#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 0.21 -0.09 1.96 6.03 -1.26 -4.70 114.94 117.08 1tye s ASN 2 Ca 0.00 -1.30 -0.04 0.00 -1.03 0.00 0.00 52.86 50.48 1tye s ASN 2 Cb 0.00 0.35 -0.04 0.00 -3.03 0.00 0.00 41.25 38.53 1tye s ASN 2 CO 0.00 -0.80 0.09 -0.76 -2.03 0.00 0.00 177.10 173.60 1tye s LEU 3 N -3.11 4.06 -0.35 3.54 1.43 -1.26 -4.61 118.68 118.37 1tye s LEU 3 Ca 0.33 0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 1tye s LEU 3 Cb 0.07 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1tye s LEU 3 CO 0.08 0.38 1.69 -0.62 0.23 0.00 0.00 176.35 178.11 1tye s ASP 4 N -1.08 6.02 0.00 2.29 -1.08 -0.06 -4.86 116.67 117.90 1tye s ASP 4 Ca 0.16 1.16 0.22 0.00 -0.52 0.00 0.00 52.55 53.56 1tye s ASP 4 Cb -0.12 -2.53 1.03 0.00 -1.46 0.00 0.00 42.92 39.84 1tye s ASP 4 CO 0.05 -1.63 1.69 -0.81 0.52 0.00 0.00 175.17 174.99 1tye n PRO 5 N 8.34 1.37 -0.09 4.34 -0.04 -1.26 -4.16 135.00 143.49 1tye n PRO 5 Ca 0.21 -0.55 -0.17 0.00 -0.04 0.00 0.00 63.50 62.95 1tye n PRO 5 Cb 0.47 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.25 1.25 -2.90 0.52 0.31 -1.26 -4.80 118.33 111.20 1tye n VAL 6 Ca 0.16 -0.12 -0.44 0.00 -0.01 0.00 0.00 64.34 63.93 1tye n VAL 6 Cb 0.21 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.21 1tye n VAL 6 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1tye s GLN 7 N -2.49 3.89 0.02 5.55 -0.21 -1.26 -4.99 119.66 120.17 1tye s GLN 7 Ca -0.27 -2.20 0.07 0.00 0.02 0.00 0.00 55.36 52.99 1tye s GLN 7 Cb 0.08 -5.05 -0.02 0.00 1.00 0.00 0.00 33.01 29.02 1tye s GLN 7 CO 0.35 -1.82 -0.22 -0.48 -2.12 0.00 0.00 175.29 171.01 1tye s LEU 8 N 2.27 2.12 0.10 2.90 2.34 -1.26 -4.58 118.68 122.56 1tye s LEU 8 Ca 0.40 -0.48 -0.15 0.00 0.06 0.00 0.00 54.13 53.95 1tye s LEU 8 Cb -0.03 -1.09 -0.07 0.00 -0.56 0.00 0.00 46.19 44.45 1tye s LEU 8 CO -0.03 0.22 0.52 -0.89 -1.06 0.00 0.00 176.35 175.11 1tye s THR 9 N -0.68 4.87 -0.05 5.48 2.01 -0.98 -4.91 115.64 121.37 1tye s THR 9 Ca 0.09 0.91 0.05 0.00 0.31 0.00 0.00 61.69 63.04 1tye s THR 9 Cb -0.09 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1tye s THR 9 CO 0.01 0.38 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.75 1tye s PHE 10 N -1.31 2.11 0.02 4.92 0.08 -1.26 -0.12 117.98 122.42 1tye s PHE 10 Ca 0.33 -0.63 0.09 0.00 0.12 0.00 0.00 56.93 56.83 1tye s PHE 10 Cb -0.16 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1tye s PHE 10 CO 0.18 -0.21 -0.26 0.71 -0.10 0.00 0.00 175.22 175.55 1tye s TYR 11 N -0.04 2.26 0.02 0.36 2.02 -0.09 -0.63 117.35 121.26 1tye s TYR 11 Ca -0.05 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1tye s TYR 11 Cb -0.13 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1tye s TYR 11 CO 0.03 0.06 -0.12 0.00 -1.57 0.00 0.00 175.55 173.96 1tye s ALA 12 N -0.73 0.96 0.53 3.71 0.00 -0.92 -1.17 121.76 124.14 1tye s ALA 12 Ca 0.11 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1tye s ALA 12 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1tye s ALA 12 CO 0.01 0.18 0.19 0.20 0.00 0.00 0.00 175.76 176.34 1tye s GLY 13 N -0.83 2.73 0.59 0.00 0.00 -0.59 -4.21 107.32 105.02 1tye s GLY 13 Ca 0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.79 1tye s GLY 13 CO 0.00 -2.08 1.29 2.56 0.00 0.00 0.00 173.10 174.87 1tye s PRO 14 N -4.07 2.93 0.20 2.90 0.04 -1.26 -4.91 135.00 130.82 1tye s PRO 14 Ca 0.18 2.06 -0.32 0.00 0.04 0.00 0.00 61.00 62.96 1tye s PRO 14 Cb -0.00 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1tye s PRO 14 CO 0.11 -1.30 1.75 -1.71 0.04 0.00 0.00 177.00 175.89 1tye n ASN 15 N -1.43 4.02 0.00 6.66 2.85 -1.26 -2.51 115.26 123.60 1tye n ASN 15 Ca 0.13 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 1tye n ASN 15 Cb 0.47 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.92 1tye n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tye n GLY 16 N 4.02 1.38 0.00 8.20 0.00 -1.26 -4.91 105.19 112.63 1tye n GLY 16 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.24 1.61 3.41 -1.04 -4.70 113.62 110.66 1tye n SER 17 Ca 0.00 0.41 -0.18 0.00 -0.26 0.00 0.00 58.87 58.84 1tye n SER 17 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.47 -2.30 -1.67 4.33 6.02 -1.26 -1.42 117.38 119.61 1tye n GLN 18 Ca 0.08 0.85 -0.44 0.00 -0.01 0.00 0.00 57.00 57.47 1tye n GLN 18 Cb 0.30 -5.39 -0.04 0.00 1.02 0.00 0.00 30.24 26.14 1tye n GLN 18 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1tye n PHE 19 N -4.12 2.47 0.00 1.08 -0.00 -1.26 -1.30 117.46 114.33 1tye n PHE 19 Ca -0.18 -0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.10 1tye n PHE 19 Cb 0.65 -2.73 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 1tye n PHE 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1tye n GLY 20 N 4.37 1.00 0.37 7.13 0.00 -0.56 -2.97 105.19 114.54 1tye n GLY 20 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 0.57 -4.02 1.61 3.04 -1.17 -3.38 116.94 113.59 1tye h PHE 21 Ca 0.00 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 1tye h PHE 21 Cb 0.00 -0.18 -0.13 0.00 2.56 0.00 0.00 35.95 38.20 1tye h PHE 21 CO 0.00 0.23 -0.42 -1.54 -2.02 0.00 0.00 178.31 174.56 1tye s SER 22 N -5.98 0.14 0.04 0.41 1.04 -1.26 -4.57 113.70 103.52 1tye s SER 22 Ca -0.08 -0.92 -0.28 0.00 0.48 0.00 0.00 55.95 55.14 1tye s SER 22 Cb 0.21 0.38 0.09 0.00 0.10 0.00 0.00 66.02 66.80 1tye s SER 22 CO 0.77 -0.82 1.04 -1.48 0.98 0.00 0.00 173.24 173.73 1tye s LEU 23 N -2.97 -0.19 -0.11 2.42 0.05 -1.26 -1.98 118.68 114.64 1tye s LEU 23 Ca 0.16 -0.20 -0.31 0.00 0.05 0.00 0.00 54.13 53.83 1tye s LEU 23 Cb 0.05 1.87 0.12 0.00 -2.05 0.00 0.00 46.19 46.18 1tye s LEU 23 CO -0.02 -0.63 1.04 -0.62 -0.55 0.00 0.00 176.35 175.57 1tye s ASP 24 N -2.76 -0.27 0.01 1.48 2.15 -0.66 -4.85 116.67 111.77 1tye s ASP 24 Ca 0.11 0.07 -0.23 0.00 0.43 0.00 0.00 52.55 52.92 1tye s ASP 24 Cb 0.00 0.27 -0.05 0.00 -0.30 0.00 0.00 42.92 42.84 1tye s ASP 24 CO -0.03 -0.41 0.70 -0.36 -0.17 0.00 0.00 175.17 174.90 1tye s PHE 25 N -2.45 3.69 -0.04 -5.34 0.08 -1.26 -0.58 117.98 112.07 1tye s PHE 25 Ca 0.06 1.34 0.05 0.00 0.12 0.00 0.00 56.93 58.50 1tye s PHE 25 Cb -0.01 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1tye s PHE 25 CO -0.06 0.26 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.55 1tye s HIS 26 N 0.07 1.93 -0.25 0.36 5.65 0.33 -4.58 115.29 118.80 1tye s HIS 26 Ca 0.36 -0.53 -0.04 0.00 0.25 0.00 0.00 55.06 55.10 1tye s HIS 26 Cb -0.19 -1.28 0.01 0.00 -1.18 0.00 0.00 32.58 29.93 1tye s HIS 26 CO 0.20 -0.16 -0.01 0.21 -0.65 0.00 0.00 174.74 174.33 1tye s LYS 27 N -0.11 3.12 0.99 2.88 2.20 -1.26 0.84 119.74 128.40 1tye s LYS 27 Ca -0.02 -0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 54.62 1tye s LYS 27 Cb -0.11 -3.11 0.22 0.00 -1.51 0.00 0.00 37.83 33.32 1tye s LYS 27 CO 0.02 -0.33 1.34 0.16 -0.36 0.00 0.00 175.35 176.18 1tye s ASP 28 N 1.44 2.87 0.37 1.43 1.47 -0.81 -4.70 116.67 118.73 1tye s ASP 28 Ca 0.03 0.15 0.20 0.00 1.18 0.00 0.00 52.55 54.11 1tye s ASP 28 Cb -0.16 -0.11 0.30 0.00 -0.34 0.00 0.00 42.92 42.61 1tye s ASP 28 CO -0.02 -2.88 1.57 0.77 0.68 0.00 0.00 175.17 175.29 1tye h SER 29 N -1.73 0.00 0.00 2.11 4.64 -1.94 -3.09 113.55 113.54 1tye h SER 29 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1tye h SER 29 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1tye h SER 29 CO 0.33 0.25 0.00 1.41 -0.87 0.00 0.00 176.83 177.94 1tye n HIS 30 N -3.18 0.00 0.00 4.77 8.25 -1.26 -4.88 115.22 118.92 1tye n HIS 30 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1tye n HIS 30 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 1tye n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tye n GLY 31 N 0.48 2.92 3.61 -1.41 0.00 -1.17 -5.05 105.19 104.57 1tye n GLY 31 Ca 0.12 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 1.24 -4.08 1.61 1.74 -1.26 -4.67 116.66 111.24 1tye n ARG 32 Ca 0.00 0.45 -0.36 0.00 -0.77 0.00 0.00 57.85 57.17 1tye n ARG 32 Cb 0.00 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 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 -1.36 5.01 0.29 1.55 1.01 -1.26 -1.93 120.40 123.71 1tye s VAL 33 Ca 0.67 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1tye s VAL 33 Cb -0.50 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1tye s VAL 33 CO 0.54 0.59 0.03 0.00 0.00 0.00 0.00 175.10 176.26 1tye s ALA 34 N -1.00 2.20 -0.31 5.51 0.00 0.25 -3.37 121.76 125.05 1tye s ALA 34 Ca 0.15 -1.