3.38 -1.81 0.49 115.31 117.40 1thg h LEU 79 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1thg h LEU 79 Cb 0.72 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1thg h LEU 79 CO 0.14 0.39 -0.02 0.00 0.09 0.00 0.00 178.44 179.04 1thg h ALA 80 N 1.50 1.18 0.15 1.53 0.00 -1.92 0.40 119.26 122.09 1thg h ALA 80 Ca 0.44 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.03 1thg h ALA 80 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1thg h ALA 80 CO -0.27 0.02 -1.54 0.87 0.00 0.00 0.00 179.25 178.33 1thg h LYS 81 N 0.00 0.31 0.05 0.00 1.57 -1.25 -3.41 116.57 113.84 1thg h LYS 81 Ca -0.00 -0.53 -0.29 0.00 -1.87 0.00 0.00 60.65 57.96 1thg h LYS 81 Cb 0.10 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1thg h LYS 81 CO 0.00 1.25 -1.57 -0.39 -0.57 0.00 0.00 179.45 178.18 1thg h VAL 82 N -0.13 1.07 -3.42 0.50 -1.51 -0.61 -3.45 116.25 108.70 1thg h VAL 82 Ca -0.32 -2.81 -0.60 0.00 -1.23 0.00 0.00 66.70 61.75 1thg h VAL 82 Cb 1.90 2.61 -0.11 0.00 -2.13 0.00 0.00 31.29 33.57 1thg h VAL 82 CO 0.11 0.73 -0.24 -0.63 -1.23 0.00 0.00 177.57 176.30 1thg s ILE 83 N -2.62 5.24 0.27 7.19 1.01 0.06 -4.20 121.20 128.15 1thg s ILE 83 Ca -0.07 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 60.94 1thg s ILE 83 Cb 0.08 -3.70 -0.14 0.00 0.01 0.00 0.00 42.46 38.71 1thg s ILE 83 CO 0.83 0.30 1.17 -2.65 0.00 0.00 0.00 174.94 174.59 1thg n PRO 84 N 4.15 1.63 -0.34 2.79 -0.02 -1.26 -4.65 135.00 137.29 1thg n PRO 84 Ca -0.09 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.15 1thg n PRO 84 Cb 0.51 -2.07 0.42 0.00 -0.02 0.00 0.00 33.50 32.35 1thg n PRO 84 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1thg h GLU 85 N 2.78 0.50 0.00 -0.52 5.08 -1.96 -0.24 114.58 120.23 1thg h GLU 85 Ca -0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1thg h GLU 85 Cb 1.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1thg h GLU 85 CO 0.66 0.33 0.00 1.05 -1.00 0.00 0.00 179.01 180.05 1thg h GLU 86 N 0.52 0.00 0.00 2.33 9.09 -2.02 -1.70 114.58 122.80 1thg h GLU 86 Ca 0.65 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.76 1thg h GLU 86 Cb 1.34 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.39 1thg h GLU 86 CO -0.46 0.00 -2.14 1.19 0.05 0.00 0.00 179.01 177.65 1thg n PHE 87 N -3.00 0.00 -0.09 2.06 3.72 -0.22 -4.54 117.46 115.39 1thg n PHE 87 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 1thg n PHE 87 Cb 0.17 -0.82 -0.04 0.00 -0.94 0.00 0.00 39.48 37.85 1thg n PHE 87 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1thg h ARG 88 N 0.00 0.74 0.31 -1.08 2.43 -0.70 -1.88 114.38 114.20 1thg h ARG 88 Ca -0.45 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.32 1thg h ARG 88 Cb 2.02 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.56 1thg h ARG 88 CO 0.02 1.03 -0.39 0.78 -1.51 0.00 0.00 179.97 179.90 1thg h GLY 89 N 0.49 -0.89 0.30 2.80 0.00 -1.58 -1.61 103.07 102.58 1thg h GLY 89 Ca 0.04 0.46 0.13 0.00 0.00 0.00 0.00 47.33 47.96 1thg h GLY 89 CO 0.08 -0.30 0.40 -2.55 0.00 0.00 0.00 176.54 174.17 1thg h PRO 90 N -0.75 0.59 -0.30 4.80 0.11 -1.79 -1.61 132.00 133.05 1thg h PRO 90 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1thg h PRO 90 Cb 0.70 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1thg h PRO 90 CO -0.11 0.39 0.16 1.25 -0.21 0.00 0.00 178.00 179.48 1thg h LEU 91 N 0.61 0.38 -1.06 2.35 5.85 -1.02 -1.76 115.31 120.67 1thg h LEU 91 Ca 0.42 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 1thg h LEU 91 Cb 0.55 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1thg h LEU 91 CO -0.33 0.37 -0.44 1.88 -0.34 0.00 0.00 178.44 179.57 1thg h TYR 92 N 0.37 0.00 -0.68 1.25 -1.99 -0.95 -2.99 116.97 111.99 1thg h TYR 92 Ca 0.11 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.76 1thg h TYR 92 Cb 0.07 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 1thg h TYR 92 CO -0.03 0.44 0.11 0.22 -0.00 0.00 0.00 178.16 178.91 1thg h ASP 93 N 0.00 1.07 1.14 3.88 3.58 -0.86 -2.47 116.42 122.76 1thg h ASP 93 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1thg h ASP 93 Cb 0.84 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1thg h ASP 93 CO 0.06 1.06 0.00 0.24 -2.88 0.00 0.00 179.24 177.71 1thg h MET 94 N 1.04 0.00 -0.01 0.28 2.86 -1.21 -3.02 114.93 114.88 1thg h MET 94 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1thg h MET 94 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1thg h MET 94 CO 0.01 0.00 -0.13 0.00 1.06 0.00 0.00 176.91 177.85 1thg n ALA 95 N -1.92 2.84 -2.54 6.32 0.00 -0.94 -1.37 120.51 122.89 1thg n ALA 95 Ca 0.03 -0.38 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 1thg n ALA 95 Cb 0.33 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 1thg n ALA 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1thg s LYS 96 N -2.31 1.91 0.00 0.00 -2.85 -1.14 -4.29 119.74 111.05 1thg s LYS 96 Ca 0.31 -2.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.13 1thg s LYS 96 Cb 0.20 -0.84 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 1thg s LYS 96 CO 0.44 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1thg n GLY 97 N -0.91 1.01 0.11 0.59 0.00 -1.26 -4.70 105.19 100.02 1thg n GLY 97 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1thg n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1thg n THR 98 N -0.23 0.78 -2.07 2.61 -1.04 -1.26 -4.93 114.28 108.14 1thg n THR 98 Ca 0.00 -0.59 -0.38 0.00 -2.04 0.00 0.00 64.05 61.04 1thg n THR 98 Cb 0.00 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1thg n THR 98 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1thg s VAL 99 N -3.24 2.67 0.94 12.58 -7.23 -1.26 -5.02 120.40 119.85 1thg s VAL 99 Ca -0.01 0.55 -0.14 0.00 -1.81 0.00 0.00 61.98 60.56 1thg s VAL 99 Cb 0.09 -3.30 0.16 0.00 0.56 0.00 0.00 36.38 33.90 1thg s VAL 99 CO 0.80 0.03 1.18 -0.94 -0.31 0.00 0.00 175.10 175.86 1thg s SER 100 N -1.01 3.24 0.07 4.85 1.04 -1.26 -4.84 113.70 115.80 1thg s SER 100 Ca 0.62 0.74 0.09 0.00 0.48 0.00 0.00 55.95 57.89 1thg s SER 100 Cb -0.35 -1.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 1thg s SER 100 CO 0.44 -2.69 -0.25 0.00 0.98 0.00 0.00 173.24 171.71 1thg s MET 101 N -5.47 1.57 -0.02 4.02 0.23 -1.26 -0.56 119.30 117.81 1thg s MET 101 Ca 0.67 -1.15 -0.29 0.00 -1.03 0.00 0.00 55.69 53.88 1thg s MET 101 Cb -0.11 -1.83 0.08 0.00 -1.53 0.00 0.00 34.83 31.43 1thg s MET 101 CO 0.53 0.46 0.70 1.21 -2.03 0.00 0.00 175.02 175.89 1thg s ASN 102 N -1.50 -0.61 0.47 -1.18 3.84 -0.35 -4.88 114.94 110.73 1thg s ASN 102 Ca 0.11 0.53 0.19 0.00 0.21 0.00 0.00 52.86 53.90 1thg s ASN 102 Cb -0.10 0.52 1.14 0.00 -0.55 0.00 0.00 41.25 42.26 1thg s ASN 102 CO 0.03 -0.65 2.01 -0.33 -2.79 0.00 0.00 177.10 175.37 1thg h GLU 103 N 2.74 0.00 -6.06 0.43 5.08 -1.95 -3.35 114.58 111.47 1thg h GLU 103 Ca -0.27 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.49 1thg h GLU 103 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1thg h GLU 103 CO 0.38 0.18 1.37 0.34 -1.00 0.00 0.00 179.01 180.27 1thg s ASP 104 N -6.70 6.45 0.00 1.42 2.15 -1.26 -4.47 116.67 114.26 1thg s ASP 104 Ca -0.03 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.61 1thg s ASP 104 Cb 0.15 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1thg s ASP 104 CO 0.66 -1.53 0.33 0.00 -0.17 0.00 0.00 175.17 174.46 1thg n LEU 106 N 0.00 5.36 -4.19 0.00 4.77 -1.26 -4.69 117.00 116.99 1thg n LEU 106 Ca 0.00 -4.23 -0.13 0.00 -0.03 0.00 0.00 56.01 51.63 1thg n LEU 106 Cb 0.45 -1.66 -0.10 0.00 -2.33 0.00 0.00 43.42 39.77 1thg n LEU 106 CO 0.00 0.57 -0.40 -0.31 -1.33 0.00 0.00 177.39 175.92 1thg s TYR 107 N 2.70 1.04 0.34 -1.77 1.51 -1.26 -2.59 117.35 117.32 1thg s TYR 107 Ca 0.48 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 1thg s TYR 107 Cb 0.02 -0.57 -0.05 0.00 -0.11 0.00 0.00 41.96 41.26 1thg s TYR 107 CO 0.03 -0.04 0.10 -0.48 -1.11 0.00 0.00 175.55 174.05 1thg s LEU 108 N -2.88 1.96 0.01 -1.29 0.05 0.03 -1.90 118.68 114.67 1thg s LEU 108 Ca 0.11 -1.49 0.00 0.00 0.05 0.00 0.00 54.13 52.80 1thg s LEU 108 Cb 0.02 -0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 43.99 1thg s LEU 108 CO -0.02 -0.77 -0.03 0.20 -0.55 0.00 0.00 176.35 175.19 1thg s ASN 109 N -3.48 0.26 -0.05 1.48 -0.87 -0.49 -1.07 114.94 110.72 1thg s ASN 109 Ca 0.33 -0.27 0.04 0.00 -1.57 0.00 0.00 52.86 51.38 1thg s ASN 109 Cb 0.06 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.33 1thg s ASN 109 CO 0.15 -0.14 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.69 1thg s VAL 110 N -0.75 1.39 -0.06 1.60 1.01 0.24 -1.84 120.40 121.99 1thg s VAL 110 Ca -0.07 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1thg s VAL 110 Cb -0.05 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1thg s VAL 110 CO -0.00 0.41 -0.15 -0.36 0.00 0.00 0.00 175.10 174.99 1thg s PHE 111 N 0.21 1.66 0.15 5.22 0.40 0.13 -0.82 117.98 124.92 1thg s PHE 111 Ca -0.07 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.57 1thg s PHE 111 Cb -0.13 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.25 1thg s PHE 111 CO 0.03 -0.24 0.33 -0.98 0.70 0.00 0.00 175.22 175.05 1thg s ARG 112 N 0.37 1.11 0.29 0.44 1.70 -0.66 -0.66 118.95 121.54 1thg s ARG 112 Ca -0.11 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 53.86 1thg s ARG 112 Cb -0.14 0.41 -0.12 0.00 -0.57 0.00 0.00 34.95 34.53 1thg s ARG 112 CO 0.04 -0.42 1.56 -2.30 -1.08 0.00 0.00 175.30 173.10 1thg n PRO 113 N -0.21 2.60 -1.68 3.89 -0.02 -1.26 -0.73 135.00 137.60 1thg n PRO 113 Ca -0.11 0.92 -0.44 0.00 -2.02 0.00 0.00 63.50 61.85 1thg n PRO 113 Cb 0.63 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1thg n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thg n ALA 114 N 1.99 1.12 -0.99 3.55 0.00 0.17 -2.01 120.51 124.33 1thg n ALA 114 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1thg n ALA 114 Cb 0.36 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1thg n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thg n GLY 115 N 1.79 0.61 3.77 0.00 0.00 -1.26 -4.97 105.19 105.13 1thg n GLY 115 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1thg n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thg s THR 116 N -2.47 2.27 0.14 2.61 2.01 -0.85 -5.01 115.64 114.34 1thg s THR 116 Ca 0.00 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1thg s THR 116 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1thg s THR 116 CO 0.00 0.06 0.19 -0.54 -0.69 0.00 0.00 174.62 173.63 1thg s LYS 117 N -2.10 3.13 0.64 4.92 -0.14 -1.26 -4.88 119.74 120.05 1thg s LYS 117 Ca 0.54 -0.72 0.31 0.00 -1.36 0.00 0.00 55.97 54.74 1thg s LYS 117 Cb -0.43 -2.80 1.69 0.00 -1.68 0.00 0.00 37.83 34.61 1thg s LYS 117 CO 0.58 0.52 1.95 -1.00 -0.76 0.00 0.00 175.35 176.63 1thg h PRO 118 N 2.48 0.00 -0.03 -1.68 0.13 -1.82 -0.73 132.00 130.35 1thg h PRO 118 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1thg h PRO 118 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1thg h PRO 118 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 1thg n ASP 119 N -2.86 1.42 0.27 1.44 5.75 -1.26 -4.03 116.55 117.28 1thg n ASP 119 Ca -0.02 -1.49 0.13 0.00 -0.01 0.00 0.00 54.79 53.40 1thg n ASP 119 Cb 0.33 -0.01 0.76 0.00 -1.03 0.00 0.00 41.12 41.17 1thg n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1thg h ALA 120 N 4.30 1.29 -6.66 2.12 0.00 -1.32 -3.47 119.26 115.53 1thg h ALA 120 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 1thg h ALA 120 Cb 0.47 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1thg h ALA 120 CO 0.00 0.12 -0.93 1.63 0.00 0.00 0.00 179.25 180.08 1thg n LYS 121 N -3.63 -2.21 -2.60 0.00 5.02 -1.04 -4.96 118.16 108.75 1thg n LYS 121 Ca -0.02 0.30 -0.39 0.00 -2.02 0.00 0.00 58.31 56.18 1thg n LYS 121 Cb 0.22 -4.07 -0.05 0.00 -0.02 0.00 0.00 35.03 31.11 1thg n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1thg s LEU 122 N -7.07 4.52 0.42 -0.35 1.43 0.16 -4.41 118.68 113.38 1thg s LEU 122 Ca 0.09 2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 1thg s LEU 122 Cb -0.04 -3.72 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 1thg s LEU 122 CO 0.92 -0.08 1.16 -2.65 0.23 0.00 0.00 176.35 175.94 1thg n PRO 123 N 1.09 1.68 -4.45 1.29 -0.02 -1.26 -0.12 135.00 133.21 1thg n PRO 123 Ca -0.00 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 1thg n PRO 123 Cb 0.46 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 1thg n PRO 123 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1thg s VAL 124 N -1.22 3.89 -0.20 -1.45 1.01 -0.45 -1.52 120.40 120.46 1thg s VAL 124 Ca 0.62 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1thg s VAL 124 Cb -0.53 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1thg s VAL 124 CO 0.58 0.53 -0.05 -0.04 0.00 0.00 0.00 175.10 176.12 1thg s MET 125 N -0.06 3.42 -0.27 2.72 -1.94 -0.38 -0.98 119.30 121.81 1thg s MET 125 Ca 0.01 -0.61 -0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1thg s MET 125 Cb -0.13 -2.97 0.02 0.00 2.01 0.00 0.00 34.83 33.76 1thg s MET 125 CO 0.03 -0.11 0.00 0.08 -0.01 0.00 0.00 175.02 175.01 1thg s VAL 126 N 1.24 3.34 -0.05 -6.03 1.01 0.73 -0.89 120.40 119.76 1thg s VAL 126 Ca 0.03 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1thg s VAL 126 Cb -0.14 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1thg s VAL 126 CO -0.01 0.13 0.57 0.86 0.00 0.00 0.00 175.10 176.64 1thg s TRP 127 N 1.39 3.61 -0.25 5.22 -0.11 0.03 -1.26 118.94 127.58 1thg s TRP 127 Ca 0.01 1.10 0.02 0.00 1.22 0.00 0.00 56.10 58.45 1thg s TRP 127 Cb -0.17 -2.61 0.06 0.00 -1.50 0.00 0.00 33.47 29.25 1thg s TRP 127 CO -0.01 0.26 -0.10 0.42 -4.62 0.00 0.00 176.95 172.90 1thg s ILE 128 N 0.19 2.00 0.97 5.86 1.01 0.02 -3.19 121.20 128.07 1thg s ILE 128 Ca 0.30 -1.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 1thg s ILE 128 Cb -0.17 -2.15 0.17 0.00 0.01 0.00 0.00 42.46 40.32 1thg s ILE 128 CO 0.15 -0.05 1.10 -0.72 0.00 0.00 0.00 174.94 175.42 1thg s TYR 129 N 1.18 2.20 0.00 3.97 -0.85 -1.26 -3.73 117.35 118.86 1thg s TYR 129 Ca -0.08 1.00 0.00 0.00 -0.52 0.00 0.00 57.07 57.47 1thg s TYR 129 Cb -0.20 -3.27 0.00 0.00 0.38 0.00 0.00 41.96 38.88 1thg s TYR 129 CO -0.05 -2.75 0.00 0.41 -1.52 0.00 0.00 175.55 171.64 1thg n GLY 130 N -1.27 0.00 3.71 5.49 0.00 -1.19 -2.91 105.19 109.01 1thg n GLY 130 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1thg n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thg s GLY 131 N 0.00 2.27 0.54 -0.02 0.00 -1.25 -1.35 107.32 107.51 1thg s GLY 131 Ca 0.00 0.81 0.21 0.00 0.00 0.00 0.00 44.72 45.74 1thg s GLY 131 CO 0.00 2.13 2.12 0.00 0.00 0.00 0.00 173.10 177.35 1thg h ALA 132 N 7.04 2.04 -0.02 3.20 0.00 -1.94 -3.05 119.26 126.53 1thg h ALA 132 Ca -0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1thg h ALA 132 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1thg h ALA 132 CO 0.84 -0.18 -0.02 1.19 0.00 0.00 0.00 179.25 181.07 1thg n PHE 133 N -4.35 0.07 -4.64 0.00 3.72 -1.26 -4.86 117.46 106.14 1thg n PHE 133 Ca 0.00 -1.02 -0.34 0.00 -0.05 0.00 0.00 57.45 56.05 1thg n PHE 133 Cb 0.23 -0.17 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 1thg n PHE 133 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1thg s VAL 134 N -2.89 3.63 -0.07 -4.37 1.01 -1.16 -3.95 120.40 112.59 1thg s VAL 134 Ca 0.33 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1thg s VAL 134 Cb 0.29 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1thg s VAL 134 CO 0.03 0.58 -0.08 -0.47 0.00 0.00 0.00 175.10 175.16 1thg s TYR 135 N -0.82 2.91 0.00 5.22 5.04 -0.47 -4.77 117.35 124.46 1thg s TYR 135 Ca 0.13 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1thg s TYR 135 Cb -0.11 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.48 1thg s TYR 135 CO 0.02 0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.91 1thg n GLY 136 N 2.35 0.55 7.00 8.97 0.00 -1.26 -4.43 105.19 118.37 1thg n GLY 136 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1thg n GLY 136 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1thg n SER 137 N 0.00 0.00 0.30 1.61 7.64 -1.26 -2.08 113.62 119.83 1thg n SER 137 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.06 1thg n SER 137 Cb 0.00 0.00 0.94 0.00 -1.01 0.00 0.00 64.21 64.14 1thg n SER 137 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1thg h SER 138 N 2.87 0.00 0.36 6.43 4.64 -1.95 -2.37 113.55 123.52 1thg h SER 138 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1thg h SER 138 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1thg h SER 138 CO 0.00 0.03 -0.07 0.00 -0.87 0.00 0.00 176.83 175.92 1thg h ALA 139 N 1.97 1.22 -0.00 5.18 0.00 -1.77 -1.90 119.26 123.95 1thg h ALA 139 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1thg h ALA 139 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1thg h ALA 139 CO 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 1thg n ALA 140 N -2.22 2.69 -2.95 0.00 0.00 -0.89 -4.41 120.51 112.73 1thg n ALA 140 Ca -0.02 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 1thg n ALA 140 Cb 0.20 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1thg n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1thg n TYR 141 N -0.81 2.82 -1.73 0.00 4.01 -0.71 -5.00 117.16 115.74 1thg n TYR 141 Ca 0.18 -3.81 -0.42 0.00 -0.16 0.00 0.00 57.90 53.68 1thg n TYR 141 Cb 0.24 -0.43 -0.01 0.00 -0.31 0.00 0.00 39.34 38.84 1thg n TYR 141 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1thg n PRO 142 N -0.12 2.38 -0.03 -0.72 -0.04 -1.26 -4.89 135.00 130.32 1thg n PRO 142 Ca 0.29 0.84 0.12 0.00 -0.04 0.00 0.00 63.50 64.70 1thg n PRO 142 Cb 0.51 -2.