#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tye s ASN 2 N 0.00 6.46 -0.27 1.96 2.47 -1.26 -4.81 114.94 119.49 1tye s ASN 2 Ca 0.00 2.67 -0.24 0.00 0.42 0.00 0.00 52.86 55.71 1tye s ASN 2 Cb 0.00 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1tye s ASN 2 CO 0.00 -1.02 0.79 -0.76 -3.72 0.00 0.00 177.10 172.39 1tye s LEU 3 N 3.77 4.08 -0.23 3.21 1.43 -1.26 -3.61 118.68 126.06 1tye s LEU 3 Ca 0.84 0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 54.50 1tye s LEU 3 Cb -0.43 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1tye s LEU 3 CO 0.39 -0.55 1.97 -0.62 0.23 0.00 0.00 176.35 177.77 1tye s ASP 4 N 1.48 5.82 -0.14 2.29 2.15 -0.98 -4.90 116.67 122.40 1tye s ASP 4 Ca 0.33 1.72 0.02 0.00 0.43 0.00 0.00 52.55 55.05 1tye s ASP 4 Cb -0.15 -2.52 0.25 0.00 -0.30 0.00 0.00 42.92 40.20 1tye s ASP 4 CO 0.10 -1.69 1.21 -0.81 -0.17 0.00 0.00 175.17 173.81 1tye n PRO 5 N 8.38 1.71 0.00 4.34 -0.04 -1.26 -4.13 135.00 144.00 1tye n PRO 5 Ca 0.25 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1tye n PRO 5 Cb 0.45 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1tye n PRO 5 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tye n VAL 6 N 0.01 0.00 -0.55 0.52 0.31 -1.26 -4.80 118.33 112.56 1tye n VAL 6 Ca 0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.35 1tye n VAL 6 Cb 0.82 -0.78 0.07 0.00 -0.91 0.00 0.00 33.84 33.04 1tye n VAL 6 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1tye n GLN 7 N -2.55 1.78 -2.57 5.55 7.27 -1.26 -4.94 117.38 120.65 1tye n GLN 7 Ca 0.00 -1.67 -0.40 0.00 0.07 0.00 0.00 57.00 55.00 1tye n GLN 7 Cb 0.22 -1.65 -0.05 0.00 2.41 0.00 0.00 30.24 31.17 1tye n GLN 7 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1tye s LEU 8 N -1.89 4.56 0.05 1.69 2.34 -1.26 -4.93 118.68 119.25 1tye s LEU 8 Ca 0.32 2.15 -0.18 0.00 0.06 0.00 0.00 54.13 56.49 1tye s LEU 8 Cb 0.26 -3.65 -0.06 0.00 -0.56 0.00 0.00 46.19 42.17 1tye s LEU 8 CO 0.03 -0.06 0.51 -0.89 -1.06 0.00 0.00 176.35 174.88 1tye s THR 9 N -1.20 4.85 -0.06 5.48 2.01 -1.01 -4.92 115.64 120.79 1tye s THR 9 Ca 0.44 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.56 1tye s THR 9 Cb -0.29 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1tye s THR 9 CO 0.37 0.56 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.30 1tye s PHE 10 N -1.11 2.54 0.08 4.92 0.08 -1.26 -0.38 117.98 122.86 1tye s PHE 10 Ca 0.27 -0.49 0.09 0.00 0.12 0.00 0.00 56.93 56.93 1tye s PHE 10 Cb -0.18 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1tye s PHE 10 CO 0.17 -0.06 -0.25 0.71 -0.10 0.00 0.00 175.22 175.69 1tye s TYR 11 N -0.36 2.15 0.05 0.36 2.02 -0.32 -0.37 117.35 120.88 1tye s TYR 11 Ca 0.03 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1tye s TYR 11 Cb -0.12 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1tye s TYR 11 CO 0.02 0.19 0.04 0.00 -1.57 0.00 0.00 175.55 174.23 1tye s ALA 12 N -0.92 0.23 0.41 3.71 0.00 -1.09 -1.41 121.76 122.68 1tye s ALA 12 Ca 0.11 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1tye s ALA 12 Cb -0.10 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1tye s ALA 12 CO 0.03 -0.38 0.15 0.20 0.00 0.00 0.00 175.76 175.77 1tye s GLY 13 N -2.68 2.62 0.70 0.00 0.00 -0.87 -4.17 107.32 102.92 1tye s GLY 13 Ca 0.03 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.29 1tye s GLY 13 CO -0.09 -1.79 0.97 -1.55 0.00 0.00 0.00 173.10 170.65 1tye n PRO 14 N -0.89 0.60 -1.96 2.90 -0.04 -1.26 -4.91 135.00 129.44 1tye n PRO 14 Ca -0.04 0.26 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 1tye n PRO 14 Cb 0.64 -2.22 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1tye n PRO 14 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1tye s ASN 15 N -1.56 6.25 0.00 3.54 3.04 -1.26 -2.84 114.94 122.11 1tye s ASN 15 Ca 0.74 2.78 0.00 0.00 0.04 0.00 0.00 52.86 56.42 1tye s ASN 15 Cb -0.36 -2.65 0.00 0.00 -1.54 0.00 0.00 41.25 36.70 1tye s ASN 15 CO 0.49 -0.91 0.00 0.61 -3.04 0.00 0.00 177.10 174.26 1tye n GLY 16 N 0.63 1.28 0.00 1.21 0.00 -1.26 -4.84 105.19 102.21 1tye n GLY 16 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1tye n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tye n SER 17 N 0.00 0.00 -3.58 1.61 3.41 -1.13 -4.69 113.62 109.25 1tye n SER 17 Ca 0.00 0.49 -0.23 0.00 -0.26 0.00 0.00 58.87 58.87 1tye n SER 17 Cb 0.00 -0.49 0.08 0.00 -0.26 0.00 0.00 64.21 63.54 1tye n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye n GLN 18 N -1.49 -7.67 -1.77 4.33 6.02 -1.26 -1.61 117.38 113.93 1tye n GLN 18 Ca 0.06 0.83 -0.42 0.00 -0.01 0.00 0.00 57.00 57.46 1tye n GLN 18 Cb 0.31 -5.87 -0.03 0.00 1.02 0.00 0.00 30.24 25.66 1tye n GLN 18 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1tye s PHE 19 N -3.33 2.91 0.00 1.08 5.36 -1.26 -2.28 117.98 120.47 1tye s PHE 19 Ca 0.48 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.90 1tye s PHE 19 Cb -0.21 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.37 1tye s PHE 19 CO 0.73 -4.08 0.00 0.41 -1.46 0.00 0.00 175.22 170.83 1tye n GLY 20 N 3.69 0.78 0.28 13.12 0.00 -0.87 -3.42 105.19 118.77 1tye n GLY 20 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1tye n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tye h PHE 21 N 0.00 0.34 -3.95 1.61 3.04 -1.24 -3.35 116.94 113.39 1tye h PHE 21 Ca 0.00 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 1tye h PHE 21 Cb 0.00 -0.11 -0.14 0.00 2.56 0.00 0.00 35.95 38.26 1tye h PHE 21 CO 0.00 0.29 -0.44 -1.54 -2.02 0.00 0.00 178.31 174.60 1tye s SER 22 N -6.83 0.19 -0.08 0.41 1.04 -1.25 -4.58 113.70 102.61 1tye s SER 22 Ca -0.07 -0.79 -0.31 0.00 0.48 0.00 0.00 55.95 55.26 1tye s SER 22 Cb 0.17 0.33 0.12 0.00 0.10 0.00 0.00 66.02 66.73 1tye s SER 22 CO 0.72 -0.73 0.99 -1.48 0.98 0.00 0.00 173.24 173.72 1tye s LEU 23 N -2.90 -0.30 0.06 2.42 0.05 -1.26 -2.06 118.68 114.68 1tye s LEU 23 Ca 0.09 0.06 -0.26 0.00 0.05 0.00 0.00 54.13 54.06 1tye s LEU 23 Cb 0.05 1.82 0.08 0.00 -2.05 0.00 0.00 46.19 46.10 1tye s LEU 23 CO -0.08 -0.47 0.72 -0.62 -0.55 0.00 0.00 176.35 175.35 1tye s ASP 24 N -2.19 -0.51 0.13 1.48 2.15 -0.85 -4.84 116.67 112.04 1tye s ASP 24 Ca 0.05 0.14 -0.26 0.00 0.43 0.00 0.00 52.55 52.91 1tye s ASP 24 Cb -0.01 0.51 -0.07 0.00 -0.30 0.00 0.00 42.92 43.05 1tye s ASP 24 CO -0.06 -0.77 0.82 -0.36 -0.17 0.00 0.00 175.17 174.63 1tye s PHE 25 N -2.97 3.85 -0.23 -5.34 0.08 -1.26 -0.48 117.98 111.62 1tye s PHE 25 Ca 0.00 1.64 0.01 0.00 0.12 0.00 0.00 56.93 58.70 1tye s PHE 25 Cb -0.01 -2.86 0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1tye s PHE 25 CO -0.07 0.38 -0.13 -1.58 -0.10 0.00 0.00 175.22 173.72 1tye s HIS 26 N -0.60 3.04 -0.73 0.36 5.65 0.92 -4.54 115.29 119.40 1tye s HIS 26 Ca 0.39 -1.87 -0.10 0.00 0.25 0.00 0.00 55.06 53.73 1tye s HIS 26 Cb -0.23 -1.96 0.19 0.00 -1.18 0.00 0.00 32.58 29.40 1tye s HIS 26 CO 0.26 -0.81 0.62 0.15 -0.65 0.00 0.00 174.74 174.31 1tye s LYS 27 N 1.23 3.16 1.35 2.88 1.02 -1.26 -1.08 119.74 127.03 1tye s LYS 27 Ca -0.02 -2.44 -0.22 0.00 0.02 0.00 0.00 55.97 53.32 1tye s LYS 27 Cb -0.17 -4.15 0.34 0.00 -0.52 0.00 0.00 37.83 33.34 1tye s LYS 27 CO -0.08 -1.24 0.99 0.16 -0.92 0.00 0.00 175.35 174.26 1tye s ASP 28 N 1.68 -0.39 0.15 2.83 -4.77 -1.25 -4.59 116.67 110.32 1tye s ASP 28 Ca 0.17 0.78 0.11 0.00 -3.30 0.00 0.00 52.55 50.30 1tye s ASP 28 Cb -0.15 -1.09 0.58 0.00 -1.09 0.00 0.00 42.92 41.16 1tye s ASP 28 CO -0.06 -4.95 1.34 -1.54 0.70 0.00 0.00 175.17 170.66 1tye n SER 29 N -5.34 0.27 0.00 2.11 3.41 -1.26 -3.40 113.62 109.41 1tye n SER 29 Ca 0.13 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1tye n SER 29 Cb 0.60 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1tye n SER 29 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1tye n HIS 30 N -1.86 0.00 0.00 7.33 -0.00 -1.26 -5.08 115.22 114.35 1tye n HIS 30 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1tye n HIS 30 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 1tye n HIS 30 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1tye n GLY 31 N 3.84 0.00 2.91 -1.41 0.00 -1.22 -5.15 105.19 104.17 1tye n GLY 31 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1tye n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tye n ARG 32 N -0.04 -3.46 -5.11 1.61 1.74 -1.26 -4.81 116.66 105.32 1tye n ARG 32 Ca 0.00 -1.41 -0.29 0.00 -0.77 0.00 0.00 57.85 55.38 1tye n ARG 32 Cb 0.00 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 1tye n ARG 32 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1tye s VAL 33 N -2.43 1.80 0.24 1.55 1.01 -1.26 -3.88 120.40 117.42 1tye s VAL 33 Ca 0.60 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1tye s VAL 33 Cb -0.08 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1tye s VAL 33 CO 0.47 0.51 0.03 0.00 0.00 0.00 0.00 175.10 176.11 1tye s ALA 34 N -0.30 1.76 -0.23 5.51 0.00 -0.24 -3.14 121.76 125.11 1tye s ALA 34 Ca 0.02 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1tye s ALA 34 Cb -0.11 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.71 1tye s ALA 34 CO 0.01 -0.32 -0.11 0.42 0.00 0.00 0.00 175.76 175.75 1tye s ILE 35 N -3.54 2.43 -0.13 0.00 1.01 0.74 -0.05 121.20 121.66 1tye s ILE 35 Ca 0.31 -1.21 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1tye s ILE 35 Cb 0.07 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1tye s ILE 35 CO 0.10 0.21 0.97 -0.69 0.00 0.00 0.00 174.94 175.53 1tye s VAL 36 N 1.24 4.80 -0.10 2.92 1.01 0.36 -1.27 120.40 129.36 1tye s VAL 36 Ca -0.02 1.96 0.03 0.00 0.00 0.00 0.00 61.98 63.96 1tye s VAL 36 Cb -0.17 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1tye s VAL 36 CO -0.07 -0.00 -0.20 -0.69 0.00 0.00 0.00 175.10 174.14 1tye s VAL 37 N 2.10 1.79 -0.11 2.92 1.01 0.89 -2.00 120.40 127.00 1tye s VAL 37 Ca 0.46 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1tye s VAL 37 Cb -0.18 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1tye s VAL 37 CO 0.16 0.50 0.29 -0.83 0.00 0.00 0.00 175.10 175.22 1tye s GLY 38 N 0.55 2.27 -0.43 4.51 0.00 -0.88 -0.28 107.32 113.07 1tye s GLY 38 Ca -0.15 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.16 1tye s GLY 38 CO 0.05 0.21 0.25 0.00 0.00 0.00 0.00 173.10 173.61 1tye s ALA 39 N -0.21 1.83 -2.00 3.20 0.00 0.25 -2.05 121.76 122.78 1tye s ALA 39 Ca 0.18 -2.45 0.07 0.00 0.00 0.00 0.00 51.96 49.77 1tye s ALA 39 Cb -0.14 -1.79 0.43 0.00 0.00 0.00 0.00 23.12 21.62 1tye s ALA 39 CO 0.06 -2.07 0.85 -0.35 0.00 0.00 0.00 175.76 174.25 1tye n PRO 40 N 3.52 0.27 0.00 0.00 -0.04 -1.18 -0.25 135.00 137.33 1tye n PRO 40 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1tye n PRO 40 Cb 0.37 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1tye n PRO 40 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1tye n ARG 41 N -0.91 2.10 -1.71 0.54 5.12 -0.63 -3.82 116.66 117.34 1tye n ARG 41 Ca 0.05 -1.20 -0.43 0.00 -1.93 0.00 0.00 57.85 54.34 1tye n ARG 41 Cb 0.02 -0.87 -0.03 0.00 -1.16 0.00 0.00 32.46 30.43 1tye n ARG 41 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1tye n THR 42 N -0.35 0.20 -2.31 0.55 -1.04 -1.13 -4.51 114.28 105.69 1tye n THR 42 Ca 0.00 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 1tye n THR 42 Cb 0.31 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 1tye n THR 42 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1tye s LEU 43 N 0.81 4.19 0.51 -4.42 1.02 -1.26 -1.41 118.68 118.12 1tye s LEU 43 Ca 0.74 2.33 -0.00 0.00 0.02 0.00 0.00 54.13 57.22 1tye s LEU 43 Cb -0.55 -4.03 0.01 0.00 0.02 0.00 0.00 46.19 41.65 1tye s LEU 43 CO 0.37 -0.66 0.74 -0.83 0.02 0.00 0.00 176.35 175.99 1tye s GLY 44 N -1.15 1.65 0.00 -3.19 0.00 -0.76 -4.87 107.32 99.00 1tye s GLY 44 Ca 0.57 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1tye s GLY 44 CO 0.38 -0.86 0.92 -1.05 0.00 0.00 0.00 173.10 172.50 1tye n PRO 45 N -2.25 0.00 0.00 2.90 -0.02 -1.26 0.07 135.00 134.44 1tye n PRO 45 Ca 0.04 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1tye n PRO 45 Cb 0.58 -1.54 0.39 0.00 -0.02 0.00 0.00 33.50 32.91 1tye n PRO 45 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1tye n SER 46 N -1.42 1.14 -2.12 2.55 3.41 -1.26 -4.96 113.62 110.95 1tye n SER 46 Ca 0.00 -1.01 -0.14 0.00 -0.26 0.00 0.00 58.87 57.46 1tye n SER 46 Cb 0.04 0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 1tye n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye n GLN 47 N -0.48 -3.93 -4.36 4.33 1.13 0.11 -5.05 117.38 109.13 1tye n GLN 47 Ca 0.13 0.50 -0.19 0.00 -1.94 0.00 0.00 57.00 55.51 1tye n GLN 47 Cb 0.35 -4.53 -0.14 0.00 0.11 0.00 0.00 30.24 26.03 1tye n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1tye s GLU 48 N -5.54 0.79 -0.37 -1.09 2.12 -1.26 -4.89 118.70 108.46 1tye s GLU 48 Ca 0.28 -0.47 -0.27 0.00 0.36 0.00 0.00 54.97 54.87 1tye s GLU 48 Cb -0.12 -0.75 -0.04 0.00 0.26 0.00 0.00 34.13 33.48 1tye s GLU 48 CO 0.34 0.20 2.08 -1.21 -0.54 0.00 0.00 175.26 176.13 1tye s GLU 49 N -0.53 2.89 -0.00 4.30 2.02 -1.26 -1.82 118.70 124.29 1tye s GLU 49 Ca 0.02 1.49 0.02 0.00 0.02 0.00 0.00 54.97 56.53 1tye s GLU 49 Cb -0.05 -4.37 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 1tye s GLU 49 CO 0.00 -2.39 0.07 0.25 0.02 0.00 0.00 175.26 173.21 1tye n THR 50 N 7.63 0.00 0.00 3.63 -2.24 -1.08 0.14 114.28 122.36 1tye n THR 50 Ca 0.28 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1tye n THR 50 Cb 0.49 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1tye n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tye n GLY 51 N 1.98 0.01 3.61 3.38 0.00 -0.50 -2.28 105.19 111.39 1tye n GLY 51 Ca -0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 1tye n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tye s GLY 52 N -0.72 -0.28 0.03 -0.02 0.00 0.66 -4.51 107.32 102.49 1tye s GLY 52 Ca 0.00 1.62 0.09 0.00 0.00 0.00 0.00 44.72 46.43 1tye s GLY 52 CO 0.00 0.53 -0.25 0.14 0.00 0.00 0.00 173.10 173.52 1tye s VAL 53 N -2.26 2.26 -0.03 1.40 1.01 -1.26 -0.58 120.40 120.94 1tye s VAL 53 Ca 0.11 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1tye s VAL 53 Cb -0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1tye s VAL 53 CO -0.04 0.39 -0.18 -0.36 0.00 0.00 0.00 175.10 174.91 1tye s PHE 54 N -0.80 1.73 -0.37 5.22 0.08 0.62 0.15 117.98 124.61 1tye s PHE 54 Ca 0.12 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 1tye s PHE 54 Cb -0.10 -1.15 0.07 0.00 -0.57 0.00 0.00 43.02 41.28 1tye s PHE 54 CO 0.02 -0.12 0.14 -1.17 -0.10 0.00 0.00 175.22 173.99 1tye s LEU 55 N -0.13 4.70 -0.32 -0.37 2.96 -1.01 -0.08 118.68 124.43 1tye s LEU 55 Ca -0.00 -1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 52.22 1tye s LEU 55 Cb -0.10 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1tye s LEU 55 CO 0.01 -0.43 0.32 0.00 -1.32 0.00 0.00 176.35 174.94 1tye s PRO 57 N 1.95 3.46 0.06 0.00 0.04 -1.26 -0.19 135.00 139.07 1tye s PRO 57 Ca 0.11 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1tye s PRO 57 Cb -0.16 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1tye s PRO 57 CO 0.11 -0.68 1.20 -0.46 0.04 0.00 0.00 177.00 177.21 1tye s TRP 58 N -2.75 3.44 -0.30 0.56 -0.00 -1.19 -4.87 118.94 113.83 1tye s TRP 58 Ca 0.60 1.31 -0.10 0.00 -0.00 0.00 0.00 56.10 57.91 1tye s TRP 58 Cb -0.13 -3.42 0.17 0.00 -0.00 0.00 0.00 33.47 30.09 1tye s TRP 58 CO 0.42 -1.27 0.81 -0.98 -0.00 0.00 0.00 176.95 175.94 1tye s ARG 59 N 1.02 0.42 0.63 5.86 1.70 -1.26 -5.04 118.95 122.28 1tye s ARG 59 Ca 0.58 0.90 0.19 0.00 -0.47 0.00 0.00 55.73 56.94 1tye s ARG 59 Cb -0.29 0.53 0.80 0.00 -0.57 0.00 0.00 34.95 