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.10 1tye s ALA 34 Cb -0.12 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.60 1tye s ALA 34 CO 0.04 -0.27 0.07 0.42 0.00 0.00 0.00 175.76 176.02 1tye s ILE 35 N -3.30 3.66 -0.18 0.00 1.01 0.18 -0.51 121.20 122.06 1tye s ILE 35 Ca 0.34 -0.98 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 1tye s ILE 35 Cb 0.07 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 1tye s ILE 35 CO 0.13 -0.03 0.94 -0.69 0.00 0.00 0.00 174.94 175.30 1tye s VAL 36 N 1.42 4.79 -0.10 2.92 1.01 0.26 -0.87 120.40 129.82 1tye s VAL 36 Ca -0.00 1.85 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1tye s VAL 36 Cb -0.18 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.97 1tye s VAL 36 CO 0.01 -0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 174.20 1tye s VAL 37 N 2.52 1.61 0.18 2.92 1.01 -0.12 -1.65 120.40 126.87 1tye s VAL 37 Ca 0.42 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1tye s VAL 37 Cb -0.16 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 1tye s VAL 37 CO 0.11 0.46 0.57 -0.83 0.00 0.00 0.00 175.10 175.42 1tye s GLY 38 N 0.78 2.41 -0.41 4.51 0.00 -0.84 -0.76 107.32 113.02 1tye s GLY 38 Ca -0.11 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.55 1tye s GLY 38 CO 0.01 0.10 0.57 0.00 0.00 0.00 0.00 173.10 173.79 1tye n ALA 39 N 0.49 1.74 0.08 3.20 0.00 -0.47 -1.49 120.51 124.06 1tye n ALA 39 Ca -0.03 -2.99 0.02 0.00 0.00 0.00 0.00 53.44 50.44 1tye n ALA 39 Cb 0.52 -0.91 0.11 0.00 0.00 0.00 0.00 19.45 19.18 1tye n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1tye n PRO 40 N 1.63 0.03 -0.17 0.00 -0.04 -1.17 -1.55 135.00 133.73 1tye n PRO 40 Ca 0.20 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 64.09 1tye n PRO 40 Cb 0.54 -1.99 0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.56 2.36 -1.90 0.54 1.74 -0.50 -3.54 116.66 113.79 1tye n ARG 41 Ca -0.00 -2.31 -0.41 0.00 -0.77 0.00 0.00 57.85 54.35 1tye n ARG 41 Cb 0.39 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 1tye n ARG 41 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1tye s THR 42 N -2.13 2.29 0.23 0.55 2.01 -0.60 -4.49 115.64 113.50 1tye s THR 42 Ca 0.26 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 1tye s THR 42 Cb 0.21 -3.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 1tye s THR 42 CO 0.06 0.06 1.38 -0.76 -0.69 0.00 0.00 174.62 174.67 1tye s LEU 43 N -1.55 4.40 0.00 4.42 1.43 -1.26 -0.58 118.68 125.54 1tye s LEU 43 Ca 0.54 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1tye s LEU 43 Cb -0.44 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1tye s LEU 43 CO 0.56 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1tye n GLY 44 N 2.27 4.63 3.73 -3.19 0.00 0.52 -4.79 105.19 108.36 1tye n GLY 44 Ca 0.06 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1tye n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tye n PRO 45 N 0.00 2.54 -3.78 1.61 -0.02 -1.26 -3.08 135.00 131.01 1tye n PRO 45 Ca 0.00 0.90 -0.24 0.00 -2.02 0.00 0.00 63.50 62.14 1tye n PRO 45 Cb 0.00 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 30.86 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 1.77 -1.39 -1.93 2.55 3.41 -1.26 -3.02 113.62 113.76 1tye n SER 46 Ca 0.08 -0.91 -0.03 0.00 -0.26 0.00 0.00 58.87 57.75 1tye n SER 46 Cb 0.36 -3.64 -0.01 0.00 -0.26 0.00 0.00 64.21 60.66 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 -4.29 -2.11 -4.05 4.33 1.13 -1.18 -4.94 117.38 106.28 1tye n GLN 47 Ca -0.28 0.17 -0.36 0.00 -1.94 0.00 0.00 57.00 54.59 1tye n GLN 47 Cb 0.67 -4.51 -0.07 0.00 0.11 0.00 0.00 30.24 26.44 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 -3.91 3.30 0.10 -1.09 2.12 -1.17 -4.81 118.70 113.24 1tye s GLU 48 Ca 0.00 -0.23 -0.32 0.00 0.36 0.00 0.00 54.97 54.78 1tye s GLU 48 Cb 0.00 -3.06 -0.12 0.00 0.26 0.00 0.00 34.13 31.22 1tye s GLU 48 CO 0.00 0.74 1.77 0.39 -0.54 0.00 0.00 175.26 177.62 1tye n GLU 49 N 2.08 2.53 0.00 4.30 1.02 -1.26 -0.36 120.64 128.96 1tye n GLU 49 Ca -0.19 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1tye n GLU 49 Cb 0.54 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 1tye n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1tye n THR 50 N 4.41 0.00 0.00 2.62 -2.24 0.24 -0.03 114.28 119.28 1tye n THR 50 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1tye n THR 50 Cb 0.34 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.07 2.24 3.81 3.38 0.00 0.25 -1.70 105.19 114.23 1tye n GLY 51 Ca 0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 0.14 0.01 -0.02 0.00 -0.45 -4.59 107.32 102.41 1tye s GLY 52 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1tye s GLY 52 CO 0.00 -0.23 -0.06 0.14 0.00 0.00 0.00 173.10 172.95 1tye s VAL 53 N -3.48 0.46 0.06 1.40 1.01 -1.26 -1.36 120.40 117.23 1tye s VAL 53 Ca 0.14 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1tye s VAL 53 Cb -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1tye s VAL 53 CO 0.09 -0.00 -0.16 -0.36 0.00 0.00 0.00 175.10 174.67 1tye s PHE 54 N -0.44 1.35 -0.44 5.22 0.40 0.06 -2.24 117.98 121.89 1tye s PHE 54 Ca -0.01 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1tye s PHE 54 Cb -0.04 -0.78 0.12 0.00 0.51 0.00 0.00 43.02 42.83 1tye s PHE 54 CO -0.00 0.07 0.18 -1.17 0.70 0.00 0.00 175.22 175.00 1tye s LEU 55 N -1.45 4.21 -0.16 -0.37 2.96 -0.51 -0.94 118.68 122.42 1tye s LEU 55 Ca 0.01 -2.64 -0.28 0.00 -0.22 0.00 0.00 54.13 51.00 1tye s LEU 55 Cb -0.09 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1tye s LEU 55 CO 0.02 -0.29 0.95 0.00 -1.32 0.00 0.00 176.35 175.71 1tye s PRO 57 N 2.34 4.06 -0.14 0.00 0.04 -1.26 0.48 135.00 140.53 1tye s PRO 57 Ca 0.44 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 1tye s PRO 57 Cb -0.17 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1tye s PRO 57 CO 0.13 0.07 1.52 -0.46 0.04 0.00 0.00 177.00 178.30 1tye s TRP 58 N -2.09 2.29 -0.16 0.56 -0.00 -1.22 -4.85 118.94 113.47 1tye s TRP 58 Ca 0.57 0.54 -0.06 0.00 -0.00 0.00 0.00 56.10 57.15 1tye s TRP 58 Cb -0.10 -3.81 0.07 0.00 -0.00 0.00 0.00 33.47 29.64 1tye s TRP 58 CO 0.17 -2.92 0.34 -0.98 -0.00 0.00 0.00 176.95 173.56 1tye s ARG 59 N 4.04 0.24 0.58 5.86 1.70 -1.26 -5.05 118.95 125.05 1tye s ARG 59 Ca 0.67 0.87 0.31 0.00 -0.47 0.00 0.00 55.73 57.11 1tye s ARG 59 Cb -0.27 0.13 1.40 0.00 -0.57 0.00 0.00 34.95 35.64 1tye s ARG 59 CO 0.25 -0.26 1.75 0.00 -1.08 0.00 0.00 175.30 175.96 1tye h ALA 60 N 8.13 2.68 -0.15 7.88 0.00 -2.02 0.16 119.26 135.94 1tye h ALA 60 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tye h ALA 60 Cb 1.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1tye h ALA 60 CO 0.15 -1.20 0.00 -0.85 0.00 0.00 0.00 179.25 177.35 1tye n GLU 61 N -3.78 1.81 0.00 0.00 0.00 -1.26 -4.58 120.64 112.82 1tye n GLU 61 Ca 0.18 -1.20 0.00 0.00 0.00 0.00 0.00 57.16 56.13 1tye n GLU 61 Cb 1.05 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 31.06 1tye n GLU 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tye n GLY 62 N 1.18 3.61 1.38 -1.84 0.00 0.04 -4.73 105.19 104.82 1tye n GLY 62 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.32 3.82 -0.02 0.00 0.20 -4.91 105.19 102.96 1tye n GLY 63 Ca 0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1tye n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tye s GLN 64 N 0.00 4.20 0.19 1.61 0.74 -1.26 -2.17 119.66 122.97 1tye s GLN 64 Ca 0.00 1.10 0.11 0.00 0.05 0.00 0.00 55.36 56.63 1tye s GLN 64 Cb 0.00 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 1tye s GLN 64 CO 0.00 -0.06 -0.23 0.00 -0.55 0.00 0.00 175.29 174.45 1tye s PRO 66 N -2.69 3.17 0.39 0.00 0.02 -1.26 -4.86 135.00 129.77 1tye s PRO 66 Ca 0.21 1.08 -0.02 0.00 0.02 0.00 0.00 61.00 62.29 1tye s PRO 66 Cb -0.08 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1tye s PRO 66 CO 0.10 -0.92 0.63 -1.12 -0.33 0.00 0.00 177.00 175.37 1tye s SER 67 N -3.25 6.30 -0.51 2.53 0.01 -1.26 -1.43 113.70 116.10 1tye s SER 67 Ca 0.61 0.65 0.04 0.00 1.31 0.00 0.00 55.95 58.56 1tye s SER 67 Cb -0.15 -2.12 0.13 0.00 0.21 0.00 0.00 66.02 64.09 1tye s SER 67 CO 0.45 -0.38 0.24 -0.22 0.41 0.00 0.00 173.24 