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.02 1thg n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1thg n GLY 143 N 0.94 -0.39 0.36 0.55 0.00 -1.26 -4.37 105.19 101.01 1thg n GLY 143 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 1thg n GLY 143 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1thg h ASN 144 N 1.15 1.06 -0.38 1.61 4.21 -1.97 -1.30 115.58 119.96 1thg h ASN 144 Ca 0.00 -0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.39 1thg h ASN 144 Cb 0.25 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1thg h ASN 144 CO 0.00 0.74 -0.18 0.77 -1.29 0.00 0.00 177.43 177.48 1thg h SER 145 N 1.24 0.81 -0.33 5.81 4.64 -1.87 -0.01 113.55 123.83 1thg h SER 145 Ca 0.37 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1thg h SER 145 Cb -0.06 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 1thg h SER 145 CO -0.10 1.03 0.21 1.88 -0.87 0.00 0.00 176.83 178.98 1thg h TYR 146 N 0.59 0.44 -0.33 4.77 0.05 -1.78 -1.32 116.97 119.39 1thg h TYR 146 Ca 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1thg h TYR 146 Cb 0.72 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 1thg h TYR 146 CO 0.06 0.30 0.04 0.28 -1.05 0.00 0.00 178.16 177.79 1thg h VAL 147 N 0.44 1.24 -0.42 -2.88 2.07 -1.07 -1.21 116.25 114.42 1thg h VAL 147 Ca 0.12 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1thg h VAL 147 Cb -0.01 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1thg h VAL 147 CO -0.02 0.28 0.24 0.50 0.02 0.00 0.00 177.57 178.59 1thg h LYS 148 N 0.38 0.48 -0.41 1.57 3.64 -0.93 -2.08 116.57 119.22 1thg h LYS 148 Ca 0.10 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1thg h LYS 148 Cb 0.37 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1thg h LYS 148 CO 0.01 0.32 -0.13 1.49 -2.27 0.00 0.00 179.45 178.87 1thg h GLU 149 N 0.49 0.74 -0.05 1.90 4.57 -1.16 -1.97 114.58 119.10 1thg h GLU 149 Ca 0.17 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1thg h GLU 149 Cb 0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1thg h GLU 149 CO -0.08 0.84 -0.19 0.66 -1.18 0.00 0.00 179.01 179.05 1thg h SER 150 N 0.67 0.08 -0.00 1.04 4.64 -0.57 -1.09 113.55 118.31 1thg h SER 150 Ca 0.11 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1thg h SER 150 Cb 0.60 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1thg h SER 150 CO 0.04 0.28 -0.00 0.40 -0.87 0.00 0.00 176.83 176.68 1thg h ILE 151 N 0.08 1.40 -0.79 0.95 2.04 -0.97 0.71 117.51 120.93 1thg h ILE 151 Ca 0.01 -1.18 0.11 0.00 1.00 0.00 0.00 64.86 64.80 1thg h ILE 151 Cb 0.39 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 1thg h ILE 151 CO 0.03 0.31 0.52 0.78 0.00 0.00 0.00 178.15 179.78 1thg h ASN 152 N -0.50 0.61 0.86 1.72 4.21 -0.96 -0.64 115.58 120.87 1thg h ASN 152 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1thg h ASN 152 Cb 0.51 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1thg h ASN 152 CO 0.00 0.35 0.00 0.23 -1.29 0.00 0.00 177.43 176.72 1thg n MET 153 N -4.51 0.15 -1.45 0.81 2.81 -0.45 -4.90 117.12 109.57 1thg n MET 153 Ca 0.14 0.30 -0.07 0.00 -1.81 0.00 0.00 57.70 56.26 1thg n MET 153 Cb 0.37 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.12 1thg n MET 153 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1thg n GLY 154 N 0.41 0.69 2.51 3.03 0.00 -0.25 -4.95 105.19 106.63 1thg n GLY 154 Ca 0.04 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 1thg n GLY 154 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1thg n GLN 155 N -2.49 1.86 -1.71 1.61 6.02 0.21 -5.03 117.38 117.84 1thg n GLN 155 Ca -0.07 -3.84 -0.42 0.00 -0.01 0.00 0.00 57.00 52.65 1thg n GLN 155 Cb 0.32 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 1thg n GLN 155 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1thg n PRO 156 N -0.02 2.21 -4.44 -1.09 -0.04 -1.10 -4.67 135.00 125.84 1thg n PRO 156 Ca 0.25 0.78 -0.21 0.00 -0.04 0.00 0.00 63.50 64.27 1thg n PRO 156 Cb 0.63 -2.38 -0.11 0.00 -0.04 0.00 0.00 33.50 31.61 1thg n PRO 156 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1thg s VAL 157 N -1.04 1.37 -0.14 0.52 -7.23 -1.26 -4.28 120.40 108.33 1thg s VAL 157 Ca 0.56 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1thg s VAL 157 Cb -0.56 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 1thg s VAL 157 CO 0.62 -0.12 0.06 -0.69 -0.31 0.00 0.00 175.10 174.65 1thg s VAL 158 N -3.18 4.75 -0.12 1.32 1.01 -0.57 -4.36 120.40 119.25 1thg s VAL 158 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1thg s VAL 158 Cb 0.07 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1thg s VAL 158 CO 0.14 0.53 -0.03 0.12 0.00 0.00 0.00 175.10 175.86 1thg s PHE 159 N -0.22 3.05 -0.04 5.22 2.19 0.16 -1.25 117.98 127.09 1thg s PHE 159 Ca 0.08 -0.07 0.05 0.00 0.33 0.00 0.00 56.93 57.31 1thg s PHE 159 Cb -0.12 -1.86 -0.01 0.00 -1.31 0.00 0.00 43.02 39.72 1thg s PHE 159 CO 0.01 0.19 -0.18 0.08 1.83 0.00 0.00 175.22 177.16 1thg s VAL 160 N -0.24 1.50 0.06 3.12 1.01 -0.07 -0.69 120.40 125.10 1thg s VAL 160 Ca 0.05 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1thg s VAL 160 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1thg s VAL 160 CO 0.02 0.43 -0.25 -0.94 0.00 0.00 0.00 175.10 174.36 1thg s SER 161 N -0.08 3.05 -0.04 3.32 1.04 -0.76 -0.79 113.70 119.44 1thg s SER 161 Ca -0.01 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 55.86 1thg s SER 161 Cb -0.11 -0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1thg s SER 161 CO 0.02 0.23 -0.19 -0.63 0.98 0.00 0.00 173.24 173.64 1thg s ILE 162 N -0.85 1.54 0.26 -1.02 1.01 -1.19 -1.39 121.20 119.56 1thg s ILE 162 Ca 0.11 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1thg s ILE 162 Cb -0.10 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 40.98 1thg s ILE 162 CO 0.03 0.44 0.68 0.20 0.00 0.00 0.00 174.94 176.28 1thg s ASN 163 N -0.13 6.82 0.06 3.58 -0.87 -0.80 -4.64 114.94 118.96 1thg s ASN 163 Ca -0.01 1.23 -0.12 0.00 -1.57 0.00 0.00 52.86 52.39 1thg s ASN 163 Cb -0.11 -2.35 0.01 0.00 -0.02 0.00 0.00 41.25 38.79 1thg s ASN 163 CO 0.02 -0.09 0.27 -0.72 -2.57 0.00 0.00 177.10 174.00 1thg s TYR 164 N -1.78 -0.03 0.04 2.20 1.13 -1.26 -4.68 117.35 112.96 1thg s TYR 164 Ca 0.48 -0.19 -0.30 0.00 -1.41 0.00 0.00 57.07 55.65 1thg s TYR 164 Cb -0.12 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.75 1thg s TYR 164 CO 0.19 -0.51 1.00 1.03 -2.51 0.00 0.00 175.55 174.75 1thg s ARG 165 N -2.91 4.58 0.46 -3.49 0.52 -1.26 -4.80 118.95 112.05 1thg s ARG 165 Ca -0.02 1.47 0.06 0.00 -0.52 0.00 0.00 55.73 56.71 1thg s ARG 165 Cb 0.00 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 1thg s ARG 165 CO -0.06 -0.01 0.19 0.95 0.02 0.00 0.00 175.30 176.39 1thg s THR 166 N 0.75 1.89 0.00 0.02 -4.23 -1.26 -4.08 115.64 108.73 1thg s THR 166 Ca 0.51 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1thg s THR 166 Cb -0.23 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1thg s THR 166 CO 0.29 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1thg n GLY 167 N -1.35 0.24 0.30 3.99 0.00 -1.26 -2.66 105.19 104.44 1thg n GLY 167 Ca -0.05 -0.91 0.19 0.00 0.00 0.00 0.00 46.02 45.25 1thg n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1thg h PRO 168 N 0.00 0.00 -0.00 1.61 0.13 -1.89 -0.38 132.00 131.47 1thg h PRO 168 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1thg h PRO 168 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1thg h PRO 168 CO 0.00 0.02 -0.59 0.74 -0.23 0.00 0.00 178.00 177.93 1thg h PHE 169 N 0.00 0.01 -0.00 1.56 0.04 -1.90 -2.99 116.94 113.66 1thg h PHE 169 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1thg h PHE 169 Cb 0.27 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1thg h PHE 169 CO 0.00 0.60 -0.40 0.41 -0.60 0.00 0.00 178.31 178.31 1thg n GLY 170 N 0.18 0.16 2.79 -1.45 0.00 -0.93 -4.32 105.19 101.62 1thg n GLY 170 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 1thg n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1thg n PHE 171 N -1.17 0.55 -0.22 1.61 3.72 -0.20 -0.45 117.46 121.31 1thg n PHE 171 Ca 0.02 -2.10 -0.01 0.00 -0.05 0.00 0.00 57.45 55.30 1thg n PHE 171 Cb 0.14 0.14 0.10 0.00 -0.94 0.00 0.00 39.48 38.91 1thg n PHE 171 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1thg h LEU 172 N 2.32 0.49 0.00 4.37 5.85 -1.70 -3.39 115.31 123.24 1thg h LEU 172 Ca -0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1thg h LEU 172 Cb 1.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1thg h LEU 172 CO 0.13 0.31 0.00 0.61 -0.34 0.00 0.00 178.44 179.15 1thg n GLY 173 N -1.28 -1.20 0.00 3.75 0.00 -1.26 -4.59 105.19 100.60 1thg n GLY 173 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1thg n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thg n GLY 174 N 0.00 -0.47 0.27 -0.02 0.00 -1.26 -4.15 105.19 99.56 1thg n GLY 174 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.30 1thg n GLY 174 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1thg h ASP 175 N 0.00 0.58 -0.26 1.61 3.32 -1.97 -1.73 116.42 117.97 1thg h ASP 175 Ca 0.00 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1thg h ASP 175 Cb 0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1thg h ASP 175 CO 0.00 0.71 -0.16 0.00 -1.72 0.00 0.00 179.24 178.07 1thg h ALA 176 N 1.36 0.37 -0.73 3.45 0.00 -1.84 -0.57 119.26 121.30 1thg h ALA 176 Ca 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1thg h ALA 176 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1thg h ALA 176 CO 0.03 0.28 0.39 0.82 0.00 0.00 0.00 179.25 180.76 1thg h ILE 177 N 0.30 1.22 -0.48 0.00 1.08 -1.70 -1.04 117.51 116.89 1thg h ILE 177 Ca 0.05 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1thg h ILE 177 Cb 0.69 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 1thg h ILE 177 CO 0.05 0.25 0.27 0.74 -0.69 0.00 0.00 178.15 178.76 1thg h THR 178 N 1.00 1.17 -0.92 -0.27 2.02 -1.09 -1.52 112.91 113.30 1thg h THR 178 Ca 0.25 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1thg h THR 178 Cb 0.05 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1thg h THR 178 CO -0.04 0.18 0.53 0.00 0.37 0.00 0.00 175.52 176.56 1thg h ALA 179 N 1.11 1.19 0.00 6.16 0.00 -0.72 -0.06 119.26 126.94 1thg h ALA 179 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1thg h ALA 179 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1thg h ALA 179 CO -0.03 0.67 0.00 0.93 0.00 0.00 0.00 179.25 180.82 1thg h GLU 180 N 1.28 0.00 -0.05 0.00 5.08 -0.85 -3.47 114.58 116.57 1thg h GLU 180 Ca 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1thg h GLU 180 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1thg h GLU 180 CO -0.06 0.00 -0.01 0.41 -1.00 0.00 0.00 179.01 178.35 1thg n GLY 181 N -0.07 0.40 1.92 -3.84 0.00 -0.04 -4.96 105.19 98.59 1thg n GLY 181 Ca 0.01 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 1thg n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1thg n ASN 182 N 1.89 4.17 -4.80 1.61 3.02 -0.66 -4.92 115.26 115.57 1thg n ASN 182 Ca -0.01 -3.71 -0.33 0.00 -0.03 0.00 0.00 54.58 50.50 1thg n ASN 182 Cb 0.17 -0.77 -0.01 0.00 -0.61 0.00 0.00 39.78 38.56 1thg n ASN 182 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1thg s THR 183 N -3.66 3.88 -1.46 3.41 -4.23 -1.26 -3.93 115.64 108.39 1thg s THR 183 Ca 0.54 1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.95 1thg s THR 183 Cb 0.46 -3.44 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1thg s THR 183 CO 0.05 -0.42 0.92 0.59 -0.54 0.00 0.00 174.62 175.22 1thg n ASN 184 N -1.56 -3.87 -0.36 3.99 3.02 -1.26 -4.89 115.26 110.33 1thg n ASN 184 Ca 0.09 -0.78 0.05 0.00 -0.03 0.00 0.00 54.58 53.91 1thg n ASN 184 Cb 0.53 -4.00 0.21 0.00 -0.61 0.00 0.00 39.78 35.91 1thg n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1thg h ALA 185 N 0.94 1.43 -0.09 5.41 0.00 -1.50 -1.45 119.26 124.01 1thg h ALA 185 Ca -0.59 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1thg h ALA 185 Cb 1.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1thg h ALA 185 CO 0.64 0.30 -0.09 0.78 0.00 0.00 0.00 179.25 180.87 1thg h GLY 186 N 1.04 0.13 1.61 0.00 0.00 -0.92 0.64 103.07 105.57 1thg h GLY 186 Ca 0.46 -0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.54 1thg h GLY 186 CO -0.23 0.07 -0.70 1.41 0.00 0.00 0.00 176.54 177.09 1thg h LEU 187 N 0.12 0.46 -0.85 3.11 3.38 -1.54 -2.80 115.31 117.19 1thg h LEU 187 Ca 0.03 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 1thg h LEU 187 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1thg h LEU 187 CO 0.01 1.02 -0.45 0.45 0.09 0.00 0.00 178.44 179.56 1thg h HIS 188 N 0.27 0.33 -0.40 1.13 3.86 -0.75 -1.99 115.15 117.59 1thg h HIS 188 Ca -0.02 -0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1thg h HIS 188 Cb 1.27 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.63 1thg h HIS 188 CO 0.04 0.68 0.16 -0.44 0.86 0.00 0.00 177.93 179.23 1thg h ASP 189 N 0.22 0.20 -0.46 2.45 3.32 -0.78 0.11 116.42 121.47 1thg h ASP 189 Ca 0.02 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1thg h ASP 189 Cb 0.89 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1thg h ASP 189 CO 0.07 0.15 0.23 1.56 -1.72 0.00 0.00 179.24 179.53 1thg h GLN 190 N 0.34 0.66 -0.70 3.56 4.20 -1.27 -1.10 115.11 120.80 1thg h GLN 190 Ca 0.18 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1thg h GLN 190 Cb 0.14 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1thg h GLN 190 CO -0.17 0.56 0.22 -0.09 -0.67 0.00 0.00 178.83 178.68 1thg h ARG 191 N 0.61 1.07 -0.64 1.46 9.65 -1.08 -0.97 114.38 124.48 1thg h ARG 191 Ca 0.16 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 1thg h ARG 191 Cb 0.11 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1thg h ARG 191 CO -0.02 0.91 0.11 -0.22 2.80 0.00 0.00 179.97 183.55 1thg h LYS 192 N 1.03 1.05 -0.73 0.20 1.63 -0.64 -0.40 116.57 118.71 1thg h LYS 192 Ca 0.23 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1thg h LYS 192 Cb 0.28 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1thg h LYS 192 CO -0.01 0.96 0.42 0.78 -3.45 0.00 0.00 179.45 178.15 1thg h GLY 193 N 1.04 1.07 1.06 5.01 0.00 -0.54 -1.00 103.07 109.72 1thg h GLY 193 Ca 0.20 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1thg h GLY 193 CO 0.01 0.45 0.19 1.41 0.00 0.00 0.00 176.54 178.60 1thg h LEU 194 N 1.00 1.05 -0.86 3.11 3.38 -0.84 -1.29 115.31 120.86 1thg h LEU 194 Ca 0.26 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1thg h LEU 194 Cb 0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1thg h LEU 194 CO -0.05 1.01 0.55 -0.33 0.09 0.00 0.00 178.44 179.71 1thg h GLU 195 N 1.05 1.04 -0.72 1.13 5.08 -0.78 -0.87 114.58 120.51 1thg h GLU 195 Ca 0.22 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1thg h GLU 195 Cb 0.35 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1thg h GLU 195 CO -0.00 0.69 0.45 2.35 -1.00 0.00 0.00 179.01 181.49 1thg h TRP 196 N 1.07 0.94 -0.38 4.33 7.01 -0.70 -1.18 115.95 127.03 1thg h TRP 196 Ca 0.35 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 1thg h TRP 196 Cb 0.02 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 1thg h TRP 196 CO -0.02 0.62 0.16 0.28 -2.79 0.00 0.00 178.44 176.68 1thg h VAL 197 N 0.98 1.19 -0.73 2.65 2.07 -0.83 0.73 116.25 122.31 1thg h VAL 197 Ca 0.26 