35.41 1tye s ARG 59 CO 0.29 -0.29 1.36 0.00 -1.08 0.00 0.00 175.30 175.59 1tye h ALA 60 N 7.85 2.38 0.04 7.88 0.00 -2.00 0.17 119.26 135.58 1tye h ALA 60 Ca -0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1tye h ALA 60 Cb 1.14 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1tye h ALA 60 CO 0.10 -1.22 -0.36 1.05 0.00 0.00 0.00 179.25 178.82 1tye h GLU 61 N 0.00 0.17 0.00 0.00 9.09 -1.96 -3.42 114.58 118.46 1tye h GLU 61 Ca 0.25 -0.24 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1tye h GLU 61 Cb 2.14 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 29.32 1tye h GLU 61 CO -0.00 1.04 0.00 0.41 0.05 0.00 0.00 179.01 180.51 1tye n GLY 62 N 1.38 0.63 5.04 1.06 0.00 0.58 -4.24 105.19 109.63 1tye n GLY 62 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1tye n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tye n GLY 63 N 0.00 -1.31 3.59 -0.02 0.00 0.50 -4.94 105.19 103.00 1tye n GLY 63 Ca 0.00 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 1tye n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tye n GLN 64 N 0.00 0.09 -4.12 1.61 3.00 -1.26 -2.66 117.38 114.04 1tye n GLN 64 Ca 0.00 0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1tye n GLN 64 Cb 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 30.24 27.94 1tye n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tye s PRO 66 N -2.93 2.75 0.07 0.00 0.02 -1.25 -4.87 135.00 128.78 1tye s PRO 66 Ca 0.03 1.58 -0.15 0.00 0.02 0.00 0.00 61.00 62.48 1tye s PRO 66 Cb -0.01 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 1tye s PRO 66 CO -0.03 -1.33 0.49 0.45 -0.33 0.00 0.00 177.00 176.25 1tye s SER 67 N -2.17 6.85 -0.49 2.53 0.15 -1.26 -2.39 113.70 116.91 1tye s SER 67 Ca 0.71 1.04 -0.21 0.00 0.70 0.00 0.00 55.95 58.19 1tye s SER 67 Cb -0.25 -2.28 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1tye s SER 67 CO 0.39 0.22 0.72 -0.22 1.20 0.00 0.00 173.24 175.55 1tye s LEU 68 N -1.49 4.55 0.33 3.45 2.96 0.12 -4.85 118.68 123.76 1tye s LEU 68 Ca 0.31 -0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 53.40 1tye s LEU 68 Cb -0.16 -2.67 -0.11 0.00 0.50 0.00 0.00 46.19 43.74 1tye s LEU 68 CO 0.17 -0.94 1.51 -0.76 -1.32 0.00 0.00 176.35 175.01 1tye s LEU 69 N 3.07 4.34 0.08 -0.68 1.43 -1.26 -4.26 118.68 121.40 1tye s LEU 69 Ca 0.22 2.96 -0.11 0.00 -1.03 0.00 0.00 54.13 56.18 1tye s LEU 69 Cb -0.15 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.42 1tye s LEU 69 CO 0.17 -0.85 0.25 -0.36 0.23 0.00 0.00 176.35 175.78 1tye s PHE 70 N -0.63 0.03 -0.24 0.29 0.08 -1.26 -5.10 117.98 111.15 1tye s PHE 70 Ca 0.57 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.97 1tye s PHE 70 Cb -0.46 0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 1tye s PHE 70 CO 0.55 -0.55 1.80 0.34 -0.10 0.00 0.00 175.22 177.26 1tye s ASP 71 N -2.59 6.07 0.00 1.36 -1.08 -1.26 -4.86 116.67 114.31 1tye s ASP 71 Ca 0.01 1.62 0.22 0.00 -0.52 0.00 0.00 52.55 53.89 1tye s ASP 71 Cb 0.02 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.21 1tye s ASP 71 CO -0.09 -1.51 1.26 0.18 0.52 0.00 0.00 175.17 175.54 1tye n LEU 72 N 9.52 3.04 -4.73 -1.34 7.99 -1.26 -4.99 117.00 125.23 1tye n LEU 72 Ca 0.22 -1.16 -0.30 0.00 -0.01 0.00 0.00 56.01 54.76 1tye n LEU 72 Cb 0.45 -0.08 -0.07 0.00 -0.11 0.00 0.00 43.42 43.62 1tye n LEU 72 CO 0.67 0.56 -0.30 0.00 -1.51 0.00 0.00 177.39 176.81 1tye s ARG 73 N -1.74 2.71 0.58 3.23 1.70 -1.26 -4.90 118.95 119.28 1tye s ARG 73 Ca 0.30 -0.76 -0.20 0.00 -0.47 0.00 0.00 55.73 54.59 1tye s ARG 73 Cb 0.20 -2.63 -0.03 0.00 -0.57 0.00 0.00 34.95 31.91 1tye s ARG 73 CO 0.29 0.55 1.34 -0.51 -1.08 0.00 0.00 175.30 175.89 1tye s ASP 74 N -2.33 5.01 0.12 -2.89 1.01 -1.26 -4.94 116.67 111.40 1tye s ASP 74 Ca 0.27 2.73 0.09 0.00 0.71 0.00 0.00 52.55 56.34 1tye s ASP 74 Cb -0.12 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1tye s ASP 74 CO 0.20 -1.74 -0.16 -1.61 0.21 0.00 0.00 175.17 172.07 1tye s GLU 75 N -3.08 1.87 -0.14 8.23 2.02 -1.17 -5.00 118.70 121.43 1tye s GLU 75 Ca 0.76 -1.17 -0.07 0.00 0.02 0.00 0.00 54.97 54.51 1tye s GLU 75 Cb -0.40 -2.15 0.06 0.00 0.10 0.00 0.00 34.13 31.74 1tye s GLU 75 CO 0.45 0.48 0.33 0.99 0.02 0.00 0.00 175.26 177.53 1tye s THR 76 N -1.23 -0.09 -0.04 3.63 2.01 -1.26 -1.57 115.64 117.08 1tye s THR 76 Ca 0.19 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.25 1tye s THR 76 Cb -0.10 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1tye s THR 76 CO 0.11 0.05 0.18 -0.13 -0.69 0.00 0.00 174.62 174.15 1tye s ARG 77 N 1.49 0.36 -0.23 4.92 1.81 -0.00 -4.99 118.95 122.30 1tye s ARG 77 Ca -0.08 -0.02 -0.06 0.00 -1.72 0.00 0.00 55.73 53.85 1tye s ARG 77 Cb -0.10 0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1tye s ARG 77 CO -0.11 -0.07 0.03 -0.80 -0.68 0.00 0.00 175.30 173.67 1tye s ASN 78 N -0.56 4.85 -0.31 0.23 0.01 -1.26 0.20 114.94 118.09 1tye s ASN 78 Ca -0.07 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 1tye s ASN 78 Cb -0.04 -1.86 0.09 0.00 0.41 0.00 0.00 41.25 39.85 1tye s ASN 78 CO 0.01 -0.01 0.02 -0.69 -1.51 0.00 0.00 177.10 174.91 1tye s VAL 79 N 1.48 2.06 0.00 1.60 1.01 -0.42 -5.00 120.40 121.14 1tye s VAL 79 Ca 0.06 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1tye s VAL 79 Cb -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1tye s VAL 79 CO 0.01 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.27 1tye n GLY 80 N 4.38 2.05 0.89 4.51 0.00 -1.26 -2.36 105.19 113.39 1tye n GLY 80 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1tye n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tye n SER 81 N 10.41 2.85 -4.58 1.61 7.64 -1.26 -4.95 113.62 125.33 1tye n SER 81 Ca 0.00 -1.92 -0.32 0.00 1.01 0.00 0.00 58.87 57.65 1tye n SER 81 Cb 0.00 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 1tye n SER 81 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1tye s GLN 82 N -1.83 2.44 -0.31 1.43 -0.21 -1.00 -4.47 119.66 115.71 1tye s GLN 82 Ca 0.26 -0.80 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 1tye s GLN 82 Cb 0.18 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.76 1tye s GLN 82 CO 0.28 0.58 0.12 0.99 -2.12 0.00 0.00 175.29 175.13 1tye s THR 83 N -1.03 4.20 -0.15 -0.19 2.01 -0.57 -1.30 115.64 118.62 1tye s THR 83 Ca 0.18 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 1tye s THR 83 Cb -0.11 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1tye s THR 83 CO 0.09 0.02 0.38 -0.76 -0.69 0.00 0.00 174.62 173.66 1tye s LEU 84 N 1.53 4.24 -0.01 4.42 1.02 0.13 -1.06 118.68 128.95 1tye s LEU 84 Ca 0.03 0.63 0.00 0.00 0.02 0.00 0.00 54.13 54.80 1tye s LEU 84 Cb -0.18 -2.52 0.01 0.00 0.02 0.00 0.00 46.19 43.52 1tye s LEU 84 CO 0.04 0.03 0.00 0.00 0.02 0.00 0.00 176.35 176.45 1tye s GLN 85 N 0.66 0.01 -0.09 1.70 -2.07 -0.50 -0.82 119.66 118.56 1tye s GLN 85 Ca 0.20 0.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.80 1tye s GLN 85 Cb -0.14 -0.08 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 1tye s GLN 85 CO 0.07 -0.04 -0.13 0.95 -1.32 0.00 0.00 175.29 174.83 1tye s THR 86 N 0.26 3.16 -0.21 3.63 -4.23 -0.61 -1.73 115.64 115.91 1tye s THR 86 Ca -0.02 -0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 1tye s THR 86 Cb -0.03 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1tye s THR 86 CO -0.01 0.56 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.18 1tye s PHE 87 N -0.27 2.92 -2.43 3.99 0.40 -0.16 -3.04 117.98 119.39 1tye s PHE 87 Ca 0.02 -1.25 0.22 0.00 -0.60 0.00 0.00 56.93 55.33 1tye s PHE 87 Cb -0.13 -2.04 0.50 0.00 0.51 0.00 0.00 43.02 41.86 1tye s PHE 87 CO 0.03 -0.66 1.43 1.63 0.70 0.00 0.00 175.22 178.35 1tye n LYS 88 N 4.72 2.33 -2.10 0.44 5.02 -1.26 -1.28 118.16 126.02 1tye n LYS 88 Ca -0.19 -2.00 -0.43 0.00 -2.02 0.00 0.00 58.31 53.67 1tye n LYS 88 Cb 0.50 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1tye n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tye s ALA 89 N -1.56 3.38 -1.41 7.82 0.00 -1.26 -2.42 121.76 126.30 1tye s ALA 89 Ca 0.37 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1tye s ALA 89 Cb 0.21 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1tye s ALA 89 CO 0.30 -1.76 0.00 0.54 0.00 0.00 0.00 175.76 174.85 1tye n ARG 90 N 7.45 -1.26 0.18 0.00 1.74 0.37 -4.88 116.66 120.27 1tye n ARG 90 Ca 0.18 0.82 0.13 0.00 -0.77 0.00 0.00 57.85 58.21 1tye n ARG 90 Cb 0.45 -5.18 0.60 0.00 -1.02 0.00 0.00 32.46 27.31 1tye n ARG 90 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1tye h GLN 91 N 0.00 0.00 -4.59 5.56 3.07 -1.62 -3.44 115.11 114.09 1tye h GLN 91 Ca -0.37 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.12 1tye h GLN 91 Cb 1.25 0.00 0.12 0.00 0.08 0.00 0.00 27.48 28.93 1tye h GLN 91 CO 0.45 0.00 -0.54 0.41 0.09 0.00 0.00 178.83 179.25 1tye n GLY 92 N -0.39 -0.13 3.70 0.06 0.00 -1.25 -1.69 105.19 105.48 1tye n GLY 92 Ca 0.01 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1tye n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tye s LEU 93 N -5.25 4.38 0.00 0.99 2.96 -0.97 -1.96 118.68 118.83 1tye s LEU 93 Ca 0.12 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1tye s LEU 93 Cb -0.05 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1tye s LEU 93 CO 0.53 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 1tye n GLY 94 N 4.06 0.81 0.04 7.98 0.00 -0.73 -1.63 105.19 115.72 1tye n GLY 94 Ca 0.16 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1tye n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye n ALA 95 N -1.04 2.60 -3.39 4.61 0.00 -0.83 -3.77 120.51 118.69 1tye n ALA 95 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.26 1tye n ALA 95 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1tye n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tye s SER 96 N -2.47 -1.06 0.12 0.00 0.15 -1.26 -4.75 113.70 104.43 1tye s SER 96 Ca 0.31 1.09 0.08 0.00 0.70 0.00 0.00 55.95 58.13 1tye s SER 96 Cb 0.20 2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 66.54 1tye s SER 96 CO 0.45 -0.20 -0.21 0.68 1.20 0.00 0.00 173.24 175.17 1tye s VAL 97 N 2.81 1.78 -0.29 4.45 -7.23 -1.26 -1.44 120.40 119.22 1tye s VAL 97 Ca 0.04 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.41 1tye s VAL 97 Cb -0.12 -1.66 0.13 0.00 0.56 0.00 0.00 36.38 35.29 1tye s VAL 97 CO -0.19 -0.12 0.81 0.54 -0.31 0.00 0.00 175.10 175.84 1tye s VAL 98 N -1.38 -0.41 -0.10 1.32 0.11 -0.37 -4.61 120.40 114.96 1tye s VAL 98 Ca 0.09 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1tye s VAL 98 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1tye s VAL 98 CO 0.05 0.00 0.17 -0.55 -3.33 0.00 0.00 175.10 171.44 1tye s SER 99 N 2.13 6.43 -0.04 3.54 0.15 -1.26 -0.87 113.70 123.78 1tye s SER 99 Ca -0.07 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.10 1tye s SER 99 Cb -0.07 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1tye s SER 99 CO -0.18 0.39 -0.04 0.86 1.20 0.00 0.00 173.24 175.47 1tye s TRP 100 N -1.07 0.63 0.00 3.44 -0.00 0.30 -4.97 118.94 117.27 1tye s TRP 100 Ca 0.17 -0.15 0.00 0.00 -0.00 0.00 0.00 56.10 56.12 1tye s TRP 100 Cb -0.13 -0.57 0.00 0.00 -0.00 0.00 0.00 33.47 32.78 1tye s TRP 100 CO 0.06 -0.15 0.00 -1.13 -0.00 0.00 0.00 176.95 175.73 1tye n SER 101 N 3.91 0.00 0.26 5.86 3.41 -1.26 -1.08 113.62 124.71 1tye n SER 101 Ca -0.24 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.48 1tye n SER 101 Cb 0.52 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.17 1tye n SER 101 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1tye h ASP 102 N 0.00 0.00 -3.02 4.04 3.58 -1.90 -3.39 116.42 115.73 1tye h ASP 102 Ca 0.00 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.83 1tye h ASP 102 Cb 0.00 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 40.93 1tye h ASP 102 CO 0.00 0.11 -0.69 0.68 -2.88 0.00 0.00 179.24 176.46 1tye s VAL 103 N -4.41 3.55 0.04 2.25 -7.23 -0.24 -4.57 120.40 109.78 1tye s VAL 103 Ca -0.04 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1tye s VAL 103 Cb 0.14 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1tye s VAL 103 CO 0.61 -0.07 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.69 1tye s ILE 104 N -1.64 4.01 -0.17 -0.62 1.01 0.58 -0.54 121.20 123.83 1tye s ILE 104 Ca 0.26 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1tye s ILE 104 Cb -0.09 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.59 1tye s ILE 104 CO 0.17 0.26 0.01 -0.69 0.00 0.00 0.00 174.94 174.70 1tye s VAL 105 N -1.17 0.63 0.02 2.92 1.01 -0.05 -0.89 120.40 122.87 1tye s VAL 105 Ca 0.22 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1tye s VAL 105 Cb -0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1tye s VAL 105 CO 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 175.10 175.04 1tye s ALA 106 N 1.82 2.86 0.07 5.51 0.00 -0.49 -1.24 121.76 130.28 1tye s ALA 106 Ca -0.00 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.93 1tye s ALA 106 Cb -0.16 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1tye s ALA 106 CO -0.07 0.60 -0.17 0.00 0.00 0.00 0.00 175.76 176.12 1tye s ALA 108 N -1.07 3.42 0.51 0.00 0.00 0.16 -1.77 121.76 123.01 1tye s ALA 108 Ca 0.02 -3.22 0.17 0.00 0.00 0.00 0.00 51.96 48.93 1tye s ALA 108 Cb -0.09 -2.40 1.26 0.00 0.00 0.00 0.00 23.12 21.89 1tye s ALA 108 CO 0.02 -2.04 2.11 -1.35 0.00 0.00 0.00 175.76 174.51 1tye h PRO 109 N 6.83 0.04 -0.66 0.00 0.11 -1.67 0.49 132.00 137.14 1tye h PRO 109 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1tye h PRO 109 Cb 0.93 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1tye h PRO 109 CO 0.69 0.03 0.00 0.91 -0.21 0.00 0.00 178.00 179.42 1tye n TRP 110 N -4.51 1.24 -2.05 0.65 8.01 -0.68 -3.43 117.44 116.66 1tye n TRP 110 Ca -0.00 -0.57 -0.42 0.00 -1.31 0.00 0.00 57.50 55.20 1tye n TRP 110 Cb 0.18 -0.14 -0.03 0.00 -2.01 0.00 0.00 31.31 29.31 1tye n TRP 110 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1tye s GLN 111 N -1.51 4.25 0.54 -0.99 0.74 -1.14 -4.37 119.66 117.19 1tye s GLN 111 Ca 0.49 2.20 -0.03 0.00 0.05 0.00 0.00 55.36 58.07 1tye s GLN 111 Cb 0.29 -3.38 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1tye s GLN 111 CO 0.27 -0.58 0.81 -1.01 -0.55 0.00 0.00 175.29 174.23 1tye s HIS 112 N 1.75 3.20 0.08 1.67 3.76 -0.41 -1.96 115.29 123.39 1tye s HIS 112 Ca 0.68 0.44 -0.12 0.00 -0.15 0.00 0.00 55.06 55.91 1tye s HIS 112 Cb -0.38 -2.59 0.01 0.00 1.11 0.00 0.00 32.58 30.73 1tye s HIS 112 CO 0.30 -0.67 0.28 -0.46 -0.85 0.00 0.00 174.74 173.34 1tye s TRP 113 N -2.82 -0.03 0.02 1.40 -0.11 0.19 -0.99 118.94 116.61 1tye s TRP 113 Ca 0.52 -0.26 -0.28 0.00 1.22 0.00 0.00 56.10 57.31 1tye s TRP 113 Cb -0.10 0.07 0.10 0.00 -1.50 0.00 0.00 33.47 32.03 1tye s TRP 113 CO 0.42 -0.56 0.83 1.21 -4.62 0.00 0.00 176.95 174.23 1tye s ASN 114 N -2.51 -0.42 -0.01 5.86 3.04 -0.70 -1.23 114.94 118.97 1tye s ASN 114 Ca 0.00 0.05 0.00 0.00 0.04 0.00 0.00 52.86 52.96 1tye s ASN 114 Cb 0.02 0.43 0.01 0.00 -1.54 0.00 0.00 41.25 40.17 1tye s ASN 114 CO -0.08 -0.67 -0.00 -0.69 -3.04 0.00 0.00 177.10 172.61 1tye s VAL 115 N -3.05 0.09 -0.07 -5.21 1.01 -1.26 -1.41 120.40 110.50 1tye s VAL 115 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1tye s VAL 115 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1tye s VAL 115 CO -0.08 0.07 -0.18 -0.76 0.00 0.00 0.00 175.10 174.14 1tye s LEU 116 N 0.42 2.49 -0.30 3.92 1.43 -0.23 -2.39 118.68 124.01 1tye s LEU 116 Ca -0.04 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1tye s LEU 116 Cb -0.06 -1.50 0.13 0.00 0.03 0.00 0.00 46.19 44.79 1tye s LEU 116 CO -0.01 0.27 