173.74 1tye s LEU 68 N -4.37 4.34 0.55 2.44 2.96 -0.95 -4.75 118.68 118.90 1tye s LEU 68 Ca 0.43 -2.96 -0.20 0.00 -0.22 0.00 0.00 54.13 51.18 1tye s LEU 68 Cb -0.10 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1tye s LEU 68 CO 0.38 -0.24 1.20 -0.76 -1.32 0.00 0.00 176.35 175.61 1tye s LEU 69 N -0.21 3.77 0.04 -0.68 1.43 -1.26 -4.48 118.68 117.28 1tye s LEU 69 Ca 0.17 2.37 -0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1tye s LEU 69 Cb -0.25 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.45 1tye s LEU 69 CO -0.01 -1.39 -0.03 -0.36 0.23 0.00 0.00 176.35 174.79 1tye s PHE 70 N -1.58 0.40 -0.07 0.29 0.08 -1.26 -5.11 117.98 110.73 1tye s PHE 70 Ca 0.73 -0.77 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 1tye s PHE 70 Cb -0.30 -0.29 -0.06 0.00 -0.57 0.00 0.00 43.02 41.80 1tye s PHE 70 CO 0.34 -0.26 1.87 0.34 -0.10 0.00 0.00 175.22 177.40 1tye s ASP 71 N -2.12 6.33 -0.06 1.36 -1.08 -1.26 -4.86 116.67 114.98 1tye s ASP 71 Ca -0.05 2.25 0.18 0.00 -0.52 0.00 0.00 52.55 54.41 1tye s ASP 71 Cb -0.02 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.52 1tye s ASP 71 CO -0.05 -1.21 1.52 0.18 0.52 0.00 0.00 175.17 176.13 1tye n LEU 72 N 8.28 4.10 -4.81 -1.34 4.32 -1.26 -4.99 117.00 121.30 1tye n LEU 72 Ca 0.21 -2.25 -0.36 0.00 -0.02 0.00 0.00 56.01 53.59 1tye n LEU 72 Cb 0.43 -0.48 -0.06 0.00 -1.62 0.00 0.00 43.42 41.68 1tye n LEU 72 CO 0.66 0.85 0.46 -0.13 -1.22 0.00 0.00 177.39 178.01 1tye s ARG 73 N -1.46 4.29 0.40 3.23 0.52 -1.26 -4.76 118.95 119.90 1tye s ARG 73 Ca 0.45 0.94 -0.24 0.00 -0.52 0.00 0.00 55.73 56.36 1tye s ARG 73 Cb 0.27 -2.83 -0.09 0.00 0.52 0.00 0.00 34.95 32.82 1tye s ARG 73 CO 0.25 0.36 1.05 -0.51 0.02 0.00 0.00 175.30 176.47 1tye s ASP 74 N -1.69 6.74 0.18 0.23 1.11 -1.26 -4.87 116.67 117.11 1tye s ASP 74 Ca 0.45 2.04 0.09 0.00 0.18 0.00 0.00 52.55 55.31 1tye s ASP 74 Cb -0.16 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.20 1tye s ASP 74 CO 0.21 -0.50 -0.12 -1.61 1.18 0.00 0.00 175.17 174.33 1tye s GLU 75 N -2.51 1.98 -0.09 8.23 2.02 -1.16 -4.98 118.70 122.19 1tye s GLU 75 Ca 0.58 -1.29 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 1tye s GLU 75 Cb -0.22 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 31.92 1tye s GLU 75 CO 0.27 0.43 0.23 0.99 0.02 0.00 0.00 175.26 177.21 1tye s THR 76 N -1.67 -0.02 -0.06 3.63 2.01 -1.26 -2.17 115.64 116.11 1tye s THR 76 Ca 0.24 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 1tye s THR 76 Cb -0.09 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.10 1tye s THR 76 CO 0.14 0.02 0.18 -0.13 -0.69 0.00 0.00 174.62 174.15 1tye s ARG 77 N 0.57 0.25 -0.23 4.92 1.81 -0.59 -4.98 118.95 120.71 1tye s ARG 77 Ca -0.04 0.19 -0.07 0.00 -1.72 0.00 0.00 55.73 54.09 1tye s ARG 77 Cb -0.05 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.54 1tye s ARG 77 CO -0.03 -0.04 0.05 -0.80 -0.68 0.00 0.00 175.30 173.80 1tye s ASN 78 N -0.07 5.12 -0.48 0.23 0.01 -1.26 -0.29 114.94 118.20 1tye s ASN 78 Ca -0.02 -0.17 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 1tye s ASN 78 Cb -0.02 -1.90 0.14 0.00 0.41 0.00 0.00 41.25 39.88 1tye s ASN 78 CO 0.00 0.01 0.29 -0.69 -1.51 0.00 0.00 177.10 175.21 1tye s VAL 79 N 1.32 1.52 0.00 1.60 1.01 -0.51 -5.02 120.40 120.31 1tye s VAL 79 Ca 0.05 -2.83 0.00 0.00 0.00 0.00 0.00 61.98 59.20 1tye s VAL 79 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1tye s VAL 79 CO 0.03 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.79 1tye n GLY 80 N 3.23 1.56 0.59 4.51 0.00 -1.26 -2.99 105.19 110.83 1tye n GLY 80 Ca 0.13 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 7.78 2.18 -4.71 1.61 7.64 -1.26 -4.98 113.62 121.87 1tye n SER 81 Ca 0.00 -1.59 -0.31 0.00 1.01 0.00 0.00 58.87 57.98 1tye n SER 81 Cb 0.00 0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.84 2.69 -0.25 1.43 -0.21 -1.16 -4.28 119.66 116.04 1tye s GLN 82 Ca 0.19 -0.76 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 1tye s GLN 82 Cb 0.15 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 31.58 1tye s GLN 82 CO 0.35 0.56 -0.07 0.99 -2.12 0.00 0.00 175.29 175.00 1tye s THR 83 N -1.30 2.74 -0.07 -0.19 2.01 0.88 -1.43 115.64 118.27 1tye s THR 83 Ca 0.26 -1.12 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 1tye s THR 83 Cb -0.12 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1tye s THR 83 CO 0.18 0.17 0.47 -0.76 -0.69 0.00 0.00 174.62 174.00 1tye s LEU 84 N 1.29 4.34 -0.07 4.42 1.02 0.61 -0.64 118.68 129.65 1tye s LEU 84 Ca -0.01 0.89 -0.05 0.00 0.02 0.00 0.00 54.13 54.98 1tye s LEU 84 Cb -0.17 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.37 1tye s LEU 84 CO -0.05 0.10 0.17 0.00 0.02 0.00 0.00 176.35 176.59 1tye s GLN 85 N 0.10 0.18 -0.03 1.70 -2.07 -0.65 -1.54 119.66 117.35 1tye s GLN 85 Ca 0.26 0.28 0.07 0.00 -1.82 0.00 0.00 55.36 54.15 1tye s GLN 85 Cb -0.16 0.04 -0.02 0.00 -1.09 0.00 0.00 33.01 31.78 1tye s GLN 85 CO 0.12 -0.06 -0.23 0.95 -1.32 0.00 0.00 175.29 174.75 1tye s THR 86 N 0.35 2.26 -0.23 3.63 -4.23 -0.92 -0.98 115.64 115.52 1tye s THR 86 Ca -0.02 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1tye s THR 86 Cb -0.03 -1.81 0.05 0.00 1.34 0.00 0.00 72.50 72.05 1tye s THR 86 CO -0.01 0.58 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.21 1tye s PHE 87 N -0.56 2.55 -2.32 3.99 0.40 0.10 -2.99 117.98 119.16 1tye s PHE 87 Ca 0.08 -1.80 0.23 0.00 -0.60 0.00 0.00 56.93 54.84 1tye s PHE 87 Cb -0.11 -1.66 0.85 0.00 0.51 0.00 0.00 43.02 42.61 1tye s PHE 87 CO -0.00 -0.78 1.61 1.63 0.70 0.00 0.00 175.22 178.38 1tye n LYS 88 N 4.63 1.68 -2.38 0.44 5.02 -1.26 -1.15 118.16 125.15 1tye n LYS 88 Ca -0.13 -1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 54.72 1tye n LYS 88 Cb 0.45 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.85 3.43 -1.83 7.82 0.00 -1.26 -2.70 121.76 125.37 1tye s ALA 89 Ca 0.34 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1tye s ALA 89 Cb 0.18 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1tye s ALA 89 CO 0.28 -0.43 0.00 0.54 0.00 0.00 0.00 175.76 176.15 1tye n ARG 90 N 3.39 -1.64 0.02 0.00 1.74 0.96 -4.83 116.66 116.29 1tye n ARG 90 Ca 0.07 1.04 -0.00 0.00 -0.77 0.00 0.00 57.85 58.19 1tye n ARG 90 Cb 0.45 -5.66 0.30 0.00 -1.02 0.00 0.00 32.46 26.53 1tye n ARG 90 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1tye h GLN 91 N 0.00 0.48 -0.60 5.56 4.15 -1.67 -3.44 115.11 119.59 1tye h GLN 91 Ca -0.49 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 58.80 1tye h GLN 91 Cb 1.37 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1tye h GLN 91 CO 0.59 0.54 -0.03 0.41 -1.93 0.00 0.00 178.83 178.41 1tye n GLY 92 N -0.83 0.54 3.69 2.39 0.00 -1.14 -1.49 105.19 108.35 1tye n GLY 92 Ca 0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.74 4.40 0.00 0.99 2.96 -0.69 -0.86 118.68 124.75 1tye s LEU 93 Ca 0.01 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 1tye s LEU 93 Cb -0.01 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1tye s LEU 93 CO 0.02 -1.00 0.00 0.61 -1.32 0.00 0.00 176.35 174.66 1tye n GLY 94 N 4.24 0.66 0.00 7.98 0.00 0.19 -1.34 105.19 116.93 1tye n GLY 94 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.74 2.22 -3.40 4.61 0.00 -0.03 -3.75 120.51 118.42 1tye n ALA 95 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1tye n ALA 95 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.76 -0.26 0.05 0.00 0.15 -1.26 -4.83 113.70 105.79 1tye s SER 96 Ca 0.19 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.23 1tye s SER 96 Cb 0.09 1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 65.61 1tye s SER 96 CO 0.15 -0.06 -0.06 0.68 1.20 0.00 0.00 173.24 175.16 1tye s VAL 97 N 1.86 0.41 -0.26 4.45 -7.23 -1.26 -0.91 120.40 117.47 1tye s VAL 97 Ca -0.03 -1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 58.66 1tye s VAL 97 Cb -0.03 -0.82 0.07 0.00 0.56 0.00 0.00 36.38 36.16 1tye s VAL 97 CO -0.15 -0.58 0.67 0.54 -0.31 0.00 0.00 175.10 175.27 1tye s VAL 98 N -2.12 -0.00 -0.06 1.32 0.11 -0.02 -4.65 120.40 114.97 1tye s VAL 98 Ca -0.06 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1tye s VAL 98 Cb -0.05 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1tye s VAL 98 CO -0.02 0.00 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.19 