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1thg h VAL 197 Cb -0.06 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1thg h VAL 197 CO -0.05 0.21 0.48 -1.28 0.02 0.00 0.00 177.57 176.94 1thg h SER 198 N 0.47 0.80 0.65 0.57 0.87 -0.67 -0.52 113.55 115.73 1thg h SER 198 Ca 0.13 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 1thg h SER 198 Cb 0.18 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1thg h SER 198 CO -0.01 0.57 -0.77 0.44 -0.53 0.00 0.00 176.83 176.53 1thg h ASP 199 N 0.95 0.11 0.00 6.23 3.32 -0.98 -3.41 116.42 122.65 1thg h ASP 199 Ca 0.28 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1thg h ASP 199 Cb -0.05 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1thg h ASP 199 CO -0.08 0.84 -0.28 0.59 -1.72 0.00 0.00 179.24 178.59 1thg n ASN 200 N -3.68 1.39 0.24 6.45 4.13 0.23 -4.79 115.26 119.23 1thg n ASN 200 Ca -0.02 -0.30 0.11 0.00 1.68 0.00 0.00 54.58 56.05 1thg n ASN 200 Cb 0.74 0.87 0.59 0.00 -1.54 0.00 0.00 39.78 40.44 1thg n ASN 200 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1thg h ILE 201 N 0.00 0.61 -0.04 2.41 6.09 -1.26 -2.11 117.51 123.22 1thg h ILE 201 Ca 0.00 -0.86 0.01 0.00 -1.37 0.00 0.00 64.86 62.65 1thg h ILE 201 Cb 0.00 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 38.85 1thg h ILE 201 CO 0.00 0.18 0.03 0.00 -3.07 0.00 0.00 178.15 175.30 1thg h ALA 202 N 1.81 1.79 0.00 0.18 0.00 -1.81 -0.01 119.26 121.23 1thg h ALA 202 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1thg h ALA 202 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1thg h ALA 202 CO 0.02 -0.05 0.00 -0.91 0.00 0.00 0.00 179.25 178.31 1thg h ASN 203 N 0.00 0.00 -0.02 0.00 2.35 -1.65 -1.94 115.58 114.32 1thg h ASN 203 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1thg h ASN 203 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1thg h ASN 203 CO -0.00 0.00 -0.16 0.49 -1.65 0.00 0.00 177.43 176.11 1thg n PHE 204 N -2.90 0.00 -0.01 1.19 3.01 -0.07 -4.53 117.46 114.15 1thg n PHE 204 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1thg n PHE 204 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1thg n PHE 204 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1thg n GLY 205 N 1.32 0.96 3.95 1.37 0.00 -0.73 -4.70 105.19 107.36 1thg n GLY 205 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1thg n GLY 205 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thg s GLY 206 N -1.94 1.30 -0.44 -0.02 0.00 -0.89 -0.66 107.32 104.68 1thg s GLY 206 Ca 0.00 -1.03 -0.16 0.00 0.00 0.00 0.00 44.72 43.54 1thg s GLY 206 CO 0.00 -0.99 0.37 -0.35 0.00 0.00 0.00 173.10 172.13 1thg s ASP 207 N -4.02 6.14 0.30 1.64 -1.08 0.83 -3.59 116.67 116.90 1thg s ASP 207 Ca 0.38 -0.97 0.21 0.00 -0.52 0.00 0.00 52.55 51.65 1thg s ASP 207 Cb -0.09 -2.19 1.11 0.00 -1.46 0.00 0.00 42.92 40.29 1thg s ASP 207 CO 0.34 -0.56 1.65 -0.81 0.52 0.00 0.00 175.17 176.31 1thg n PRO 208 N 5.32 0.14 -0.24 4.34 -0.04 -1.26 -1.57 135.00 141.69 1thg n PRO 208 Ca -0.10 0.61 0.10 0.00 -0.04 0.00 0.00 63.50 64.06 1thg n PRO 208 Cb 0.46 -1.93 0.26 0.00 -0.04 0.00 0.00 33.50 32.25 1thg n PRO 208 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1thg n ASP 209 N -2.23 2.92 -3.27 3.54 8.00 -1.26 -4.58 116.55 119.67 1thg n ASP 209 Ca -0.01 -1.96 -0.19 0.00 0.71 0.00 0.00 54.79 53.35 1thg n ASP 209 Cb 0.06 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.78 1thg n ASP 209 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1thg s LYS 210 N -1.38 0.81 -0.09 -1.24 2.20 -0.61 -4.94 119.74 114.50 1thg s LYS 210 Ca 0.37 -1.37 0.04 0.00 -0.36 0.00 0.00 55.97 54.66 1thg s LYS 210 Cb 0.20 -0.88 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 1thg s LYS 210 CO 0.27 -1.29 -0.22 0.08 -0.36 0.00 0.00 175.35 173.83 1thg s VAL 211 N 0.82 1.90 -0.13 4.02 1.01 -1.26 -1.34 120.40 125.42 1thg s VAL 211 Ca 0.25 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1thg s VAL 211 Cb -0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1thg s VAL 211 CO -0.09 0.53 -0.12 -0.32 0.00 0.00 0.00 175.10 175.10 1thg s MET 212 N 0.29 3.40 -0.09 2.72 0.00 -0.15 -0.28 119.30 125.20 1thg s MET 212 Ca -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 55.69 54.85 1thg s MET 212 Cb -0.17 -2.66 -0.03 0.00 0.00 0.00 0.00 34.83 31.97 1thg s MET 212 CO 0.07 0.23 0.02 0.96 0.00 0.00 0.00 175.02 176.31 1thg s ILE 213 N 0.31 4.49 0.11 10.11 -4.36 -0.88 -0.19 121.20 130.79 1thg s ILE 213 Ca -0.09 -0.20 -0.14 0.00 -0.26 0.00 0.00 60.65 59.96 1thg s ILE 213 Cb -0.16 -2.91 0.03 0.00 1.25 0.00 0.00 42.46 40.67 1thg s ILE 213 CO 0.05 0.59 0.35 0.72 0.24 0.00 0.00 174.94 176.89 1thg s PHE 214 N -0.92 -0.12 0.02 1.37 -0.71 -0.39 -1.46 117.98 115.77 1thg s PHE 214 Ca 0.14 -0.21 -0.28 0.00 -1.04 0.00 0.00 56.93 55.54 1thg s PHE 214 Cb -0.11 0.18 0.10 0.00 -1.21 0.00 0.00 43.02 41.97 1thg s PHE 214 CO 0.03 -0.65 1.23 0.20 -1.34 0.00 0.00 175.22 174.69 1thg s GLY 215 N -2.76 -0.19 0.05 1.99 0.00 -1.12 -0.80 107.32 104.49 1thg s GLY 215 Ca 0.03 0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1thg s GLY 215 CO -0.11 3.02 -0.12 1.85 0.00 0.00 0.00 173.10 177.74 1thg s GLU 216 N -2.23 0.78 4.77 2.90 -6.30 -1.24 -1.33 118.70 116.04 1thg s GLU 216 Ca 0.22 -0.80 0.00 0.00 -2.50 0.00 0.00 54.97 51.90 1thg s GLU 216 Cb 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 34.13 33.41 1thg s GLU 216 CO -0.01 0.17 0.00 0.45 0.02 0.00 0.00 175.26 175.89 1thg n SER 217 N 1.64 0.00 0.29 -1.70 2.88 -0.58 -0.99 113.62 115.15 1thg n SER 217 Ca -0.20 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.50 1thg n SER 217 Cb 0.55 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.86 1thg n SER 217 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1thg h ALA 218 N -0.62 1.23 -0.18 -1.46 0.00 -1.51 -0.17 119.26 116.54 1thg h ALA 218 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1thg h ALA 218 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1thg h ALA 218 CO 0.00 0.08 -0.55 0.78 0.00 0.00 0.00 179.25 179.56 1thg h GLY 219 N 0.69 0.60 1.46 0.00 0.00 -0.93 0.32 103.07 105.21 1thg h GLY 219 Ca -0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 47.33 46.42 1thg h GLY 219 CO 0.01 0.62 -0.86 0.00 0.00 0.00 0.00 176.54 176.31 1thg h ALA 220 N 0.98 0.40 -0.98 3.60 0.00 -1.10 -0.90 119.26 121.26 1thg h ALA 220 Ca 0.01 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.30 1thg h ALA 220 Cb 1.09 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1thg h ALA 220 CO 0.10 0.76 0.64 0.52 0.00 0.00 0.00 179.25 181.28 1thg h MET 221 N 0.32 1.21 -0.51 0.00 2.86 -1.08 -0.86 114.93 116.87 1thg h MET 221 Ca -0.06 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1thg h MET 221 Cb 1.47 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1thg h MET 221 CO 0.16 0.80 0.15 0.77 1.06 0.00 0.00 176.91 179.84 1thg h SER 222 N 1.24 0.74 -0.88 1.22 0.02 -0.69 -1.96 113.55 113.25 1thg h SER 222 Ca 0.39 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1thg h SER 222 Cb 0.00 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1thg h SER 222 CO -0.12 0.76 0.55 0.58 -1.14 0.00 0.00 176.83 177.46 1thg h VAL 223 N 0.69 1.24 -0.65 2.27 2.07 -0.67 0.72 116.25 121.92 1thg h VAL 223 Ca 0.16 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1thg h VAL 223 Cb 0.29 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1thg h VAL 223 CO -0.00 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.07 1thg h ALA 224 N 1.30 1.21 0.00 1.67 0.00 -0.90 -1.56 119.26 120.98 1thg h ALA 224 Ca 0.32 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1thg h ALA 224 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1thg h ALA 224 CO -0.06 0.57 -0.48 0.45 0.00 0.00 0.00 179.25 179.73 1thg h HIS 225 N 0.94 0.00 -0.14 0.00 3.86 -0.51 -2.59 115.15 116.71 1thg h HIS 225 Ca 0.22 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1thg h HIS 225 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1thg h HIS 225 CO 0.02 0.48 -0.35 1.96 0.86 0.00 0.00 177.93 180.89 1thg h GLN 226 N 0.00 0.29 -0.22 2.45 1.08 -0.07 -0.98 115.11 117.66 1thg h GLN 226 Ca -0.00 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1thg h GLN 226 Cb 1.04 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1thg h GLN 226 CO 0.06 0.61 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.35 1thg h LEU 227 N 0.25 0.36 -2.59 1.46 3.38 -0.92 -2.93 115.31 114.32 1thg h LEU 227 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1thg h LEU 227 Cb 0.75 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1thg h LEU 227 CO 0.06 0.52 0.00 2.30 0.09 0.00 0.00 178.44 181.41 1thg n ILE 228 N -4.23 0.81 -1.72 1.22 -5.35 -1.08 -0.56 119.36 108.45 1thg n ILE 228 Ca 0.00 -0.90 -0.43 0.00 -0.27 0.00 0.00 62.75 61.15 1thg n ILE 228 Cb 0.30 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 38.86 1thg n ILE 228 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1thg n ALA 229 N 1.24 1.98 -3.33 -1.28 0.00 -0.39 -0.84 120.51 117.89 1thg n ALA 229 Ca 0.19 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.78 1thg n ALA 229 Cb 0.54 -2.39 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 1thg n ALA 229 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1thg n TYR 230 N 2.04 -1.79 -1.92 0.00 4.01 0.66 -1.10 117.16 119.06 1thg n TYR 230 Ca 0.10 0.47 -0.11 0.00 -0.16 0.00 0.00 57.90 58.20 1thg n TYR 230 Cb 0.35 -3.03 -0.02 0.00 -0.31 0.00 0.00 39.34 36.33 1thg n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thg n GLY 231 N -1.19 0.34 0.03 2.72 0.00 -0.02 -3.12 105.19 103.95 1thg n GLY 231 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1thg n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thg n GLY 232 N -1.22 0.97 3.43 -0.02 0.00 -0.26 -3.88 105.19 104.22 1thg n GLY 232 Ca -0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 1thg n GLY 232 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1thg s ASP 233 N -2.05 6.20 -0.46 1.61 2.15 -0.96 -3.65 116.67 119.51 1thg s ASP 233 Ca 0.00 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 51.95 1thg s ASP 233 Cb 0.00 -2.35 0.60 0.00 -0.30 0.00 0.00 42.92 40.86 1thg s ASP 233 CO 0.00 -1.19 1.85 -0.46 -0.17 0.00 0.00 175.17 175.19 1thg n ASN 234 N 6.88 4.30 -4.92 -0.34 6.94 -1.26 -4.70 115.26 122.16 1thg n ASN 234 Ca -0.06 -3.68 -0.28 0.00 -0.02 0.00 0.00 54.58 50.54 1thg n ASN 234 Cb 0.44 -0.82 -0.04 0.00 -2.36 0.00 0.00 39.78 37.01 1thg n ASN 234 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1thg s THR 235 N -3.61 5.28 -0.13 5.53 -4.23 -1.26 -0.79 115.64 116.43 1thg s THR 235 Ca 0.56 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 1thg s THR 235 Cb 0.47 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.70 1thg s THR 235 CO 0.07 -0.01 0.07 -0.47 -0.54 0.00 0.00 174.62 173.74 1thg s TYR 236 N -1.65 0.27 -1.55 3.99 5.04 0.82 -4.84 117.35 119.42 1thg s TYR 236 Ca 0.34 -0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.64 1thg s TYR 236 Cb -0.12 -0.68 0.09 0.00 0.35 0.00 0.00 41.96 41.61 1thg s TYR 236 CO 0.28 -0.43 0.81 0.09 -1.34 0.00 0.00 175.55 174.96 1thg n ASN 237 N 5.25 -3.29 0.00 4.32 5.03 -1.26 -0.93 115.26 124.38 1thg n ASN 237 Ca -0.06 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.49 1thg n ASN 237 Cb 0.49 -3.39 0.00 0.00 -1.02 0.00 0.00 39.78 35.87 1thg n ASN 237 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1thg n GLY 238 N -1.63 3.25 3.84 7.41 0.00 -1.26 -5.04 105.19 111.76 1thg n GLY 238 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1thg n GLY 238 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1thg s LYS 239 N -0.54 3.75 0.14 1.61 2.20 -0.11 -5.00 119.74 121.78 1thg s LYS 239 Ca 0.00 0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.46 1thg s LYS 239 Cb 0.00 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 33.02 1thg s LYS 239 CO 0.00 0.69 1.31 0.15 -0.36 0.00 0.00 175.35 177.14 1thg s LYS 240 N -0.92 4.38 0.29 4.03 1.02 -1.26 -0.13 119.74 127.14 1thg s LYS 240 Ca 0.19 1.99 0.13 0.00 0.02 0.00 0.00 55.97 58.31 1thg s LYS 240 Cb -0.14 -3.25 0.36 0.00 -0.52 0.00 0.00 37.83 34.28 1thg s LYS 240 CO 0.09 -0.31 1.60 -0.07 -0.92 0.00 0.00 175.35 175.73 1thg h LEU 241 N 6.22 0.00 -7.33 3.17 3.38 -1.31 -3.47 115.31 115.96 1thg h LEU 241 Ca -0.43 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1thg h LEU 241 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 1thg h LEU 241 CO 0.82 0.58 -0.01 0.72 0.09 0.00 0.00 178.44 180.64 1thg s PHE 242 N -3.44 -0.26 0.00 1.13 -0.12 -1.26 -4.81 117.98 109.21 1thg s PHE 242 Ca -0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1thg s PHE 242 Cb 0.11 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1thg s PHE 242 CO 0.74 -0.75 0.17 0.72 -0.05 0.00 0.00 175.22 176.05 1thg n HIS 243 N -0.26 0.00 -3.68 3.49 8.25 0.61 -4.93 115.22 118.70 1thg n HIS 243 Ca -0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.26 1thg n HIS 243 Cb 0.64 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.73 1thg n HIS 243 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1thg s SER 244 N -0.17 -0.23 0.03 0.41 1.04 -1.18 -4.30 113.70 109.31 1thg s SER 244 Ca 0.00 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 1thg s SER 244 Cb 0.00 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1thg s SER 244 CO 0.00 -0.80 0.32 0.00 0.98 0.00 0.00 173.24 173.75 1thg s ALA 245 N -3.20 -0.76 -0.04 5.32 0.00 -0.89 -2.08 121.76 120.10 1thg s ALA 245 Ca 0.10 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1thg s ALA 245 Cb -0.01 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1thg s ALA 245 CO -0.01 -0.37 -0.11 0.42 0.00 0.00 0.00 175.76 175.68 1thg s ILE 246 N -2.19 1.02 -0.22 0.00 1.01 -0.54 -2.04 121.20 118.25 1thg s ILE 246 Ca -0.07 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1thg s ILE 246 Cb -0.02 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.58 1thg s ILE 246 CO -0.01 0.32 -0.12 -0.76 0.00 0.00 0.00 174.94 174.37 1thg s LEU 247 N 0.37 2.66 -0.45 2.97 1.02 -0.05 -2.80 118.68 122.39 1thg s LEU 247 Ca -0.08 -1.03 -0.16 0.00 0.02 0.00 0.00 54.13 52.88 1thg s LEU 247 Cb -0.12 -1.38 0.05 0.00 0.02 0.00 0.00 46.19 44.76 1thg s LEU 247 CO 0.02 -0.14 0.41 -1.10 0.02 0.00 0.00 176.35 175.56 1thg s GLN 248 N 1.28 3.01 -1.15 1.70 -0.21 -0.44 -1.76 119.66 122.09 1thg s GLN 248 Ca -0.03 -1.12 -0.11 0.00 0.02 0.00 0.00 55.36 54.12 1thg s GLN 248 Cb -0.17 -4.07 -0.03 0.00 1.00 0.00 0.00 33.01 29.75 1thg s GLN 248 CO -0.08 -0.96 0.82 0.43 -2.12 0.00 0.00 175.29 173.38 1thg n SER 249 N 5.38 -4.68 -3.63 5.90 7.64 -0.28 -1.53 113.62 122.42 1thg n SER 249 Ca -0.11 -0.86 -0.03 0.00 1.01 0.00 0.00 58.87 58.88 1thg n SER 249 Cb 0.45 -4.19 -0.03 0.00 -1.01 0.00 0.00 64.21 59.43 1thg n SER 249 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1thg s GLY 250 N -3.68 -0.08 0.00 0.23 0.00 -1.26 -3.09 107.32 99.45 1thg s GLY 250 Ca 0.35 2.32 0.00 0.00 0.00 0.00 0.00 44.72 47.39 1thg s GLY 250 CO 0.81 0.88 0.00 0.61 0.00 0.00 0.00 173.10 175.39 1thg n GLY 251 N 0.28 2.88 3.71 0.20 0.00 -1.26 -4.45 105.19 106.56 1thg n GLY 251 Ca 0.01 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1thg n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1thg s PRO 252 N 0.18 1.65 0.01 1.61 0.04 -1.26 -4.35 135.00 132.88 1thg s PRO 252 Ca 0.00 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1thg s PRO 252 Cb 0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1thg s PRO 252 CO 0.00 -2.16 0.14 -0.51 0.04 0.00 0.00 177.00 174.51 1thg s LEU 253 N -5.98 4.15 0.00 -3.56 1.43 -1.26 -4.75 118.68 108.71 1thg s LEU 253 Ca 0.68 0.24 0.26 0.00 -1.03 0.00 0.00 54.13 54.28 1thg s LEU 253 Cb -0.23 -2.51 1.58 0.00 0.03 0.00 0.00 46.19 45.05 1thg s LEU 253 CO 0.53 0.25 2.00 -0.81 0.23 0.00 0.00 176.35 178.55 1thg n PRO 254 N 0.92 0.96 -2.19 1.29 -0.04 -1.26 -4.39 135.00 130.29 1thg n PRO 254 Ca -0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 1thg n PRO 254 Cb 0.52 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1thg n PRO 254 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1thg s TYR 255 N -2.00 2.80 -0.54 0.54 2.02 -1.26 -4.85 117.35 114.06 1thg s TYR 255 Ca 0.40 1.51 0.05 0.00 -0.37 0.00 0.00 57.07 58.66 1thg s TYR 255 Cb 0.18 -3.44 0.02 0.00 -0.40 0.00 0.00 41.96 38.32 1thg s TYR 255 CO 0.31 -1.70 0.56 0.72 -1.57 0.00 0.00 175.55 173.87 1thg n HIS 256 N -0.54 0.00 -4.10 2.71 8.25 -1.26 -4.26 115.22 116.01 1thg n HIS 256 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 1thg n HIS 256 Cb 0.47 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 1thg n HIS 256 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1thg s ASP 257 N -0.63 0.67 -0.94 0.41 -4.77 -1.26 -4.70 116.67 105.46 1thg s ASP 257 Ca 0.05 -1.39 -0.08 0.00 -3.30 0.00 0.00 52.55 47.84 1thg s ASP 257 Cb 0.04 0.60 -0.14 0.00 -1.09 0.00 0.00 42.92 42.33 1thg s ASP 257 CO 0.09 -1.18 2.98 -1.20 0.70 0.00 0.00 175.17 176.56 1thg n SER 258 N -1.05 6.78 -4.94 2.11 7.64 -1.26 -4.68 113.62 118.22 1thg n SER 258 Ca 0.01 -2.47 -0.24 0.00 1.01 0.00 0.00 58.87 57.18 1thg n SER 258 Cb 0.62 -1.40 0.04 0.00 -1.01 0.00 0.00 64.21 62.46 1thg n SER 258 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1thg s SER 259 N 2.32 5.41 0.22 6.43 0.15 -1.26 -4.98 113.70 121.99 1thg s SER 259 Ca 0.62 0.35 -0.06 0.00 0.70 0.00 0.00 55.95 57.56 1thg s SER 259 Cb 0.21 -1.