0.26 -0.70 0.23 0.00 0.00 176.35 176.40 1tye s GLU 117 N -0.28 0.35 7.70 1.70 2.12 -0.25 -1.51 118.70 128.54 1tye s GLU 117 Ca 0.01 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1tye s GLU 117 Cb -0.13 -0.83 0.00 0.00 0.26 0.00 0.00 34.13 33.43 1tye s GLU 117 CO 0.03 -1.06 0.00 1.63 -0.54 0.00 0.00 175.26 175.32 1tye n LYS 118 N 5.07 0.00 -0.59 4.30 5.02 -1.26 -2.10 118.16 128.60 1tye n LYS 118 Ca -0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1tye n LYS 118 Cb 0.44 0.00 0.34 0.00 -0.02 0.00 0.00 35.03 35.80 1tye n LYS 118 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1tye n THR 119 N 0.00 1.85 -4.37 -0.18 -1.04 -1.26 -4.89 114.28 104.38 1tye n THR 119 Ca 0.00 -1.24 -0.26 0.00 -2.04 0.00 0.00 64.05 60.50 1tye n THR 119 Cb 0.00 0.11 -0.12 0.00 -1.82 0.00 0.00 70.33 68.50 1tye n THR 119 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1tye s GLU 120 N -1.89 1.37 0.00 -2.82 2.02 -0.89 -5.14 118.70 111.35 1tye s GLU 120 Ca 0.49 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1tye s GLU 120 Cb 0.32 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1tye s GLU 120 CO 0.23 0.39 0.00 -0.85 0.02 0.00 0.00 175.26 175.05 1tye n GLU 121 N 0.65 0.65 0.00 1.61 0.28 -1.26 -1.09 120.64 121.49 1tye n GLU 121 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1tye n GLU 121 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1tye n GLU 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tye n ALA 122 N -3.00 2.97 -3.60 -1.84 0.00 -1.00 0.24 120.51 114.27 1tye n ALA 122 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1tye n ALA 122 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1tye n ALA 122 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tye s GLU 123 N -0.97 1.26 -0.22 0.00 2.02 -1.26 -3.92 118.70 115.61 1tye s GLU 123 Ca 0.00 -0.58 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 1tye s GLU 123 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1tye s GLU 123 CO 0.00 -0.56 0.95 0.21 0.02 0.00 0.00 175.26 175.87 1tye s LYS 124 N -3.54 4.25 0.07 1.61 2.20 -1.25 -4.13 119.74 118.94 1tye s LYS 124 Ca 0.06 1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 56.82 1tye s LYS 124 Cb -0.02 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1tye s LYS 124 CO -0.05 -0.54 0.08 0.95 -0.36 0.00 0.00 175.35 175.44 1tye s THR 125 N 2.88 0.18 -1.27 3.43 -4.23 -0.37 -4.89 115.64 111.37 1tye s THR 125 Ca 0.41 -1.44 -0.19 0.00 -1.18 0.00 0.00 61.69 59.29 1tye s THR 125 Cb -0.16 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1tye s THR 125 CO 0.08 -0.80 1.82 -2.65 -0.54 0.00 0.00 174.62 172.54 1tye n PRO 126 N 0.12 2.71 0.20 3.99 -0.02 -1.23 -0.64 135.00 140.12 1tye n PRO 126 Ca -0.15 -2.99 0.08 0.00 -2.02 0.00 0.00 63.50 58.42 1tye n PRO 126 Cb 0.61 -3.54 0.28 0.00 -0.02 0.00 0.00 33.50 30.83 1tye n PRO 126 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1tye h VAL 127 N 5.63 0.53 -0.75 -1.45 -1.51 -1.50 -2.38 116.25 114.82 1tye h VAL 127 Ca 0.39 -1.43 0.08 0.00 -1.23 0.00 0.00 66.70 64.52 1tye h VAL 127 Cb 0.87 2.01 -0.03 0.00 -2.13 0.00 0.00 31.29 32.01 1tye h VAL 127 CO 1.43 0.26 -0.19 0.61 -1.23 0.00 0.00 177.57 178.45 1tye n GLY 128 N 0.65 -1.95 3.58 5.19 0.00 -0.83 -1.75 105.19 110.08 1tye n GLY 128 Ca 0.01 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 1tye n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tye s SER 129 N -5.00 -0.38 -0.05 1.61 0.15 0.15 -4.67 113.70 105.52 1tye s SER 129 Ca 0.00 0.45 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1tye s SER 129 Cb 0.00 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1tye s SER 129 CO 0.00 -0.32 -0.18 0.00 1.20 0.00 0.00 173.24 173.94 1tye s PHE 131 N -0.61 3.01 -0.10 0.00 0.40 0.27 -1.20 117.98 119.76 1tye s PHE 131 Ca 0.09 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.68 1tye s PHE 131 Cb -0.11 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 1tye s PHE 131 CO 0.01 -0.40 0.22 -0.51 0.70 0.00 0.00 175.22 175.24 1tye s LEU 132 N 1.35 4.38 0.00 -0.37 2.01 0.01 -1.39 118.68 124.68 1tye s LEU 132 Ca 0.04 0.58 -0.00 0.00 0.01 0.00 0.00 54.13 54.76 1tye s LEU 132 Cb -0.15 -2.23 -0.00 0.00 0.01 0.00 0.00 46.19 43.82 1tye s LEU 132 CO 0.00 0.34 0.00 0.00 1.01 0.00 0.00 176.35 177.71 1tye s ALA 133 N -0.80 -0.00 -0.62 4.21 0.00 -0.07 -1.39 121.76 123.09 1tye s ALA 133 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1tye s ALA 133 Cb -0.13 0.02 0.16 0.00 0.00 0.00 0.00 23.12 23.16 1tye s ALA 133 CO 0.06 -0.03 0.40 -1.14 0.00 0.00 0.00 175.76 175.05 1tye s GLN 134 N -0.27 2.20 0.56 0.00 0.74 -0.98 -0.31 119.66 121.60 1tye s GLN 134 Ca -0.03 -3.02 0.47 0.00 0.05 0.00 0.00 55.36 52.84 1tye s GLN 134 Cb -0.02 -3.27 1.66 0.00 1.10 0.00 0.00 33.01 32.49 1tye s GLN 134 CO -0.00 -1.23 1.58 -1.35 -0.55 0.00 0.00 175.29 173.74 1tye h PRO 135 N 5.81 0.00 0.37 1.67 0.11 -1.83 -0.49 132.00 137.64 1tye h PRO 135 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1tye h PRO 135 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1tye h PRO 135 CO 0.69 0.00 -0.18 1.49 -0.21 0.00 0.00 178.00 179.79 1tye h GLU 136 N 0.00 -0.48 0.00 1.05 4.57 -1.94 -3.27 114.58 114.51 1tye h GLU 136 Ca 0.87 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 59.08 1tye h GLU 136 Cb 3.55 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 32.25 1tye h GLU 136 CO -0.01 -0.32 0.00 -1.13 -1.18 0.00 0.00 179.01 176.37 1tye n SER 137 N -4.39 0.00 0.00 1.04 3.41 -0.85 -4.88 113.62 107.95 1tye n SER 137 Ca -0.06 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1tye n SER 137 Cb 0.20 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1tye n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tye n GLY 138 N 0.87 0.41 3.71 5.00 0.00 -0.25 -4.97 105.19 109.95 1tye n GLY 138 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1tye n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tye s ARG 139 N -0.67 1.65 0.08 1.61 0.52 -1.21 -4.85 118.95 116.08 1tye s ARG 139 Ca 0.00 1.59 -0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1tye s ARG 139 Cb 0.00 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1tye s ARG 139 CO 0.00 -2.17 -0.01 1.03 0.02 0.00 0.00 175.30 174.17 1tye s ARG 140 N -4.37 0.73 0.19 3.54 1.81 -1.26 -2.31 118.95 117.27 1tye s ARG 140 Ca 0.69 -1.29 -0.23 0.00 -1.72 0.00 0.00 55.73 53.18 1tye s ARG 140 Cb -0.25 0.15 0.05 0.00 -0.45 0.00 0.00 34.95 34.46 1tye s ARG 140 CO 0.52 -0.13 0.74 0.00 -0.68 0.00 0.00 175.30 175.75 1tye s ALA 141 N -3.90 -1.48 0.06 2.13 0.00 -0.48 -4.98 121.76 113.11 1tye s ALA 141 Ca 0.12 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1tye s ALA 141 Cb 0.07 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1tye s ALA 141 CO -0.06 -0.92 -0.05 -2.00 0.00 0.00 0.00 175.76 172.73 1tye s GLU 142 N -3.68 0.63 -0.18 0.00 2.12 -1.26 -0.81 118.70 115.53 1tye s GLU 142 Ca 0.07 -1.10 -0.05 0.00 0.36 0.00 0.00 54.97 54.26 1tye s GLU 142 Cb -0.03 -0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.42 1tye s GLU 142 CO -0.02 -0.04 0.33 -0.47 -0.54 0.00 0.00 175.26 174.51 1tye s TYR 143 N -3.06 -0.59 -0.42 5.30 5.04 -0.34 -4.90 117.35 118.38 1tye s TYR 143 Ca 0.03 1.04 0.05 0.00 -2.44 0.00 0.00 57.07 55.75 1tye s TYR 143 Cb 0.02 0.04 0.20 0.00 0.35 0.00 0.00 41.96 42.56 1tye s TYR 143 CO -0.05 -0.48 0.45 0.45 -1.34 0.00 0.00 175.55 174.57 1tye n SER 144 N 5.36 -0.73 0.07 4.32 2.88 -1.26 -1.27 113.62 122.99 1tye n SER 144 Ca -0.06 -2.55 0.05 0.00 -1.33 0.00 0.00 58.87 54.98 1tye n SER 144 Cb 0.50 -0.24 0.26 0.00 -0.75 0.00 0.00 64.21 63.98 1tye n SER 144 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1tye n PRO 145 N 2.43 0.06 0.00 -1.46 -0.04 -1.26 -3.00 135.00 131.73 1tye n PRO 145 Ca 0.26 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 64.38 1tye n PRO 145 Cb 0.51 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1tye n PRO 145 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tye s ARG 147 N -2.62 4.30 0.32 0.00 0.52 -1.16 -4.61 118.95 115.69 1tye s ARG 147 Ca 0.16 2.25 0.03 0.00 -0.52 0.00 0.00 55.73 57.65 1tye s ARG 147 Cb 0.18 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1tye s ARG 147 CO 0.65 -0.37 0.14 0.20 0.02 0.00 0.00 175.30 175.95 1tye s GLY 148 N 0.26 2.12 -0.13 -3.53 0.00 -1.26 -4.97 107.32 99.82 1tye s GLY 148 Ca 0.58 -1.71 0.20 0.00 0.00 0.00 0.00 44.72 43.78 1tye s GLY 148 CO 0.44 -1.65 1.17 1.16 0.00 0.00 0.00 173.10 174.22 1tye n ASN 149 N -0.92 1.64 -4.74 1.64 6.94 -1.26 -4.83 115.26 113.74 1tye n ASN 149 Ca -0.01 -2.66 -0.36 0.00 -0.02 0.00 0.00 54.58 51.53 1tye n ASN 149 Cb 0.65 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 37.61 1tye n ASN 149 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1tye s THR 150 N -1.91 5.30 0.45 5.53 2.01 -1.26 -5.07 115.64 120.69 1tye s THR 150 Ca 0.35 0.56 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 1tye s THR 150 Cb 0.37 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 1tye s THR 150 CO -0.10 0.40 1.09 -0.76 -0.69 0.00 0.00 174.62 174.56 1tye s LEU 151 N 0.36 4.01 0.24 4.42 1.43 -1.26 -4.57 118.68 123.31 1tye s LEU 151 Ca 0.17 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 1tye s LEU 151 Cb -0.13 -4.31 0.33 0.00 0.03 0.00 0.00 46.19 42.11 1tye s LEU 151 CO 0.04 -0.76 1.47 -0.24 0.23 0.00 0.00 176.35 177.10 1tye n SER 152 N -0.48 -0.48 -0.26 2.29 2.88 0.14 -1.07 113.62 116.63 1tye n SER 152 Ca 0.07 1.64 0.17 0.00 -1.33 0.00 0.00 58.87 59.42 1tye n SER 152 Cb 0.50 -0.43 0.46 0.00 -0.75 0.00 0.00 64.21 63.98 1tye n SER 152 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1tye h ARG 153 N 0.00 0.50 -0.59 -1.46 2.43 -1.93 -2.14 114.38 111.20 1tye h ARG 153 Ca 0.39 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 1tye h ARG 153 Cb 0.63 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1tye h ARG 153 CO -0.96 0.33 0.15 0.82 -1.51 0.00 0.00 179.97 178.80 1tye h ILE 154 N 0.51 1.25 -0.75 1.20 1.08 -1.47 -2.54 117.51 116.79 1tye h ILE 154 Ca 0.48 -0.89 -0.03 0.00 -0.39 0.00 0.00 64.86 64.03 1tye h ILE 154 Cb 1.04 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1tye h ILE 154 CO -0.21 0.33 0.35 1.88 -0.69 0.00 0.00 178.15 179.81 1tye h TYR 155 N 0.85 1.08 -0.33 1.37 0.05 -1.45 -0.34 116.97 118.19 1tye h TYR 155 Ca 0.18 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 1tye h TYR 155 Cb 0.34 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1tye h TYR 155 CO 0.02 0.79 0.01 0.28 -1.05 0.00 0.00 178.16 178.21 1tye h VAL 156 N 1.07 1.19 0.07 -2.88 2.07 -1.33 0.66 116.25 117.10 1tye h VAL 156 Ca 0.26 -0.74 -0.25 0.00 0.82 0.00 0.00 66.70 66.78 1tye h VAL 156 Cb 0.12 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1tye h VAL 156 CO -0.03 0.26 -1.17 -0.33 0.02 0.00 0.00 177.57 176.31 1tye h GLU 157 N 0.49 0.16 0.00 1.57 5.08 -1.04 -3.14 114.58 117.70 1tye h GLU 157 Ca 0.11 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1tye h GLU 157 Cb 0.31 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1tye h GLU 157 CO 0.01 1.11 0.00 0.09 -1.00 0.00 0.00 179.01 179.22 1tye n ASN 158 N -3.45 0.00 -2.20 1.42 5.03 -0.18 -4.89 115.26 111.00 1tye n ASN 158 Ca -0.06 -0.04 -0.15 0.00 0.87 0.00 0.00 54.58 55.20 1tye n ASN 158 Cb 0.99 -0.32 0.03 0.00 -1.02 0.00 0.00 39.78 39.47 1tye n ASN 158 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1tye n ASP 159 N -1.32 -4.68 -2.53 6.41 -0.08 -0.06 -3.67 116.55 110.62 1tye n ASP 159 Ca 0.13 -0.23 -0.11 0.00 -1.51 0.00 0.00 54.79 53.06 1tye n ASP 159 Cb 0.25 -3.47 0.06 0.00 2.34 0.00 0.00 41.12 40.29 1tye n ASP 159 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1tye n PHE 160 N -4.11 -1.45 -3.05 -0.67 3.72 0.21 -5.01 117.46 107.11 1tye n PHE 160 Ca -0.05 0.60 -0.40 0.00 -0.05 0.00 0.00 57.45 57.55 1tye n PHE 160 Cb 0.57 -3.91 -0.05 0.00 -0.94 0.00 0.00 39.48 35.15 1tye n PHE 160 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1tye s SER 161 N -3.78 7.06 -1.41 4.37 0.01 -1.24 -4.15 113.70 114.55 1tye s SER 161 Ca 0.05 1.26 -0.05 0.00 1.31 0.00 0.00 55.95 58.52 1tye s SER 161 Cb -0.02 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1tye s SER 161 CO 0.46 -0.04 0.75 0.79 0.41 0.00 0.00 173.24 175.62 1tye n TRP 162 N 3.32 -2.00 -2.85 2.43 7.02 -1.26 -4.90 117.44 119.21 1tye n TRP 162 Ca -0.02 0.85 -0.43 0.00 -1.02 0.00 0.00 57.50 56.87 1tye n TRP 162 Cb 0.51 -4.12 -0.03 0.00 -2.42 0.00 0.00 31.31 25.25 1tye n TRP 162 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1tye s ASP 163 N -3.99 6.36 -0.21 -0.99 -1.08 -1.26 -4.86 116.67 110.64 1tye s ASP 163 Ca 0.24 -1.39 0.12 0.00 -0.52 0.00 0.00 52.55 51.00 1tye s ASP 163 Cb -0.12 -2.43 0.71 0.00 -1.46 0.00 0.00 42.92 39.61 1tye s ASP 163 CO 0.83 -1.33 1.59 0.29 0.52 0.00 0.00 175.17 177.08 1tye n LYS 164 N 7.45 4.29 0.25 4.34 5.02 -1.26 -1.59 118.16 136.66 1tye n LYS 164 Ca 0.09 -2.72 0.12 0.00 -2.02 0.00 0.00 58.31 53.78 1tye n LYS 164 Cb 0.47 -2.16 0.67 0.00 -0.02 0.00 0.00 35.03 33.99 1tye n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tye h ARG 165 N 3.35 0.00 -0.10 1.97 3.08 -1.89 -2.99 114.38 117.80 1tye h ARG 165 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1tye h ARG 165 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.87 1tye h ARG 165 CO 0.45 0.14 0.00 0.66 -1.07 0.00 0.00 179.97 180.15 1tye n TYR 166 N -3.67 0.34 -0.26 3.04 4.01 -1.26 -3.40 117.16 115.97 1tye n TYR 166 Ca -0.02 -0.92 -0.06 0.00 -0.16 0.00 0.00 57.90 56.74 1tye n TYR 166 Cb 0.26 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 1tye n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tye n GLU 168 N -4.78 -3.71 -1.57 0.00 1.02 -0.90 -0.74 120.64 109.97 1tye n GLU 168 Ca 0.02 0.39 -0.46 0.00 -0.02 0.00 0.00 57.16 57.09 1tye n GLU 168 Cb 0.17 -4.09 -0.02 0.00 -0.02 0.00 0.00 31.44 27.48 1tye n GLU 168 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tye n ALA 169 N -3.59 -0.59 -0.90 0.62 0.00 -0.72 -1.53 120.51 113.79 1tye n ALA 169 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1tye n ALA 169 Cb 0.53 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1tye n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tye n GLY 170 N 1.44 0.53 0.37 0.00 0.00 -1.18 -3.43 105.19 102.92 1tye n GLY 170 Ca 0.11 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1tye n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tye h PHE 171 N 0.00 1.07 -4.03 1.61 3.04 -0.74 -3.42 116.94 114.47 1tye h PHE 171 Ca 0.00 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.84 1tye h PHE 171 Cb 0.00 -0.35 -0.18 0.00 2.56 0.00 0.00 35.95 37.98 1tye h PHE 171 CO 0.00 0.51 -0.65 -1.54 -2.02 0.00 0.00 178.31 174.61 1tye s SER 172 N -5.89 0.31 0.16 0.41 1.04 -1.22 -4.71 113.70 103.80 1tye s SER 172 Ca -0.12 -0.69 -0.21 0.00 0.48 0.00 0.00 55.95 55.42 1tye s SER 172 Cb 0.21 0.17 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1tye s SER 172 CO 0.80 -0.46 0.55 -0.94 0.98 0.00 0.00 173.24 174.17 1tye s SER 173 N -2.16 -0.46 0.03 7.02 1.04 -1.26 -0.96 113.70 116.95 1tye s SER 173 Ca -0.05 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.00 1tye s SER 173 Cb -0.01 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1tye s SER 173 CO -0.05 -0.96 0.59 0.68 0.98 0.00 0.00 173.24 174.48 1tye s VAL 174 N -3.78 0.01 -0.12 5.02 -7.23 -0.70 -4.89 120.40 108.72 1tye s VAL 174 Ca 0.02 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.09 1tye s VAL 174 Cb -0.00 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1tye s VAL 174 CO -0.12 -0.06 