1tye s SER 99 N 0.86 5.14 -0.04 3.54 0.15 -1.26 -0.31 113.70 121.78 1tye s SER 99 Ca -0.04 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 1tye s SER 99 Cb -0.05 -1.41 0.03 0.00 -1.71 0.00 0.00 66.02 62.88 1tye s SER 99 CO -0.07 0.35 0.08 0.86 1.20 0.00 0.00 173.24 175.67 1tye s TRP 100 N -0.93 -0.07 0.00 3.44 -0.00 -0.34 -4.97 118.94 116.07 1tye s TRP 100 Ca 0.15 0.28 0.00 0.00 -0.00 0.00 0.00 56.10 56.52 1tye s TRP 100 Cb -0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 33.47 33.24 1tye s TRP 100 CO 0.04 -0.11 0.01 -1.13 -0.00 0.00 0.00 176.95 175.77 1tye n SER 101 N 3.92 0.00 0.08 5.86 3.41 -1.26 -1.08 113.62 124.54 1tye n SER 101 Ca -0.24 0.01 -0.07 0.00 -0.26 0.00 0.00 58.87 58.32 1tye n SER 101 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.05 -2.92 4.04 1.82 -1.98 -3.41 116.42 114.02 1tye h ASP 102 Ca 0.00 -0.04 -0.60 0.00 -0.39 0.00 0.00 57.03 55.99 1tye h ASP 102 Cb 0.00 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 39.92 1tye h ASP 102 CO 0.00 0.97 -0.57 0.54 -1.61 0.00 0.00 179.24 178.57 1tye s VAL 103 N -2.86 4.64 -0.08 2.25 0.11 -0.24 -4.44 120.40 119.78 1tye s VAL 103 Ca 0.00 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1tye s VAL 103 Cb 0.10 -3.31 -0.02 0.00 -1.53 0.00 0.00 36.38 31.62 1tye s VAL 103 CO 0.82 0.02 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.84 1tye s ILE 104 N -1.57 3.12 -0.21 7.04 1.01 -0.10 -1.20 121.20 129.29 1tye s ILE 104 Ca 0.31 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1tye s ILE 104 Cb -0.11 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.15 1tye s ILE 104 CO 0.24 0.57 -0.08 -0.69 0.00 0.00 0.00 174.94 174.97 1tye s VAL 105 N -0.38 1.58 -0.07 2.92 1.01 0.58 -1.61 120.40 124.43 1tye s VAL 105 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1tye s VAL 105 Cb -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1tye s VAL 105 CO 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 175.10 175.04 1tye s ALA 106 N 1.41 2.54 0.32 5.51 0.00 -0.77 -0.84 121.76 129.93 1tye s ALA 106 Ca -0.03 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.05 1tye s ALA 106 Cb -0.17 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 1tye s ALA 106 CO -0.07 0.46 -0.08 0.00 0.00 0.00 0.00 175.76 176.06 1tye s ALA 108 N -2.54 1.14 0.60 0.00 0.00 0.12 -0.63 121.76 120.45 1tye s ALA 108 Ca 0.32 -2.07 0.32 0.00 0.00 0.00 0.00 51.96 50.53 1tye s ALA 108 Cb -0.01 -1.62 1.91 0.00 0.00 0.00 0.00 23.12 23.40 1tye s ALA 108 CO 0.17 -2.07 2.27 -1.35 0.00 0.00 0.00 175.76 174.78 1tye h PRO 109 N 6.61 0.00 -0.58 0.00 0.11 -1.72 -2.08 132.00 134.33 1tye h PRO 109 Ca 0.11 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.99 1tye h PRO 109 Cb 0.95 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.92 1tye h PRO 109 CO 0.31 0.00 0.19 0.91 -0.21 0.00 0.00 178.00 179.20 1tye n TRP 110 N -3.73 1.87 -2.46 0.65 8.01 -0.56 -3.55 117.44 117.68 1tye n TRP 110 Ca -0.03 -1.44 -0.41 0.00 -1.31 0.00 0.00 57.50 54.31 1tye n TRP 110 Cb 0.09 -0.62 -0.03 0.00 -2.01 0.00 0.00 31.31 28.74 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 -3.13 4.51 0.27 -0.99 0.74 -1.02 -4.17 119.66 115.87 1tye s GLN 111 Ca 0.50 1.75 -0.01 0.00 0.05 0.00 0.00 55.36 57.65 1tye s GLN 111 Cb 0.42 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1tye s GLN 111 CO 0.07 -0.10 0.47 -1.01 -0.55 0.00 0.00 175.29 174.18 1tye s HIS 112 N 0.40 3.49 -0.00 1.67 3.76 -0.30 -2.67 115.29 121.62 1tye s HIS 112 Ca 0.54 0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 55.77 1tye s HIS 112 Cb -0.29 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1tye s HIS 112 CO 0.32 0.26 0.11 -0.46 -0.85 0.00 0.00 174.74 174.13 1tye s TRP 113 N -2.06 0.04 0.17 1.40 -0.11 -0.08 0.02 118.94 118.32 1tye s TRP 113 Ca 0.40 -0.10 -0.16 0.00 1.22 0.00 0.00 56.10 57.46 1tye s TRP 113 Cb -0.10 -0.05 0.02 0.00 -1.50 0.00 0.00 33.47 31.84 1tye s TRP 113 CO 0.31 -0.23 0.45 1.21 -4.62 0.00 0.00 176.95 174.07 1tye s ASN 114 N -1.13 -0.20 -0.06 5.86 3.84 -0.15 -2.46 114.94 120.64 1tye s ASN 114 Ca -0.12 -0.52 -0.03 0.00 0.21 0.00 0.00 52.86 52.41 1tye s ASN 114 Cb -0.07 0.53 0.04 0.00 -0.55 0.00 0.00 41.25 41.20 1tye s ASN 114 CO 0.01 -0.98 0.07 -0.69 -2.79 0.00 0.00 177.10 172.72 1tye s VAL 115 N -3.87 -0.12 -0.14 -5.21 1.01 -1.26 -1.63 120.40 109.18 1tye s VAL 115 Ca 0.09 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1tye s VAL 115 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1tye s VAL 115 CO -0.04 0.10 0.12 -0.76 0.00 0.00 0.00 175.10 174.52 1tye s LEU 116 N 2.17 4.23 -0.34 3.92 1.43 0.18 -0.87 118.68 129.41 1tye s LEU 116 Ca 0.04 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1tye s LEU 116 Cb -0.13 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.19 1tye s LEU 116 CO -0.04 0.32 0.29 -0.70 0.23 0.00 0.00 176.35 176.45 1tye s GLU 117 N -0.51 0.49 6.23 1.70 2.12 -0.51 -0.09 118.70 128.14 1tye s GLU 117 Ca 0.12 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1tye s GLU 117 Cb -0.12 -0.92 0.00 0.00 0.26 0.00 0.00 34.13 33.36 1tye s GLU 117 CO 0.02 -1.14 0.00 1.63 -0.54 0.00 0.00 175.26 175.22 1tye n LYS 118 N 4.53 0.00 0.05 4.30 5.02 -1.26 -2.03 118.16 128.77 1tye n LYS 118 Ca 0.07 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1tye n LYS 118 Cb 0.43 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.79 1tye n LYS 118 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1tye n THR 119 N 0.00 1.01 -3.10 -0.18 -2.24 -1.26 -4.79 114.28 103.72 1tye n THR 119 Ca 0.00 0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.86 1tye n THR 119 Cb 0.00 -1.10 0.01 0.00 -2.10 0.00 0.00 70.33 67.14 1tye n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tye s GLU 120 N -3.12 2.90 0.23 -0.78 2.02 -0.86 -5.13 118.70 113.96 1tye s GLU 120 Ca 0.05 -1.03 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 1tye s GLU 120 Cb 0.09 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1tye s GLU 120 CO 0.29 -0.23 0.50 -1.83 0.02 0.00 0.00 175.26 174.01 1tye s GLU 121 N -4.37 1.49 0.01 1.61 -1.05 -1.26 -1.42 118.70 113.71 1tye s GLU 121 Ca 0.52 -1.10 -0.20 0.00 -0.15 0.00 0.00 54.97 54.04 1tye s GLU 121 Cb -0.10 0.49 -0.20 0.00 -0.44 0.00 0.00 34.13 33.88 1tye s GLU 121 CO 0.34 -0.63 1.16 0.00 0.95 0.00 0.00 175.26 177.08 1tye h ALA 122 N 2.23 0.13 0.00 -0.84 0.00 -1.22 -0.11 119.26 119.45 1tye h ALA 122 Ca -0.26 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1tye h ALA 122 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1tye h ALA 122 CO 0.36 0.26 0.00 0.39 0.00 0.00 0.00 179.25 180.25 1tye n GLU 123 N -4.34 0.00 -3.29 0.00 1.02 -1.26 -3.99 120.64 108.77 1tye n GLU 123 Ca -0.09 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.60 1tye n GLU 123 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.92 1tye n GLU 123 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1tye s LYS 124 N -2.64 3.01 0.27 3.49 2.20 -1.26 -4.37 119.74 120.45 1tye s LYS 124 Ca 0.00 -1.37 0.04 0.00 -0.36 0.00 0.00 55.97 54.29 1tye s LYS 124 Cb 0.00 -4.19 -0.06 0.00 -1.51 0.00 0.00 37.83 32.07 1tye s LYS 124 CO 0.00 -1.21 0.01 0.95 -0.36 0.00 0.00 175.35 174.74 1tye s THR 125 N 1.93 1.21 -1.20 3.43 -4.23 -1.03 -4.87 115.64 110.87 1tye s THR 125 Ca 0.07 -2.04 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 1tye s THR 125 Cb -0.25 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.19 1tye s THR 125 CO 0.06 -0.20 1.50 -2.84 -0.54 0.00 0.00 174.62 172.61 1tye s PRO 126 N -3.85 3.98 0.41 3.99 0.02 -1.22 -0.90 135.00 137.43 1tye s PRO 126 Ca 0.32 -2.22 0.25 0.00 0.02 0.00 0.00 61.00 59.37 1tye s PRO 126 Cb 0.06 -5.22 0.63 0.00 0.02 0.00 0.00 34.50 29.99 1tye s PRO 126 CO 0.12 -1.95 1.71 -0.39 -0.33 0.00 0.00 177.00 176.16 1tye h VAL 127 N 5.20 0.00 -0.97 3.83 -1.51 -1.49 -1.69 116.25 119.63 1tye h VAL 127 Ca 0.34 -0.79 0.10 0.00 -1.23 0.00 0.00 66.70 65.11 1tye h VAL 127 Cb 0.90 1.78 -0.05 0.00 -2.13 0.00 0.00 31.29 31.79 1tye h VAL 127 CO 1.31 0.00 -0.32 0.61 -1.23 0.00 0.00 177.57 177.94 1tye n GLY 128 N 0.90 -2.60 3.54 5.19 0.00 -1.09 -1.91 105.19 109.22 1tye n GLY 128 Ca 0.04 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.53 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 -5.16 -0.67 -0.09 1.61 0.15 -0.81 -4.63 113.70 104.10 1tye s SER 129 Ca 0.00 0.84 0.04 0.00 0.70 0.00 0.00 55.95 57.53 1tye s SER 129 Cb 0.00 0.70 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1tye s SER 129 CO 0.00 -0.53 -0.23 0.00 1.20 0.00 0.00 173.24 173.68 1tye s PHE 131 N 0.22 3.47 0.03 0.00 0.40 0.10 -1.17 117.98 121.02 1tye s PHE 131 Ca -0.14 0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 1tye s PHE 131 Cb -0.17 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1tye s PHE 131 CO 0.07 0.38 0.01 -0.51 0.70 0.00 0.00 175.22 175.87 1tye s LEU 132 N 0.07 3.56 -0.11 -0.37 2.01 0.15 -1.84 118.68 122.14 1tye s LEU 132 Ca 0.12 -0.03 -0.10 0.00 0.01 0.00 0.00 54.13 54.13 1tye s LEU 132 Cb -0.12 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 43.99 1tye s LEU 132 CO 0.01 0.25 0.28 0.00 1.01 0.00 0.00 176.35 177.90 1tye s ALA 133 N -1.17 -0.70 -0.67 4.21 0.00 -0.63 -1.37 121.76 121.43 1tye s ALA 133 Ca 0.22 0.79 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1tye s ALA 133 Cb -0.12 -0.46 0.17 0.00 0.00 0.00 0.00 23.12 22.71 1tye s ALA 133 CO 0.13 -0.14 0.46 -1.14 0.00 0.00 0.00 175.76 175.08 1tye s GLN 134 N 0.13 2.29 0.38 0.00 0.74 -0.57 -0.92 119.66 121.71 1tye s GLN 134 Ca -0.00 -3.18 0.27 0.00 0.05 0.00 0.00 55.36 52.49 1tye s GLN 134 Cb -0.02 -3.23 1.32 0.00 1.10 0.00 0.00 33.01 32.18 1tye s GLN 134 CO 0.00 -1.28 1.42 -2.30 -0.55 0.00 0.00 175.29 172.58 1tye n PRO 135 N 2.13 -0.04 -0.88 1.67 -0.02 -1.26 -1.73 135.00 134.87 1tye n PRO 135 Ca 0.20 1.16 -0.17 0.00 -2.02 0.00 0.00 63.50 62.66 1tye n PRO 135 Cb 0.36 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.72 1tye n PRO 135 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1tye n GLU 136 N -4.64 1.90 0.00 -0.52 1.02 -1.26 -3.75 120.64 113.40 1tye n GLU 136 Ca 0.36 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1tye n GLU 136 Cb 1.36 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1tye n GLU 136 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1tye n SER 137 N -0.63 0.00 -0.58 1.62 3.41 -0.84 -5.02 113.62 111.58 1tye n SER 137 Ca 0.42 -0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.92 1tye n SER 137 Cb 1.28 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 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 0.00 0.93 3.77 5.00 0.00 -0.70 -5.00 105.19 109.19 1tye n GLY 138 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.36 4.53 0.11 1.61 0.52 -1.18 -4.91 118.95 117.27 1tye s ARG 139 Ca 0.00 1.45 0.06 0.00 -0.52 0.00 0.00 55.73 56.72 1tye s ARG 139 Cb 0.00 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 1tye s ARG 139 CO 0.00 0.21 -0.15 1.03 0.02 0.00 0.00 175.30 176.41 1tye s ARG 140 N -1.96 0.97 0.23 3.54 1.81 -1.26 -1.51 118.95 120.78 1tye s ARG 140 Ca 0.50 -1.15 -0.19 0.00 -1.72 0.00 0.00 55.73 53.17 1tye s ARG 140 Cb -0.22 -0.92 0.03 0.00 -0.45 0.00 0.00 34.95 33.38 1tye s ARG 140 CO 0.28 0.19 0.60 0.00 -0.68 0.00 0.00 175.30 175.69 1tye s ALA 141 N -1.82 -1.02 0.04 2.13 0.00 -0.47 -4.97 121.76 115.64 1tye s ALA 141 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1tye s ALA 141 Cb -0.07 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1tye s ALA 141 CO 0.03 -0.89 -0.03 -1.21 0.00 0.00 0.00 175.76 173.65 1tye s GLU 142 N -3.90 0.49 -0.09 0.00 2.02 -1.26 0.30 118.70 116.26 1tye s GLU 142 Ca 0.11 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 1tye s GLU 142 Cb -0.03 0.13 0.05 0.00 0.10 0.00 0.00 34.13 34.38 1tye s GLU 142 CO 0.01 -0.08 0.19 -0.47 0.02 0.00 0.00 175.26 174.94 1tye s TYR 143 N -2.79 -0.24 -0.45 1.61 5.04 -0.32 -4.89 117.35 115.32 1tye s TYR 143 Ca -0.03 0.67 0.06 0.00 -2.44 0.00 0.00 57.07 55.34 1tye s TYR 143 Cb -0.00 -0.14 0.22 0.00 0.35 0.00 0.00 41.96 42.39 1tye s TYR 143 CO -0.06 -0.26 0.63 0.45 -1.34 0.00 0.00 175.55 174.97 1tye n SER 144 N 4.93 -1.49 0.09 4.32 2.88 -1.26 -0.48 113.62 122.60 1tye n SER 144 Ca -0.13 -2.84 0.07 0.00 -1.33 0.00 0.00 58.87 54.64 1tye n SER 144 Cb 0.51 0.51 0.33 0.00 -0.75 0.00 0.00 64.21 64.81 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 2.05 0.08 0.00 -1.46 -0.04 -1.26 -2.82 135.00 131.54 1tye n PRO 145 Ca 0.19 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.31 1tye n PRO 145 Cb 0.55 -1.75 0.08 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.63 4.12 0.33 0.00 0.52 -1.13 -4.56 118.95 115.61 1tye s ARG 147 Ca 0.17 2.27 0.07 0.00 -0.52 0.00 0.00 55.73 57.73 1tye s ARG 147 Cb 0.18 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1tye s ARG 147 CO 0.63 -0.41 0.28 0.41 0.02 0.00 0.00 175.30 176.24 1tye n GLY 148 N 0.67 2.91 0.77 -3.53 0.00 -1.26 -5.00 105.19 99.74 1tye n GLY 148 Ca 0.02 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.17 1tye n GLY 148 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tye n ASN 149 N -1.71 0.30 -4.75 1.61 0.23 -1.26 -4.83 115.26 104.85 1tye n ASN 149 Ca 0.07 -2.02 -0.40 0.00 -0.53 0.00 0.00 54.58 51.71 1tye n ASN 149 Cb 0.59 -0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 38.00 1tye n ASN 149 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1tye s THR 150 N -0.04 4.30 0.42 5.53 2.01 -1.26 -5.02 115.64 121.58 1tye s THR 150 Ca 0.10 1.93 -0.19 0.00 0.31 0.00 0.00 61.69 63.84 1tye s THR 150 Cb 0.11 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1tye s THR 150 CO -0.05 0.46 0.90 -0.76 -0.69 0.00 0.00 174.62 174.49 1tye s LEU 151 N -0.86 3.92 0.20 4.42 1.43 -1.26 -4.42 118.68 122.10 1tye s LEU 151 Ca 0.40 1.56 -0.24 0.00 -1.03 0.00 0.00 54.13 54.82 1tye s LEU 151 Cb -0.24 -4.41 0.10 0.00 0.03 0.00 0.00 46.19 41.67 1tye s LEU 151 CO 0.29 -0.36 1.55 -1.28 0.23 0.00 0.00 176.35 176.78 1tye h SER 152 N 1.81 -1.73 -1.05 2.29 0.87 -1.14 -1.23 113.55 113.37 1tye h SER 152 Ca -0.48 0.31 0.30 0.00 -1.23 0.00 0.00 61.79 60.69 1tye h SER 152 Cb 1.18 0.83 -0.13 0.00 -0.44 0.00 0.00 62.40 63.84 1tye h SER 152 CO 0.62 -0.27 0.64 -0.09 -0.53 0.00 0.00 176.83 177.20 1tye h ARG 153 N -0.03 0.37 -0.66 2.24 2.43 -1.93 -1.29 114.38 115.51 1tye h ARG 153 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1tye h ARG 153 Cb 0.52 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1tye h ARG 153 CO -0.94 0.24 0.42 0.82 -1.51 0.00 0.00 179.97 179.00 1tye h ILE 154 N 0.38 1.18 -0.44 1.20 1.08 -1.61 -2.59 117.51 116.70 1tye h ILE 154 Ca 0.69 -0.37 -0.06 0.00 -0.39 0.00 0.00 64.86 64.73 1tye h ILE 154 Cb 1.63 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1tye h ILE 154 CO -0.47 0.18 0.04 1.88 -0.69 0.00 0.00 178.15 179.08 1tye h TYR 155 N 0.89 0.73 -0.60 1.37 0.05 -1.32 -0.10 116.97 118.00 1tye h TYR 155 Ca 0.24 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1tye h TYR 155 Cb -0.06 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 1tye h TYR 155 CO -0.02 0.67 0.19 0.28 -1.05 0.00 0.00 178.16 178.23 1tye h VAL 156 N 0.67 1.24 -0.04 -2.88 2.07 -1.36 0.97 116.25 116.91 1tye h VAL 156 Ca 0.14 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.68 1tye h VAL 156 Cb 0.36 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1tye h VAL 156 CO 0.01 0.31 -0.74 -0.33 0.02 0.00 0.00 177.57 176.84 1tye h GLU 157 N 0.84 0.26 0.00 1.57 5.08 -1.14 -2.95 114.58 118.25 1tye h GLU 157 Ca 0.19 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1tye h GLU 157 Cb 0.