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1thg s SER 259 CO -0.03 -1.10 0.29 -0.94 1.20 0.00 0.00 173.24 172.65 1thg s SER 260 N -4.36 0.06 0.44 5.45 1.04 -1.26 -4.87 113.70 110.20 1thg s SER 260 Ca 0.55 -1.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.54 1thg s SER 260 Cb -0.10 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 1thg s SER 260 CO 0.41 -0.98 1.17 0.52 0.98 0.00 0.00 173.24 175.34 1thg n VAL 261 N -0.33 2.70 -0.59 5.02 0.31 -0.78 -4.73 118.33 119.93 1thg n VAL 261 Ca 0.00 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.86 1thg n VAL 261 Cb 0.64 -1.41 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 1thg n VAL 261 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1thg n GLY 262 N 0.96 -2.19 0.11 2.92 0.00 -0.14 -4.49 105.19 102.37 1thg n GLY 262 Ca 0.08 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.75 1thg n GLY 262 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1thg n PRO 263 N -1.40 0.17 -4.45 1.61 -0.04 -1.26 -4.76 135.00 124.87 1thg n PRO 263 Ca 0.00 0.39 -0.25 0.00 -0.04 0.00 0.00 63.50 63.61 1thg n PRO 263 Cb 0.09 -1.82 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 1thg n PRO 263 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1thg s ASP 264 N -4.07 3.60 0.21 3.54 1.01 -1.26 -5.11 116.67 114.59 1thg s ASP 264 Ca 0.05 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 52.03 1thg s ASP 264 Cb 0.09 -0.32 -0.08 0.00 1.01 0.00 0.00 42.92 43.62 1thg s ASP 264 CO 0.38 0.06 1.16 -0.63 0.21 0.00 0.00 175.17 176.35 1thg s ILE 265 N -2.33 3.56 0.24 0.77 1.01 -1.26 -4.84 121.20 118.34 1thg s ILE 265 Ca 0.28 1.38 -0.07 0.00 0.00 0.00 0.00 60.65 62.24 1thg s ILE 265 Cb -0.06 -3.88 0.22 0.00 0.01 0.00 0.00 42.46 38.75 1thg s ILE 265 CO 0.14 0.25 1.87 0.77 0.00 0.00 0.00 174.94 177.97 1thg h SER 266 N 4.81 1.14 -0.42 3.58 4.64 -1.90 -2.33 113.55 123.07 1thg h SER 266 Ca -0.45 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1thg h SER 266 Cb 1.21 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 1thg h SER 266 CO 0.72 0.90 0.17 0.22 -0.87 0.00 0.00 176.83 177.97 1thg h TYR 267 N 1.29 0.31 -0.71 4.77 3.20 -1.92 -0.99 116.97 122.93 1thg h TYR 267 Ca 0.33 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 1thg h TYR 267 Cb -0.01 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1thg h TYR 267 CO 0.01 0.14 0.37 -0.97 -1.64 0.00 0.00 178.16 176.06 1thg h ASN 268 N 0.35 0.90 -0.25 -2.11 -0.73 -1.83 0.08 115.58 111.99 1thg h ASN 268 Ca 0.19 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 1thg h ASN 268 Cb 0.15 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1thg h ASN 268 CO -0.17 0.75 0.06 0.03 -0.37 0.00 0.00 177.43 177.73 1thg h ARG 269 N 0.98 0.41 -0.57 6.67 2.47 -1.07 -1.83 114.38 121.44 1thg h ARG 269 Ca 0.25 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 1thg h ARG 269 Cb 0.07 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1thg h ARG 269 CO -0.04 0.51 0.15 0.35 0.56 0.00 0.00 179.97 181.51 1thg h PHE 270 N 0.23 0.94 -0.92 3.04 3.57 -0.88 -0.29 116.94 122.63 1thg h PHE 270 Ca 0.08 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1thg h PHE 270 Cb 0.29 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1thg h PHE 270 CO 0.01 0.80 0.58 0.00 -2.23 0.00 0.00 178.31 177.48 1thg h ALA 271 N 1.03 1.17 -0.39 2.41 0.00 -0.93 -0.52 119.26 122.03 1thg h ALA 271 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1thg h ALA 271 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1thg h ALA 271 CO -0.00 0.60 0.08 0.37 0.00 0.00 0.00 179.25 180.30 1thg h GLN 272 N 1.26 0.63 0.00 0.00 4.15 -0.83 -0.90 115.11 119.42 1thg h GLN 272 Ca 0.33 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1thg h GLN 272 Cb -0.10 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1thg h GLN 272 CO -0.07 0.67 -0.20 1.88 -1.93 0.00 0.00 178.83 179.19 1thg h TYR 273 N 0.48 0.00 -0.00 3.99 0.05 -0.46 -2.24 116.97 118.80 1thg h TYR 273 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1thg h TYR 273 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1thg h TYR 273 CO 0.02 0.20 -0.02 0.00 -1.05 0.00 0.00 178.16 177.31 1thg n ALA 274 N -2.24 2.49 -0.51 3.88 0.00 -0.26 -4.59 120.51 119.28 1thg n ALA 274 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1thg n ALA 274 Cb 0.38 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1thg n ALA 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thg n GLY 275 N 1.35 0.69 3.89 0.00 0.00 -0.84 -4.97 105.19 105.31 1thg n GLY 275 Ca 0.12 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1thg n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thg s ASP 277 N -2.94 6.69 0.00 0.00 2.15 -1.26 -4.39 116.67 116.93 1thg s ASP 277 Ca 0.47 0.64 0.21 0.00 0.43 0.00 0.00 52.55 54.30 1thg s ASP 277 Cb -0.11 -2.45 1.22 0.00 -0.30 0.00 0.00 42.92 41.29 1thg s ASP 277 CO 0.28 -0.76 1.79 0.35 -0.17 0.00 0.00 175.17 176.66 1thg n THR 278 N 5.78 0.01 1.14 1.71 -2.24 -1.26 -2.74 114.28 116.68 1thg n THR 278 Ca 0.06 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1thg n THR 278 Cb 0.48 -0.29 0.21 0.00 -2.10 0.00 0.00 70.33 68.63 1thg n THR 278 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1thg n SER 279 N -0.77 1.60 -4.74 3.42 3.41 -1.26 -4.92 113.62 110.37 1thg n SER 279 Ca 0.16 -1.26 -0.29 0.00 -0.26 0.00 0.00 58.87 57.21 1thg n SER 279 Cb 0.08 0.27 0.13 0.00 -0.26 0.00 0.00 64.21 64.44 1thg n SER 279 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1thg s ALA 280 N -2.43 1.90 0.95 7.33 0.00 -1.11 -5.03 121.76 123.38 1thg s ALA 280 Ca 0.23 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 1thg s ALA 280 Cb 0.19 -3.00 0.16 0.00 0.00 0.00 0.00 23.12 20.47 1thg s ALA 280 CO 0.52 -2.24 1.09 -1.54 0.00 0.00 0.00 175.76 173.59 1thg s SER 281 N -4.16 2.90 0.14 0.00 1.04 -1.26 -4.73 113.70 107.62 1thg s SER 281 Ca 0.64 1.68 -0.18 0.00 0.48 0.00 0.00 55.95 58.58 1thg s SER 281 Cb -0.13 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.69 1thg s SER 281 CO 0.53 -3.03 1.75 0.00 0.98 0.00 0.00 173.24 173.46 1thg h ALA 282 N -1.82 0.33 -0.51 5.32 0.00 -1.97 -0.70 119.26 119.91 1thg h ALA 282 Ca -0.50 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1thg h ALA 282 Cb 1.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1thg h ALA 282 CO 0.50 -0.31 0.16 -0.91 0.00 0.00 0.00 179.25 178.69 1thg h ASN 283 N 0.22 0.70 -0.23 0.00 4.21 -1.96 -2.22 115.58 116.30 1thg h ASN 283 Ca 0.13 -0.10 -0.16 0.00 1.21 0.00 0.00 56.30 57.38 1thg h ASN 283 Cb 0.11 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1thg h ASN 283 CO -0.14 0.67 -0.43 0.44 -1.29 0.00 0.00 177.43 176.68 1thg h ASP 284 N 0.74 0.85 -0.57 5.81 5.19 -1.78 -1.10 116.42 125.56 1thg h ASP 284 Ca 0.17 -0.40 -0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1thg h ASP 284 Cb 0.22 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 1thg h ASP 284 CO -0.01 1.16 0.21 0.71 -3.12 0.00 0.00 179.24 178.19 1thg h THR 285 N 0.64 1.23 -0.20 0.35 1.35 -0.58 -1.16 112.91 114.53 1thg h THR 285 Ca 0.04 -0.76 -0.15 0.00 -0.55 0.00 0.00 66.41 65.00 1thg h THR 285 Cb 1.00 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1thg h THR 285 CO 0.10 0.29 -0.50 0.25 -0.25 0.00 0.00 175.52 175.41 1thg h LEU 286 N 0.89 0.61 -0.77 3.87 5.85 -1.19 -0.95 115.31 123.62 1thg h LEU 286 Ca 0.20 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1thg h LEU 286 Cb 0.23 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1thg h LEU 286 CO -0.01 1.01 0.10 -0.08 -0.34 0.00 0.00 178.44 179.11 1thg h GLU 287 N 0.44 1.03 -0.47 1.25 4.81 -0.84 -0.54 114.58 120.26 1thg h GLU 287 Ca 0.02 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1thg h GLU 287 Cb 1.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1thg h GLU 287 CO 0.10 0.95 0.22 0.00 -0.73 0.00 0.00 179.01 179.55 1thg h LEU 289 N 0.62 0.85 -0.27 0.00 3.38 -0.75 -1.88 115.31 117.26 1thg h LEU 289 Ca 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1thg h LEU 289 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1thg h LEU 289 CO -0.02 0.83 0.00 0.54 0.09 0.00 0.00 178.44 179.88 1thg n ARG 290 N -4.26 0.09 0.01 1.13 1.74 -0.25 -2.80 116.66 112.32 1thg n ARG 290 Ca 0.04 0.30 0.11 0.00 -0.77 0.00 0.00 57.85 57.53 1thg n ARG 290 Cb 0.24 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1thg n ARG 290 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1thg n SER 291 N -1.84 0.71 -4.80 0.55 3.41 -0.72 -4.89 113.62 106.04 1thg n SER 291 Ca 0.03 -0.52 -0.33 0.00 -0.26 0.00 0.00 58.87 57.79 1thg n SER 291 Cb 0.22 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 64.95 1thg n SER 291 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1thg s LYS 292 N -3.09 3.67 0.78 4.33 -0.14 -1.12 -5.04 119.74 119.13 1thg s LYS 292 Ca 0.07 1.28 -0.10 0.00 -1.36 0.00 0.00 55.97 55.85 1thg s LYS 292 Cb 0.16 -2.08 0.06 0.00 -1.68 0.00 0.00 37.83 34.29 1thg s LYS 292 CO 0.81 -0.53 1.09 -1.54 -0.76 0.00 0.00 175.35 174.42 1thg s SER 293 N -2.31 4.46 0.29 2.83 1.04 -1.26 -4.87 113.70 113.89 1thg s SER 293 Ca 0.65 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.90 1thg s SER 293 Cb -0.16 -2.52 0.46 0.00 0.10 0.00 0.00 66.02 63.91 1thg s SER 293 CO 0.26 -2.06 1.93 0.28 0.98 0.00 0.00 173.24 174.63 1thg h SER 294 N -1.15 0.95 -0.61 7.02 0.02 -1.98 -2.13 113.55 115.68 1thg h SER 294 Ca -0.44 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.46 1thg h SER 294 Cb 1.23 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1thg h SER 294 CO 0.51 0.65 0.22 0.28 -1.14 0.00 0.00 176.83 177.35 1thg h SER 295 N 1.11 0.90 -0.42 3.07 0.02 -1.99 0.88 113.55 117.12 1thg h SER 295 Ca 0.36 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1thg h SER 295 Cb 0.04 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1thg h SER 295 CO -0.11 0.83 0.03 0.58 -1.14 0.00 0.00 176.83 177.03 1thg h VAL 296 N 0.95 1.25 -0.09 2.27 2.07 -1.79 -0.86 116.25 120.05 1thg h VAL 296 Ca 0.21 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 1thg h VAL 296 Cb 0.25 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1thg h VAL 296 CO -0.01 0.33 -0.45 -0.07 0.02 0.00 0.00 177.57 177.38 1thg h LEU 297 N 0.57 0.23 -0.26 2.57 3.38 -1.08 -1.35 115.31 119.37 1thg h LEU 297 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1thg h LEU 297 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1thg h LEU 297 CO 0.02 0.66 0.08 -0.74 0.09 0.00 0.00 178.44 178.55 1thg h HIS 298 N 0.18 0.41 -0.82 1.13 2.76 -0.58 -0.59 115.15 117.64 1thg h HIS 298 Ca 0.01 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1thg h HIS 298 Cb 0.88 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.68 1thg h HIS 298 CO 0.01 0.46 0.43 -0.44 -1.30 0.00 0.00 177.93 177.09 1thg h ASP 299 N 0.25 1.03 -0.79 3.26 3.32 -0.88 -0.48 116.42 122.13 1thg h ASP 299 Ca 0.08 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1thg h ASP 299 Cb 0.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1thg h ASP 299 CO -0.00 0.84 0.31 0.00 -1.72 0.00 0.00 179.24 178.67 1thg h ALA 300 N 1.32 1.05 -0.43 3.45 0.00 -1.05 0.21 119.26 123.80 1thg h ALA 300 Ca 0.29 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1thg h ALA 300 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1thg h ALA 300 CO -0.04 0.67 -0.05 0.37 0.00 0.00 0.00 179.25 180.19 1thg h GLN 301 N 1.16 0.80 -0.26 0.00 4.15 -0.63 -1.55 115.11 118.78 1thg h GLN 301 Ca 0.26 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1thg h GLN 301 Cb 0.22 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1thg h GLN 301 CO -0.02 0.89 -0.22 -0.91 -1.93 0.00 0.00 178.83 176.64 1thg h ASN 302 N 0.64 0.48 -0.46 -0.69 4.21 -0.81 -1.38 115.58 117.56 1thg h ASN 302 Ca 0.12 -0.15 -0.09 0.00 1.21 0.00 0.00 56.30 57.38 1thg h ASN 302 Cb 0.57 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 1thg h ASN 302 CO 0.03 0.70 -0.08 0.28 -1.29 0.00 0.00 177.43 177.08 1thg h SER 303 N 0.43 0.87 -0.49 5.81 0.02 -0.76 -1.70 113.55 117.72 1thg h SER 303 Ca 0.07 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1thg h SER 303 Cb 0.63 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1thg h SER 303 CO 0.04 1.01 0.29 0.22 -1.14 0.00 0.00 176.83 177.26 1thg h TYR 304 N 0.72 0.66 0.38 3.45 3.20 -1.00 0.88 116.97 125.25 1thg h TYR 304 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1thg h TYR 304 Cb 0.61 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1thg h TYR 304 CO 0.05 0.46 -0.25 0.22 -1.64 0.00 0.00 178.16 177.00 1thg h ASP 305 N 0.66 -0.64 -0.49 -2.11 3.58 -1.14 0.19 116.42 116.47 1thg h ASP 305 Ca 0.18 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.55 1thg h ASP 305 Cb 0.01 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1thg h ASP 305 CO -0.03 -0.39 -0.16 -0.07 -2.88 0.00 0.00 179.24 175.71 1thg h LEU 306 N -0.61 0.98 0.14 2.28 3.38 -1.23 0.23 115.31 120.48 1thg h LEU 306 Ca -0.04 -0.38 -0.34 0.00 0.09 0.00 0.00 57.88 57.22 1thg h LEU 306 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1thg h LEU 306 CO 0.03 1.13 -1.74 0.11 0.09 0.00 0.00 178.44 178.06 1thg h LYS 307 N 0.82 0.29 0.00 1.13 1.57 -0.81 -3.13 116.57 116.45 1thg h LYS 307 Ca 0.12 -0.50 -0.27 0.00 -1.87 0.00 0.00 60.65 58.12 1thg h LYS 307 Cb 0.72 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 1thg h LYS 307 CO 0.06 1.17 -2.14 -0.25 -0.57 0.00 0.00 179.45 177.72 1thg n ASP 308 N -3.48 0.76 -0.98 0.86 9.92 0.61 -4.32 116.55 119.91 1thg n ASP 308 Ca -0.23 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.13 1thg n ASP 308 Cb 1.06 1.04 0.18 0.00 -0.64 0.00 0.00 41.12 42.76 1thg n ASP 308 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1thg n LEU 309 N -2.57 3.18 -2.89 0.64 4.77 -0.82 -4.90 117.00 114.40 1thg n LEU 309 Ca -0.25 -1.50 -0.19 0.00 -0.03 0.00 0.00 56.01 54.04 1thg n LEU 309 Cb 0.99 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1thg n LEU 309 CO 0.37 0.69 -0.09 0.49 -1.33 0.00 0.00 177.39 177.52 1thg n PHE 310 N 1.23 -1.64 -0.15 -1.77 3.72 -0.60 -1.53 117.46 116.73 1thg n PHE 310 Ca 0.16 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1thg n PHE 310 Cb 0.54 -3.20 0.00 0.00 -0.94 0.00 0.00 39.48 35.88 1thg n PHE 310 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1thg n GLY 311 N -1.08 1.31 0.00 1.37 0.00 -0.03 -4.69 105.19 102.07 1thg n GLY 311 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1thg n GLY 311 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1thg n LEU 312 N 0.00 0.00 -4.77 0.99 4.77 -0.87 -4.17 117.00 112.95 1thg n LEU 312 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1thg n LEU 312 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1thg n LEU 312 CO 0.00 0.00 0.89 -0.76 -1.33 0.00 0.00 177.39 176.19 1thg s LEU 313 N -2.35 4.14 0.08 2.23 1.43 -0.58 -4.86 118.68 118.78 1thg s LEU 313 Ca 0.00 2.49 -0.36 0.00 -1.03 0.00 0.00 54.13 55.22 1thg s LEU 313 Cb 0.00 -4.04 -0.16 0.00 0.03 0.00 0.00 46.19 42.02 1thg s LEU 313 CO 0.00 -0.86 1.43 -2.65 0.23 0.00 0.00 176.35 174.50 1thg n PRO 314 N -0.10 1.42 -0.21 1.29 -0.02 -1.26 -4.87 135.00 131.25 1thg n PRO 314 Ca 0.05 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1thg n PRO 314 Cb 0.46 -2.20 0.43 0.00 -0.02 0.00 0.00 33.50 32.17 1thg n PRO 314 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1thg h GLN 315 N 5.12 0.57 0.00 -0.52 4.15 -1.92 -1.51 115.11 121.00 1thg h GLN 315 