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.76 1tye s VAL 175 N -2.19 1.56 1.04 1.32 1.01 -1.26 -0.16 120.40 121.73 1tye s VAL 175 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1tye s VAL 175 Cb -0.01 -1.43 0.21 0.00 0.00 0.00 0.00 36.38 35.16 1tye s VAL 175 CO 0.01 0.45 1.07 0.42 0.00 0.00 0.00 175.10 177.05 1tye s THR 176 N 1.01 2.17 0.36 3.92 -4.23 -0.10 -4.89 115.64 113.89 1tye s THR 176 Ca -0.06 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1tye s THR 176 Cb -0.15 -2.32 0.18 0.00 1.34 0.00 0.00 72.50 71.56 1tye s THR 176 CO -0.02 -0.07 1.92 -0.61 -0.54 0.00 0.00 174.62 175.30 1tye h GLN 177 N -2.14 0.51 0.00 3.99 4.15 -2.00 -2.18 115.11 117.44 1tye h GLN 177 Ca -0.55 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 58.78 1tye h GLN 177 Cb 1.32 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1tye h GLN 177 CO 0.53 0.49 0.00 0.00 -1.93 0.00 0.00 178.83 177.91 1tye n ALA 178 N -2.48 2.16 -0.50 3.38 0.00 -1.26 -4.88 120.51 116.93 1tye n ALA 178 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1tye n ALA 178 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1tye n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tye n GLY 179 N 0.34 0.99 3.68 0.00 0.00 -0.82 -5.00 105.19 104.39 1tye n GLY 179 Ca 0.12 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1tye n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tye s GLU 180 N -1.23 4.15 -0.08 1.61 0.41 -1.26 -1.13 118.70 121.18 1tye s GLU 180 Ca 0.00 -0.00 -0.22 0.00 -0.41 0.00 0.00 54.97 54.34 1tye s GLU 180 Cb 0.00 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 1tye s GLU 180 CO 0.00 0.06 0.63 -1.17 -0.49 0.00 0.00 175.26 174.30 1tye s LEU 181 N 1.03 4.31 -0.22 1.80 2.96 0.80 -0.92 118.68 128.44 1tye s LEU 181 Ca 0.14 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 1tye s LEU 181 Cb -0.14 -2.97 0.04 0.00 0.50 0.00 0.00 46.19 43.62 1tye s LEU 181 CO 0.05 -0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.17 1tye s VAL 182 N 0.71 2.16 -0.12 1.68 1.01 0.78 -2.03 120.40 124.59 1tye s VAL 182 Ca 0.34 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1tye s VAL 182 Cb -0.17 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1tye s VAL 182 CO 0.16 0.27 0.12 -0.76 0.00 0.00 0.00 175.10 174.89 1tye s LEU 183 N 1.21 4.26 -0.26 3.92 1.02 0.11 -1.73 118.68 127.21 1tye s LEU 183 Ca -0.01 0.40 -0.08 0.00 0.02 0.00 0.00 54.13 54.45 1tye s LEU 183 Cb -0.16 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 1tye s LEU 183 CO -0.09 0.38 0.11 -0.83 0.02 0.00 0.00 176.35 175.94 1tye s GLY 184 N -0.85 1.82 -0.67 -3.19 0.00 -0.14 -1.47 107.32 102.82 1tye s GLY 184 Ca 0.14 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1tye s GLY 184 CO 0.03 0.56 0.47 0.00 0.00 0.00 0.00 173.10 174.15 1tye s ALA 185 N 1.62 3.70 0.37 3.20 0.00 0.12 -2.13 121.76 128.65 1tye s ALA 185 Ca 0.06 -3.57 0.37 0.00 0.00 0.00 0.00 51.96 48.82 1tye s ALA 185 Cb -0.15 -2.38 2.00 0.00 0.00 0.00 0.00 23.12 22.59 1tye s ALA 185 CO 0.06 -2.09 2.12 -1.00 0.00 0.00 0.00 175.76 174.85 1tye h PRO 186 N 6.14 0.00 -0.00 0.00 0.13 -1.68 0.16 132.00 136.74 1tye h PRO 186 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1tye h PRO 186 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1tye h PRO 186 CO 0.73 0.00 -0.64 0.41 -0.23 0.00 0.00 178.00 178.28 1tye n GLY 187 N -1.16 -0.96 3.52 1.56 0.00 0.08 -3.35 105.19 104.89 1tye n GLY 187 Ca -0.02 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1tye n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tye n GLY 188 N 1.47 -1.06 3.75 -0.02 0.00 -0.65 -0.14 105.19 108.54 1tye n GLY 188 Ca 0.06 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1tye n GLY 188 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tye n TYR 189 N -1.51 -1.86 -3.52 1.61 4.01 -0.62 -0.75 117.16 114.52 1tye n TYR 189 Ca 0.12 0.75 -0.19 0.00 -0.16 0.00 0.00 57.90 58.42 1tye n TYR 189 Cb 0.46 -4.05 0.07 0.00 -0.31 0.00 0.00 39.34 35.51 1tye n TYR 189 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1tye n TYR 190 N -4.25 -2.21 -1.02 -0.72 4.19 -0.93 -3.11 117.16 109.12 1tye n TYR 190 Ca -0.26 0.93 -0.01 0.00 3.31 0.00 0.00 57.90 61.87 1tye n TYR 190 Cb 0.66 -4.91 -0.00 0.00 0.49 0.00 0.00 39.34 35.59 1tye n TYR 190 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 1tye n PHE 191 N -4.27 0.00 -0.03 2.98 3.72 0.81 -4.71 117.46 115.96 1tye n PHE 191 Ca -0.25 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.00 1tye n PHE 191 Cb 0.66 -0.35 -0.12 0.00 -0.94 0.00 0.00 39.48 38.73 1tye n PHE 191 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1tye h LEU 192 N 0.00 0.18 0.00 4.37 4.07 -0.88 -3.02 115.31 120.03 1tye h LEU 192 Ca -0.01 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.15 1tye h LEU 192 Cb 0.08 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1tye h LEU 192 CO 0.02 0.96 0.00 0.61 -1.08 0.00 0.00 178.44 178.94 1tye n GLY 193 N 1.12 3.19 3.51 0.83 0.00 0.07 -1.10 105.19 112.80 1tye n GLY 193 Ca -0.10 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1tye n GLY 193 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1tye s LEU 194 N 0.00 0.47 -0.01 0.99 0.05 0.48 -4.71 118.68 115.94 1tye s LEU 194 Ca 0.00 -0.89 0.02 0.00 0.05 0.00 0.00 54.13 53.31 1tye s LEU 194 Cb 0.00 1.61 -0.00 0.00 -2.05 0.00 0.00 46.19 45.75 1tye s LEU 194 CO 0.00 -1.06 -0.08 -0.22 -0.55 0.00 0.00 176.35 174.44 1tye s LEU 195 N -3.00 1.95 0.03 1.48 2.96 -1.26 0.15 118.68 120.99 1tye s LEU 195 Ca 0.21 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1tye s LEU 195 Cb 0.01 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.26 1tye s LEU 195 CO 0.06 0.08 -0.13 0.00 -1.32 0.00 0.00 176.35 175.04 1tye s ALA 196 N -0.08 1.12 0.03 5.97 0.00 -0.54 -1.02 121.76 127.23 1tye s ALA 196 Ca 0.02 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 1tye s ALA 196 Cb -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1tye s ALA 196 CO -0.00 0.22 0.31 1.14 0.00 0.00 0.00 175.76 177.42 1tye s GLN 197 N -0.96 0.77 0.07 0.00 1.03 -0.76 0.06 119.66 119.87 1tye s GLN 197 Ca 0.02 -0.42 -0.26 0.00 0.04 0.00 0.00 55.36 54.74 1tye s GLN 197 Cb -0.07 0.34 0.08 0.00 0.03 0.00 0.00 33.01 33.39 1tye s GLN 197 CO 0.01 -0.24 0.71 0.00 -2.54 0.00 0.00 175.29 173.23 1tye s ALA 198 N -2.23 -1.70 -0.03 2.60 0.00 -0.86 -1.48 121.76 118.06 1tye s ALA 198 Ca -0.07 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1tye s ALA 198 Cb -0.02 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1tye s ALA 198 CO -0.01 -0.68 1.19 -2.14 0.00 0.00 0.00 175.76 174.12 1tye s PRO 199 N -3.13 4.38 0.33 0.00 0.02 -1.26 -0.14 135.00 135.19 1tye s PRO 199 Ca 0.00 1.68 0.11 0.00 0.02 0.00 0.00 61.00 62.81 1tye s PRO 199 Cb -0.01 -3.51 0.97 0.00 0.02 0.00 0.00 34.50 31.98 1tye s PRO 199 CO -0.08 -0.39 1.69 0.28 -0.33 0.00 0.00 177.00 178.17 1tye h VAL 200 N 4.90 0.40 -0.63 3.83 2.07 -1.48 0.23 116.25 125.57 1tye h VAL 200 Ca -0.36 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1tye h VAL 200 Cb 1.17 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1tye h VAL 200 CO 0.86 0.08 0.37 0.00 0.02 0.00 0.00 177.57 178.90 1tye h ALA 201 N 1.80 0.80 -0.02 1.67 0.00 -1.92 -1.97 119.26 119.62 1tye h ALA 201 Ca 0.68 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.41 1tye h ALA 201 Cb 1.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1tye h ALA 201 CO -0.56 0.29 -0.46 -0.44 0.00 0.00 0.00 179.25 178.09 1tye h ASP 202 N 0.85 0.06 -0.13 0.00 3.32 -0.99 -1.33 116.42 118.21 1tye h ASP 202 Ca 0.23 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1tye h ASP 202 Cb -0.01 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1tye h ASP 202 CO -0.04 0.51 0.02 0.40 -1.72 0.00 0.00 179.24 178.40 1tye h ILE 203 N 0.05 1.23 -0.22 0.35 2.04 -0.75 -1.02 117.51 119.18 1tye h ILE 203 Ca 0.00 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1tye h ILE 203 Cb 0.83 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1tye h ILE 203 CO 0.06 0.21 0.10 -0.26 0.00 0.00 0.00 178.15 178.26 1tye h PHE 204 N -0.02 0.33 -0.21 1.37 0.04 -1.21 -2.30 116.94 114.93 1tye h PHE 204 Ca 0.04 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1tye h PHE 204 Cb 0.31 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1tye h PHE 204 CO 0.02 0.34 -0.38 0.66 -0.60 0.00 0.00 178.31 178.36 1tye h SER 205 N 0.21 0.48 1.33 2.17 4.64 -1.22 -3.13 113.55 118.03 1tye h SER 205 Ca 0.07 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1tye h SER 205 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1tye h SER 205 CO -0.01 0.82 -0.43 0.77 -0.87 0.00 0.00 176.83 177.11 1tye h SER 206 N 0.39 0.00 -3.93 4.97 4.64 -1.17 -3.46 113.55 114.99 1tye h SER 206 Ca 0.04 -0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 1tye h SER 206 Cb 0.84 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.01 1tye h SER 206 CO 0.07 0.03 0.63 -0.47 -0.87 0.00 0.00 176.83 176.22 1tye s TYR 207 N -3.22 2.87 -0.05 4.77 5.04 -0.87 -5.03 117.35 120.86 1tye s TYR 207 Ca 0.06 1.39 -0.01 0.00 -2.44 0.00 0.00 57.07 56.07 1tye s TYR 207 Cb 0.10 -3.70 0.03 0.00 0.35 0.00 0.00 41.96 38.73 1tye s TYR 207 CO 0.70 -2.10 0.00 1.03 -1.34 0.00 0.00 175.55 173.84 1tye s ARG 208 N -2.09 0.48 0.01 4.97 1.81 -1.26 -5.02 118.95 117.85 1tye s ARG 208 Ca 0.54 0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 54.34 1tye s ARG 208 Cb -0.39 -0.76 -0.06 0.00 -0.45 0.00 0.00 34.95 33.29 1tye s ARG 208 CO 0.51 -0.22 1.42 -2.14 -0.68 0.00 0.00 175.30 174.19 1tye s PRO 209 N 1.55 4.28 0.00 3.54 0.02 -1.26 -2.68 135.00 140.45 1tye s PRO 209 Ca -0.02 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.00 1tye s PRO 209 Cb -0.13 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1tye s PRO 209 CO -0.03 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1tye n GLY 210 N 3.66 1.41 3.69 0.52 0.00 -1.26 -5.07 105.19 108.14 1tye n GLY 210 Ca 0.13 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1tye n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tye s ILE 211 N -1.27 4.95 -0.14 -0.61 -1.09 -1.09 -4.96 121.20 116.99 1tye s ILE 211 Ca 0.00 1.59 0.21 0.00 -2.23 0.00 0.00 60.65 60.22 1tye s ILE 211 Cb 0.00 -4.11 -0.32 0.00 -1.58 0.00 0.00 42.46 36.45 1tye s ILE 211 CO 0.00 0.13 0.52 0.18 -1.23 0.00 0.00 174.94 174.53 1tye n LEU 212 N 4.56 0.12 -3.79 2.97 4.32 -1.26 -4.84 117.00 119.07 1tye n LEU 212 Ca 0.02 -0.06 -0.28 0.00 -0.02 0.00 0.00 56.01 55.67 1tye n LEU 212 Cb 0.50 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.14 1tye n LEU 212 CO 0.48 0.03 -0.38 -0.22 -1.22 0.00 0.00 177.39 176.08 1tye s LEU 213 N -4.30 1.62 0.09 2.23 2.96 -1.26 -5.01 118.68 115.01 1tye s LEU 213 Ca -0.06 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 52.86 1tye s LEU 213 Cb 0.14 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 1tye s LEU 213 CO 0.88 -0.29 0.09 -1.66 -1.32 0.00 0.00 176.35 174.05 1tye s TRP 214 N 1.72 0.47 -0.25 5.38 -2.14 -1.26 -5.15 118.94 117.71 1tye s TRP 214 Ca -0.02 -0.93 -0.04 0.00 2.66 0.00 0.00 56.10 57.77 1tye s TRP 214 Cb -0.18 -0.27 0.01 0.00 -3.10 0.00 0.00 33.47 29.93 1tye s TRP 214 CO -0.08 -0.50 -0.02 -1.58 -2.66 0.00 0.00 176.95 172.11 1tye s HIS 215 N -3.93 3.03 -0.59 1.66 5.65 -1.26 -4.94 115.29 114.91 1tye s HIS 215 Ca 0.11 -1.14 -0.28 0.00 0.25 0.00 0.00 55.06 54.00 1tye s HIS 215 Cb 0.06 -2.12 0.03 0.00 -1.18 0.00 0.00 32.58 29.37 1tye s HIS 215 CO -0.07 -0.61 1.21 0.08 -0.65 0.00 0.00 174.74 174.70 1tye s VAL 216 N 1.43 3.98 0.33 0.89 1.01 -1.26 -4.92 120.40 121.87 1tye s VAL 216 Ca 0.03 0.86 0.11 0.00 0.00 0.00 0.00 61.98 62.98 1tye s VAL 216 Cb -0.16 -4.72 0.37 0.00 0.00 0.00 0.00 36.38 31.87 1tye s VAL 216 CO -0.02 -1.37 1.59 0.77 0.00 0.00 0.00 175.10 176.07 1tye h SER 217 N 9.66 -0.01 -0.64 3.32 4.64 -1.97 -2.08 113.55 126.48 1tye h SER 217 Ca -0.25 0.26 -0.36 0.00 -0.47 0.00 0.00 61.79 60.97 1tye h SER 217 Cb 1.06 0.34 -0.19 0.00 -0.31 0.00 0.00 62.40 63.30 1tye h SER 217 CO 1.19 -0.35 0.46 -1.54 -0.87 0.00 0.00 176.83 175.72 1tye n SER 218 N -5.33 4.34 -4.86 4.97 3.41 -1.26 -4.95 113.62 109.94 1tye n SER 218 Ca 0.30 -3.09 -0.22 0.00 -0.26 0.00 0.00 58.87 55.60 1tye n SER 218 Cb 0.99 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1tye n SER 218 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1tye s GLN 219 N -2.18 3.02 -0.21 4.33 0.74 -0.78 -4.44 119.66 120.14 1tye s GLN 219 Ca 0.38 -1.01 -0.16 0.00 0.05 0.00 0.00 55.36 54.62 1tye s GLN 219 Cb 0.31 -2.63 0.06 0.00 1.10 0.00 0.00 33.01 31.85 1tye s GLN 219 CO 0.05 0.37 0.53 -1.54 -0.55 0.00 0.00 175.29 174.16 1tye s SER 220 N -3.89 -0.63 0.22 6.67 1.04 -0.55 -5.01 113.70 111.55 1tye s SER 220 Ca 0.34 1.12 0.10 0.00 0.48 0.00 0.00 55.95 57.99 1tye s SER 220 Cb -0.08 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 67.07 1tye s SER 220 CO 0.26 -0.20 -0.11 -0.76 0.98 0.00 0.00 173.24 173.41 1tye s LEU 221 N 0.87 2.89 0.00 2.42 1.02 -1.26 -1.83 118.68 122.79 1tye s LEU 221 Ca -0.05 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.39 1tye s LEU 221 Cb -0.05 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.65 1tye s LEU 221 CO -0.07 0.07 0.00 -1.54 0.02 0.00 0.00 176.35 174.83 1tye n SER 222 N -0.29 -1.29 -4.48 2.29 3.41 -0.19 -4.99 113.62 108.08 1tye n SER 222 Ca -0.09 -0.25 -0.24 0.00 -0.26 0.00 0.00 58.87 58.03 1tye n SER 222 Cb 0.57 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1tye n SER 222 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1tye s PHE 223 N -0.89 2.26 0.41 7.33 0.08 -1.26 -4.92 117.98 120.99 1tye s PHE 223 Ca 0.00 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 1tye s PHE 223 Cb 0.00 -1.10 -0.08 0.00 -0.57 0.00 0.00 43.02 41.27 1tye s PHE 223 CO 0.00 0.63 0.82 0.34 -0.10 0.00 0.00 175.22 176.91 1tye s ASP 224 N -3.52 6.63 0.05 1.36 2.15 -1.26 -4.98 116.67 117.10 1tye s ASP 224 Ca 0.30 1.31 0.02 0.00 0.43 0.00 0.00 52.55 54.61 1tye s ASP 224 Cb -0.02 -2.39 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 1tye s ASP 224 CO 0.15 -0.40 -0.07 -0.55 -0.17 0.00 0.00 175.17 174.13 1tye s SER 225 N -2.87 0.84 0.00 -0.34 0.15 -1.26 -5.02 113.70 105.21 1tye s SER 225 Ca 0.54 -0.65 0.17 0.00 0.70 0.00 0.00 55.95 56.71 1tye s SER 225 Cb -0.10 0.06 0.17 0.00 -1.71 0.00 0.00 66.02 64.44 1tye s SER 225 CO 0.27 -0.28 1.07 -1.54 1.20 0.00 0.00 173.24 173.96 1tye n SER 226 N 1.12 2.51 -4.63 5.45 3.41 -1.26 -4.93 113.62 115.29 1tye n SER 226 Ca -0.20 -1.73 -0.43 0.00 -0.26 0.00 0.00 58.87 56.24 1tye n SER 226 Cb 0.56 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1tye n SER 226 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1tye s ASN 227 N -1.35 6.72 0.57 4.04 3.04 -1.26 -4.92 114.94 121.78 1tye s ASN 227 Ca 0.21 1.17 0.30 0.00 0.04 0.00 0.00 52.86 54.59 1tye s ASN 227 Cb 0.14 -2.54 1.45 0.00 -1.54 0.00 0.00 41.25 38.76 1tye s ASN 227 CO 0.21 -1.04 1.85 -0.65 -3.04 0.00 0.00 177.10 174.43 1tye h PRO 228 N 9.07 0.00 -0.07 0.43 0.11 -1.99 -2.04 132.00 137.51 1tye h PRO 228 Ca -0.25 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.88 1tye h PRO 228 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tye h PRO 228 CO 1.03 0.00 0.06 0.93 -0.21 0.00 0.00 178.00 179.81 1tye h GLU 229 N 0.00 0.00 0.00 1.05 5.08 -1.99 -1.90 114.58 116.82 1tye h GLU 229 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1tye h GLU 229 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1tye h GLU 229 CO -0.00 0.00 -0.58 1.88 -1.00 0.00 0.00 179.01 179.30 1tye h TYR 230 N 0.00 0.00 -2.20 4.33 0.05 -1.77 0.17 116.97 117.55 1tye h TYR 230 Ca 0.03 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.22 1tye h TYR 230 Cb 0.14 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.92 1tye h TYR 230 CO 0.00 0.00 0.94 1.19 -1.05 0.00 0.00 178.16 179.24 1tye n PHE 231 N -2.19 2.33 -2.70 4.88 3.01 -0.72 -1.49 117.46 120.58 1tye n PHE 231 Ca 0.03 0.13 -0.19 0.00 1.01 0.00 0.00 57.45 58.42 1tye n PHE 231 Cb 0.45 -2.61 0.00 0.00 -0.01 0.00 0.00 39.48 37.32 1tye n PHE 231 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1tye n ASP 232 N 4.83 -5.18 0.07 4.37 8.00 -1.15 -4.73 116.55 122.76 1tye n ASP 232 Ca 0.19 -0.08 -0.06 0.00 0.71 0.00 0.00 54.79 55.56 1tye n ASP 232 Cb 0.30 -4.29 -0.10 0.00 -0.02 0.00 0.00 41.12 37.01 1tye n ASP 232 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1tye h GLY 233 N -0.50 0.00 -2.29 0.44 0.00 -1.21 -3.42 103.07 96.09 1tye h GLY 233 Ca -0.44 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.67 1tye h GLY 233 CO 0.51 0.00 -0.30 -1.72 0.00 0.00 0.00 176.54 175.03 1tye n TYR 234 N -3.32 -0.89 -1.53 5.60 4.01 -0.57 -2.15 117.16 118.31 1tye n TYR 234 Ca -0.00 0.20 -0.48 0.00 -0.16 0.00 0.00 57.90 57.46 1tye n TYR 234 Cb 0.91 -2.74 -0.05 0.00 -0.31 0.00 0.00 39.34 37.14 1tye n TYR 234 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1tye n TRP 235 N -3.93 1.82 0.00 -0.72 -0.00 -0.26 -0.84 117.44 113.52 1tye n TRP 235 Ca -0.08 0.09 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1tye n TRP 235 Cb 0.57 -2.