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1tye h GLU 157 CO -0.01 0.89 0.00 -0.91 -1.00 0.00 0.00 179.01 177.98 1tye h ASN 158 N 0.17 0.00 -2.59 1.42 -0.26 -0.84 -3.46 115.58 110.02 1tye h ASN 158 Ca -0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.57 1tye h ASN 158 Cb 1.31 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 38.61 1tye h ASN 158 CO 0.12 0.00 -0.24 -0.67 -1.06 0.00 0.00 177.43 175.57 1tye n ASP 159 N -2.73 -3.52 -3.32 5.81 2.03 -0.42 -3.70 116.55 110.71 1tye n ASP 159 Ca 0.02 -0.18 -0.17 0.00 0.52 0.00 0.00 54.79 54.98 1tye n ASP 159 Cb 0.31 -2.15 0.08 0.00 -0.72 0.00 0.00 41.12 38.64 1tye n ASP 159 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1tye n PHE 160 N -3.47 -2.21 -3.04 -0.67 3.01 0.32 -5.01 117.46 106.40 1tye n PHE 160 Ca -0.01 0.90 -0.39 0.00 1.01 0.00 0.00 57.45 58.96 1tye n PHE 160 Cb 0.53 -4.89 -0.06 0.00 -0.01 0.00 0.00 39.48 35.05 1tye n PHE 160 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1tye s SER 161 N -4.07 7.23 -1.39 4.37 0.01 -1.24 -4.01 113.70 114.60 1tye s SER 161 Ca 0.12 1.47 -0.07 0.00 1.31 0.00 0.00 55.95 58.77 1tye s SER 161 Cb -0.05 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1tye s SER 161 CO 0.69 0.12 0.94 0.79 0.41 0.00 0.00 173.24 176.19 1tye n TRP 162 N 2.26 -2.29 -2.84 2.43 8.01 -1.26 -4.91 117.44 118.83 1tye n TRP 162 Ca -0.05 0.91 -0.43 0.00 -1.31 0.00 0.00 57.50 56.62 1tye n TRP 162 Cb 0.50 -4.44 -0.03 0.00 -2.01 0.00 0.00 31.31 25.32 1tye n TRP 162 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1tye s ASP 163 N -3.76 6.42 -0.07 -0.99 -1.08 -1.26 -4.84 116.67 111.09 1tye s ASP 163 Ca 0.37 -1.50 0.15 0.00 -0.52 0.00 0.00 52.55 51.05 1tye s ASP 163 Cb -0.18 -2.43 0.57 0.00 -1.46 0.00 0.00 42.92 39.42 1tye s ASP 163 CO 0.79 -1.29 1.45 0.29 0.52 0.00 0.00 175.17 176.93 1tye n LYS 164 N 7.37 3.04 -0.13 4.34 5.02 -1.26 -1.87 118.16 134.67 1tye n LYS 164 Ca 0.13 -2.24 0.09 0.00 -2.02 0.00 0.00 58.31 54.27 1tye n LYS 164 Cb 0.48 -1.71 0.42 0.00 -0.02 0.00 0.00 35.03 34.19 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 3.29 0.58 -0.29 1.97 3.08 -1.88 -2.94 114.38 118.18 1tye h ARG 165 Ca 0.00 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1tye h ARG 165 Cb 1.13 -0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.94 1tye h ARG 165 CO 0.16 0.38 -0.28 0.66 -1.07 0.00 0.00 179.97 179.82 1tye n TYR 166 N -4.48 0.95 -0.19 3.04 4.01 -1.26 -3.25 117.16 115.98 1tye n TYR 166 Ca 0.10 -1.68 -0.06 0.00 -0.16 0.00 0.00 57.90 56.09 1tye n TYR 166 Cb 0.29 -0.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 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 -5.43 -4.49 -1.69 0.00 1.02 -0.64 -0.93 120.64 108.48 1tye n GLU 168 Ca 0.03 0.50 -0.44 0.00 -0.02 0.00 0.00 57.16 57.23 1tye n GLU 168 Cb 0.35 -4.53 -0.04 0.00 -0.02 0.00 0.00 31.44 27.21 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 -3.58 1.92 -0.06 0.62 0.00 -0.80 -1.63 120.51 116.99 1tye n ALA 169 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1tye n ALA 169 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 3.59 0.60 0.37 0.00 0.00 -1.03 -3.25 105.19 105.47 1tye n GLY 170 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 0.96 -4.04 1.61 3.57 -1.08 -3.41 116.94 114.53 1tye h PHE 171 Ca 0.00 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1tye h PHE 171 Cb 0.00 -0.29 -0.18 0.00 2.79 0.00 0.00 35.95 38.27 1tye h PHE 171 CO 0.00 0.21 -0.67 -1.54 -2.23 0.00 0.00 178.31 174.08 1tye s SER 172 N -5.44 0.32 0.09 0.41 1.04 -1.24 -4.79 113.70 104.09 1tye s SER 172 Ca -0.11 -0.68 -0.17 0.00 0.48 0.00 0.00 55.95 55.48 1tye s SER 172 Cb 0.25 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1tye s SER 172 CO 0.80 -0.43 0.40 -0.94 0.98 0.00 0.00 173.24 174.04 1tye s SER 173 N -2.06 -0.24 -0.04 7.02 1.04 -1.26 -1.02 113.70 117.14 1tye s SER 173 Ca -0.06 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 1tye s SER 173 Cb -0.02 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1tye s SER 173 CO -0.05 -0.78 0.65 -0.69 0.98 0.00 0.00 173.24 173.36 1tye s VAL 174 N -3.31 0.00 -0.02 5.02 1.01 -0.21 -4.92 120.40 117.97 1tye s VAL 174 Ca -0.00 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1tye s VAL 174 Cb 0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1tye s VAL 174 CO -0.08 -0.02 -0.22 -0.69 0.00 0.00 0.00 175.10 174.09 1tye s VAL 175 N -1.25 1.72 0.77 2.92 1.01 -1.26 0.89 120.40 125.19 1tye s VAL 175 Ca -0.11 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1tye s VAL 175 Cb -0.00 -1.43 0.09 0.00 0.00 0.00 0.00 36.38 35.04 1tye s VAL 175 CO 0.09 0.49 1.09 0.42 0.00 0.00 0.00 175.10 177.19 1tye s THR 176 N -0.45 2.17 0.37 3.92 -4.23 -0.21 -4.89 115.64 112.31 1tye s THR 176 Ca 0.07 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1tye s THR 176 Cb -0.09 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 71.02 1tye s THR 176 CO -0.00 0.00 1.98 1.56 -0.54 0.00 0.00 174.62 177.61 1tye h GLN 177 N -0.84 0.61 0.00 3.99 1.08 -2.01 -0.65 115.11 117.29 1tye h GLN 177 Ca -0.44 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1tye h GLN 177 Cb 1.30 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1tye h GLN 177 CO 0.56 0.48 0.00 0.00 -0.95 0.00 0.00 178.83 178.92 1tye n ALA 178 N -2.47 2.02 -0.94 3.87 0.00 -1.26 -4.88 120.51 116.84 1tye n ALA 178 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1tye n ALA 178 Cb 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.58 1.18 3.67 0.00 0.00 -0.25 -4.95 105.19 105.42 1tye n GLY 179 Ca 0.07 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.25 4.11 -0.18 1.61 2.02 -1.25 -0.83 118.70 121.93 1tye s GLU 180 Ca 0.00 -0.09 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 1tye s GLU 180 Cb 0.00 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.68 1tye s GLU 180 CO 0.00 0.03 0.76 -1.17 0.02 0.00 0.00 175.26 174.89 1tye s LEU 181 N 1.14 4.16 -0.20 1.80 2.96 0.41 -1.04 118.68 127.91 1tye s LEU 181 Ca 0.12 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 1tye s LEU 181 Cb -0.14 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.45 1tye s LEU 181 CO 0.06 -0.36 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.92 1tye s VAL 182 N 2.10 2.73 -0.11 1.68 1.01 0.26 -1.75 120.40 126.32 1tye s VAL 182 Ca 0.34 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1tye s VAL 182 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1tye s VAL 182 CO 0.11 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 1tye s LEU 183 N 1.37 3.17 -0.15 3.92 1.02 0.91 -1.05 118.68 127.87 1tye s LEU 183 Ca 0.05 -0.09 -0.15 0.00 0.02 0.00 0.00 54.13 53.96 1tye s LEU 183 Cb -0.14 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.31 1tye s LEU 183 CO -0.08 0.27 0.34 -0.83 0.02 0.00 0.00 176.35 176.07 1tye s GLY 184 N -0.25 2.26 -0.54 -3.19 0.00 -0.18 -1.48 107.32 103.94 1tye s GLY 184 Ca 0.04 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.42 1tye s GLY 184 CO 0.02 0.52 0.40 0.00 0.00 0.00 0.00 173.10 174.04 1tye s ALA 185 N 0.49 2.47 0.57 3.20 0.00 0.10 -2.46 121.76 126.14 1tye s ALA 185 Ca 0.19 -3.05 0.29 0.00 0.00 0.00 0.00 51.96 49.39 1tye s ALA 185 Cb -0.14 -1.85 1.47 0.00 0.00 0.00 0.00 23.12 22.60 1tye s ALA 185 CO 0.06 -2.03 1.91 -1.00 0.00 0.00 0.00 175.76 174.70 1tye h PRO 186 N 5.60 0.00 0.00 0.00 0.13 -1.69 0.34 132.00 136.38 1tye h PRO 186 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 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 0.52 0.00 -0.10 0.41 -0.23 0.00 0.00 178.00 178.61 1tye n GLY 187 N -1.56 -1.46 3.43 1.56 0.00 -0.11 -2.59 105.19 104.46 1tye n GLY 187 Ca 0.10 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 1.49 -1.70 4.01 -0.02 0.00 0.59 -1.09 105.19 108.47 1tye n GLY 188 Ca 0.07 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.07 -1.50 -3.46 1.61 4.01 -0.78 -0.10 117.16 115.88 1tye n TYR 189 Ca 0.11 0.25 -0.19 0.00 -0.16 0.00 0.00 57.90 57.91 1tye n TYR 189 Cb 0.41 -2.99 0.06 0.00 -0.31 0.00 0.00 39.34 36.52 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 -4.78 -2.19 -1.08 -0.72 4.19 -1.10 -3.27 117.16 108.21 1tye n TYR 190 Ca -0.14 0.81 -0.03 0.00 3.31 0.00 0.00 57.90 61.85 1tye n TYR 190 Cb 0.59 -4.31 -0.01 0.00 0.49 0.00 0.00 39.34 36.10 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 -3.82 0.00 0.10 2.98 3.72 -0.25 -4.66 117.46 115.53 1tye n PHE 191 Ca -0.18 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.08 1tye n PHE 191 Cb 0.64 -1.14 -0.12 0.00 -0.94 0.00 0.00 39.48 37.91 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 0.39 0.00 4.37 4.07 -0.65 -3.05 115.31 120.43 1tye h LEU 192 Ca -0.05 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1tye h LEU 192 Cb 0.48 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1tye h LEU 192 CO 0.08 1.30 0.00 0.61 -1.08 0.00 0.00 178.44 179.35 1tye n GLY 193 N 1.44 0.88 3.43 0.83 0.00 0.86 -1.59 105.19 111.05 1tye n GLY 193 Ca -0.07 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.71 0.87 -0.07 0.99 0.05 0.89 -4.68 118.68 116.02 1tye s LEU 194 Ca 0.00 -1.30 0.03 0.00 0.05 0.00 0.00 54.13 52.91 1tye s LEU 194 Cb 0.00 1.22 0.01 0.00 -2.05 0.00 0.00 46.19 45.37 1tye s LEU 194 CO 0.00 -1.11 -0.17 -0.22 -0.55 0.00 