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1thg h GLN 315 Cb 1.31 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1thg h GLN 315 CO 0.82 0.38 0.00 1.19 -1.93 0.00 0.00 178.83 179.28 1thg n PHE 316 N -4.52 0.00 0.70 3.99 3.01 -1.26 -1.33 117.46 118.06 1thg n PHE 316 Ca 0.15 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.74 1thg n PHE 316 Cb 0.46 -0.25 0.45 0.00 -0.01 0.00 0.00 39.48 40.14 1thg n PHE 316 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1thg n LEU 317 N -1.25 0.64 -0.00 4.37 4.77 -0.57 -3.99 117.00 120.97 1thg n LEU 317 Ca 0.07 0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1thg n LEU 317 Cb 0.10 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1thg n LEU 317 CO 0.10 -0.15 -0.01 0.61 -1.33 0.00 0.00 177.39 176.61 1thg n GLY 318 N 1.33 -0.35 3.16 -0.72 0.00 -0.44 -1.87 105.19 106.30 1thg n GLY 318 Ca 0.06 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1thg n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1thg s PHE 319 N -1.04 3.00 0.23 1.61 0.08 -1.03 -4.76 117.98 116.07 1thg s PHE 319 Ca -0.01 -1.69 -0.20 0.00 0.12 0.00 0.00 56.93 55.15 1thg s PHE 319 Cb 0.00 -1.99 0.07 0.00 -0.57 0.00 0.00 43.02 40.53 1thg s PHE 319 CO 0.01 -0.77 0.99 0.20 -0.10 0.00 0.00 175.22 175.54 1thg s GLY 320 N 1.28 0.20 0.18 4.36 0.00 -1.26 -4.00 107.32 108.09 1thg s GLY 320 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 44.72 43.92 1thg s GLY 320 CO -0.07 1.97 1.58 -1.05 0.00 0.00 0.00 173.10 175.54 1thg n PRO 321 N -0.68 2.25 -3.97 2.90 -0.02 -1.26 -4.93 135.00 129.29 1thg n PRO 321 Ca -0.04 0.81 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1thg n PRO 321 Cb 0.59 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 1thg n PRO 321 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1thg s ARG 322 N 0.78 0.46 0.20 -0.52 1.81 -1.26 -5.00 118.95 115.41 1thg s ARG 322 Ca 0.77 -0.73 -0.33 0.00 -1.72 0.00 0.00 55.73 53.72 1thg s ARG 322 Cb -0.64 0.17 -0.14 0.00 -0.45 0.00 0.00 34.95 33.89 1thg s ARG 322 CO 0.38 -0.09 1.50 -2.30 -0.68 0.00 0.00 175.30 174.11 1thg n PRO 323 N 1.10 2.11 0.00 3.54 -0.02 -1.26 -4.74 135.00 135.72 1thg n PRO 323 Ca -0.21 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1thg n PRO 323 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1thg n PRO 323 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1thg n ASP 324 N 2.81 0.38 0.00 2.55 5.75 -0.26 -4.71 116.55 123.07 1thg n ASP 324 Ca 0.14 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 1thg n ASP 324 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1thg n ASP 324 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1thg n GLY 325 N -0.06 1.07 0.00 6.12 0.00 -0.82 -4.82 105.19 106.68 1thg n GLY 325 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1thg n GLY 325 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1thg n ASN 326 N 0.00 0.00 0.16 1.61 5.15 -1.26 -4.65 115.26 116.27 1thg n ASN 326 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1thg n ASN 326 Cb 0.00 0.00 0.32 0.00 -0.53 0.00 0.00 39.78 39.57 1thg n ASN 326 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1thg h ILE 327 N 0.00 1.28 -3.45 -1.44 2.10 -1.94 -3.25 117.51 110.80 1thg h ILE 327 Ca 0.00 -1.35 -0.65 0.00 1.08 0.00 0.00 64.86 63.94 1thg h ILE 327 Cb 0.00 1.69 -0.41 0.00 -1.09 0.00 0.00 36.82 37.02 1thg h ILE 327 CO 0.00 0.39 -0.65 -0.63 -1.08 0.00 0.00 178.15 176.18 1thg s ILE 328 N -4.17 2.54 0.04 2.19 -1.09 -1.26 -0.24 121.20 119.20 1thg s ILE 328 Ca -0.03 -3.09 0.32 0.00 -2.23 0.00 0.00 60.65 55.62 1thg s ILE 328 Cb 0.14 -2.79 0.39 0.00 -1.58 0.00 0.00 42.46 38.62 1thg s ILE 328 CO 0.74 -0.75 1.94 1.55 -1.23 0.00 0.00 174.94 177.18 1thg h PRO 329 N 6.76 0.00 -3.40 2.79 0.13 -1.82 -0.50 132.00 135.96 1thg h PRO 329 Ca -0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 1thg h PRO 329 Cb 0.92 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 1thg h PRO 329 CO 0.65 0.00 0.10 0.34 -0.23 0.00 0.00 178.00 178.86 1thg s ASP 330 N -5.74 0.30 0.28 1.44 2.15 -1.26 -4.19 116.67 109.64 1thg s ASP 330 Ca 0.02 -1.23 -0.30 0.00 0.43 0.00 0.00 52.55 51.47 1thg s ASP 330 Cb 0.08 0.77 -0.13 0.00 -0.30 0.00 0.00 42.92 43.35 1thg s ASP 330 CO 0.56 -1.52 1.37 0.00 -0.17 0.00 0.00 175.17 175.40 1thg n ALA 331 N -0.53 1.24 -0.24 3.66 0.00 -1.26 -4.71 120.51 118.66 1thg n ALA 331 Ca -0.05 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.81 1thg n ALA 331 Cb 0.60 -2.27 0.15 0.00 0.00 0.00 0.00 19.45 17.93 1thg n ALA 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1thg h ALA 332 N 3.63 0.99 -0.88 0.00 0.00 -1.77 -1.12 119.26 120.10 1thg h ALA 332 Ca -0.45 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1thg h ALA 332 Cb 1.28 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1thg h ALA 332 CO 0.71 -0.11 0.47 1.88 0.00 0.00 0.00 179.25 182.21 1thg h TYR 333 N 0.54 1.22 -0.07 0.00 -1.99 -1.88 -2.18 116.97 112.61 1thg h TYR 333 Ca 0.37 -0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.90 1thg h TYR 333 Cb 0.44 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 1thg h TYR 333 CO -0.13 0.85 -0.67 0.93 -0.00 0.00 0.00 178.16 179.14 1thg h GLU 334 N 1.24 0.29 -0.65 4.88 4.39 -1.66 -1.77 114.58 121.29 1thg h GLU 334 Ca 0.31 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1thg h GLU 334 Cb 0.04 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1thg h GLU 334 CO -0.05 0.85 0.28 -0.07 -1.16 0.00 0.00 179.01 178.87 1thg h LEU 335 N 0.20 0.88 -0.32 1.33 3.38 -0.87 -0.51 115.31 119.39 1thg h LEU 335 Ca -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1thg h LEU 335 Cb 1.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1thg h LEU 335 CO 0.11 0.79 0.10 -0.26 0.09 0.00 0.00 178.44 179.26 1thg h PHE 336 N 0.91 0.53 0.00 1.13 0.04 -1.15 -0.91 116.94 117.49 1thg h PHE 336 Ca 0.22 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 1thg h PHE 336 Cb 0.17 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1thg h PHE 336 CO 0.01 0.53 -0.21 0.00 -0.60 0.00 0.00 178.31 178.04 1thg h ARG 337 N 0.37 0.00 -0.55 1.51 3.08 -1.12 -2.27 114.38 115.40 1thg h ARG 337 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1thg h ARG 337 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1thg h ARG 337 CO -0.00 0.21 0.00 -1.13 -1.07 0.00 0.00 179.97 177.98 1thg n SER 338 N -3.55 3.03 -0.09 7.04 3.41 -0.22 -4.92 113.62 118.32 1thg n SER 338 Ca -0.01 -2.15 -0.01 0.00 -0.26 0.00 0.00 58.87 56.44 1thg n SER 338 Cb 0.36 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1thg n SER 338 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thg n GLY 339 N 1.08 0.50 2.65 5.00 0.00 -0.85 -4.93 105.19 108.63 1thg n GLY 339 Ca 0.17 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1thg n GLY 339 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thg n ARG 340 N -2.76 4.88 -4.02 1.61 1.74 -0.36 -4.89 116.66 112.85 1thg n ARG 340 Ca -0.01 -4.13 -0.08 0.00 -0.77 0.00 0.00 57.85 52.86 1thg n ARG 340 Cb 0.06 -2.57 -0.11 0.00 -1.02 0.00 0.00 32.46 28.83 1thg n ARG 340 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1thg s TYR 341 N -2.61 0.37 0.20 -1.55 1.13 -1.25 -3.07 117.35 110.57 1thg s TYR 341 Ca 0.43 -0.75 -0.31 0.00 -1.41 0.00 0.00 57.07 55.03 1thg s TYR 341 Cb 0.16 -0.27 -0.11 0.00 -1.10 0.00 0.00 41.96 40.64 1thg s TYR 341 CO -0.08 -0.27 1.63 0.00 -2.51 0.00 0.00 175.55 174.32 1thg s ALA 342 N -2.48 3.83 -1.32 9.51 0.00 0.28 -4.76 121.76 126.82 1thg s ALA 342 Ca -0.06 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 1thg s ALA 342 Cb -0.03 -3.65 0.12 0.00 0.00 0.00 0.00 23.12 19.56 1thg s ALA 342 CO -0.05 -0.86 1.87 1.63 0.00 0.00 0.00 175.76 178.35 1thg n LYS 343 N 3.69 3.32 -4.38 0.00 4.76 -1.26 -4.93 118.16 119.35 1thg n LYS 343 Ca 0.14 -3.31 -0.27 0.00 -2.87 0.00 0.00 58.31 51.99 1thg n LYS 343 Cb 0.37 -3.12 -0.13 0.00 -1.84 0.00 0.00 35.03 30.31 1thg n LYS 343 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1thg s VAL 344 N 1.86 2.08 0.61 -0.18 -7.23 -1.26 -5.03 120.40 111.24 1thg s VAL 344 Ca 0.44 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.76 1thg s VAL 344 Cb 0.08 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1thg s VAL 344 CO -0.01 0.05 1.16 -2.16 -0.31 0.00 0.00 175.10 173.84 1thg s PRO 345 N -1.98 2.93 0.17 4.82 0.04 -1.26 -4.79 135.00 134.94 1thg s PRO 345 Ca 0.11 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1thg s PRO 345 Cb -0.10 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1thg s PRO 345 CO 0.05 -1.20 0.40 1.52 0.04 0.00 0.00 177.00 177.82 1thg s TYR 346 N -1.86 0.10 -0.08 0.56 -0.85 -1.00 -2.10 117.35 112.12 1thg s TYR 346 Ca 0.73 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.86 1thg s TYR 346 Cb -0.26 0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 1thg s TYR 346 CO 0.35 -0.81 -0.17 0.42 -1.52 0.00 0.00 175.55 173.82 1thg s ILE 347 N -3.91 2.79 -0.03 -3.49 1.01 -0.86 -1.82 121.20 114.89 1thg s ILE 347 Ca 0.12 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1thg s ILE 347 Cb 0.01 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.39 1thg s ILE 347 CO -0.03 0.56 -0.06 -0.55 0.00 0.00 0.00 174.94 174.87 1thg s SER 348 N -0.24 0.94 0.35 3.58 0.15 -0.64 -0.87 113.70 116.96 1thg s SER 348 Ca 0.00 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.47 1thg s SER 348 Cb -0.13 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1thg s SER 348 CO 0.03 0.00 0.53 -0.83 1.20 0.00 0.00 173.24 174.17 1thg s GLY 349 N 0.52 1.26 0.04 9.45 0.00 -0.72 -3.03 107.32 114.84 1thg s GLY 349 Ca -0.07 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 1thg s GLY 349 CO 0.00 -0.87 -0.02 -1.31 0.00 0.00 0.00 173.10 170.90 1thg s ASN 350 N -3.20 0.39 0.41 1.64 -0.87 -0.66 -1.13 114.94 111.51 1thg s ASN 350 Ca 0.28 -0.80 -0.22 0.00 -1.57 0.00 0.00 52.86 50.54 1thg s ASN 350 Cb -0.01 0.16 -0.11 0.00 -0.02 0.00 0.00 41.25 41.28 1thg s ASN 350 CO 0.18 -0.49 0.96 -1.10 -2.57 0.00 0.00 177.10 174.08 1thg s GLN 351 N -2.97 4.29 0.30 -0.60 -1.52 -1.26 -0.85 119.66 117.04 1thg s GLN 351 Ca -0.02 1.19 -0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1thg s GLN 351 Cb 0.01 -2.33 0.49 0.00 -0.22 0.00 0.00 33.01 30.95 1thg s GLN 351 CO -0.07 0.02 1.92 1.49 -0.25 0.00 0.00 175.29 178.41 1thg h GLU 352 N 2.21 1.05 -2.28 2.91 4.81 -0.98 -3.31 114.58 118.99 1thg h GLU 352 Ca -0.48 -0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.06 1thg h GLU 352 Cb 1.19 -0.24 -0.40 0.00 0.63 0.00 0.00 28.75 29.93 1thg h GLU 352 CO 0.62 0.69 -0.42 -0.25 -0.73 0.00 0.00 179.01 178.92 1thg n ASP 353 N -4.47 4.29 0.21 1.04 8.00 -0.18 -4.86 116.55 120.59 1thg n ASP 353 Ca 0.13 -3.51 0.04 0.00 0.71 0.00 0.00 54.79 52.16 1thg n ASP 353 Cb 0.15 -0.72 0.45 0.00 -0.02 0.00 0.00 41.12 40.99 1thg n ASP 353 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1thg h GLU 354 N 4.03 0.02 -0.01 -1.24 4.39 -1.74 -3.13 114.58 116.90 1thg h GLU 354 Ca 0.20 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1thg h GLU 354 Cb 0.61 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1thg h GLU 354 CO 0.89 0.25 -0.32 0.41 -1.16 0.00 0.00 179.01 179.08 1thg n GLY 355 N -0.85 -0.80 0.20 -3.84 0.00 -1.25 -4.28 105.19 94.36 1thg n GLY 355 Ca -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1thg n GLY 355 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1thg h THR 356 N 0.85 1.29 0.00 2.61 1.35 -1.76 -1.71 112.91 115.55 1thg h THR 356 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1thg h THR 356 Cb 0.50 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1thg h THR 356 CO 0.00 0.42 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 1thg h ALA 357 N 1.45 1.00 0.00 6.62 0.00 -1.83 -3.17 119.26 123.33 1thg h ALA 357 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1thg h ALA 357 Cb 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1thg h ALA 357 CO 0.06 0.00 -1.89 1.19 0.00 0.00 0.00 179.25 178.61 1thg n PHE 358 N -2.92 0.42 -0.15 0.00 3.72 -0.90 -4.48 117.46 113.15 1thg n PHE 358 Ca 0.03 0.14 0.16 0.00 -0.05 0.00 0.00 57.45 57.72 1thg n PHE 358 Cb 0.39 -0.92 0.52 0.00 -0.94 0.00 0.00 39.48 38.53 1thg n PHE 358 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1thg h ALA 359 N 1.41 2.14 0.00 4.37 0.00 -1.30 -2.28 119.26 123.61 1thg h ALA 359 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1thg h ALA 359 Cb 1.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1thg h ALA 359 CO 0.03 -0.34 0.13 -2.30 0.00 0.00 0.00 179.25 176.77 1thg n PRO 360 N -4.47 0.06 0.16 0.00 -0.02 -1.26 -1.25 135.00 128.23 1thg n PRO 360 Ca 0.14 0.51 0.06 0.00 -2.02 0.00 0.00 63.50 62.19 1thg n PRO 360 Cb 0.53 -1.85 0.54 0.00 -0.02 0.00 0.00 33.50 32.71 1thg n PRO 360 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1thg h VAL 361 N 0.00 1.06 -0.84 -1.45 3.04 -1.74 -2.82 116.25 113.50 1thg h VAL 361 Ca 0.00 -0.17 -0.53 0.00 -1.01 0.00 0.00 66.70 64.99 1thg h VAL 361 Cb 0.27 0.88 -0.28 0.00 -2.01 0.00 0.00 31.29 30.15 1thg h VAL 361 CO 0.00 0.07 0.38 0.00 -1.01 0.00 0.00 177.57 177.00 1thg n ALA 362 N -2.51 5.60 0.27 3.17 0.00 -0.38 -4.68 120.51 121.97 1thg n ALA 362 Ca -0.01 -3.34 0.12 0.00 0.00 0.00 0.00 53.44 50.22 1thg n ALA 362 Cb 0.11 -1.28 0.77 0.00 0.00 0.00 0.00 19.45 19.05 1thg n ALA 362 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1thg h LEU 363 N 1.61 0.00 -0.43 0.00 5.85 -1.63 -2.24 115.31 118.47 1thg h LEU 363 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1thg h LEU 363 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1thg h LEU 363 CO 1.13 0.07 0.00 -0.46 -0.34 0.00 0.00 178.44 178.84 1thg n ASN 364 N -3.87 0.66 -4.64 1.25 6.94 -1.26 -4.85 115.26 109.50 1thg n ASN 364 Ca -0.02 -1.27 -0.42 0.00 -0.02 0.00 0.00 54.58 52.85 1thg n ASN 364 Cb 0.17 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 37.53 1thg n ASN 364 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1thg s ALA 365 N -1.98 3.63 -0.17 -2.53 0.00 -0.85 -4.90 121.76 114.96 1thg s ALA 365 Ca 0.41 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.24 1thg s ALA 365 Cb 0.20 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.97 1thg s ALA 365 CO 0.33 -0.92 0.27 0.25 0.00 0.00 0.00 175.76 175.69 1thg n THR 366 N 5.27 0.00 -4.50 0.00 -2.24 -1.26 -4.19 114.28 107.36 1thg n THR 366 Ca 0.04 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1thg n THR 366 Cb 0.48 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 1thg n THR 366 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1thg s THR 367 N -2.34 1.94 0.23 4.28 -4.23 -1.26 -4.59 115.64 109.67 1thg s THR 367 Ca -0.01 -2.15 -0.08 0.00 -1.18 0.00 0.00 61.69 58.27 1thg s THR 367 Cb 0.06 -2.59 0.20 0.00 1.34 0.00 0.00 72.50 71.51 1thg s THR 367 CO 0.38 -0.22 1.87 0.74 -0.54 0.00 0.00 174.62 176.85 1thg h THR 368 N 2.12 1.14 -0.99 3.99 2.02 -2.00 -1.52 112.91 117.66 1thg h THR 368 Ca -0.41 -0.36 0.19 0.00 0.77 0.00 0.00 66.41 66.60 1thg h THR 368 Cb 1.24 -0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.55 1thg h THR 368 CO 0.70 0.19 0.61 -0.65 0.37 0.00 0.00 175.52 176.74 1thg h PRO 369 N 1.05 0.69 -0.37 6.66 0.11 -1.99 -0.66 132.00 137.48 1thg h PRO 369 Ca 0.33 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 1thg h PRO 369 Cb -0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1thg h PRO 369 CO -0.11 0.45 -0.30 0.45 -0.21 0.00 0.00 178.00 178.28 1thg h HIS 370 N 0.71 0.92 -0.33 0.65 3.86 -1.70 -1.92 115.15 117.33 1thg h HIS 370 Ca 0.57 -0.24 -0.15 0.00 -1.16 0.00 0.00 60.37 59.39 1thg h HIS 370 Cb 0.96 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.21 1thg h HIS 370 CO -0.00 0.99 -0.37 0.28 0.86 0.00 0.00 177.93 179.68 1thg h VAL 371 N 0.67 1.28 -0.53 2.45 2.07 -1.01 -2.51 116.25 118.68 1thg h VAL 371 Ca 0.08 -1.55 0.06 0.00 0.82 0.00 0.00 66.70 66.10 1thg h VAL 371 Cb 0.84 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1thg h VAL 371 CO 0.07 0.51 0.24 0.50 0.02 0.00 0.00 177.57 178.91 1thg h LYS 372 N 0.63 0.45 -0.55 1.57 3.64 -0.96 -0.81 116.57 120.54 1thg h LYS 372 Ca 0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1thg h LYS 372 Cb 0.97 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1thg h LYS 372 CO 0.09 0.30 0.34 -0.22 -2.27 0.00 0.00 179.45 177.69 1thg h LYS 373 N 0.46 0.66 -0.35 1.90 3.64 -1.24 0.70 116.57 122.34 1thg h LYS 373 Ca 0.24 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1thg