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.26 1tye n TRP 235 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1tye n GLY 236 N 6.00 1.31 0.26 5.87 0.00 0.41 -2.29 105.19 116.74 1tye n GLY 236 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.54 1tye n GLY 236 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1tye h TYR 237 N 0.00 0.00 -1.80 1.61 5.03 -0.61 -3.36 116.97 117.83 1tye h TYR 237 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1tye h TYR 237 Cb 0.00 0.00 -0.22 0.00 1.55 0.00 0.00 36.73 38.06 1tye h TYR 237 CO 0.00 0.00 0.33 -1.54 -1.32 0.00 0.00 178.16 175.63 1tye s SER 238 N -4.90 -0.55 0.14 -2.11 1.04 -1.25 -4.71 113.70 101.36 1tye s SER 238 Ca -0.02 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 1tye s SER 238 Cb 0.10 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1tye s SER 238 CO 0.39 -0.41 0.13 0.68 0.98 0.00 0.00 173.24 175.01 1tye s VAL 239 N -0.77 0.09 0.12 5.02 -7.23 -1.26 -0.77 120.40 115.60 1tye s VAL 239 Ca -0.05 -1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 58.11 1tye s VAL 239 Cb -0.01 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 35.00 1tye s VAL 239 CO 0.04 -0.40 0.83 0.00 -0.31 0.00 0.00 175.10 175.25 1tye s ALA 240 N -4.03 -1.63 0.27 1.32 0.00 -0.41 -4.86 121.76 112.42 1tye s ALA 240 Ca 0.22 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1tye s ALA 240 Cb 0.06 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 1tye s ALA 240 CO 0.02 -0.87 -0.03 0.14 0.00 0.00 0.00 175.76 175.01 1tye s VAL 241 N -3.42 1.43 0.00 0.00 -7.23 -1.26 -0.78 120.40 109.14 1tye s VAL 241 Ca 0.07 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1tye s VAL 241 Cb -0.02 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1tye s VAL 241 CO -0.04 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1tye n GLY 242 N -0.55 -0.52 3.49 2.32 0.00 -0.70 -4.80 105.19 104.42 1tye n GLY 242 Ca -0.05 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1tye n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tye s GLU 243 N -2.00 3.50 0.00 1.61 2.56 -1.26 -1.53 118.70 121.59 1tye s GLU 243 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.36 1tye s GLU 243 Cb 0.00 -3.62 0.00 0.00 2.00 0.00 0.00 34.13 32.51 1tye s GLU 243 CO 0.00 -0.36 0.02 1.19 -0.56 0.00 0.00 175.26 175.54 1tye n PHE 244 N 5.02 0.00 -0.14 5.30 3.72 -1.26 -4.22 117.46 125.88 1tye n PHE 244 Ca -0.14 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1tye n PHE 244 Cb 0.50 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.21 1tye n PHE 244 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1tye n ASP 245 N -0.36 3.00 0.00 4.37 5.75 -1.26 -4.98 116.55 123.06 1tye n ASP 245 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1tye n ASP 245 Cb 0.01 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1tye n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tye n GLY 246 N 0.71 2.65 3.55 6.12 0.00 -1.26 -4.80 105.19 112.15 1tye n GLY 246 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1tye n GLY 246 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tye s ASP 247 N 0.24 6.35 0.00 1.61 2.15 -1.26 -4.89 116.67 120.87 1tye s ASP 247 Ca 0.00 -0.21 0.17 0.00 0.43 0.00 0.00 52.55 52.94 1tye s ASP 247 Cb 0.00 -2.50 0.89 0.00 -0.30 0.00 0.00 42.92 41.01 1tye s ASP 247 CO 0.00 -1.43 1.48 0.18 -0.17 0.00 0.00 175.17 175.23 1tye n LEU 248 N 8.14 0.00 0.16 -1.34 4.77 -1.26 -2.10 117.00 125.37 1tye n LEU 248 Ca 0.04 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1tye n LEU 248 Cb 0.48 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1tye n LEU 248 CO 0.68 -0.10 0.43 -1.13 -1.33 0.00 0.00 177.39 175.94 1tye h ASN 249 N 0.00 0.00 -4.28 -1.43 -1.24 -2.03 -3.45 115.58 103.16 1tye h ASN 249 Ca 0.00 0.00 -0.69 0.00 0.71 0.00 0.00 56.30 56.32 1tye h ASN 249 Cb 0.12 0.00 -0.28 0.00 0.73 0.00 0.00 38.32 38.89 1tye h ASN 249 CO 0.00 0.08 -0.85 0.42 -1.29 0.00 0.00 177.43 175.79 1tye s THR 250 N -3.23 2.41 0.03 -3.57 -4.23 -0.89 -5.13 115.64 101.02 1tye s THR 250 Ca 0.03 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1tye s THR 250 Cb 0.07 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1tye s THR 250 CO 0.73 0.58 0.09 -0.89 -0.54 0.00 0.00 174.62 174.59 1tye s THR 251 N -0.53 4.74 0.24 3.99 2.01 -1.26 -4.83 115.64 120.00 1tye s THR 251 Ca 0.07 -0.52 0.11 0.00 0.31 0.00 0.00 61.69 61.67 1tye s THR 251 Cb -0.11 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1tye s THR 251 CO 0.01 0.26 -0.18 -1.83 -0.69 0.00 0.00 174.62 172.18 1tye s GLU 252 N -2.02 1.74 0.07 4.92 1.03 -0.58 -3.52 118.70 120.35 1tye s GLU 252 Ca 0.26 -1.59 0.04 0.00 0.03 0.00 0.00 54.97 53.71 1tye s GLU 252 Cb -0.12 -1.88 -0.04 0.00 -0.80 0.00 0.00 34.13 31.28 1tye s GLU 252 CO 0.18 0.37 0.03 0.71 -1.33 0.00 0.00 175.26 175.22 1tye s TYR 253 N -2.12 3.09 -0.19 4.83 2.02 0.62 -1.73 117.35 123.87 1tye s TYR 253 Ca 0.27 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1tye s TYR 253 Cb -0.07 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1tye s TYR 253 CO 0.14 0.50 -0.14 0.08 -1.57 0.00 0.00 175.55 174.56 1tye s VAL 254 N -1.32 1.81 -0.03 0.71 1.01 0.04 -1.07 120.40 121.56 1tye s VAL 254 Ca 0.27 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1tye s VAL 254 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1tye s VAL 254 CO 0.19 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1tye s VAL 255 N 1.35 2.79 -0.13 2.92 1.01 -0.59 -1.28 120.40 126.46 1tye s VAL 255 Ca 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1tye s VAL 255 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1tye s VAL 255 CO -0.10 0.54 0.04 -0.83 0.00 0.00 0.00 175.10 174.76 1tye s GLY 256 N -0.84 1.91 -0.48 4.51 0.00 0.05 -1.42 107.32 111.05 1tye s GLY 256 Ca 0.12 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.14 1tye s GLY 256 CO 0.01 -0.26 0.48 0.00 0.00 0.00 0.00 173.10 173.32 1tye n ALA 257 N 2.75 2.96 0.11 3.20 0.00 -0.38 -0.44 120.51 128.71 1tye n ALA 257 Ca -0.18 -3.63 0.05 0.00 0.00 0.00 0.00 53.44 49.68 1tye n ALA 257 Cb 0.53 -0.83 0.28 0.00 0.00 0.00 0.00 19.45 19.43 1tye n ALA 257 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1tye n PRO 258 N 1.98 0.07 -0.03 0.00 -0.04 -1.23 -1.61 135.00 134.14 1tye n PRO 258 Ca 0.26 0.51 0.01 0.00 -0.04 0.00 0.00 63.50 64.24 1tye n PRO 258 Cb 0.47 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 32.02 1tye n PRO 258 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1tye n THR 259 N -1.86 0.91 -1.29 0.52 -2.24 -0.91 -3.98 114.28 105.42 1tye n THR 259 Ca -0.01 -0.97 -0.36 0.00 -2.27 0.00 0.00 64.05 60.44 1tye n THR 259 Cb 0.22 0.48 0.07 0.00 -2.10 0.00 0.00 70.33 69.00 1tye n THR 259 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1tye n TRP 260 N -0.53 -0.67 -3.87 4.78 -0.00 -0.74 -0.87 117.44 115.55 1tye n TRP 260 Ca 0.02 0.36 -0.32 0.00 -0.00 0.00 0.00 57.50 57.56 1tye n TRP 260 Cb 0.36 -1.93 0.01 0.00 -0.00 0.00 0.00 31.31 29.75 1tye n TRP 260 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1tye n SER 261 N -0.30 -4.15 -3.43 5.87 2.88 0.61 -0.27 113.62 114.83 1tye n SER 261 Ca 0.10 -1.05 -0.21 0.00 -1.33 0.00 0.00 58.87 56.39 1tye n SER 261 Cb 0.50 -1.47 0.06 0.00 -0.75 0.00 0.00 64.21 62.55 1tye n SER 261 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1tye n TRP 262 N -3.49 -2.23 -1.54 0.66 8.01 -1.24 -2.90 117.44 114.71 1tye n TRP 262 Ca -0.22 0.74 -0.19 0.00 -1.31 0.00 0.00 57.50 56.53 1tye n TRP 262 Cb 0.59 -4.03 -0.08 0.00 -2.01 0.00 0.00 31.31 25.78 1tye n TRP 262 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1tye n THR 263 N -3.68 0.00 0.11 -0.99 -2.24 -0.04 -4.85 114.28 102.58 1tye n THR 263 Ca -0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1tye n THR 263 Cb 0.62 -1.83 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 1tye n THR 263 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1tye h LEU 264 N 0.00 0.00 -0.04 3.22 7.12 -0.50 0.86 115.31 125.97 1tye h LEU 264 Ca -0.38 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.65 1tye h LEU 264 Cb 1.22 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.34 1tye h LEU 264 CO 0.56 0.72 -0.07 0.61 -0.13 0.00 0.00 178.44 180.12 1tye n GLY 265 N 1.25 -2.70 3.63 3.75 0.00 -0.56 -3.87 105.19 106.68 1tye n GLY 265 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 1tye n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye s ALA 266 N -3.23 -2.01 0.02 4.61 0.00 -0.63 -2.65 121.76 117.86 1tye s ALA 266 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.82 1tye s ALA 266 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1tye s ALA 266 CO 0.00 -0.88 -0.04 0.08 0.00 0.00 0.00 175.76 174.92 1tye s VAL 267 N -2.70 0.22 0.04 0.00 1.01 -0.48 -1.24 120.40 117.24 1tye s VAL 267 Ca 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1tye s VAL 267 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1tye s VAL 267 CO -0.04 -0.31 -0.07 -1.61 0.00 0.00 0.00 175.10 173.07 1tye s GLU 268 N -1.06 0.51 -0.18 2.72 2.02 -0.51 -1.35 118.70 120.85 1tye s GLU 268 Ca -0.10 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 1tye s GLU 268 Cb -0.07 -0.30 -0.01 0.00 0.10 0.00 0.00 34.13 33.84 1tye s GLU 268 CO -0.00 0.06 -0.07 0.42 0.02 0.00 0.00 175.26 175.69 1tye s ILE 269 N -1.22 3.39 0.13 -1.63 -1.09 -0.64 -1.54 121.20 118.60 1tye s ILE 269 Ca -0.09 -0.51 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 1tye s ILE 269 Cb -0.09 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 1tye s ILE 269 CO 0.00 0.47 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.31 1tye s LEU 270 N 0.90 2.45 0.00 2.97 2.01 -0.23 -0.05 118.68 126.74 1tye s LEU 270 Ca -0.01 -0.89 -0.04 0.00 0.01 0.00 0.00 54.13 53.20 1tye s LEU 270 Cb -0.15 -0.42 0.07 0.00 0.01 0.00 0.00 46.19 45.71 1tye s LEU 270 CO 0.01 -0.24 0.46 -0.90 1.01 0.00 0.00 176.35 176.68 1tye n ASP 271 N 0.25 0.20 0.00 2.29 5.68 -0.88 -0.28 116.55 123.81 1tye n ASP 271 Ca -0.13 -1.26 0.08 0.00 -0.50 0.00 0.00 54.79 52.97 1tye n ASP 271 Cb 0.59 -0.33 0.35 0.00 -1.14 0.00 0.00 41.12 40.58 1tye n ASP 271 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1tye n SER 272 N -3.20 0.00 -1.44 -1.12 3.41 -1.23 -2.07 113.62 107.97 1tye n SER 272 Ca 0.06 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1tye n SER 272 Cb 0.22 -0.49 0.33 0.00 -0.26 0.00 0.00 64.21 64.01 1tye n SER 272 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1tye n TYR 273 N -1.49 1.42 -1.02 7.33 4.01 -1.26 -4.94 117.16 121.20 1tye n TYR 273 Ca 0.04 -0.68 -0.01 0.00 -0.16 0.00 0.00 57.90 57.10 1tye n TYR 273 Cb 0.19 -0.30 -0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1tye n TYR 273 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tye n TYR 274 N 0.66 0.00 -2.34 -0.72 4.01 -0.88 -4.96 117.16 112.93 1tye n TYR 274 Ca 0.24 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 1tye n TYR 274 Cb 0.92 -1.69 -0.03 0.00 -0.31 0.00 0.00 39.34 38.22 1tye n TYR 274 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1tye s GLN 275 N -1.71 4.42 0.31 -0.72 -0.21 -1.26 -4.78 119.66 115.70 1tye s GLN 275 Ca 0.00 1.89 -0.29 0.00 0.02 0.00 0.00 55.36 56.98 1tye s GLN 275 Cb 0.00 -3.29 -0.10 0.00 1.00 0.00 0.00 33.01 30.62 1tye s GLN 275 CO 0.00 -0.26 1.39 1.03 -2.12 0.00 0.00 175.29 175.33 1tye s ARG 276 N 0.69 4.28 -0.08 2.91 0.52 -1.26 -2.08 118.95 123.93 1tye s ARG 276 Ca 0.59 2.31 0.02 0.00 -0.52 0.00 0.00 55.73 58.14 1tye s ARG 276 Cb -0.32 -3.06 -0.07 0.00 0.52 0.00 0.00 34.95 32.02 1tye s ARG 276 CO 0.32 -0.33 -0.04 1.28 0.02 0.00 0.00 175.30 176.55 1tye n LEU 277 N 1.23 1.96 -3.54 2.53 4.32 0.93 -4.92 117.00 119.51 1tye n LEU 277 Ca 0.02 -0.03 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 1tye n LEU 277 Cb 0.41 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 42.05 1tye n LEU 277 CO 0.60 0.48 0.80 -2.28 -1.22 0.00 0.00 177.39 175.78 1tye s HIS 278 N -2.17 -0.26 -0.08 -1.77 2.46 -1.09 -4.96 115.29 107.41 1tye s HIS 278 Ca -0.09 0.16 -0.03 0.00 0.47 0.00 0.00 55.06 55.57 1tye s HIS 278 Cb 0.03 0.53 0.04 0.00 -0.13 0.00 0.00 32.58 33.05 1tye s HIS 278 CO 0.22 -0.43 0.11 0.50 -2.47 0.00 0.00 174.74 172.67 1tye s ARG 279 N -2.88 -0.00 -0.38 2.88 3.52 -1.26 -1.62 118.95 119.20 1tye s ARG 279 Ca 0.07 0.36 -0.19 0.00 -0.13 0.00 0.00 55.73 55.84 1tye s ARG 279 Cb -0.01 -0.68 0.01 0.00 -1.56 0.00 0.00 34.95 32.71 1tye s ARG 279 CO -0.07 -0.40 0.55 -0.51 -0.81 0.00 0.00 175.30 174.06 1tye s LEU 280 N 2.22 4.45 0.69 -0.88 2.01 -0.46 -4.95 118.68 121.76 1tye s LEU 280 Ca 0.04 -0.18 -0.08 0.00 0.01 0.00 0.00 54.13 53.91 1tye s LEU 280 Cb -0.13 -2.61 0.04 0.00 0.01 0.00 0.00 46.19 43.50 1tye s LEU 280 CO -0.05 -0.58 1.03 -0.13 1.01 0.00 0.00 176.35 177.62 1tye s ARG 281 N 2.50 2.49 0.63 1.70 0.52 -1.26 -1.38 118.95 124.15 1tye s ARG 281 Ca 0.19 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.47 1tye s ARG 281 Cb -0.15 -2.13 0.10 0.00 0.52 0.00 0.00 34.95 33.29 1tye s ARG 281 CO 0.15 -1.11 0.87 0.00 0.02 0.00 0.00 175.30 175.24 1tye s ALA 282 N -3.25 4.31 -0.33 2.13 0.00 -1.09 -4.90 121.76 118.63 1tye s ALA 282 Ca 0.58 -1.99 0.07 0.00 0.00 0.00 0.00 51.96 50.63 1tye s ALA 282 Cb -0.11 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 1tye s ALA 282 CO 0.47 -1.11 0.30 -0.85 0.00 0.00 0.00 175.76 174.57 1tye n GLU 283 N -2.49 4.44 -3.78 0.00 0.28 -1.26 -4.98 120.64 112.86 1tye n GLU 283 Ca 0.15 -0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.02 1tye n GLU 283 Cb 0.61 -0.85 -0.14 0.00 1.43 0.00 0.00 31.44 32.49 1tye n GLU 283 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1tye s GLN 284 N -1.72 0.12 0.34 3.44 0.74 -1.26 -5.14 119.66 116.19 1tye s GLN 284 Ca 0.03 0.30 -0.28 0.00 0.05 0.00 0.00 55.36 55.45 1tye s GLN 284 Cb 0.05 -0.07 -0.10 0.00 1.10 0.00 0.00 33.01 34.00 1tye s GLN 284 CO 0.30 -0.10 1.25 -1.64 -0.55 0.00 0.00 175.29 174.55 1tye s MET 285 N 0.72 4.31 0.00 1.67 -1.94 -1.26 -2.87 119.30 119.94 1tye s MET 285 Ca -0.05 2.09 0.00 0.00 -1.71 0.00 0.00 55.69 