0.00 176.35 174.29 1tye s LEU 195 N -3.16 1.85 -0.08 1.48 2.96 -1.26 0.01 118.68 120.48 1tye s LEU 195 Ca 0.31 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1tye s LEU 195 Cb 0.02 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.65 1tye s LEU 195 CO 0.15 0.10 -0.22 0.00 -1.32 0.00 0.00 176.35 175.06 1tye s ALA 196 N 0.42 2.01 0.02 5.97 0.00 -0.55 -1.20 121.76 128.43 1tye s ALA 196 Ca -0.14 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1tye s ALA 196 Cb -0.16 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1tye s ALA 196 CO 0.05 0.31 -0.07 1.14 0.00 0.00 0.00 175.76 177.19 1tye s GLN 197 N 0.18 0.53 -0.16 0.00 1.03 -0.04 -0.07 119.66 121.13 1tye s GLN 197 Ca -0.12 -0.50 -0.29 0.00 0.04 0.00 0.00 55.36 54.49 1tye s GLN 197 Cb -0.16 -0.41 0.09 0.00 0.03 0.00 0.00 33.01 32.56 1tye s GLN 197 CO 0.06 0.10 0.82 0.00 -2.54 0.00 0.00 175.29 173.73 1tye s ALA 198 N -0.77 -1.84 0.21 2.60 0.00 -0.71 -0.34 121.76 120.91 1tye s ALA 198 Ca -0.04 1.63 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 1tye s ALA 198 Cb -0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.31 1tye s ALA 198 CO 0.00 -0.33 1.43 -2.14 0.00 0.00 0.00 175.76 174.72 1tye s PRO 199 N -0.60 4.29 0.31 0.00 0.02 -1.26 -0.44 135.00 137.31 1tye s PRO 199 Ca -0.04 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.25 1tye s PRO 199 Cb -0.02 -3.15 0.62 0.00 0.02 0.00 0.00 34.50 31.97 1tye s PRO 199 CO 0.03 -0.42 1.87 0.28 -0.33 0.00 0.00 177.00 178.44 1tye h VAL 200 N 3.74 0.95 -0.69 3.83 2.07 -1.33 -0.49 116.25 124.32 1tye h VAL 200 Ca -0.45 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1tye h VAL 200 Cb 1.21 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1tye h VAL 200 CO 0.81 0.17 0.17 0.00 0.02 0.00 0.00 177.57 178.74 1tye h ALA 201 N 1.55 1.00 0.00 1.67 0.00 -1.91 -2.11 119.26 119.45 1tye h ALA 201 Ca 0.44 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1tye h ALA 201 Cb 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1tye h ALA 201 CO -0.21 0.65 -0.44 -0.44 0.00 0.00 0.00 179.25 178.82 1tye h ASP 202 N 1.04 0.00 -0.26 0.00 3.32 -1.63 -1.69 116.42 117.20 1tye h ASP 202 Ca 0.22 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1tye h ASP 202 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1tye h ASP 202 CO 0.00 0.44 -0.17 0.40 -1.72 0.00 0.00 179.24 178.19 1tye h ILE 203 N 0.00 1.30 -0.06 0.35 2.04 -0.71 -2.43 117.51 118.00 1tye h ILE 203 Ca -0.00 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1tye h ILE 203 Cb 1.08 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1tye h ILE 203 CO 0.06 0.40 0.00 -0.26 0.00 0.00 0.00 178.15 178.35 1tye h PHE 204 N 0.31 0.12 -0.17 1.37 0.04 -1.28 -2.69 116.94 114.63 1tye h PHE 204 Ca 0.05 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1tye h PHE 204 Cb 0.70 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 1tye h PHE 204 CO 0.07 0.37 -0.22 0.66 -0.60 0.00 0.00 178.31 178.59 1tye h SER 205 N -0.17 0.30 0.81 2.17 4.64 -1.36 -2.94 113.55 117.00 1tye h SER 205 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1tye h SER 205 Cb 0.32 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1tye h SER 205 CO 0.00 0.53 -0.36 -1.54 -0.87 0.00 0.00 176.83 174.59 1tye n SER 206 N -4.17 0.46 -4.72 4.97 3.41 -0.92 -4.88 113.62 107.77 1tye n SER 206 Ca -0.01 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 1tye n SER 206 Cb 0.35 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1tye n SER 206 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tye s TYR 207 N -3.05 3.49 -0.14 7.33 5.04 -1.02 -5.02 117.35 123.98 1tye s TYR 207 Ca 0.10 1.42 -0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1tye s TYR 207 Cb 0.16 -3.36 0.03 0.00 0.35 0.00 0.00 41.96 39.14 1tye s TYR 207 CO 0.65 -1.00 -0.09 1.03 -1.34 0.00 0.00 175.55 174.80 1tye s ARG 208 N 0.57 1.73 0.33 4.97 1.81 -1.26 -5.03 118.95 122.08 1tye s ARG 208 Ca 0.55 -0.41 -0.29 0.00 -1.72 0.00 0.00 55.73 53.86 1tye s ARG 208 Cb -0.29 -1.85 -0.12 0.00 -0.45 0.00 0.00 34.95 32.25 1tye s ARG 208 CO 0.31 -0.30 1.51 -2.30 -0.68 0.00 0.00 175.30 173.84 1tye n PRO 209 N 4.87 2.60 0.00 3.54 -0.02 -1.26 -2.41 135.00 142.33 1tye n PRO 209 Ca -0.14 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1tye n PRO 209 Cb 0.49 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1tye n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tye n GLY 210 N 1.25 3.04 3.69 -1.23 0.00 -1.26 -5.02 105.19 105.66 1tye n GLY 210 Ca 0.05 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.85 4.82 -0.12 -0.61 -1.09 -1.01 -4.92 121.20 116.42 1tye s ILE 211 Ca 0.00 2.00 0.19 0.00 -2.23 0.00 0.00 60.65 60.61 1tye s ILE 211 Cb 0.00 -4.30 -0.23 0.00 -1.58 0.00 0.00 42.46 36.36 1tye s ILE 211 CO 0.00 0.06 0.49 0.18 -1.23 0.00 0.00 174.94 174.44 1tye n LEU 212 N 4.66 0.34 -4.02 2.97 4.32 -1.26 -4.84 117.00 119.18 1tye n LEU 212 Ca 0.07 0.15 -0.31 0.00 -0.02 0.00 0.00 56.01 55.90 1tye n LEU 212 Cb 0.49 0.19 -0.15 0.00 -1.62 0.00 0.00 43.42 42.33 1tye n LEU 212 CO 0.52 0.21 -0.45 -0.22 -1.22 0.00 0.00 177.39 176.22 1tye s LEU 213 N -5.32 2.86 0.16 2.23 2.96 -1.26 -5.03 118.68 115.28 1tye s LEU 213 Ca -0.07 -1.18 -0.07 0.00 -0.22 0.00 0.00 54.13 52.60 1tye s LEU 213 Cb 0.09 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 1tye s LEU 213 CO 0.84 -0.18 0.22 -1.66 -1.32 0.00 0.00 176.35 174.25 1tye s TRP 214 N 1.26 0.56 -0.19 5.38 -2.14 -1.26 -5.15 118.94 117.39 1tye s TRP 214 Ca -0.06 -0.92 0.01 0.00 2.66 0.00 0.00 56.10 57.80 1tye s TRP 214 Cb -0.18 -0.19 0.03 0.00 -3.10 0.00 0.00 33.47 30.03 1tye s TRP 214 CO -0.06 -0.67 -0.16 -1.58 -2.66 0.00 0.00 176.95 171.82 1tye s HIS 215 N -4.00 2.72 -0.27 1.66 5.65 -1.26 -4.98 115.29 114.81 1tye s HIS 215 Ca 0.20 -1.70 -0.29 0.00 0.25 0.00 0.00 55.06 53.52 1tye s HIS 215 Cb 0.04 -1.83 0.00 0.00 -1.18 0.00 0.00 32.58 29.62 1tye s HIS 215 CO 0.01 -0.79 1.20 0.08 -0.65 0.00 0.00 174.74 174.60 1tye s VAL 216 N 1.30 4.33 0.24 0.89 1.01 -1.26 -4.93 120.40 121.98 1tye s VAL 216 Ca 0.01 1.54 -0.09 0.00 0.00 0.00 0.00 61.98 63.44 1tye s VAL 216 Cb -0.15 -4.21 0.29 0.00 0.00 0.00 0.00 36.38 32.31 1tye s VAL 216 CO -0.10 -0.38 1.62 0.77 0.00 0.00 0.00 175.10 177.01 1tye h SER 217 N 8.54 -0.51 -0.24 3.32 4.64 -1.98 -1.77 113.55 125.55 1tye h SER 217 Ca -0.24 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1tye h SER 217 Cb 1.08 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1tye h SER 217 CO 1.01 -0.21 0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 1tye n SER 218 N -5.42 1.54 -4.72 4.97 3.41 -1.26 -4.93 113.62 107.22 1tye n SER 218 Ca 0.12 -2.05 -0.32 0.00 -0.26 0.00 0.00 58.87 56.35 1tye n SER 218 Cb 0.43 -0.23 0.11 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.65 1.83 -0.16 4.33 0.74 -0.67 -4.68 119.66 119.40 1tye s GLN 219 Ca 0.17 1.55 -0.07 0.00 0.05 0.00 0.00 55.36 57.07 1tye s GLN 219 Cb 0.10 -1.82 0.07 0.00 1.10 0.00 0.00 33.01 32.46 1tye s GLN 219 CO 0.10 -2.03 0.35 0.45 -0.55 0.00 0.00 175.29 173.62 1tye s SER 220 N -2.54 -0.13 0.06 6.67 0.15 0.54 -4.99 113.70 113.47 1tye s SER 220 Ca 0.69 0.81 0.07 0.00 0.70 0.00 0.00 55.95 58.22 1tye s SER 220 Cb -0.24 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1tye s SER 220 CO 0.51 -0.22 -0.16 -0.76 1.20 0.00 0.00 173.24 173.81 1tye s LEU 221 N 2.19 2.72 0.00 3.45 1.02 -1.26 -0.86 118.68 125.94 1tye s LEU 221 Ca -0.03 -0.42 -0.17 0.00 0.02 0.00 0.00 54.13 53.53 1tye s LEU 221 Cb -0.11 -1.58 0.25 0.00 0.02 0.00 0.00 46.19 44.77 1tye s LEU 221 CO -0.11 0.24 0.97 -1.54 0.02 0.00 0.00 176.35 175.93 1tye n SER 222 N 1.33 -1.58 -4.90 2.29 3.41 -0.34 -5.00 113.62 108.84 1tye n SER 222 Ca -0.16 -1.13 -0.20 0.00 -0.26 0.00 0.00 58.87 57.12 1tye n SER 222 Cb 0.52 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.83 2.76 0.46 7.33 0.08 -1.26 -4.87 117.98 119.64 1tye s PHE 223 Ca 0.61 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.24 1tye s PHE 223 Cb -0.05 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1tye s PHE 223 CO 0.46 -0.14 0.66 0.34 -0.10 0.00 0.00 175.22 176.45 1tye s ASP 224 N -4.15 5.66 -0.04 1.36 -1.08 -1.26 -4.94 116.67 112.22 1tye s ASP 224 Ca 0.48 0.05 -0.11 0.00 -0.52 0.00 0.00 52.55 52.45 1tye s ASP 224 Cb -0.05 -1.19 