h LYS 373 Cb 0.20 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1thg h LYS 373 CO -0.20 0.44 -0.09 -1.49 -2.27 0.00 0.00 179.45 175.84 1thg h TRP 374 N 0.68 0.63 -0.07 1.91 4.06 -0.96 -2.17 115.95 120.03 1thg h TRP 374 Ca 0.21 -0.09 -0.16 0.00 2.06 0.00 0.00 58.89 60.91 1thg h TRP 374 Cb -0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 27.97 1thg h TRP 374 CO -0.05 0.66 -0.65 -0.07 -3.56 0.00 0.00 178.44 174.77 1thg h LEU 375 N 0.54 0.32 -1.59 -4.49 3.38 -0.60 -2.20 115.31 110.67 1thg h LEU 375 Ca 0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1thg h LEU 375 Cb 0.49 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1thg h LEU 375 CO 0.03 0.88 -0.20 1.56 0.09 0.00 0.00 178.44 180.80 1thg h GLN 376 N 0.20 0.00 0.04 1.13 4.20 -0.48 -1.18 115.11 119.02 1thg h GLN 376 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1thg h GLN 376 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1thg h GLN 376 CO 0.10 0.20 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.52 1thg h TYR 377 N 0.00 -0.04 -0.33 2.96 3.20 -1.08 -3.13 116.97 118.54 1thg h TYR 377 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1thg h TYR 377 Cb 0.50 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1thg h TYR 377 CO 0.00 0.63 0.11 0.82 -1.64 0.00 0.00 178.16 178.08 1thg h ILE 378 N -0.88 1.20 -3.27 1.81 2.04 -1.29 -0.35 117.51 116.77 1thg h ILE 378 Ca -0.00 -0.64 -0.67 0.00 1.00 0.00 0.00 64.86 64.54 1thg h ILE 378 Cb 0.69 1.01 -0.38 0.00 -0.74 0.00 0.00 36.82 37.40 1thg h ILE 378 CO 0.01 0.22 -0.36 -0.36 0.00 0.00 0.00 178.15 177.66 1thg s PHE 379 N -5.43 3.65 0.55 1.37 0.08 -0.46 -4.26 117.98 113.48 1thg s PHE 379 Ca -0.13 -3.12 0.23 0.00 0.12 0.00 0.00 56.93 54.02 1thg s PHE 379 Cb 0.09 -3.00 1.53 0.00 -0.57 0.00 0.00 43.02 41.07 1thg s PHE 379 CO 0.74 -0.68 2.19 -0.92 -0.10 0.00 0.00 175.22 176.46 1thg h TYR 380 N 5.96 0.00 -0.72 0.36 3.20 -1.55 -2.28 116.97 121.95 1thg h TYR 380 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1thg h TYR 380 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1thg h TYR 380 CO 0.69 0.00 0.00 -0.25 -1.64 0.00 0.00 178.16 176.96 1thg n ASP 381 N -4.21 4.06 -4.77 -2.11 8.00 -1.26 -4.97 116.55 111.28 1thg n ASP 381 Ca -0.03 -2.06 -0.39 0.00 0.71 0.00 0.00 54.79 53.02 1thg n ASP 381 Cb 0.11 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 1thg n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1thg s ALA 382 N -1.12 3.24 0.45 2.24 0.00 -0.86 -4.71 121.76 121.00 1thg s ALA 382 Ca 0.49 1.12 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 1thg s ALA 382 Cb 0.26 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 1thg s ALA 382 CO 0.32 -0.68 1.10 -1.54 0.00 0.00 0.00 175.76 174.96 1thg s SER 383 N -0.87 6.39 0.26 0.00 1.04 -0.43 -4.92 113.70 115.16 1thg s SER 383 Ca 0.56 2.13 -0.04 0.00 0.48 0.00 0.00 55.95 59.08 1thg s SER 383 Cb -0.35 -2.59 0.34 0.00 0.10 0.00 0.00 66.02 63.53 1thg s SER 383 CO 0.45 -0.75 1.90 -0.08 0.98 0.00 0.00 173.24 175.74 1thg h GLU 384 N 2.09 1.22 -0.98 4.02 4.81 -1.93 -2.19 114.58 121.61 1thg h GLU 384 Ca -0.49 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1thg h GLU 384 Cb 1.23 -0.28 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1thg h GLU 384 CO 0.61 0.81 0.65 0.00 -0.73 0.00 0.00 179.01 180.34 1thg h ALA 385 N 1.42 1.26 -0.63 2.92 0.00 -1.98 -0.70 119.26 121.55 1thg h ALA 385 Ca 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1thg h ALA 385 Cb 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1thg h ALA 385 CO -0.13 0.62 0.19 0.77 0.00 0.00 0.00 179.25 180.69 1thg h SER 386 N 1.31 0.89 -0.28 0.00 0.02 -1.74 -1.54 113.55 112.21 1thg h SER 386 Ca 0.37 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1thg h SER 386 Cb -0.12 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 1thg h SER 386 CO -0.09 0.84 -0.30 0.40 -1.14 0.00 0.00 176.83 176.54 1thg h ILE 387 N 0.92 1.30 -0.84 3.27 2.04 -1.02 -2.54 117.51 120.64 1thg h ILE 387 Ca 0.21 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.64 1thg h ILE 387 Cb 0.27 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1thg h ILE 387 CO -0.01 0.47 0.55 0.44 0.00 0.00 0.00 178.15 179.60 1thg h ASP 388 N 0.44 0.85 -0.25 1.72 3.32 -0.90 -1.62 116.42 119.98 1thg h ASP 388 Ca 0.04 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1thg h ASP 388 Cb 0.88 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1thg h ASP 388 CO 0.07 0.57 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.85 1thg h ARG 389 N 0.98 0.72 -0.54 3.56 2.43 -1.13 -2.11 114.38 118.29 1thg h ARG 389 Ca 0.35 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1thg h ARG 389 Cb 0.14 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1thg h ARG 389 CO -0.12 0.88 0.33 0.28 -1.51 0.00 0.00 179.97 179.84 1thg h VAL 390 N 0.63 1.16 0.00 0.20 2.07 -0.93 -1.14 116.25 118.24 1thg h VAL 390 Ca 0.09 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1thg h VAL 390 Cb 0.71 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1thg h VAL 390 CO 0.05 0.16 -0.14 -0.07 0.02 0.00 0.00 177.57 177.59 1thg h LEU 391 N 0.72 0.00 0.00 2.57 3.38 -1.06 0.07 115.31 120.99 1thg h LEU 391 Ca 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 1thg h LEU 391 Cb -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1thg h LEU 391 CO -0.04 0.14 -1.25 0.77 0.09 0.00 0.00 178.44 178.16 1thg h SER 392 N 0.00 0.00 1.41 -0.43 4.64 -0.79 -3.33 113.55 115.05 1thg h SER 392 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1thg h SER 392 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1thg h SER 392 CO 0.02 0.97 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.58 1thg h LEU 393 N 0.00 0.00 -7.42 5.97 3.38 -0.47 -3.37 115.31 113.40 1thg h LEU 393 Ca -0.11 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.21 1thg h LEU 393 Cb 1.84 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.18 1thg h LEU 393 CO 0.11 0.30 -0.63 -0.31 0.09 0.00 0.00 178.44 177.99 1thg s TYR 394 N -3.24 3.25 0.82 1.13 1.51 -0.06 -4.84 117.35 115.92 1thg s TYR 394 Ca 0.03 -3.15 -0.12 0.00 -1.01 0.00 0.00 57.07 52.82 1thg s TYR 394 Cb 0.08 -2.84 0.09 0.00 -0.11 0.00 0.00 41.96 39.17 1thg s TYR 394 CO 0.69 -0.76 1.16 -1.25 -1.11 0.00 0.00 175.55 174.28 1thg s PRO 395 N -0.17 1.86 0.00 -1.71 0.04 -1.26 -4.68 135.00 129.08 1thg s PRO 395 Ca 0.16 0.19 0.27 0.00 0.04 0.00 0.00 61.00 61.66 1thg s PRO 395 Cb -0.25 -1.93 1.43 0.00 0.04 0.00 0.00 34.50 33.79 1thg s PRO 395 CO -0.01 -1.69 1.92 0.00 0.04 0.00 0.00 177.00 177.26 1thg n GLN 396 N -3.40 0.54 -1.67 4.56 10.64 -1.26 -4.76 117.38 122.02 1thg n GLN 396 Ca 0.08 0.03 -0.58 0.00 -1.83 0.00 0.00 57.00 54.69 1thg n GLN 396 Cb 0.60 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.41 1thg n GLN 396 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1thg n THR 397 N -1.19 0.26 -0.12 -0.39 -1.04 -1.26 -4.84 114.28 105.70 1thg n THR 397 Ca 0.15 -0.07 0.02 0.00 -2.04 0.00 0.00 64.05 62.12 1thg n THR 397 Cb 0.17 -1.17 0.33 0.00 -1.82 0.00 0.00 70.33 67.84 1thg n THR 397 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1thg h LEU 398 N 7.61 0.68 -0.76 -4.42 3.38 -1.89 -2.85 115.31 117.07 1thg h LEU 398 Ca -0.43 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1thg h LEU 398 Cb 1.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1thg h LEU 398 CO 0.98 0.49 0.00 0.77 0.09 0.00 0.00 178.44 180.77 1thg h SER 399 N 0.80 0.00 0.12 -0.43 4.64 -1.88 -3.06 113.55 113.75 1thg h SER 399 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1thg h SER 399 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1thg h SER 399 CO -0.05 0.00 -0.52 1.33 -0.87 0.00 0.00 176.83 176.72 1thg n VAL 400 N -3.04 0.00 -1.62 0.95 0.24 -1.08 -4.41 118.33 109.37 1thg n VAL 400 Ca 0.02 -0.14 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1thg n VAL 400 Cb 0.40 0.85 0.03 0.00 -1.47 0.00 0.00 33.84 33.65 1thg n VAL 400 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1thg n GLY 401 N 1.42 -0.40 3.61 7.63 0.00 -1.16 -4.94 105.19 111.36 1thg n GLY 401 Ca 0.09 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1thg n GLY 401 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1thg s SER 402 N -1.72 4.73 -0.14 1.61 0.15 -0.27 -3.52 113.70 114.55 1thg s SER 402 Ca 0.11 -0.08 -0.36 0.00 0.70 0.00 0.00 55.95 56.32 1thg s SER 402 Cb -0.00 -1.16 -0.13 0.00 -1.71 0.00 0.00 66.02 63.01 1thg s SER 402 CO 0.08 0.31 1.80 -2.65 1.20 0.00 0.00 173.24 173.97 1thg n PRO 403 N 1.73 1.76 -2.18 5.44 -0.02 -1.26 -4.17 135.00 136.30 1thg n PRO 403 Ca -0.16 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 1thg n PRO 403 Cb 0.53 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1thg n PRO 403 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1thg s PHE 404 N 3.57 2.63 -1.35 6.00 0.08 -1.23 -3.48 117.98 124.22 1thg s PHE 404 Ca 0.94 1.53 -0.07 0.00 0.12 0.00 0.00 56.93 59.45 1thg s PHE 404 Cb -0.84 -3.38 0.01 0.00 -0.57 0.00 0.00 43.02 38.24 1thg s PHE 404 CO 0.56 -1.76 0.90 0.54 -0.10 0.00 0.00 175.22 175.36 1thg n ARG 405 N -1.18 -6.37 -0.05 0.44 1.74 -1.26 -4.92 116.66 105.06 1thg n ARG 405 Ca 0.11 0.81 0.06 0.00 -0.77 0.00 0.00 57.85 58.06 1thg n ARG 405 Cb 0.50 -5.64 0.09 0.00 -1.02 0.00 0.00 32.46 26.39 1thg n ARG 405 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1thg n THR 406 N -4.70 1.57 -0.02 0.55 -2.24 -1.23 -5.03 114.28 103.18 1thg n THR 406 Ca -0.04 -1.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 1thg n THR 406 Cb 0.58 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1thg n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1thg n GLY 407 N -1.08 3.45 0.90 3.38 0.00 -1.26 -2.07 105.19 108.51 1thg n GLY 407 Ca 0.10 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1thg n GLY 407 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1thg n ILE 408 N 0.00 0.56 -2.08 -0.61 -5.35 -1.26 -3.24 119.36 107.38 1thg n ILE 408 Ca 0.00 -0.62 -0.29 0.00 -0.27 0.00 0.00 62.75 61.57 1thg n ILE 408 Cb 0.00 0.45 0.04 0.00 -1.74 0.00 0.00 39.64 38.38 1thg n ILE 408 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1thg s LEU 409 N -1.19 3.05 -0.51 7.28 1.43 -0.88 -4.30 118.68 123.56 1thg s LEU 409 Ca 0.34 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1thg s LEU 409 Cb 0.18 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1thg s LEU 409 CO 0.25 -1.20 0.00 0.59 0.23 0.00 0.00 176.35 176.22 1thg n ASN 410 N -2.83 -3.90 -4.45 2.29 3.02 -1.26 -4.92 115.26 103.21 1thg n ASN 410 Ca 0.06 0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 1thg n ASN 410 Cb 0.57 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 37.92 1thg n ASN 410 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1thg n ALA 411 N 1.09 3.90 -0.13 5.41 0.00 -1.26 -4.72 120.51 124.80 1thg n ALA 411 Ca -0.05 -4.09 0.11 0.00 0.00 0.00 0.00 53.44 49.41 1thg n ALA 411 Cb 0.21 -3.27 0.46 0.00 0.00 0.00 0.00 19.45 16.85 1thg n ALA 411 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1thg h LEU 412 N 10.65 0.46 -8.60 0.00 5.85 -1.96 -3.43 115.31 118.28 1thg h LEU 412 Ca 0.38 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.86 1thg h LEU 412 Cb 0.85 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.65 1thg h LEU 412 CO 1.37 0.27 -0.58 0.42 -0.34 0.00 0.00 178.44 179.58 1thg s THR 413 N -5.48 0.00 0.54 1.05 -4.23 -1.26 -5.00 115.64 101.26 1thg s THR 413 Ca -0.08 -1.97 0.22 0.00 -1.18 0.00 0.00 61.69 58.68 1thg s THR 413 Cb 0.20 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.88 1thg s THR 413 CO 0.76 0.00 2.11 -0.65 -0.54 0.00 0.00 174.62 176.30 1thg h PRO 414 N 2.56 0.00 -0.01 3.99 0.11 -1.84 -3.06 132.00 133.76 1thg h PRO 414 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1thg h PRO 414 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1thg h PRO 414 CO 0.51 0.00 -0.17 1.04 -0.21 0.00 0.00 178.00 179.17 1thg n GLN 415 N -4.28 2.08 -0.05 1.05 1.13 -1.26 -4.78 117.38 111.27 1thg n GLN 415 Ca 0.01 -0.58 -0.08 0.00 -1.94 0.00 0.00 57.00 54.41 1thg n GLN 415 Cb 0.26 -1.05 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 1thg n GLN 415 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1thg h PHE 416 N 1.00 -0.29 -0.09 1.08 3.57 -1.83 -1.51 116.94 118.86 1thg h PHE 416 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1thg h PHE 416 Cb 0.30 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1thg h PHE 416 CO 0.00 -0.18 -0.21 0.87 -2.23 0.00 0.00 178.31 176.56 1thg h LYS 417 N -0.09 0.16 -0.07 1.11 1.57 -1.81 -0.54 116.57 116.90 1thg h LYS 417 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1thg h LYS 417 Cb 0.28 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1thg h LYS 417 CO -0.30 0.37 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.84 1thg h ARG 418 N 0.15 0.13 -0.64 3.15 2.43 -1.72 -0.44 114.38 117.44 1thg h ARG 418 Ca 0.03 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1thg h ARG 418 Cb 0.46 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1thg h ARG 418 CO 0.03 0.47 0.22 0.28 -1.51 0.00 0.00 179.97 179.47 1thg h VAL 419 N -0.22 1.24 -0.94 0.20 2.07 -1.01 -0.91 116.25 116.68 1thg h VAL 419 Ca 0.02 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1thg h VAL 419 Cb 0.43 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1thg h VAL 419 CO 0.01 0.31 0.61 0.00 0.02 0.00 0.00 177.57 178.52 1thg h ALA 420 N 1.09 1.29 -0.37 1.67 0.00 -1.12 -0.76 119.26 121.07 1thg h ALA 420 Ca 0.21 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1thg h ALA 420 Cb 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1thg h ALA 420 CO -0.01 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.82 1thg h ALA 421 N 1.38 0.50 -0.21 0.00 0.00 -0.81 -1.90 119.26 118.22 1thg h ALA 421 Ca 0.34 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1thg h ALA 421 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1thg h ALA 421 CO -0.07 0.32 0.13 0.82 0.00 0.00 0.00 179.25 180.46 1thg h ILE 422 N 0.49 1.07 -0.48 0.00 2.04 -0.80 -1.75 117.51 118.08 1thg h ILE 422 Ca 0.10 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 1thg h ILE 422 Cb 0.55 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1thg h ILE 422 CO 0.03 0.07 -0.20 -0.07 0.00 0.00 0.00 178.15 177.98 1thg h LEU 423 N 0.27 0.98 -0.22 1.44 3.38 -1.17 0.06 115.31 120.05 1thg h LEU 423 Ca 0.08 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1thg h LEU 423 Cb 0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 1thg h LEU 423 CO -0.02 1.15 -0.20 -1.28 0.09 0.00 0.00 178.44 178.19 1thg h SER 424 N 0.84 -0.63 0.86 -0.43 0.87 -1.19 -1.89 113.55 111.99 1thg h SER 424 Ca 0.11 0.12 -0.23 0.00 -1.23 0.00 0.00 61.79 60.56 1thg h SER 424 Cb 0.77 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1thg h SER 424 CO 0.06 -0.24 -1.16 0.44 -0.53 0.00 0.00 176.83 175.40 1thg h ASP 425 N -0.20 0.04 -0.10 6.23 3.32 -0.96 -1.42 116.42 123.33 1thg h ASP 425 Ca 0.13 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1thg h ASP 425 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1thg h ASP 425 CO -0.34 1.04 -0.25 -0.03 -1.72 0.00 0.00 179.24 177.94 1thg h MET 426 N 0.01 0.34 0.00 3.56 4.05 -0.98 -0.81 114.93 121.10 1thg h MET 426 Ca -0.08 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.03 1thg h MET 426 Cb 1.84 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.66 1thg h MET 426 CO 0.13 0.85 -1.38 1.28 0.23 0.00 0.00 176.91 178.01 1thg n LEU 427 N -4.47 0.65 0.03 3.39 4.77 -0.71 -4.54 117.00 116.12 1thg n LEU 427 Ca -0.08 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1thg n LEU 427 Cb 0.45 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1thg n LEU 427 CO 0.41 -0.02 -0.22 0.49 -1.33 0.00 0.00 177.39 176.72 1thg n PHE 428 N -2.67 -0.31 -0.10 -1.77 3.72 -0.76 -4.72 117.46 110.86 1thg n PHE 428 Ca -0.05 0.05 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1thg n PHE 428 Cb 0.67 0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 39.34 1thg n PHE 428 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1thg h GLN 429 N 0.00 0.89 -0.12 -1.08 1.08 -1.36 -2.84 115.11 111.69 1thg h GLN 429 Ca 0.00 -0.52 -0.01 0.00 -1.45 0.00 0.00 58.65 56.67 1thg h GLN 429 Cb 0.43 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1thg h GLN 429 CO 0.00 1.16 0.03 1.03 -0.95 0.00 0.00 178.83 180.10 1thg h SER 430 N 0.68 0.17 -0.96 1.46 0.87 -1.38 -2.15 113.55 112.23 1thg h SER 430 Ca 0.04 -0.23 0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1thg h SER 430 Cb 1.06 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.89 1thg h SER 430 CO 0.11 0.36 0.61 -0.65 -0.53 0.00 0.00 176.83 176.72 1thg h PRO 431 N -0.02 0.68 -0.11 2.24 0.11 -1.79 -0.05 132.00 133.05 1thg h PRO 431 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1thg h PRO 431 Cb 0.