56.01 1tye s MET 285 Cb -0.07 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.77 1tye s MET 285 CO -0.03 -0.18 0.00 0.00 -0.01 0.00 0.00 175.02 174.80 1tye n ALA 286 N 0.68 0.00 0.25 3.03 0.00 0.30 -4.85 120.51 119.92 1tye n ALA 286 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1tye n ALA 286 Cb 0.43 -0.72 0.35 0.00 0.00 0.00 0.00 19.45 19.51 1tye n ALA 286 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tye h SER 287 N 0.00 0.00 -3.35 0.00 4.64 -1.75 -3.44 113.55 109.65 1tye h SER 287 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1tye h SER 287 Cb 0.46 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.62 1tye h SER 287 CO 0.00 0.00 -0.32 -1.22 -0.87 0.00 0.00 176.83 174.42 1tye n TYR 288 N -3.06 -1.19 -1.99 4.77 4.02 -1.26 -0.72 117.16 117.73 1tye n TYR 288 Ca 0.03 0.45 -0.42 0.00 -0.01 0.00 0.00 57.90 57.95 1tye n TYR 288 Cb 0.45 -3.03 -0.03 0.00 -0.02 0.00 0.00 39.34 36.71 1tye n TYR 288 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1tye s PHE 289 N -3.15 1.75 0.00 -0.72 2.19 -1.26 -1.47 117.98 115.32 1tye s PHE 289 Ca 0.17 0.69 0.00 0.00 0.33 0.00 0.00 56.93 58.12 1tye s PHE 289 Cb -0.07 -4.10 0.00 0.00 -1.31 0.00 0.00 43.02 37.54 1tye s PHE 289 CO 0.33 -2.83 0.00 0.41 1.83 0.00 0.00 175.22 174.96 1tye n GLY 290 N 5.49 0.81 0.22 13.12 0.00 -0.68 -2.71 105.19 121.43 1tye n GLY 290 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1tye n GLY 290 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1tye h HIS 291 N 0.00 -0.06 -3.73 1.61 2.76 -1.21 -3.41 115.15 111.11 1tye h HIS 291 Ca 0.00 0.04 -0.60 0.00 -2.20 0.00 0.00 60.37 57.61 1tye h HIS 291 Cb 0.00 0.11 -0.21 0.00 1.55 0.00 0.00 27.41 28.87 1tye h HIS 291 CO 0.00 -0.15 -0.83 -1.12 -1.30 0.00 0.00 177.93 174.53 1tye s SER 292 N -5.24 2.88 -0.21 3.26 0.01 -1.25 -4.63 113.70 108.51 1tye s SER 292 Ca -0.14 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.33 1tye s SER 292 Cb 0.17 -0.18 0.11 0.00 0.21 0.00 0.00 66.02 66.34 1tye s SER 292 CO 0.73 0.08 0.36 0.68 0.41 0.00 0.00 173.24 175.51 1tye s VAL 293 N -1.35 -0.57 0.16 3.43 -7.23 -1.26 -1.90 120.40 111.68 1tye s VAL 293 Ca 0.12 0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.41 1tye s VAL 293 Cb -0.09 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 1tye s VAL 293 CO 0.06 -0.04 -0.04 0.00 -0.31 0.00 0.00 175.10 174.77 1tye s ALA 294 N 2.53 3.10 -0.04 1.32 0.00 -0.29 -4.65 121.76 123.73 1tye s ALA 294 Ca 0.07 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1tye s ALA 294 Cb -0.14 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1tye s ALA 294 CO -0.14 0.51 -0.06 0.08 0.00 0.00 0.00 175.76 176.15 1tye s VAL 295 N -1.63 0.63 0.00 0.00 1.01 -1.26 -1.48 120.40 117.67 1tye s VAL 295 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1tye s VAL 295 Cb -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1tye s VAL 295 CO 0.17 0.24 0.00 1.07 0.00 0.00 0.00 175.10 176.58 1tye n THR 296 N 3.86 0.00 -3.10 3.92 5.66 -1.04 -4.87 114.28 118.72 1tye n THR 296 Ca -0.24 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.31 1tye n THR 296 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 1tye n THR 296 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1tye s ASP 297 N 0.00 6.33 0.22 1.09 -1.08 -1.26 -0.25 116.67 121.71 1tye s ASP 297 Ca 0.00 -1.68 0.26 0.00 -0.52 0.00 0.00 52.55 50.61 1tye s ASP 297 Cb 0.00 -2.31 0.74 0.00 -1.46 0.00 0.00 42.92 39.89 1tye s ASP 297 CO 0.00 -1.05 1.73 -0.37 0.52 0.00 0.00 175.17 176.00 1tye h VAL 298 N 5.76 0.00 0.00 1.11 -1.51 -1.86 -3.32 116.25 116.43 1tye h VAL 298 Ca -0.17 -0.51 -0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1tye h VAL 298 Cb 1.07 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1tye h VAL 298 CO 1.06 0.00 -0.28 -0.46 -1.23 0.00 0.00 177.57 176.66 1tye n ASN 299 N -2.30 1.97 0.00 4.19 0.23 -1.26 -3.37 115.26 114.71 1tye n ASN 299 Ca 0.05 -3.47 0.00 0.00 -0.53 0.00 0.00 54.58 50.63 1tye n ASN 299 Cb 0.44 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1tye n ASN 299 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tye n GLY 300 N -1.22 0.00 0.00 4.83 0.00 -1.26 -4.75 105.19 102.79 1tye n GLY 300 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1tye n GLY 300 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tye n ASP 301 N -0.18 0.00 0.00 1.61 5.68 -1.26 -4.88 116.55 117.51 1tye n ASP 301 Ca 0.00 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 1tye n ASP 301 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1tye n ASP 301 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tye n GLY 302 N 0.62 0.87 3.23 6.12 0.00 -1.26 -5.04 105.19 109.73 1tye n GLY 302 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1tye n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tye s ARG 303 N -0.23 2.30 0.30 1.61 0.52 -1.26 -5.09 118.95 117.10 1tye s ARG 303 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 1tye s ARG 303 Cb 0.00 -1.98 -0.11 0.00 0.52 0.00 0.00 34.95 33.38 1tye s ARG 303 CO 0.00 0.35 1.58 -1.01 0.02 0.00 0.00 175.30 176.24 1tye s HIS 304 N -0.13 2.73 0.36 -0.53 3.76 -1.26 -4.49 115.29 115.73 1tye s HIS 304 Ca -0.03 0.83 0.08 0.00 -0.15 0.00 0.00 55.06 55.79 1tye s HIS 304 Cb -0.13 -4.07 -0.03 0.00 1.11 0.00 0.00 32.58 29.46 1tye s HIS 304 CO 0.03 -3.53 0.25 -0.51 -0.85 0.00 0.00 174.74 170.13 1tye s ASP 305 N 0.41 4.96 -0.06 1.40 1.01 0.65 -4.10 116.67 120.94 1tye s ASP 305 Ca 0.62 -0.69 0.05 0.00 0.71 0.00 0.00 52.55 53.24 1tye s ASP 305 Cb -0.48 -0.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.68 1tye s ASP 305 CO 0.50 -0.41 -0.23 -0.22 0.21 0.00 0.00 175.17 175.02 1tye s LEU 306 N -3.96 2.03 -0.08 1.23 2.96 0.21 -2.48 118.68 118.60 1tye s LEU 306 Ca 0.41 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1tye s LEU 306 Cb -0.03 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1tye s LEU 306 CO 0.25 0.21 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.50 1tye s LEU 307 N -0.03 2.19 -0.07 -0.68 1.43 -0.55 -0.64 118.68 120.33 1tye s LEU 307 Ca -0.06 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1tye s LEU 307 Cb -0.14 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.68 1tye s LEU 307 CO 0.04 0.22 -0.08 -0.69 0.23 0.00 0.00 176.35 176.08 1tye s VAL 308 N -0.03 0.84 0.00 -1.59 1.01 -0.61 -1.14 120.40 118.89 1tye s VAL 308 Ca -0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1tye s VAL 308 Cb -0.15 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1tye s VAL 308 CO 0.05 0.30 0.27 -0.83 0.00 0.00 0.00 175.10 174.89 1tye s GLY 309 N 1.04 2.25 -0.39 4.51 0.00 -0.80 -0.96 107.32 112.97 1tye s GLY 309 Ca -0.08 -0.56 0.07 0.00 0.00 0.00 0.00 44.72 44.14 1tye s GLY 309 CO -0.00 -0.37 0.49 0.00 0.00 0.00 0.00 173.10 173.22 1tye n ALA 310 N 1.19 2.49 0.14 3.20 0.00 -0.13 -1.69 120.51 125.71 1tye n ALA 310 Ca -0.12 -3.35 0.17 0.00 0.00 0.00 0.00 53.44 50.15 1tye n ALA 310 Cb 0.53 -0.80 0.59 0.00 0.00 0.00 0.00 19.45 19.76 1tye n ALA 310 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tye h PRO 311 N 4.27 0.00 -0.17 0.00 0.13 -1.60 -0.52 132.00 134.10 1tye h PRO 311 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1tye h PRO 311 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1tye h PRO 311 CO 0.44 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 1tye n LEU 312 N -3.18 3.14 -4.63 1.56 4.32 0.10 -3.42 117.00 114.90 1tye n LEU 312 Ca 0.07 -1.18 -0.54 0.00 -0.02 0.00 0.00 56.01 54.34 1tye n LEU 312 Cb 0.79 -0.10 -0.06 0.00 -1.62 0.00 0.00 43.42 42.43 1tye n LEU 312 CO 0.18 0.59 1.03 0.00 -1.22 0.00 0.00 177.39 177.97 1tye n TYR 313 N 1.38 1.68 -3.57 -1.77 4.19 -0.23 -4.64 117.16 114.20 1tye n TYR 313 Ca 0.16 0.60 -0.38 0.00 3.31 0.00 0.00 57.90 61.59 1tye n TYR 313 Cb 0.60 -2.37 -0.11 0.00 0.49 0.00 0.00 39.34 37.95 1tye n TYR 313 CO 0.00 0.00 0.00 -1.64 0.91 0.00 0.00 176.86 176.13 1tye s MET 314 N 1.42 3.86 0.31 2.98 -1.94 -1.26 -1.06 119.30 123.61 1tye s MET 314 Ca 0.89 -0.37 -0.17 0.00 -1.71 0.00 0.00 55.69 54.32 1tye s MET 314 Cb -0.98 -3.69 -0.09 0.00 2.01 0.00 0.00 34.83 32.08 1tye s MET 314 CO 0.52 -0.23 0.76 -2.00 -0.01 0.00 0.00 175.02 174.06 1tye s GLU 315 N 1.76 4.12 -0.92 2.03 2.12 0.16 -4.69 118.70 123.28 1tye s GLU 315 Ca 0.07 0.80 -0.23 0.00 0.36 0.00 0.00 54.97 55.97 1tye s GLU 315 Cb -0.16 -2.55 0.06 0.00 0.26 0.00 0.00 34.13 31.74 1tye s GLU 315 CO 0.11 0.21 1.32 -1.12 -0.54 0.00 0.00 175.26 175.24 1tye s SER 316 N -2.06 6.43 0.69 -1.70 0.01 -1.26 -0.78 113.70 115.04 1tye s SER 316 Ca 0.52 -1.33 -0.10 0.00 1.31 0.00 0.00 55.95 56.34 1tye s SER 316 Cb -0.12 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1tye s SER 316 CO 0.18 -1.48 1.06 -0.13 0.41 0.00 0.00 173.24 173.28 1tye s ARG 317 N 4.62 2.77 0.55 12.44 3.00 -0.87 -5.02 118.95 136.44 1tye s ARG 317 Ca 0.39 0.32 -0.21 0.00 0.00 0.00 0.00 55.73 56.24 1tye s ARG 317 Cb -0.04 -2.07 -0.05 0.00 0.00 0.00 0.00 34.95 32.79 1tye s ARG 317 CO -0.03 -1.02 1.23 0.00 0.00 0.00 0.00 175.30 175.48 1tye s ALA 318 N -3.30 2.72 0.00 2.13 0.00 -1.26 -3.77 121.76 118.28 1tye s ALA 318 Ca 0.58 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1tye s ALA 318 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1tye s ALA 318 CO 0.50 -1.08 0.00 -3.47 0.00 0.00 0.00 175.76 171.71 1tye n ASP 319 N -1.16 -1.19 -1.76 0.00 2.03 -1.26 -4.22 116.55 108.99 1tye n ASP 319 Ca 0.11 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.22 1tye n ASP 319 Cb 0.48 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.44 1tye n ASP 319 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tye n ARG 320 N -0.65 -1.45 -4.18 -0.67 5.12 -1.26 -5.00 116.66 108.56 1tye n ARG 320 Ca 0.00 1.13 -0.23 0.00 -1.93 0.00 0.00 57.85 56.82 1tye n ARG 320 Cb 0.38 -5.56 -0.07 0.00 -1.16 0.00 0.00 32.46 26.05 1tye n ARG 320 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1tye s LYS 321 N -4.09 2.35 0.19 5.56 -2.85 -1.25 -5.06 119.74 114.59 1tye s LYS 321 Ca 0.00 -1.50 0.10 0.00 -1.00 0.00 0.00 55.97 53.57 1tye s LYS 321 Cb 0.00 -2.17 -0.04 0.00 -2.06 0.00 0.00 37.83 33.56 1tye s LYS 321 CO 0.00 0.21 -0.22 -0.51 0.10 0.00 0.00 175.35 174.93 1tye s LEU 322 N -3.78 2.45 -0.08 2.77 1.43 -1.26 -2.04 118.68 118.17 1tye s LEU 322 Ca 0.35 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1tye s LEU 322 Cb -0.04 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.19 1tye s LEU 322 CO 0.22 0.06 0.15 0.00 0.23 0.00 0.00 176.35 177.00 1tye s ALA 323 N -1.88 -0.15 -0.20 4.21 0.00 0.04 -4.89 121.76 118.89 1tye s ALA 323 Ca 0.20 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 1tye s ALA 323 Cb -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1tye s ALA 323 CO 0.09 -0.46 1.56 -2.00 0.00 0.00 0.00 175.76 174.96 1tye s GLU 324 N 2.00 3.90 0.00 0.00 2.12 -1.26 0.40 118.70 125.86 1tye s GLU 324 Ca 0.00 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.04 1tye s GLU 324 Cb -0.12 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.28 1tye s GLU 324 CO -0.06 -1.16 0.00 1.33 -0.54 0.00 0.00 175.26 174.84 1tye n VAL 325 N 6.16 0.00 0.00 3.70 0.24 -0.22 -1.29 118.33 126.92 1tye n VAL 325 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1tye n VAL 325 Cb 0.45 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1tye n VAL 325 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tye n GLY 326 N 0.56 1.55 3.56 7.63 0.00 -0.72 -1.24 105.19 116.54 1tye n GLY 326 Ca 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1tye n GLY 326 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tye s ARG 327 N -2.63 0.82 0.15 1.61 3.52 -1.02 -1.72 118.95 119.68 1tye s ARG 327 Ca 0.00 0.32 0.09 0.00 -0.13 0.00 0.00 55.73 56.02 1tye s ARG 327 Cb 0.00 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 1tye s ARG 327 CO 0.00 -0.23 -0.16 0.08 -0.81 0.00 0.00 175.30 174.18 1tye s VAL 328 N -0.88 2.90 -0.06 7.11 1.01 0.18 -0.95 120.40 129.72 1tye s VAL 328 Ca -0.05 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.32 1tye s VAL 328 Cb -0.01 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1tye s VAL 328 CO 0.05 -0.01 -0.16 -0.31 0.00 0.00 0.00 175.10 174.67 1tye s TYR 329 N -1.44 1.68 -0.14 5.22 1.51 -0.13 -2.50 117.35 121.55 1tye s TYR 329 Ca 0.21 -0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1tye s TYR 329 Cb -0.09 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1tye s TYR 329 CO 0.12 -0.23 -0.00 -1.17 -1.11 0.00 0.00 175.55 173.16 1tye s LEU 330 N 0.29 3.48 -0.17 -1.29 2.96 -0.69 -1.57 118.68 121.70 1tye s LEU 330 Ca -0.09 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1tye s LEU 330 Cb -0.13 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1tye s LEU 330 CO 0.03 0.23 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.87 1tye s PHE 331 N -0.01 1.82 0.17 5.38 0.40 0.18 -0.67 117.98 125.26 1tye s PHE 331 Ca 0.03 -1.14 -0.12 0.00 -0.60 0.00 0.00 56.93 55.10 1tye s PHE 331 Cb -0.13 -1.37 -0.07 0.00 0.51 0.00 0.00 43.02 41.96 1tye s PHE 331 CO 0.02 -0.63 0.52 -0.51 0.70 0.00 0.00 175.22 175.32 1tye s LEU 332 N 1.59 4.27 -0.41 -0.37 1.43 -1.26 -0.61 118.68 123.31 1tye s LEU 332 Ca 0.01 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 53.81 1tye s LEU 332 Cb -0.15 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.69 1tye s LEU 332 CO -0.08 0.04 0.94 -1.58 0.23 0.00 0.00 176.35 175.90 1tye s GLN 333 N -2.32 3.71 0.27 1.70 0.74 -1.26 -4.80 119.66 117.70 1tye s GLN 333 Ca 0.41 0.41 -0.28 0.00 0.05 0.00 0.00 55.36 55.95 1tye s GLN 333 Cb -0.13 -3.86 -0.09 0.00 1.10 0.00 0.00 33.01 30.02 1tye s GLN 333 CO 0.20 -1.09 0.94 -2.14 -0.55 0.00 0.00 175.29 172.65 1tye s PRO 334 N 3.66 4.75 0.37 1.67 0.01 -1.26 -4.98 135.00 139.22 1tye s PRO 334 Ca 0.38 1.42 -0.25 0.00 0.01 0.00 0.00 61.00 62.56 1tye s PRO 334 Cb -0.11 -3.08 -0.09 0.00 0.01 0.00 0.00 34.50 31.23 1tye s PRO 334 CO 0.23 0.42 1.09 1.03 0.01 0.00 0.00 177.00 179.78 1tye s ARG 335 N -1.54 4.23 0.48 5.54 1.81 -1.26 -4.46 118.95 123.75 1tye s ARG 335 Ca 0.45 1.67 0.00 0.00 -1.72 0.00 0.00 55.73 56.12 1tye s ARG 335 Cb -0.23 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.56 1tye s ARG 335 CO 0.29 -0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.19 1tye n GLY 336 N 0.61 -2.25 2.93 -3.53 0.00 -1.26 -4.37 105.19 97.32 1tye n GLY 336 Ca 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 1tye n GLY 336 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tye n PRO 337 N -0.44 0.20 -4.44 1.61 -0.02 -1.26 -4.84 135.00 125.81 1tye n PRO 337 Ca 0.00 -0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 60.70 1tye n PRO 337 Cb 0.00 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1tye n PRO 337 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1tye s HIS 338 N 4.73 1.32 0.33 6.00 3.76 -1.26 -5.13 115.29 125.04 1tye s HIS 338 Ca 0.04 -0.34 -0.28 0.00 -0.15 0.00 0.00 55.06 54.33 1tye s HIS 338 Cb 0.01 -0.79 -0.10 0.00 1.11 0.00 0.00 32.58 32.81 1tye s HIS 338 CO -0.00 0.04 1.20 0.00 -0.85 0.00 0.00 174.74 175.12 1tye s ALA 339 N -0.77 3.37 -0.31 -1.40 0.00 -1.26 -4.76 121.76 116.63 1tye s ALA 339 Ca 0.03 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1tye s ALA 339 Cb -0.08 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1tye s ALA 339 CO 0.01 -0.44 1.39 -0.51 0.00 0.00 0.00 175.76 176.20 1tye s LEU 340 N -1.88 3.81 0.00 0.00 1.02 -1.26 -4.81 118.68 115.55 1tye s LEU 340 Ca 0.50 1.19 0.00 0.00 0.02 0.00 0.00 54.13 55.83 1tye s LEU 340 Cb -0.34 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.33 