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1thg h PRO 431 CO 0.00 0.45 0.02 -0.09 -0.21 0.00 0.00 178.00 178.17 1thg h ARG 432 N 0.70 0.19 0.00 1.05 2.43 -1.23 -2.75 114.38 114.76 1thg h ARG 432 Ca 0.52 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.56 1thg h ARG 432 Cb 0.88 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1thg h ARG 432 CO -0.28 0.39 -0.37 0.00 -1.51 0.00 0.00 179.97 178.20 1thg h ARG 433 N -0.05 0.00 -0.36 0.20 3.08 -0.83 -1.33 114.38 115.09 1thg h ARG 433 Ca 0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1thg h ARG 433 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1thg h ARG 433 CO 0.00 0.37 0.23 0.28 -1.07 0.00 0.00 179.97 179.78 1thg h VAL 434 N 0.00 1.07 0.10 2.04 2.07 -0.90 -1.98 116.25 118.64 1thg h VAL 434 Ca -0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1thg h VAL 434 Cb 0.71 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1thg h VAL 434 CO 0.05 0.08 -0.05 0.24 0.02 0.00 0.00 177.57 177.91 1thg h MET 435 N 0.46 -0.13 -0.84 1.57 2.86 -1.15 -2.20 114.93 115.51 1thg h MET 435 Ca 0.14 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1thg h MET 435 Cb -0.03 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1thg h MET 435 CO -0.05 0.15 0.55 -0.07 1.06 0.00 0.00 176.91 178.56 1thg h LEU 436 N -0.42 0.83 0.00 1.22 3.38 -1.18 -0.51 115.31 118.63 1thg h LEU 436 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1thg h LEU 436 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1thg h LEU 436 CO 0.02 0.54 -0.63 0.77 0.09 0.00 0.00 178.44 179.23 1thg h SER 437 N 0.94 0.00 0.59 -0.43 4.64 -1.40 -3.34 113.55 114.55 1thg h SER 437 Ca 0.36 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.40 1thg h SER 437 Cb 0.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1thg h SER 437 CO -0.13 0.33 -1.27 0.00 -0.87 0.00 0.00 176.83 174.90 1thg h ALA 438 N 1.67 0.07 -1.22 5.18 0.00 -0.62 -3.39 119.26 120.94 1thg h ALA 438 Ca -0.03 -0.88 -0.78 0.00 0.00 0.00 0.00 54.91 53.22 1thg h ALA 438 Cb 1.28 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.90 1thg h ALA 438 CO 0.04 0.94 1.58 0.25 0.00 0.00 0.00 179.25 182.06 1thg n THR 439 N -3.55 5.05 0.43 0.00 -2.24 -0.30 -4.74 114.28 108.92 1thg n THR 439 Ca -0.09 -5.08 0.13 0.00 -2.27 0.00 0.00 64.05 56.74 1thg n THR 439 Cb 1.03 -2.12 0.48 0.00 -2.10 0.00 0.00 70.33 67.62 1thg n THR 439 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1thg h LYS 440 N 5.25 0.00 -0.64 -0.78 1.57 -1.82 -3.12 116.57 117.02 1thg h LYS 440 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1thg h LYS 440 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1thg h LYS 440 CO 1.46 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.94 1thg n ASP 441 N -2.43 5.10 -4.28 0.86 5.68 -1.26 -4.90 116.55 115.32 1thg n ASP 441 Ca 0.03 -2.58 -0.19 0.00 -0.50 0.00 0.00 54.79 51.54 1thg n ASP 441 Cb 0.31 -0.62 -0.11 0.00 -1.14 0.00 0.00 41.12 39.57 1thg n ASP 441 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1thg s VAL 442 N -2.11 1.53 0.30 2.12 -7.23 -1.18 -5.02 120.40 108.81 1thg s VAL 442 Ca 0.53 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 1thg s VAL 442 Cb 0.36 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 1thg s VAL 442 CO 0.23 -0.41 1.12 0.20 -0.31 0.00 0.00 175.10 175.92 1thg s ASN 443 N -2.64 7.13 0.06 4.85 0.01 -1.26 -4.98 114.94 118.11 1thg s ASN 443 Ca 0.13 2.30 -0.10 0.00 -0.71 0.00 0.00 52.86 54.48 1thg s ASN 443 Cb -0.04 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1thg s ASN 443 CO 0.04 -0.24 0.21 0.00 -1.51 0.00 0.00 177.10 175.61 1thg s ARG 444 N -1.62 0.76 0.04 -0.60 1.70 -1.26 -2.39 118.95 115.59 1thg s ARG 444 Ca 0.47 -0.72 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 1thg s ARG 444 Cb -0.32 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1thg s ARG 444 CO 0.41 -0.23 -0.09 -1.58 -1.08 0.00 0.00 175.30 172.73 1thg s TRP 445 N -2.99 0.78 0.04 5.89 0.51 -0.75 -0.68 118.94 121.73 1thg s TRP 445 Ca -0.02 -0.44 -0.01 0.00 -2.12 0.00 0.00 56.10 53.52 1thg s TRP 445 Cb 0.01 -0.46 -0.03 0.00 -0.81 0.00 0.00 33.47 32.17 1thg s TRP 445 CO -0.06 -0.04 -0.03 -0.08 -0.51 0.00 0.00 176.95 176.23 1thg s THR 446 N -1.18 0.17 0.04 2.01 -1.32 -1.26 -1.62 115.64 112.47 1thg s THR 446 Ca -0.06 -1.40 -0.01 0.00 -1.21 0.00 0.00 61.69 59.00 1thg s THR 446 Cb -0.09 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1thg s THR 446 CO 0.01 -0.77 -0.01 -0.72 -2.21 0.00 0.00 174.62 170.92 1thg s TYR 447 N -2.82 0.36 -0.10 9.09 -0.85 -1.17 -1.13 117.35 120.73 1thg s TYR 447 Ca -0.03 -0.75 0.03 0.00 -0.52 0.00 0.00 57.07 55.80 1thg s TYR 447 Cb -0.00 -0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.09 1thg s TYR 447 CO -0.06 -0.30 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.33 1thg s LEU 448 N -2.17 1.83 -0.24 -3.49 2.96 0.31 -1.66 118.68 116.21 1thg s LEU 448 Ca -0.05 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 1thg s LEU 448 Cb -0.01 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1thg s LEU 448 CO -0.05 0.07 0.12 -0.55 -1.32 0.00 0.00 176.35 174.61 1thg s SER 449 N 0.70 5.69 -0.12 3.68 0.15 -0.03 -1.00 113.70 122.77 1thg s SER 449 Ca -0.12 -0.03 0.17 0.00 0.70 0.00 0.00 55.95 56.67 1thg s SER 449 Cb -0.16 -2.02 0.29 0.00 -1.71 0.00 0.00 66.02 62.41 1thg s SER 449 CO 0.03 0.03 1.16 0.35 1.20 0.00 0.00 173.24 176.01 1thg n THR 450 N 4.54 1.83 0.27 6.45 -2.24 -0.02 -0.82 114.28 124.28 1thg n THR 450 Ca -0.15 -2.09 0.15 0.00 -2.27 0.00 0.00 64.05 59.68 1thg n THR 450 Cb 0.52 -0.16 0.76 0.00 -2.10 0.00 0.00 70.33 69.35 1thg n THR 450 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1thg h HIS 451 N 0.20 0.00 -0.44 4.78 2.07 -1.82 -1.59 115.15 118.35 1thg h HIS 451 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1thg h HIS 451 Cb 0.99 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.97 1thg h HIS 451 CO 0.05 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.19 1thg n LEU 452 N -2.58 4.40 -4.68 6.12 4.77 -1.26 -4.39 117.00 119.39 1thg n LEU 452 Ca -0.01 -2.71 -0.43 0.00 -0.03 0.00 0.00 56.01 52.83 1thg n LEU 452 Cb 0.11 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 1thg n LEU 452 CO 0.16 0.71 1.52 1.57 -1.33 0.00 0.00 177.39 180.02 1thg n HIS 453 N 0.31 2.52 -0.95 -1.77 -0.00 -0.60 -1.11 115.22 113.61 1thg n HIS 453 Ca 0.23 -0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1thg n HIS 453 Cb 0.90 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 1thg n HIS 453 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1thg n ASN 454 N 6.45 -3.80 0.01 0.26 5.03 -1.26 -4.83 115.26 117.11 1thg n ASN 454 Ca 0.20 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.73 1thg n ASN 454 Cb 0.37 -1.98 -0.13 0.00 -1.02 0.00 0.00 39.78 37.02 1thg n ASN 454 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1thg n LEU 455 N 0.00 0.23 -3.85 3.41 4.77 -0.27 -4.79 117.00 116.50 1thg n LEU 455 Ca 0.00 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1thg n LEU 455 Cb 0.22 0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1thg n LEU 455 CO 0.00 0.03 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.05 1thg s VAL 456 N -3.33 1.38 0.28 4.08 1.01 -1.23 -4.66 120.40 117.92 1thg s VAL 456 Ca -0.06 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 1thg s VAL 456 Cb 0.12 -1.95 -0.14 0.00 0.00 0.00 0.00 36.38 34.41 1thg s VAL 456 CO 0.87 -0.52 1.09 -2.65 0.00 0.00 0.00 175.10 173.89 1thg n PRO 457 N 4.66 1.46 0.00 2.72 -0.02 -1.26 -1.04 135.00 141.51 1thg n PRO 457 Ca -0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1thg n PRO 457 Cb 0.43 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1thg n PRO 457 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1thg n PHE 458 N 0.51 0.00 -0.07 6.00 3.72 -1.26 -4.48 117.46 121.88 1thg n PHE 458 Ca 0.10 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.40 1thg n PHE 458 Cb 0.31 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.70 1thg n PHE 458 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1thg n LEU 459 N 0.00 0.42 0.00 4.37 4.77 -1.21 -4.46 117.00 120.89 1thg n LEU 459 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1thg n LEU 459 Cb 0.00 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1thg n LEU 459 CO 0.00 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1thg n GLY 460 N 1.68 1.61 3.45 -0.72 0.00 -0.21 -3.75 105.19 107.25 1thg n GLY 460 Ca -0.27 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 1thg n GLY 460 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thg s THR 461 N 0.00 4.76 0.60 2.61 2.01 -1.26 -4.70 115.64 119.66 1thg s THR 461 Ca 0.00 -1.65 -0.08 0.00 0.31 0.00 0.00 61.69 60.27 1thg s THR 461 Cb 0.00 -4.78 -0.01 0.00 0.01 0.00 0.00 72.50 67.72 1thg s THR 461 CO 0.00 -1.51 0.95 0.72 -0.69 0.00 0.00 174.62 174.09 1thg s PHE 462 N 2.59 3.42 0.12 4.92 -0.71 -1.25 -1.01 117.98 126.07 1thg s PHE 462 Ca 0.33 0.91 -0.33 0.00 -1.04 0.00 0.00 56.93 56.80 1thg s PHE 462 Cb -0.05 -2.71 -0.13 0.00 -1.21 0.00 0.00 43.02 38.92 1thg s PHE 462 CO -0.09 -0.75 1.66 1.58 -1.34 0.00 0.00 175.22 176.28 1thg n HIS 463 N -2.64 2.37 0.00 3.49 -0.00 -1.25 -2.34 115.22 114.84 1thg n HIS 463 Ca 0.04 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 1thg n HIS 463 Cb 0.56 -2.59 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 1thg n HIS 463 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1thg n GLY 464 N 3.70 1.89 0.25 1.57 0.00 -1.26 -4.93 105.19 106.40 1thg n GLY 464 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1thg n GLY 464 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1thg h ASN 465 N 0.00 0.36 0.90 1.61 7.08 -1.86 -3.02 115.58 120.65 1thg h ASN 465 Ca 0.00 -0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 1thg h ASN 465 Cb 0.00 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 36.14 1thg h ASN 465 CO 0.00 0.52 0.00 1.05 -2.08 0.00 0.00 177.43 176.92 1thg h GLU 466 N 0.35 0.00 -0.45 4.14 9.09 -1.92 -2.83 114.58 122.97 1thg h GLU 466 Ca 0.07 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.57 1thg h GLU 466 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 1thg h GLU 466 CO 0.03 0.00 0.31 -0.07 0.05 0.00 0.00 179.01 179.33 1thg h LEU 467 N 0.00 0.17 -1.36 3.06 3.38 -1.95 -1.41 115.31 117.19 1thg h LEU 467 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1thg h LEU 467 Cb 0.45 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1thg h LEU 467 CO 0.00 0.11 -0.31 0.16 0.09 0.00 0.00 178.44 178.48 1thg h ILE 468 N 0.20 1.10 0.00 1.22 3.07 -1.73 -0.92 117.51 120.45 1thg h ILE 468 Ca 0.21 -1.12 -0.08 0.00 1.55 0.00 0.00 64.86 65.42 1thg h ILE 468 Cb 0.57 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 1thg h ILE 468 CO -0.03 0.31 -0.49 -0.26 -1.05 0.00 0.00 178.15 176.63 1thg h PHE 469 N 0.00 0.00 0.06 0.16 0.04 -1.39 0.18 116.94 115.98 1thg h PHE 469 Ca -0.00 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1thg h PHE 469 Cb 0.60 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 1thg h PHE 469 CO 0.00 0.36 -1.54 1.96 -0.60 0.00 0.00 178.31 178.49 1thg h GLN 470 N 0.00 0.13 0.00 1.51 4.20 -1.20 -3.39 115.11 116.35 1thg h GLN 470 Ca -0.02 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1thg h GLN 470 Cb 1.29 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1thg h GLN 470 CO 0.04 0.90 0.00 1.19 -0.67 0.00 0.00 178.83 180.29 1thg n PHE 471 N -3.30 0.00 0.07 2.96 3.72 -0.40 -4.66 117.46 115.85 1thg n PHE 471 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1thg n PHE 471 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1thg n PHE 471 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1thg n ASN 472 N -0.15 0.21 -3.82 4.37 2.85 0.04 -4.80 115.26 113.97 1thg n ASN 472 Ca 0.00 0.25 -0.21 0.00 -0.11 0.00 0.00 54.58 54.51 1thg n ASN 472 Cb 0.05 0.09 -0.17 0.00 1.24 0.00 0.00 39.78 40.99 1thg n ASN 472 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1thg s VAL 473 N -2.00 0.40 -1.15 3.44 -7.23 0.40 -5.02 120.40 109.24 1thg s VAL 473 Ca 0.00 0.03 -0.09 0.00 -1.81 0.00 0.00 61.98 60.12 1thg s VAL 473 Cb 0.00 -0.50 0.25 0.00 0.56 0.00 0.00 36.38 36.69 1thg s VAL 473 CO 0.00 0.23 1.38 0.59 -0.31 0.00 0.00 175.10 176.99 1thg n ASN 474 N 4.61 5.66 -4.20 4.85 4.13 -1.26 -4.00 115.26 125.05 1thg n ASN 474 Ca -0.16 -3.14 -0.23 0.00 1.68 0.00 0.00 54.58 52.72 1thg n ASN 474 Cb 0.50 -1.40 -0.09 0.00 -1.54 0.00 0.00 39.78 37.25 1thg n ASN 474 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1thg s ILE 475 N -0.95 0.71 0.00 2.41 -4.36 -1.26 -4.90 121.20 112.85 1thg s ILE 475 Ca 0.34 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1thg s ILE 475 Cb -0.02 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1thg s ILE 475 CO -0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1thg n GLY 476 N -0.80 3.11 0.42 6.27 0.00 -1.26 -1.89 105.19 111.04 1thg n GLY 476 Ca -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.78 1thg n GLY 476 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1thg n PRO 477 N 13.73 1.31 -0.32 1.61 -0.04 -1.18 -4.40 135.00 145.72 1thg n PRO 477 Ca 0.00 -0.32 0.09 0.00 -0.04 0.00 0.00 63.50 63.24 1thg n PRO 477 Cb 0.00 -1.34 0.26 0.00 -0.04 0.00 0.00 33.50 32.38 1thg n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1thg h ALA 478 N 2.65 1.43 -0.40 0.55 0.00 -1.64 -1.13 119.26 120.71 1thg h ALA 478 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1thg h ALA 478 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1thg h ALA 478 CO 0.03 -0.08 0.27 -0.91 0.00 0.00 0.00 179.25 178.55 1thg h ASN 479 N 0.67 0.45 -0.02 0.00 -0.26 -1.85 0.10 115.58 114.66 1thg h ASN 479 Ca 0.51 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.23 1thg h ASN 479 Cb 0.76 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1thg h ASN 479 CO -0.38 0.32 -0.03 0.28 -1.06 0.00 0.00 177.43 176.57 1thg h SER 480 N 0.53 0.06 0.23 5.81 0.02 -1.56 0.01 113.55 118.66 1thg h SER 480 Ca 0.15 -0.50 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 1thg h SER 480 Cb -0.04 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1thg h SER 480 CO -0.03 0.55 -0.28 1.88 -1.14 0.00 0.00 176.83 177.81 1thg h TYR 481 N -0.42 0.10 0.00 3.45 0.05 -1.27 -2.34 116.97 116.53 1thg h TYR 481 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1thg h TYR 481 Cb 0.53 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1thg h TYR 481 CO 0.10 0.37 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.48 1thg h LEU 482 N 0.08 0.00 -0.04 3.88 3.38 -0.83 -3.36 115.31 118.43 1thg h LEU 482 Ca 0.01 -0.39 -0.23 0.00 0.09 0.00 0.00 57.88 57.36 1thg h LEU 482 Cb 0.