1tye s LEU 340 CO 0.45 -1.20 0.00 0.61 0.02 0.00 0.00 176.35 176.22 1tye n GLY 341 N 4.57 -0.76 3.36 -3.19 0.00 -1.26 -5.03 105.19 102.88 1tye n GLY 341 Ca 0.16 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1tye n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye n ALA 342 N -3.00 -3.59 -1.94 4.61 0.00 -1.26 -4.88 120.51 110.44 1tye n ALA 342 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 1tye n ALA 342 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1tye n ALA 342 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1tye s PRO 343 N -4.03 4.21 0.37 0.00 0.02 -1.26 -4.86 135.00 129.45 1tye s PRO 343 Ca 0.63 2.33 0.27 0.00 0.02 0.00 0.00 61.00 64.25 1tye s PRO 343 Cb -0.19 -3.36 0.84 0.00 0.02 0.00 0.00 34.50 31.81 1tye s PRO 343 CO 0.65 -0.66 1.77 0.77 -0.33 0.00 0.00 177.00 179.20 1tye h SER 344 N 7.49 0.00 -3.22 2.53 0.02 -1.23 -3.45 113.55 115.69 1tye h SER 344 Ca -0.43 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1tye h SER 344 Cb 1.20 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.50 1tye h SER 344 CO 0.92 0.00 0.30 -0.22 -1.14 0.00 0.00 176.83 176.69 1tye s LEU 345 N -5.43 -0.60 -0.65 5.07 2.96 -1.23 -4.99 118.68 113.81 1tye s LEU 345 Ca 0.06 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 1tye s LEU 345 Cb 0.09 2.06 0.16 0.00 0.50 0.00 0.00 46.19 49.00 1tye s LEU 345 CO 0.57 -0.18 0.45 -0.76 -1.32 0.00 0.00 176.35 175.11 1tye s LEU 346 N 0.70 5.08 -0.03 -0.68 1.02 -1.26 -1.70 118.68 121.81 1tye s LEU 346 Ca -0.02 -3.06 -0.29 0.00 0.02 0.00 0.00 54.13 50.78 1tye s LEU 346 Cb -0.05 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 1tye s LEU 346 CO -0.08 -0.30 0.95 -0.76 0.02 0.00 0.00 176.35 176.18 1tye s LEU 347 N -0.36 4.34 -0.01 1.79 1.43 -1.04 -4.93 118.68 119.90 1tye s LEU 347 Ca 0.19 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1tye s LEU 347 Cb -0.19 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1tye s LEU 347 CO -0.04 -0.28 -0.07 0.42 0.23 0.00 0.00 176.35 176.60 1tye s THR 348 N 1.21 0.56 1.18 5.49 -4.23 -1.26 0.52 115.64 119.11 1tye s THR 348 Ca 0.49 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.53 1tye s THR 348 Cb -0.20 -0.47 0.21 0.00 1.34 0.00 0.00 72.50 73.38 1tye s THR 348 CO 0.25 0.16 0.45 0.61 -0.54 0.00 0.00 174.62 175.55 1tye n GLY 349 N 2.91 -2.60 0.00 3.99 0.00 -0.70 -4.98 105.19 103.81 1tye n GLY 349 Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1tye n GLY 349 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tye n THR 350 N -4.82 0.00 -2.81 2.61 -2.24 -1.26 -4.87 114.28 100.88 1tye n THR 350 Ca 0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 1tye n THR 350 Cb 0.56 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1tye n THR 350 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1tye s GLN 351 N -1.66 4.72 0.10 -0.78 2.00 -1.26 -5.01 119.66 117.77 1tye s GLN 351 Ca 0.00 1.38 -0.31 0.00 -2.00 0.00 0.00 55.36 54.43 1tye s GLN 351 Cb 0.00 -3.31 -0.07 0.00 0.80 0.00 0.00 33.01 30.42 1tye s GLN 351 CO 0.00 0.41 1.32 -1.17 -0.50 0.00 0.00 175.29 175.36 1tye s LEU 352 N -0.71 4.37 0.00 3.68 2.96 -1.26 -3.02 118.68 124.70 1tye s LEU 352 Ca 0.42 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1tye s LEU 352 Cb -0.24 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1tye s LEU 352 CO 0.29 -0.59 0.00 -1.22 -1.32 0.00 0.00 176.35 173.51 1tye n TYR 353 N 3.93 0.00 0.40 5.38 4.01 -0.41 -4.89 117.16 125.58 1tye n TYR 353 Ca 0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 1tye n TYR 353 Cb 0.44 -0.74 0.50 0.00 -0.31 0.00 0.00 39.34 39.22 1tye n TYR 353 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tye n GLY 354 N -1.59 -1.29 3.51 2.72 0.00 -1.17 -4.60 105.19 102.77 1tye n GLY 354 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1tye n GLY 354 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tye n ARG 355 N -2.26 -2.69 -2.12 1.61 1.74 -1.24 -1.78 116.66 109.92 1tye n ARG 355 Ca 0.02 0.67 -0.41 0.00 -0.77 0.00 0.00 57.85 57.36 1tye n ARG 355 Cb 0.23 -5.08 -0.03 0.00 -1.02 0.00 0.00 32.46 26.57 1tye n ARG 355 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1tye s PHE 356 N -3.48 3.13 0.00 -1.55 5.36 -0.37 -2.24 117.98 118.83 1tye s PHE 356 Ca 0.34 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1tye s PHE 356 Cb -0.08 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1tye s PHE 356 CO 0.80 -2.18 0.00 0.41 -1.46 0.00 0.00 175.22 172.79 1tye n GLY 357 N 2.00 0.09 0.44 13.12 0.00 -0.71 -2.45 105.19 117.68 1tye n GLY 357 Ca 0.05 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.33 1tye n GLY 357 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tye h SER 358 N 0.00 0.00 -3.87 1.61 0.87 -1.38 -3.39 113.55 107.39 1tye h SER 358 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1tye h SER 358 Cb 0.00 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 61.73 1tye h SER 358 CO 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 176.83 176.21 1tye s ALA 359 N -4.87 -1.34 -0.10 6.23 0.00 -1.25 -4.69 121.76 115.73 1tye s ALA 359 Ca -0.05 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 1tye s ALA 359 Cb 0.20 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.45 1tye s ALA 359 CO 0.70 -0.26 0.01 0.42 0.00 0.00 0.00 175.76 176.63 1tye s ILE 360 N 0.38 0.39 -0.14 0.00 1.01 -1.26 -0.86 121.20 120.72 1tye s ILE 360 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1tye s ILE 360 Cb -0.04 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1tye s ILE 360 CO -0.01 0.14 -0.20 0.00 0.00 0.00 0.00 174.94 174.87 1tye s ALA 361 N 1.96 2.31 -0.35 9.38 0.00 -0.38 -4.59 121.76 130.08 1tye s ALA 361 Ca 0.04 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 1tye s ALA 361 Cb -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1tye s ALA 361 CO -0.06 0.02 1.27 -1.25 0.00 0.00 0.00 175.76 175.74 1tye s PRO 362 N 0.73 3.83 0.95 0.00 0.04 -1.26 -1.21 135.00 138.09 1tye s PRO 362 Ca -0.08 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1tye s PRO 362 Cb -0.16 -3.90 0.18 0.00 0.04 0.00 0.00 34.50 30.67 1tye s PRO 362 CO 0.00 -1.23 1.27 -0.51 0.04 0.00 0.00 177.00 176.58 1tye s LEU 363 N 4.52 2.49 0.00 -3.56 1.43 -0.69 -3.73 118.68 119.14 1tye s LEU 363 Ca 0.55 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1tye s LEU 363 Cb -0.14 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1tye s LEU 363 CO 0.25 -2.68 0.00 0.61 0.23 0.00 0.00 176.35 174.77 1tye n GLY 364 N -3.40 0.79 3.05 -3.19 0.00 -1.26 -4.24 105.19 96.94 1tye n GLY 364 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1tye n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tye s ASP 365 N -1.00 5.19 0.08 1.61 -1.08 -1.26 -0.78 116.67 119.43 1tye s ASP 365 Ca 0.00 -3.18 -0.26 0.00 -0.52 0.00 0.00 52.55 48.59 1tye s ASP 365 Cb 0.00 -1.81 -0.10 0.00 -1.46 0.00 0.00 42.92 39.55 1tye s ASP 365 CO 0.00 -0.28 1.42 -0.07 0.52 0.00 0.00 175.17 176.76 1tye h LEU 366 N 6.54 -1.26 0.00 -1.34 3.38 -1.91 -2.73 115.31 117.99 1tye h LEU 366 Ca 0.03 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1tye h LEU 366 Cb 0.89 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1tye h LEU 366 CO 0.74 -0.39 0.00 -0.90 0.09 0.00 0.00 178.44 177.98 1tye n ASP 367 N -4.72 0.00 -0.17 -0.43 5.75 -1.26 -2.82 116.55 112.89 1tye n ASP 367 Ca -0.05 -0.32 -0.02 0.00 -0.01 0.00 0.00 54.79 54.38 1tye n ASP 367 Cb 0.30 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1tye n ASP 367 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tye n ARG 368 N -1.21 -1.48 0.00 0.11 5.12 -1.03 -4.85 116.66 113.32 1tye n ARG 368 Ca 0.15 0.48 0.02 0.00 -1.93 0.00 0.00 57.85 56.58 1tye n ARG 368 Cb 0.19 -4.64 0.12 0.00 -1.16 0.00 0.00 32.46 26.97 1tye n ARG 368 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1tye n ASP 369 N -0.75 0.00 0.00 0.55 5.75 -1.26 -4.79 116.55 116.05 1tye n ASP 369 Ca -0.02 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1tye n ASP 369 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1tye n ASP 369 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tye n GLY 370 N 0.05 0.66 2.85 6.12 0.00 -1.26 -5.05 105.19 108.56 1tye n GLY 370 Ca 0.03 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1tye n GLY 370 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tye s TYR 371 N -2.00 1.14 0.50 1.61 2.02 -1.26 -4.54 117.35 114.81 1tye s TYR 371 Ca 0.00 -0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 55.98 1tye s TYR 371 Cb 0.00 -1.04 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 1tye s TYR 371 CO 0.00 -0.42 1.32 -0.80 -1.57 0.00 0.00 175.55 174.08 1tye s ASN 372 N 1.76 5.66 0.45 2.29 0.02 -1.25 -4.22 114.94 119.64 1tye s ASN 372 Ca 0.04 2.68 0.06 0.00 -1.02 0.00 0.00 52.86 54.62 1tye s ASN 372 Cb -0.13 -2.63 -0.05 0.00 0.02 0.00 0.00 41.25 38.47 1tye s ASN 372 CO -0.06 -1.30 0.09 -1.81 0.02 0.00 0.00 177.10 174.04 1tye s ASP 373 N -0.94 4.17 0.11 -1.22 1.01 0.04 -2.76 116.67 117.07 1tye s ASP 373 Ca 0.67 -1.34 -0.01 0.00 0.71 0.00 0.00 52.55 52.57 1tye s ASP 373 Cb -0.38 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.37 1tye s ASP 373 CO 0.47 -0.63 0.04 0.27 0.21 0.00 0.00 175.17 175.53 1tye s ILE 374 N -2.72 0.14 -0.05 0.77 -4.36 -0.62 -1.70 121.20 112.65 1tye s ILE 374 Ca 0.30 -1.86 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1tye s ILE 374 Cb 0.05 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.89 1tye s ILE 374 CO 0.16 -0.62 -0.13 0.00 0.24 0.00 0.00 174.94 174.60 1tye s ALA 375 N -4.01 1.25 -0.10 2.27 0.00 -0.35 -1.28 121.76 119.54 1tye s ALA 375 Ca 0.19 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1tye s ALA 375 Cb 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1tye s ALA 375 CO -0.02 0.16 -0.20 0.08 0.00 0.00 0.00 175.76 175.78 1tye s VAL 376 N 0.44 2.44 0.10 0.00 1.01 0.79 -1.25 120.40 123.93 1tye s VAL 376 Ca -0.10 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1tye s VAL 376 Cb -0.14 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1tye s VAL 376 CO 0.03 0.55 0.40 0.00 0.00 0.00 0.00 175.10 176.08 1tye s ALA 377 N 0.16 3.74 -0.42 5.51 0.00 -0.04 -0.65 121.76 130.06 1tye s ALA 377 Ca -0.11 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.48 1tye s ALA 377 Cb -0.16 -2.24 0.21 0.00 0.00 0.00 0.00 23.12 20.93 1tye s ALA 377 CO 0.06 0.59 0.50 0.00 0.00 0.00 0.00 175.76 176.91 1tye n ALA 378 N 0.62 1.85 0.05 0.00 0.00 -0.98 -1.74 120.51 120.32 1tye n ALA 378 Ca -0.06 -2.87 0.17 0.00 0.00 0.00 0.00 53.44 50.68 1tye n ALA 378 Cb 0.52 -0.90 0.37 0.00 0.00 0.00 0.00 19.45 19.44 1tye n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1tye h PRO 379 N 4.77 0.00 0.00 0.00 0.11 -1.60 0.32 132.00 135.59 1tye h PRO 379 Ca 0.13 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 1tye h PRO 379 Cb 0.93 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.95 1tye h PRO 379 CO 0.37 0.00 -0.49 0.66 -0.21 0.00 0.00 178.00 178.32 1tye n TYR 380 N -3.02 0.00 -2.51 0.65 4.01 -0.73 -3.49 117.16 112.06 1tye n TYR 380 Ca 0.11 -0.96 -0.23 0.00 -0.16 0.00 0.00 57.90 56.67 1tye n TYR 380 Cb 1.14 -0.18 0.07 0.00 -0.31 0.00 0.00 39.34 40.06 1tye n TYR 380 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1tye s GLY 381 N -2.58 1.78 0.00 2.72 0.00 0.11 -3.76 107.32 105.59 1tye s GLY 381 Ca 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1tye s GLY 381 CO -0.06 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.70 1tye n GLY 382 N -2.63 1.70 0.37 0.20 0.00 -1.26 0.05 105.19 103.62 1tye n GLY 382 Ca 0.10 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.27 1tye n GLY 382 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tye h PRO 383 N 0.00 1.03 0.00 1.61 0.11 -1.97 -1.53 132.00 131.26 1tye h PRO 383 Ca 0.00 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.87 1tye h PRO 383 Cb 0.00 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1tye h PRO 383 CO 0.00 0.68 -0.85 0.66 -0.21 0.00 0.00 178.00 178.28 1tye h SER 384 N 1.06 0.05 0.00 -2.05 4.64 -1.96 -3.47 113.55 111.82 1tye h SER 384 Ca 0.43 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1tye h SER 384 Cb 0.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1tye h SER 384 CO -0.18 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1tye n GLY 385 N 0.89 0.56 0.34 -0.77 0.00 -0.58 -4.94 105.19 100.69 1tye n GLY 385 Ca -0.01 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.42 1tye n GLY 385 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tye n ARG 386 N -2.72 1.46 0.00 1.61 1.74 -1.16 -4.36 116.66 113.23 1tye n ARG 386 Ca 0.00 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 1tye n ARG 386 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1tye n ARG 386 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tye n GLY 387 N 1.10 1.59 3.64 -0.13 0.00 0.11 -4.35 105.19 107.15 1tye n GLY 387 Ca 0.20 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 1tye n GLY 387 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tye s GLN 388 N -3.45 0.48 -0.16 1.61 -2.07 -0.94 -2.50 119.66 112.63 1tye s GLN 388 Ca 0.00 0.58 -0.08 0.00 -1.82 0.00 0.00 55.36 54.04 1tye s GLN 388 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1tye s GLN 388 CO 0.00 -0.06 0.10 0.08 -1.32 0.00 0.00 175.29 174.09 1tye s VAL 389 N 0.24 5.12 -0.09 3.63 1.01 -0.23 -2.31 120.40 127.77 1tye s VAL 389 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1tye s VAL 389 Cb -0.05 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1tye s VAL 389 CO -0.07 0.51 -0.06 -0.76 0.00 0.00 0.00 175.10 174.72 1tye s LEU 390 N -0.14 3.18 -0.18 3.92 1.02 0.18 -1.16 118.68 125.50 1tye s LEU 390 Ca 0.09 -0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.11 1tye s LEU 390 Cb -0.12 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 1tye s LEU 390 CO 0.01 0.30 0.07 -0.69 0.02 0.00 0.00 176.35 176.06 1tye s VAL 391 N -0.46 4.84 -0.08 -1.59 1.01 -0.54 -0.15 120.40 123.43 1tye s VAL 391 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1tye s VAL 391 Cb -0.12 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1tye s VAL 391 CO 0.02 0.46 -0.21 -0.36 0.00 0.00 0.00 175.10 175.01 1tye s PHE 392 N 0.34 2.26 0.22 5.22 0.40 -0.41 -1.55 117.98 124.46 1tye s PHE 392 Ca 0.04 -0.85 -0.10 0.00 -0.60 0.00 0.00 56.93 55.41 1tye s PHE 392 Cb -0.12 -1.52 -0.07 0.00 0.51 0.00 0.00 43.02 41.81 1tye s PHE 392 CO -0.00 -0.34 0.55 -0.51 0.70 0.00 0.00 175.22 175.62 1tye s LEU 393 N 0.29 4.19 -0.09 -0.37 1.43 -1.26 -1.58 118.68 121.28 1tye s LEU 393 Ca -0.14 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1tye s LEU 393 Cb -0.16 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1tye s LEU 393 CO 0.07 -0.05 1.27 -0.83 0.23 0.00 0.00 176.35 177.04 1tye s GLY 394 N -2.28 1.87 0.00 -3.19 0.00 -1.11 -2.50 107.32 100.11 1tye s GLY 394 Ca 0.46 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1tye s GLY 394 CO 0.21 2.40 0.00 -0.18 0.00 0.00 0.00 173.10 175.53 1tye n GLN 395 N 5.85 3.81 -0.01 2.90 0.00 -0.93 -4.73 117.38 124.27 1tye n GLN 395 Ca 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.12 1tye n GLN 395 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.66 1tye n GLN 395 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1tye n SER 396 N 0.00 4.18 -0.94 1.69 2.88 -1.26 -4.32 113.62 115.85 1tye n SER 396 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1tye n SER 396 Cb 0.00 0.84 0.12 0.00 -0.75 0.00 0.00 64.21 64.41 1tye n SER 396 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tye n GLU 397 N -1.91 2.17 0.00 -1.46 1.02 -1.26 -4.88 120.64 114.33 1tye n GLU 397 Ca -0.03 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.19 1tye n GLU 397 Cb 0.38 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1tye n GLU 397 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tye n GLY 398 N 1.29 -0.02 3.19 0.62 0.00 -1.26 -5.01 105.19 104.00 1tye n GLY 398 Ca 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1tye n GLY 398 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tye s LEU 399 N 0.00 1.52 -0.02 0.99 1.02 -1.26 -2.18 118.68 118.74 1tye s LEU 399 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 54.13 53.23 1tye s LEU 399 Cb 0.00 0.93 -0.04 0.00 0.02 0.00 0.00 46.19 47.10 1tye s LEU 399 CO 0.00 -0.68 1.23 -0.13 0.02 0.00 0.00 176.35 176.79 1tye s ARG 400 N -3.56 4.36 0.13 1.70 0.52 -1.04 -4.85 118.95 116.21 1tye s ARG 400 Ca 0.03 1.73 0.09 0.00 -0.52 0.00 0.00 55.73 57.06 1tye s ARG 400 Cb 0.04 -3.52 0.49 0.00 0.52 0.00 0.00 34.95 32.48 1tye s ARG 400 CO -0.09 -0.42 1.28 0.43 0.02 0.00 0.00 175.30 176.52 1tye n SER 401 N 4.96 0.23 -4.42 0.23 7.64 -1.26 -4.58 113.62 116.42 1tye n SER 401 Ca 0.11 0.61 -0.33 0.00 1.01 0.00 0.00 58.87 60.27 1tye n SER 401 Cb 0.46 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 1tye n SER 401 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1tye s ARG 402 N -3.22 2.86 -0.14 1.43 1.81 -1.26 -5.02 118.95 115.41 1tye s ARG 402 Ca -0.01 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 53.00 1tye s ARG 402 Cb 0.03 -2.46 -0.03 0.00 -0.45 0.00 0.00 34.95 32.04 1tye s ARG 402 CO 0.09 0.44 1.40 -1.25 -0.68 0.00 0.00 175.30 175.30 1tye s PRO 403 N -0.26 4.19 0.44 3.54 0.04 -1.26 -4.70 135.00 136.99 1tye s PRO 403 Ca 0.01 1.81 0.22 0.00 0.04 0.00 0.00 61.00 63.08 1tye s PRO 403 Cb -0.13 -3.85 1.03 0.00 0.04 0.00 0.00 34.50 31.59 1tye s PRO 403 CO 0.03 -0.79 1.90 0.66 0.04 0.00 0.00 177.00 178.84 1tye h SER 404 N 8.75 0.00 -3.90 6.66 4.64 -1.66 -3.44 113.55 124.59 1tye h SER 404 Ca -0.31 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 1tye h SER 404 Cb 1.13 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.97 1tye h SER 404 CO 0.97 0.25 -0.29 -1.58 -0.87 0.00 0.00 176.83 175.31 1tye s GLN 405 N -3.97 0.43 -0.36 4.77 0.74 -1.25 -5.03 119.66 115.00 1tye s GLN 405 Ca -0.02 0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.91 1tye s GLN 405 Cb 0.12 0.21 0.11 0.00 1.10 0.00 0.00 33.01 34.55 1tye s GLN 405 CO 0.65 -0.05 0.11 0.08 -0.55 0.00 0.00 175.29 175.53 1tye s VAL 406 N 0.16 1.63 -0.31 1.34 1.01 -1.26 -1.46 120.40 121.51 1tye s VAL 406 Ca -0.00 -2.09 -0.29 0.00 0.00 0.00 0.00 61.98 59.59 1tye s VAL 406 Cb -0.03 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1tye s VAL 406 CO 0.01 -0.69 1.14 -0.76 0.00 0.00 0.00 175.10 174.79 1tye s LEU 407 N 1.00 3.93 0.40 3.92 1.43 -0.31 -4.95 118.68 124.09 1tye s LEU 407 Ca 0.12 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1tye s LEU 407 Cb -0.20 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1tye s LEU 407 CO -0.13 -0.93 0.62 -1.81 0.23 0.00 0.00 176.35 174.33 1tye s ASP 408 N 1.94 6.14 -0.14 2.29 1.11 -1.26 -1.07 116.67 125.68 1tye s ASP 408 Ca 0.48 0.46 -0.29 0.00 0.18 0.00 0.00 52.55 53.38 1tye s ASP 408 Cb -0.13 -1.90 -0.01 0.00 1.07 0.00 0.00 42.92 41.95 1tye s ASP 408 CO 0.17 -0.46 1.13 -0.55 1.18 0.00 0.00 175.17 176.63 1tye s SER 409 N -4.10 7.08 0.00 0.27 0.15 -1.04 -4.90 113.70 111.16 1tye s SER 409 Ca 0.44 1.59 0.20 0.00 0.70 0.00 0.00 55.95 58.88 1tye s SER 409 Cb -0.10 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.67 1tye s SER 409 CO 0.38 -0.62 1.68 -0.81 1.20 0.00 0.00 173.24 175.06 1tye n PRO 410 N 5.83 1.29 -3.60 5.44 -0.04 -1.26 -4.88 135.00 137.78 1tye n PRO 410 Ca 0.11 -0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 62.94 1tye n PRO 410 Cb 0.46 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 1tye n PRO 410 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tye s PHE 411 N -1.92 2.89 0.00 0.54 0.08 -1.26 -5.13 117.98 113.17 1tye s PHE 411 Ca 0.31 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1tye s PHE 411 Cb 0.15 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1tye s PHE 411 CO 0.24 0.01 0.00 -2.30 -0.10 0.00 0.00 175.22 173.07 1tye n PRO 412 N -1.52 -0.55 -1.81 0.24 -0.02 -1.26 -4.94 135.00 125.15 1tye n PRO 412 Ca 0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 1tye n PRO 412 Cb 0.60 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.12 1tye n PRO 412 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1tye s THR 413 N -0.80 3.50 0.00 3.45 2.01 -1.26 -3.31 115.64 119.23 1tye s THR 413 Ca 0.00 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1tye s THR 413 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1tye s THR 413 CO 0.00 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 1tye n GLY 414 N -0.83 0.19 0.27 4.40 0.00 -1.26 -4.84 105.19 103.12 1tye n GLY 414 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1tye n GLY 414 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tye h SER 415 N 0.00 0.00 -2.18 1.61 4.64 -1.82 -3.38 113.55 112.41 1tye h SER 415 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1tye h SER 415 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1tye h SER 415 CO 0.00 0.10 -0.42 0.00 -0.87 0.00 0.00 176.83 175.64 1tye n ALA 416 N -2.25 -0.46 -1.59 5.18 0.00 -1.26 -0.95 120.51 119.17 1tye n ALA 416 Ca -0.02 0.15 -0.56 0.00 0.00 0.00 0.00 53.44 53.02 1tye n ALA 416 Cb 0.22 -1.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 1tye n ALA 416 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tye n PHE 417 N -3.81 1.84 0.00 0.00 7.35 -1.26 -1.33 117.46 120.26 1tye n PHE 417 Ca -0.20 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 1tye n PHE 417 Cb 0.64 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 38.00 1tye n PHE 417 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1tye n GLY 418 N 5.24 2.42 0.52 7.13 0.00 -0.76 -3.68 105.19 116.07 1tye n GLY 418 Ca 0.34 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.75 1tye n GLY 418 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tye h PHE 419 N 0.00 0.37 -4.02 1.61 3.57 -1.30 -3.38 116.94 113.79 1tye h PHE 419 Ca 0.00 0.02 -0.41 0.00 3.53 0.00 0.00 57.97 61.11 1tye h PHE 419 Cb 0.00 -0.09 -0.25 0.00 2.79 0.00 0.00 35.95 38.40 1tye h PHE 419 CO 0.00 -0.12 -0.78 -1.54 -2.23 0.00 0.00 178.31 173.63 1tye s SER 420 N -4.49 1.40 -0.06 0.41 1.04 -1.26 -4.72 113.70 106.02 1tye s SER 420 Ca -0.07 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 55.80 1tye s SER 420 Cb 0.28 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1tye s SER 420 CO 0.83 0.01 0.37 -0.76 0.98 0.00 0.00 173.24 174.67 1tye s LEU 421 N -1.00 0.62 -0.18 2.42 1.43 -1.26 -2.01 118.68 118.69 1tye s LEU 421 Ca 0.00 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1tye s LEU 421 Cb -0.07 1.39 0.06 0.00 0.03 0.00 0.00 46.19 47.60 1tye s LEU 421 CO 0.01 -0.36 0.45 -0.60 0.23 0.00 0.00 176.35 176.08 1tye s ARG 422 N -0.80 0.46 0.00 1.70 6.06 -0.96 -4.72 118.95 120.69 1tye s ARG 422 Ca -0.09 0.78 0.00 0.00 -2.50 0.00 0.00 55.73 53.92 1tye s ARG 422 Cb -0.04 0.07 0.00 0.00 0.06 0.00 0.00 34.95 35.04 1tye s ARG 422 CO 0.03 -0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.11 1tye n GLY 423 N 3.87 4.70 2.15 8.12 0.00 -1.26 -0.92 105.19 121.85 1tye n GLY 423 Ca -0.20 -1.38 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 1tye n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye n ALA 424 N -3.00 -0.12 -3.24 4.61 0.00 -1.20 -4.82 120.51 112.73 1tye n ALA 424 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1tye n ALA 424 Cb 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 1tye n ALA 424 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tye s VAL 425 N -2.25 0.32 -0.88 0.00 1.01 -1.26 -4.76 120.40 112.58 1tye s VAL 425 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1tye s VAL 425 Cb 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 36.38 36.13 1tye s VAL 425 CO 0.00 0.13 1.22 -0.62 0.00 0.00 0.00 175.10 175.84 1tye s ASP 426 N 0.44 6.43 -0.09 3.32 2.15 -1.26 -1.23 116.67 126.42 1tye s ASP 426 Ca -0.05 -1.40 -0.27 0.00 0.43 0.00 0.00 52.55 51.26 1tye s ASP 426 Cb -0.08 -2.48 -0.25 0.00 -0.30 0.00 0.00 42.92 39.81 1tye s ASP 426 CO -0.01 -1.40 0.91 -0.29 -0.17 0.00 0.00 175.17 174.21 1tye h ILE 427 N 6.21 1.66 0.00 4.11 2.10 -1.96 -3.31 117.51 126.33 1tye h ILE 427 Ca 0.02 -2.10 0.00 0.00 1.08 0.00 0.00 64.86 63.85 1tye h ILE 427 Cb 1.03 3.06 0.00 0.00 -1.09 0.00 0.00 36.82 39.83 1tye h ILE 427 CO 1.25 0.56 0.00 -0.90 -1.08 0.00 0.00 178.15 177.98 1tye n ASP 428 N -4.58 0.00 -2.87 2.19 5.68 -1.26 -4.77 116.55 110.94 1tye n ASP 428 Ca -0.10 0.44 -0.14 0.00 -0.50 0.00 0.00 54.79 54.49 1tye n ASP 428 Cb 0.48 -0.48 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1tye n ASP 428 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1tye n ASP 429 N -1.48 -2.67 -1.01 -1.12 2.03 -1.25 -4.96 116.55 106.10 1tye n ASP 429 Ca 0.07 -0.47 -0.00 0.00 0.52 0.00 0.00 54.79 54.91 1tye n ASP 429 Cb 0.28 -4.05 0.21 0.00 -0.72 0.00 0.00 41.12 36.84 1tye n ASP 429 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1tye n ASN 430 N -2.51 2.74 -0.20 1.67 6.94 -1.26 -4.94 115.26 117.70 1tye n ASN 430 Ca -0.18 -3.57 -0.03 0.00 -0.02 0.00 0.00 54.58 50.78 1tye n ASN 430 Cb 0.61 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.42 1tye n ASN 430 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tye n GLY 431 N -1.01 0.43 2.97 4.83 0.00 -1.26 -4.95 105.19 106.20 1tye n GLY 431 Ca 0.29 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1tye n GLY 431 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tye s TYR 432 N -1.59 0.87 0.37 1.61 1.51 -1.26 -5.08 117.35 113.77 1tye s TYR 432 Ca 0.00 -0.22 -0.28 0.00 -1.01 0.00 0.00 57.07 55.56 1tye s TYR 432 Cb 0.00 -0.65 -0.10 0.00 -0.11 0.00 0.00 41.96 41.11 1tye s TYR 432 CO 0.00 -0.12 1.36 -2.14 -1.11 0.00 0.00 175.55 173.54 1tye s PRO 433 N 0.34 4.13 0.53 -1.71 0.02 -1.26 -4.38 135.00 132.67 1tye s PRO 433 Ca -0.05 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.29 1tye s PRO 433 Cb -0.09 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.52 1tye s PRO 433 CO 0.00 -0.41 0.16 -0.25 -0.33 0.00 0.00 177.00 176.18 1tye n ASP 434 N 0.45 3.17 -3.78 2.53 8.00 -0.36 -4.19 116.55 122.37 1tye n ASP 434 Ca 0.02 -3.12 -0.19 0.00 0.71 0.00 0.00 54.79 52.21 1tye n ASP 434 Cb 0.42 0.20 -0.17 0.00 -0.02 0.00 0.00 41.12 41.55 1tye n ASP 434 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1tye s LEU 435 N 0.00 0.85 -0.11 0.64 2.96 -0.67 -3.26 118.68 119.09 1tye s LEU 435 Ca 0.12 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1tye s LEU 435 Cb -0.01 -0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 1tye s LEU 435 CO 0.08 -0.15 0.06 0.27 -1.32 0.00 0.00 176.35 175.29 1tye s ILE 436 N 1.43 4.78 -0.11 6.68 -4.36 -0.10 -0.92 121.20 128.60 1tye s ILE 436 Ca -0.04 -0.06 -0.00 0.00 -0.26 0.00 0.00 60.65 60.29 1tye s ILE 436 Cb -0.13 -3.06 0.02 0.00 1.25 0.00 0.00 42.46 40.55 1tye s ILE 436 CO -0.03 0.59 -0.09 -0.69 0.24 0.00 0.00 174.94 174.97 1tye s VAL 437 N -0.77 1.08 0.13 8.37 1.01 -0.09 -2.27 120.40 127.87 1tye s VAL 437 Ca 0.12 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1tye s VAL 437 Cb -0.12 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1tye s VAL 437 CO 0.03 0.37 0.54 -0.83 0.00 0.00 0.00 175.10 175.21 1tye s GLY 438 N 1.61 2.48 -0.44 4.51 0.00 -0.85 -0.63 107.32 113.99 1tye s GLY 438 Ca 0.03 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.69 1tye s GLY 438 CO -0.08 0.17 0.48 0.00 0.00 0.00 0.00 173.10 173.68 1tye n ALA 439 N 0.91 2.79 -0.10 3.20 0.00 -0.26 -1.82 120.51 125.24 1tye n ALA 439 Ca -0.06 -3.51 0.20 0.00 0.00 0.00 0.00 53.44 50.08 1tye n ALA 439 Cb 0.52 -0.81 0.63 0.00 0.00 0.00 0.00 19.45 19.79 1tye n ALA 439 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1tye h TYR 440 N 4.61 0.17 0.00 0.00 -0.00 -1.57 0.23 116.97 120.41 1tye h TYR 440 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 58.73 58.89 1tye h TYR 440 Cb 0.86 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.54 1tye h TYR 440 CO 0.39 0.06 -0.00 0.78 -0.00 0.00 0.00 178.16 179.39 1tye h GLY 441 N 0.14 0.00 -0.49 0.10 0.00 -1.23 -1.99 103.07 99.62 1tye h GLY 441 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1tye h GLY 441 CO -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 176.54 176.23 1tye n ALA 442 N -2.09 2.96 -1.37 3.60 0.00 -0.00 -4.66 120.51 118.96 1tye n ALA 442 Ca -0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1tye n ALA 442 Cb 0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 1tye n ALA 442 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tye n ASN 443 N -0.30 -4.22 -4.43 0.00 4.13 -0.75 -4.95 115.26 104.74 1tye n ASN 443 Ca 0.05 0.24 -0.21 0.00 1.68 0.00 0.00 54.58 56.34 1tye n ASN 443 Cb 0.24 -2.71 -0.10 0.00 -1.54 0.00 0.00 39.78 35.66 1tye n ASN 443 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1tye s GLN 444 N -3.00 1.55 -0.09 3.52 -0.21 -1.13 -2.05 119.66 118.25 1tye s GLN 444 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.36 53.61 1tye s GLN 444 Cb 0.00 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.77 1tye s GLN 444 CO 0.00 0.10 -0.07 0.08 -2.12 0.00 0.00 175.29 173.28 1tye s VAL 445 N -2.92 0.93 -0.04 1.09 1.01 -0.50 -1.10 120.40 118.88 1tye s VAL 445 Ca 0.29 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1tye s VAL 445 Cb 0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1tye s VAL 445 CO 0.12 0.34 0.31 0.00 0.00 0.00 0.00 175.10 175.87 1tye s ALA 446 N 1.48 3.77 -0.17 5.51 0.00 0.20 -1.17 121.76 131.38 1tye s ALA 446 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1tye s ALA 446 Cb -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1tye s ALA 446 CO -0.05 0.54 -0.14 0.08 0.00 0.00 0.00 175.76 176.19 1tye s VAL 447 N -1.09 2.67 -0.20 0.00 1.01 0.49 -0.92 120.40 122.37 1tye s VAL 447 Ca 0.21 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1tye s VAL 447 Cb -0.15 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1tye s VAL 447 CO 0.11 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.38 1tye s TYR 448 N 0.99 3.01 0.03 5.22 2.02 -0.10 -2.41 117.35 126.11 1tye s TYR 448 Ca -0.02 -0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 56.06 1tye s TYR 448 Cb -0.15 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1tye s TYR 448 CO -0.03 -0.29 0.28 1.03 -1.57 0.00 0.00 175.55 174.97 1tye s ARG 449 N 1.04 3.58 0.02 -0.62 0.52 -1.26 -1.67 118.95 120.56 1tye s ARG 449 Ca 0.01 -0.10 -0.22 0.00 -0.52 0.00 0.00 55.73 54.90 1tye s ARG 449 Cb -0.14 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 1tye s ARG 449 CO 0.01 0.62 0.67 0.00 0.02 0.00 0.00 175.30 176.62 1tye s ALA 450 N -1.37 3.43 -0.05 2.13 0.00 -1.26 -2.31 121.76 122.33 1tye s ALA 450 Ca 0.30 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1tye s ALA 450 Cb -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1tye s ALA 450 CO 0.18 0.12 -0.15 -0.65 0.00 0.00 0.00 175.76 175.25 1tye s GLN 451 N -0.11 1.80 0.00 0.00 -0.21 -1.24 -4.91 119.66 114.99 1tye s GLN 451 Ca 0.34 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1tye s GLN 451 Cb -0.19 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.30 1tye s GLN 451 CO 0.20 0.16 0.00 -2.30 -2.12 0.00 0.00 175.29 171.22