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.31 1thg h LEU 482 CO 0.04 0.71 -0.87 0.03 0.09 0.00 0.00 178.44 178.43 1thg h ARG 483 N -1.00 0.66 -0.46 1.13 3.08 -1.01 -1.14 114.38 115.63 1thg h ARG 483 Ca -0.00 -0.66 -0.03 0.00 0.07 0.00 0.00 59.98 59.36 1thg h ARG 483 Cb 0.41 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1thg h ARG 483 CO -0.00 1.26 0.16 1.88 -1.07 0.00 0.00 179.97 182.20 1thg h TYR 484 N 0.31 0.66 0.08 3.04 0.05 -1.58 -1.43 116.97 118.11 1thg h TYR 484 Ca -0.10 -0.03 -0.26 0.00 0.05 0.00 0.00 58.73 58.39 1thg h TYR 484 Cb 1.53 -0.21 0.01 0.00 1.01 0.00 0.00 36.73 39.08 1thg h TYR 484 CO 0.11 0.53 -1.13 0.74 -1.05 0.00 0.00 178.16 177.36 1thg h PHE 485 N 0.66 0.60 -0.20 4.88 -1.00 -1.66 -0.30 116.94 119.91 1thg h PHE 485 Ca 0.16 -0.39 -0.00 0.00 2.81 0.00 0.00 57.97 60.55 1thg h PHE 485 Cb 0.16 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1thg h PHE 485 CO 0.01 1.25 0.11 0.82 -1.61 0.00 0.00 178.31 178.89 1thg h ILE 486 N 0.15 1.10 -0.79 -0.55 2.04 -1.05 -1.12 117.51 117.30 1thg h ILE 486 Ca -0.12 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.52 1thg h ILE 486 Cb 1.81 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1thg h ILE 486 CO 0.19 0.10 0.48 -1.28 0.00 0.00 0.00 178.15 177.64 1thg h SER 487 N 0.22 0.76 -0.71 1.72 0.87 -1.16 -1.60 113.55 113.64 1thg h SER 487 Ca 0.07 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1thg h SER 487 Cb 0.06 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1thg h SER 487 CO -0.01 0.49 0.29 0.15 -0.53 0.00 0.00 176.83 177.22 1thg h PHE 488 N 0.89 1.08 -0.15 2.24 3.57 -0.75 0.15 116.94 123.97 1thg h PHE 488 Ca 0.34 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1thg h PHE 488 Cb 0.15 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1thg h PHE 488 CO -0.04 0.83 -0.13 0.00 -2.23 0.00 0.00 178.31 176.74 1thg h ALA 489 N 1.14 1.52 0.19 2.41 0.00 -0.53 0.15 119.26 124.14 1thg h ALA 489 Ca 0.24 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1thg h ALA 489 Cb 0.20 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1thg h ALA 489 CO -0.02 0.35 -1.40 -0.91 0.00 0.00 0.00 179.25 177.26 1thg h ASN 490 N 0.22 0.64 0.00 0.00 2.35 -0.89 -3.42 115.58 114.48 1thg h ASN 490 Ca 0.05 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1thg h ASN 490 Cb 0.37 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1thg h ASN 490 CO 0.02 1.65 0.00 1.41 -1.65 0.00 0.00 177.43 178.86 1thg n HIS 491 N -3.81 0.00 -2.72 1.19 8.25 0.49 -4.99 115.22 113.64 1thg n HIS 491 Ca -0.20 -0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.07 1thg n HIS 491 Cb 1.01 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1thg n HIS 491 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1thg n HIS 492 N -0.00 -1.50 -3.70 4.41 8.25 0.51 -4.97 115.22 118.22 1thg n HIS 492 Ca 0.00 0.20 -0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1thg n HIS 492 Cb 0.08 -3.52 -0.11 0.00 1.12 0.00 0.00 29.99 27.56 1thg n HIS 492 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1thg s ASP 493 N -2.30 -0.47 0.00 0.41 -1.08 -1.26 -4.99 116.67 106.98 1thg s ASP 493 Ca 0.14 0.84 0.25 0.00 -0.52 0.00 0.00 52.55 53.26 1thg s ASP 493 Cb -0.07 0.74 1.39 0.00 -1.46 0.00 0.00 42.92 43.53 1thg s ASP 493 CO 0.17 -0.19 1.85 -0.81 0.52 0.00 0.00 175.17 176.71 1thg n PRO 494 N 4.30 0.60 -0.74 4.34 -0.04 -1.26 -3.25 135.00 138.95 1thg n PRO 494 Ca -0.23 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1thg n PRO 494 Cb 0.55 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.85 1thg n PRO 494 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1thg n ASN 495 N -1.13 4.95 -4.45 3.54 3.02 -1.26 -4.47 115.26 115.47 1thg n ASN 495 Ca 0.16 -3.00 -0.41 0.00 -0.03 0.00 0.00 54.58 51.29 1thg n ASN 495 Cb 0.13 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 1thg n ASN 495 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1thg s VAL 496 N -2.82 5.02 -1.07 2.41 1.01 -1.26 -4.46 120.40 119.22 1thg s VAL 496 Ca 0.50 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1thg s VAL 496 Cb 0.39 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1thg s VAL 496 CO 0.13 -0.20 0.43 0.61 0.00 0.00 0.00 175.10 176.07 1thg n GLY 497 N 5.09 -0.14 0.09 4.51 0.00 -1.26 -4.73 105.19 108.74 1thg n GLY 497 Ca -0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1thg n GLY 497 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1thg n THR 498 N -4.12 1.33 -3.28 2.61 -2.24 -1.26 -4.95 114.28 102.36 1thg n THR 498 Ca -0.08 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.72 1thg n THR 498 Cb 0.58 -0.76 0.06 0.00 -2.10 0.00 0.00 70.33 68.11 1thg n THR 498 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1thg n ASN 499 N -2.89 -6.25 -4.48 3.42 4.05 -1.26 -5.01 115.26 102.84 1thg n ASN 499 Ca -0.17 -0.40 -0.23 0.00 0.45 0.00 0.00 54.58 54.23 1thg n ASN 499 Cb 0.97 -4.98 -0.11 0.00 1.23 0.00 0.00 39.78 36.90 1thg n ASN 499 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1thg s LEU 500 N -6.93 2.37 0.23 1.20 1.43 -1.26 -5.11 118.68 110.61 1thg s LEU 500 Ca 0.43 -1.35 -0.31 0.00 -1.03 0.00 0.00 54.13 51.87 1thg s LEU 500 Cb -0.19 -0.52 -0.14 0.00 0.03 0.00 0.00 46.19 45.36 1thg s LEU 500 CO 0.53 -0.54 1.25 -0.11 0.23 0.00 0.00 176.35 177.71 1thg n LEU 501 N -0.74 2.37 -4.68 1.79 7.94 -1.26 -4.88 117.00 117.55 1thg n LEU 501 Ca -0.03 1.15 -0.47 0.00 -1.11 0.00 0.00 56.01 55.55 1thg n LEU 501 Cb 0.66 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.23 1thg n LEU 501 CO 0.44 -0.92 1.46 1.67 -1.11 0.00 0.00 177.39 178.92 1thg n GLN 502 N 1.61 2.28 -3.46 1.96 -0.06 -1.26 -4.95 117.38 113.50 1thg n GLN 502 Ca 0.12 0.83 -0.43 0.00 -2.00 0.00 0.00 57.00 55.52 1thg n GLN 502 Cb 0.29 -2.68 -0.09 0.00 -4.06 0.00 0.00 30.24 23.71 1thg n GLN 502 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 1thg s TRP 503 N 3.55 3.26 0.33 3.69 -0.11 -1.26 -4.90 118.94 123.51 1thg s TRP 503 Ca 0.90 -1.00 -0.27 0.00 1.22 0.00 0.00 56.10 56.95 1thg s TRP 503 Cb -0.65 -2.98 -0.09 0.00 -1.50 0.00 0.00 33.47 28.24 1thg s TRP 503 CO 0.48 -0.76 1.04 -0.51 -4.62 0.00 0.00 176.95 172.58 1thg s ASP 504 N 2.28 7.08 0.63 5.86 1.01 -1.26 -4.89 116.67 127.38 1thg s ASP 504 Ca 0.04 2.09 -0.16 0.00 0.71 0.00 0.00 52.55 55.22 1thg s ASP 504 Cb -0.23 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.08 1thg s ASP 504 CO 0.06 -0.26 1.11 0.00 0.21 0.00 0.00 175.17 176.29 1thg s GLN 505 N -1.96 2.97 0.14 8.23 -2.07 -1.26 -4.64 119.66 121.06 1thg s GLN 505 Ca 0.51 1.45 -0.31 0.00 -1.82 0.00 0.00 55.36 55.19 1thg s GLN 505 Cb -0.25 -1.97 -0.08 0.00 -1.09 0.00 0.00 33.01 29.62 1thg s GLN 505 CO 0.32 -1.13 1.34 -0.47 -1.32 0.00 0.00 175.29 174.03 1thg s TYR 506 N -2.18 3.28 0.19 9.60 6.14 0.14 -4.50 117.35 130.01 1thg s TYR 506 Ca 0.68 1.09 0.08 0.00 0.64 0.00 0.00 57.07 59.56 1thg s TYR 506 Cb -0.21 -3.62 -0.04 0.00 0.42 0.00 0.00 41.96 38.50 1thg s TYR 506 CO 0.37 -2.07 -0.16 0.95 0.64 0.00 0.00 175.55 175.28 1thg s THR 507 N 0.77 1.78 0.30 4.34 -4.23 -1.26 -4.54 115.64 112.81 1thg s THR 507 Ca 0.61 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1thg s THR 507 Cb -0.36 -1.94 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1thg s THR 507 CO 0.33 -0.46 1.72 0.44 -0.54 0.00 0.00 174.62 176.10 1thg h ASP 508 N 2.90 0.23 0.10 3.99 3.32 -1.96 0.96 116.42 125.95 1thg h ASP 508 Ca -0.40 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1thg h ASP 508 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1thg h ASP 508 CO 0.57 0.61 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.32 1thg h GLU 509 N 0.19 -0.13 0.00 3.56 5.08 -2.01 -3.37 114.58 117.89 1thg h GLU 509 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1thg h GLU 509 Cb 0.79 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1thg h GLU 509 CO 0.06 0.33 -1.07 0.41 -1.00 0.00 0.00 179.01 177.74 1thg n GLY 510 N 0.28 -1.07 4.04 -3.84 0.00 -1.22 -5.01 105.19 98.37 1thg n GLY 510 Ca -0.08 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1thg n GLY 510 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1thg n LYS 511 N -1.69 -3.30 -2.11 1.61 5.02 0.33 -4.79 118.16 113.23 1thg n LYS 511 Ca 0.03 0.40 -0.40 0.00 -2.02 0.00 0.00 58.31 56.31 1thg n LYS 511 Cb 0.38 -4.71 -0.02 0.00 -0.02 0.00 0.00 35.03 30.66 1thg n LYS 511 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1thg s GLU 512 N -6.69 4.19 -0.11 1.97 8.01 -1.26 -0.75 118.70 124.06 1thg s GLU 512 Ca 0.25 2.16 -0.08 0.00 0.01 0.00 0.00 54.97 57.32 1thg s GLU 512 Cb -0.14 -2.93 0.04 0.00 -4.31 0.00 0.00 34.13 26.80 1thg s GLU 512 CO 0.90 -0.30 0.27 1.41 0.01 0.00 0.00 175.26 177.55 1thg s MET 513 N -1.99 0.28 0.12 1.61 1.75 -0.72 -4.06 119.30 116.28 1thg s MET 513 Ca 0.52 0.47 -0.28 0.00 -1.25 0.00 0.00 55.69 55.15 1thg s MET 513 Cb -0.38 0.03 -0.06 0.00 2.84 0.00 0.00 34.83 37.25 1thg s MET 513 CO 0.50 -0.10 0.90 -1.17 -0.65 0.00 0.00 175.02 174.50 1thg s LEU 514 N 0.69 4.52 -0.25 4.11 2.96 -0.28 -0.30 118.68 130.13 1thg s LEU 514 Ca -0.04 1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 55.53 1thg s LEU 514 Cb -0.06 -3.49 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1thg s LEU 514 CO -0.04 0.01 0.03 -0.70 -1.32 0.00 0.00 176.35 174.33 1thg s GLU 515 N -0.29 3.44 -0.23 1.98 2.12 0.25 -0.53 118.70 125.44 1thg s GLU 515 Ca 0.43 -0.61 -0.14 0.00 0.36 0.00 0.00 54.97 55.02 1thg s GLU 515 Cb -0.23 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1thg s GLU 515 CO 0.28 -0.24 0.30 0.42 -0.54 0.00 0.00 175.26 175.48 1thg s ILE 516 N 1.54 5.26 0.44 -3.70 1.01 -0.17 -1.48 121.20 124.10 1thg s ILE 516 Ca 0.05 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1thg s ILE 516 Cb -0.15 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1thg s ILE 516 CO 0.01 0.27 0.27 1.41 0.00 0.00 0.00 174.94 176.90 1thg n HIS 517 N 4.57 -0.42 -0.22 3.97 8.25 -0.41 -0.84 115.22 130.12 1thg n HIS 517 Ca -0.11 -1.94 -0.06 0.00 -0.26 0.00 0.00 57.72 55.35 1thg n HIS 517 Cb 0.51 -0.35 0.04 0.00 1.12 0.00 0.00 29.99 31.31 1thg n HIS 517 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1thg h MET 518 N 0.00 0.84 0.00 -0.41 4.05 -1.90 -3.36 114.93 114.15 1thg h MET 518 Ca -0.30 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1thg h MET 518 Cb 1.04 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1thg h MET 518 CO 0.47 0.60 -0.20 0.25 0.23 0.00 0.00 176.91 178.26 1thg n THR 519 N -4.61 0.00 -4.04 -0.77 -2.24 -1.26 -3.08 114.28 98.28 1thg n THR 519 Ca 0.04 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1thg n THR 519 Cb 0.05 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1thg n THR 519 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1thg s ASP 520 N -1.05 0.13 0.18 3.42 -4.77 -1.26 -5.08 116.67 108.24 1thg s ASP 520 Ca 0.00 -1.01 0.06 0.00 -3.30 0.00 0.00 52.55 48.29 1thg s ASP 520 Cb 0.00 0.39 -0.05 0.00 -1.09 0.00 0.00 42.92 42.17 1thg s ASP 520 CO 0.00 -0.84 -0.11 0.20 0.70 0.00 0.00 175.17 175.12 1thg s ASN 521 N -3.01 2.12 -0.01 2.11 0.02 -1.26 -1.29 114.94 113.63 1thg s ASN 521 Ca 0.21 -1.04 -0.09 0.00 -1.02 0.00 0.00 52.86 50.91 1thg s ASN 521 Cb 0.05 -0.06 0.01 0.00 0.02 0.00 0.00 41.25 41.27 1thg s ASN 521 CO 0.02 -0.29 0.19 0.54 0.02 0.00 0.00 177.10 177.58 1thg s VAL 522 N -3.19 0.07 0.28 1.60 0.11 -0.55 -4.93 120.40 113.78 1thg s VAL 522 Ca 0.20 -0.55 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 1thg s VAL 522 Cb 0.02 -0.46 -0.09 0.00 -1.53 0.00 0.00 36.38 34.31 1thg s VAL 522 CO 0.04 -0.30 0.79 -0.04 -3.33 0.00 0.00 175.10 172.26 1thg s MET 523 N -1.19 4.28 0.00 1.54 -1.94 -1.26 -0.58 119.30 120.15 1thg s MET 523 Ca -0.13 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 54.81 1thg s MET 523 Cb -0.06 -2.73 0.00 0.00 2.01 0.00 0.00 34.83 34.05 1thg s MET 523 CO 0.02 0.30 0.00 2.89 -0.01 0.00 0.00 175.02 178.22 1thg n ARG 524 N 0.40 0.00 -4.22 2.03 1.85 0.59 -4.86 116.66 112.44 1thg n ARG 524 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.69 1thg n ARG 524 Cb 0.51 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.81 1thg n ARG 524 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1thg s THR 525 N -1.73 1.21 -1.30 8.89 -4.23 -1.26 -1.75 115.64 115.47 1thg s THR 525 Ca 0.00 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 58.67 1thg s THR 525 Cb 0.00 -1.49 0.13 0.00 1.34 0.00 0.00 72.50 72.48 1thg s THR 525 CO 0.00 -0.47 1.77 -0.67 -0.54 0.00 0.00 174.62 174.71 1thg n ASP 526 N 0.51 4.88 0.00 3.99 2.03 0.07 -4.60 116.55 123.43 1thg n ASP 526 Ca -0.15 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1thg n ASP 526 Cb 0.57 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1thg n ASP 526 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1thg n ASP 527 N 5.76 1.51 -4.87 1.67 5.68 -1.26 -5.04 116.55 120.00 1thg n ASP 527 Ca 0.43 -1.54 -0.31 0.00 -0.50 0.00 0.00 54.79 52.88 1thg n ASP 527 Cb 0.41 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.35 1thg n ASP 527 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1thg s TYR 528 N -0.54 3.45 -1.45 2.11 -0.85 -1.26 -4.39 117.35 114.42 1thg s TYR 528 Ca 0.00 1.02 -0.01 0.00 -0.52 0.00 0.00 57.07 57.55 1thg s TYR 528 Cb 0.00 -2.41 0.00 0.00 0.38 0.00 0.00 41.96 39.94 1thg s TYR 528 CO 0.00 -0.01 0.02 0.54 -1.52 0.00 0.00 175.55 174.58 1thg n ARG 529 N -1.00 -0.92 -0.11 -3.49 1.74 -1.26 -4.86 116.66 106.75 1thg n ARG 529 Ca 0.02 0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 1thg n ARG 529 Cb 0.54 -3.34 -0.02 0.00 -1.02 0.00 0.00 32.46 28.61 1thg n ARG 529 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1thg h ILE 530 N -1.66 1.19 -0.36 0.55 2.04 -1.97 -0.99 117.51 116.31 1thg h ILE 530 Ca -0.62 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1thg h ILE 530 Cb 1.32 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1thg h ILE 530 CO 0.66 0.21 0.08 -0.08 0.00 0.00 0.00 178.15 179.02 1thg h GLU 531 N 0.39 0.58 0.04 2.37 4.81 -1.96 -0.38 114.58 120.42 1thg h GLU 531 Ca 0.11 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1thg h GLU 531 Cb 0.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1thg h GLU 531 CO -0.01 0.64 -0.02 0.78 -0.73 0.00 0.00 179.01 179.67 1thg h GLY 532 N 0.43 -0.05 1.21 1.92 0.00 -1.86 -2.10 103.07 102.62 1thg h GLY 532 Ca 0.11 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 1thg h GLY 532 CO 0.00 -0.02 -0.20 -2.22 0.00 0.00 0.00 176.54 174.11 1thg h ILE 533 N -0.32 1.27 -0.95 2.60 2.04 -1.17 -2.90 117.51 118.08 1thg h ILE 533 Ca -0.01 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.54 1thg h ILE 533 Cb 0.29 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1thg h ILE 533 CO 0.01 0.46 0.63 -1.28 0.00 0.00 0.00 178.15 177.96 1thg h SER 534 N 0.79 1.07 -0.57 1.72 0.87 -1.03 -1.39 113.55 115.01 1thg h SER 534 Ca 0.11 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1thg h SER 534 Cb 0.74 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1thg h SER 534 CO 0.06 0.75 0.23 -1.13 -0.53 0.00 0.00 176.83 176.21 1thg h ASN 535 N 1.25 0.82 -0.13 6.23 -1.24 -1.18 -0.82 115.58 120.51 1thg h ASN 535 Ca 0.37 -0.12 -0.11 0.00 0.71 0.00 0.00 56.30 57.15 1thg h ASN 535 Cb -0.07 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 1thg h ASN 535 CO -0.10 0.75 -0.28 -0.26 -1.29 0.00 0.00 177.43 176.25 1thg h PHE 536 N 0.88 0.68 -0.61 0.67 0.04 -1.21 -0.21 116.94 117.19 1thg h PHE 536 Ca 0.21 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1thg h PHE 536 Cb 0.19 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1thg h PHE 536 CO 0.01 0.81 0.23 0.93 -0.60 0.00 0.00 178.31 179.69 1thg h GLU 537 N 0.52 0.89 0.00 1.51 5.08 -0.15 -3.34 114.58 119.09 1thg h GLU 537 Ca 0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1thg h GLU 537 Cb 0.74 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1thg h GLU 537 CO 0.06 0.74 -1.57 0.25 -1.00 0.00 0.00 179.01 177.50 1thg n THR 538 N -4.31 0.00 -2.69 1.13 -2.24 -0.60 -4.87 114.28 100.71 1thg n THR 538 Ca 0.05 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1thg n THR 538 Cb 0.18 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1thg n THR 538 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1thg s ASP 539 N -3.56 6.52 0.53 3.42 2.15 -0.11 -4.81 116.67 120.81 1thg s ASP 539 Ca -0.04 -1.59 0.23 0.00 0.43 0.00 0.00 52.55 51.58 1thg s ASP 539 Cb 0.10 -2.51 1.38 0.00 -0.30 0.00 0.00 42.92 41.59 1thg s ASP 539 CO 0.62 -1.38 2.06 -0.37 -0.17 0.00 0.00 175.17 175.92 1thg h VAL 540 N 6.43 0.79 0.00 1.11 -1.51 -1.89 -1.92 116.25 119.27 1thg h VAL 540 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 1thg h VAL 540 Cb 1.02 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1thg h VAL 540 CO 1.31 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 178.24 1thg n ASN 541 N -4.37 0.00 0.11 4.19 4.13 -1.26 -1.51 115.26 116.55 1thg n ASN 541 Ca 0.05 -0.17 -0.01 0.00 1.68 0.00 0.00 54.58 56.13 1thg n ASN 541 Cb 0.41 -0.18 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 1thg n ASN 541 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1thg h LEU 542 N 0.00 0.00 -8.90 3.41 3.38 -1.69 -1.14 115.31 110.37 1thg h LEU 542 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1thg h LEU 542 Cb 0.10 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.64 1thg h LEU 542 CO 0.00 0.67 -0.67 -0.31 0.09 0.00 0.00 178.44 178.22 1thg s TYR 543 N -2.90 3.01 0.00 1.13 2.02 -0.57 -3.95 117.35 116.09 1thg s TYR 543 Ca 0.03 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1thg s TYR 543 Cb 0.09 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1thg s TYR 543 CO 0.77 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 175.20