0.02 0.00 -1.46 0.00 0.00 42.92 40.24 1tye s ASP 224 CO 0.29 -0.81 0.25 -0.55 0.52 0.00 0.00 175.17 174.87 1tye s SER 225 N -4.29 -0.16 0.12 -0.34 0.15 -1.26 -5.02 113.70 102.90 1tye s SER 225 Ca 0.51 0.15 0.16 0.00 0.70 0.00 0.00 55.95 57.48 1tye s SER 225 Cb -0.10 0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 64.49 1tye s SER 225 CO 0.36 -0.32 0.99 0.28 1.20 0.00 0.00 173.24 175.76 1tye h SER 226 N 4.56 0.00 -1.50 5.45 0.02 -2.03 -3.47 113.55 116.58 1tye h SER 226 Ca -0.29 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.01 1tye h SER 226 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1tye h SER 226 CO 0.38 0.53 1.32 -3.20 -1.14 0.00 0.00 176.83 174.73 1tye n ASN 227 N -2.96 2.66 0.18 3.07 4.05 -1.26 -4.87 115.26 116.13 1tye n ASN 227 Ca -0.06 0.56 0.18 0.00 0.45 0.00 0.00 54.58 55.70 1tye n ASN 227 Cb 0.80 -1.33 0.81 0.00 1.23 0.00 0.00 39.78 41.29 1tye n ASN 227 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1tye h PRO 228 N 11.74 0.00 -0.52 1.20 0.11 -1.98 -1.57 132.00 140.98 1tye h PRO 228 Ca -0.36 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.89 1tye h PRO 228 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1tye h PRO 228 CO 0.99 0.00 0.37 0.93 -0.21 0.00 0.00 178.00 180.08 1tye h GLU 229 N 0.00 0.06 0.00 1.05 5.08 -1.98 -1.08 114.58 117.71 1tye h GLU 229 Ca 0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1tye h GLU 229 Cb 0.60 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1tye h GLU 229 CO -0.00 0.04 -0.44 0.66 -1.00 0.00 0.00 179.01 178.26 1tye n TYR 230 N -4.40 0.49 -1.75 4.33 4.02 -0.59 0.89 117.16 120.14 1tye n TYR 230 Ca 0.09 0.14 -0.42 0.00 -0.01 0.00 0.00 57.90 57.70 1tye n TYR 230 Cb 0.56 -0.63 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 1tye n TYR 230 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1tye s PHE 231 N -3.11 2.39 -0.42 -0.72 0.40 -0.41 -1.31 117.98 114.80 1tye s PHE 231 Ca 0.08 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1tye s PHE 231 Cb 0.14 -4.13 0.00 0.00 0.51 0.00 0.00 43.02 39.54 1tye s PHE 231 CO 0.68 -4.55 0.00 -0.25 0.70 0.00 0.00 175.22 171.80 1tye n ASP 232 N 5.20 -4.89 0.28 1.36 8.00 -1.16 -4.72 116.55 120.62 1tye n ASP 232 Ca 0.17 0.10 0.15 0.00 0.71 0.00 0.00 54.79 55.91 1tye n ASP 232 Cb 0.38 -2.74 0.80 0.00 -0.02 0.00 0.00 41.12 39.53 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 0.00 0.00 -5.74 0.44 0.00 -1.19 -3.44 103.07 93.14 1tye h GLY 233 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.84 1tye h GLY 233 CO 0.12 0.00 -0.68 -1.72 0.00 0.00 0.00 176.54 174.26 1tye n TYR 234 N -3.50 -2.71 -1.67 5.60 4.01 -1.18 -2.52 117.16 115.19 1tye n TYR 234 Ca -0.02 0.94 -0.39 0.00 -0.16 0.00 0.00 57.90 58.27 1tye n TYR 234 Cb 0.22 -4.84 -0.03 0.00 -0.31 0.00 0.00 39.34 34.38 1tye n TYR 234 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1tye s TRP 235 N -3.30 1.23 0.00 -0.72 -0.00 -0.62 -1.56 118.94 113.97 1tye s TRP 235 Ca 0.56 1.05 0.00 0.00 -0.00 0.00 0.00 56.10 57.71 1tye s TRP 235 Cb -0.25 -3.80 0.00 0.00 -0.00 0.00 0.00 33.47 29.41 1tye s TRP 235 CO 0.70 -3.09 0.00 0.41 -0.00 0.00 0.00 176.95 174.97 1tye n GLY 236 N 5.84 0.22 0.26 5.86 0.00 -0.72 -2.33 105.19 114.31 1tye n GLY 236 Ca 0.31 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.73 1.61 5.03 -0.88 -3.36 116.97 116.64 1tye h TYR 237 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 1tye h TYR 237 Cb 0.00 0.00 -0.21 0.00 1.55 0.00 0.00 36.73 38.07 1tye h TYR 237 CO 0.00 0.06 -0.16 -1.54 -1.32 0.00 0.00 178.16 175.20 1tye s SER 238 N -6.60 -0.36 0.10 -2.11 1.04 -1.24 -4.65 113.70 99.88 1tye s SER 238 Ca -0.04 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.73 1tye s SER 238 Cb 0.15 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1tye s SER 238 CO 0.62 -0.39 0.24 0.68 0.98 0.00 0.00 173.24 175.37 1tye s VAL 239 N -0.82 0.12 0.25 5.02 -7.23 -1.26 -0.04 120.40 116.45 1tye s VAL 239 Ca -0.09 -1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.80 1tye s VAL 239 Cb -0.04 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.61 1tye s VAL 239 CO 0.04 -0.57 0.69 0.00 -0.31 0.00 0.00 175.10 174.95 1tye s ALA 240 N -3.85 -1.28 0.17 1.32 0.00 0.17 -4.83 121.76 113.46 1tye s ALA 240 Ca 0.05 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1tye s ALA 240 Cb 0.04 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 1tye s ALA 240 CO -0.11 -0.98 -0.13 0.14 0.00 0.00 0.00 175.76 174.69 1tye s VAL 241 N -3.89 1.47 0.05 0.00 -7.23 -1.26 -0.68 120.40 108.86 1tye s VAL 241 Ca 0.09 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 1tye s VAL 241 Cb -0.05 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 35.01 1tye s VAL 241 CO 0.03 -0.65 0.63 0.61 -0.31 0.00 0.00 175.10 175.41 1tye n GLY 242 N -0.25 0.67 3.37 2.32 0.00 -0.78 -4.80 105.19 105.74 1tye n GLY 242 Ca -0.09 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.02 3.24 -0.00 1.61 2.56 -1.26 -1.97 118.70 120.85 1tye s GLU 243 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 54.97 54.36 1tye s GLU 243 Cb -0.01 -3.38 0.01 0.00 2.00 0.00 0.00 34.13 32.75 1tye s GLU 243 CO 0.01 -0.38 0.63 1.19 -0.56 0.00 0.00 175.26 176.15 1tye n PHE 244 N 4.89 0.00 -1.27 5.30 3.72 -1.26 -4.27 117.46 124.57 1tye n PHE 244 Ca -0.15 -0.10 0.04 0.00 -0.05 0.00 0.00 57.45 57.19 1tye n PHE 244 Cb 0.49 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.11 1.19 -3.66 4.37 5.75 -1.26 -5.01 116.55 117.82 1tye n ASP 245 Ca 0.00 -2.33 -0.25 0.00 -0.01 0.00 0.00 54.79 52.20 1tye n ASP 245 Cb 0.48 -0.25 0.04 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.64 -0.70 3.15 6.12 0.00 -1.26 -4.98 105.19 106.87 1tye n GLY 246 Ca 0.06 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.85 -1.58 0.57 1.61 -1.08 -1.26 -5.03 116.67 106.05 1tye s ASP 247 Ca 0.27 0.22 0.32 0.00 -0.52 0.00 0.00 52.55 52.84 1tye s ASP 247 Cb -0.08 2.02 1.69 0.00 -1.46 0.00 0.00 42.92 45.08 1tye s ASP 247 CO 0.83 -0.29 2.14 -0.07 0.52 0.00 0.00 175.17 178.31 1tye h LEU 248 N 7.97 0.00 -0.32 -1.34 3.38 -2.02 -1.96 115.31 121.03 1tye h LEU 248 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tye h LEU 248 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1tye h LEU 248 CO 0.15 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.33 1tye n ASN 249 N -3.46 0.33 -4.12 -0.43 4.13 -1.26 -4.70 115.26 105.75 1tye n ASN 249 Ca -0.02 0.58 -0.22 0.00 1.68 0.00 0.00 54.58 56.60 1tye n ASN 249 Cb 0.20 -0.65 -0.15 0.00 -1.54 0.00 0.00 39.78 37.64 1tye n ASN 249 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1tye s THR 250 N -3.15 1.12 0.09 3.41 -4.23 -0.74 -5.15 115.64 106.99 1tye s THR 250 Ca 0.06 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1tye s THR 250 Cb 0.10 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 1tye s THR 250 CO 0.35 0.26 0.09 -0.89 -0.54 0.00 0.00 174.62 173.88 1tye s THR 251 N -0.43 4.58 0.05 3.99 2.01 -1.26 -4.77 115.64 119.80 1tye s THR 251 Ca 0.05 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.36 1tye s THR 251 Cb -0.06 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1tye s THR 251 CO -0.00 0.11 -0.24 -1.83 -0.69 0.00 0.00 174.62 171.96 1tye s GLU 252 N -2.46 1.64 -0.07 4.92 1.03 -0.83 -3.28 118.70 119.65 1tye s GLU 252 Ca 0.30 -1.06 -0.08 0.00 0.03 0.00 0.00 54.97 54.15 1tye s GLU 252 Cb -0.12 -1.81 -0.04 0.00 -0.80 0.00 0.00 34.13 31.35 1tye s GLU 252 CO 0.22 0.47 0.21 0.71 -1.33 0.00 0.00 175.26 175.54 1tye s TYR 253 N -0.81 3.62 -0.26 4.83 2.02 0.83 -1.86 117.35 125.71 1tye s TYR 253 Ca 0.10 0.61 0.02 0.00 -0.37 0.00 0.00 57.07 57.43 1tye s TYR 253 Cb -0.10 -2.00 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1tye s TYR 253 CO 0.02 0.69 -0.10 0.08 -1.57 0.00 0.00 175.55 174.68 1tye s VAL 254 N -1.11 2.32 -0.08 0.71 1.01 0.14 0.01 120.40 123.40 1tye s VAL 254 Ca 0.20 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1tye s VAL 254 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1tye s VAL 254 CO 0.09 0.02 -0.20 -0.69 0.00 0.00 0.00 175.10 174.31 1tye s VAL 255 N 1.15 2.44 -0.22 2.92 1.01 -0.63 -0.65 120.40 126.42 1tye s VAL 255 Ca -0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1tye s VAL 255 Cb -0.19 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1tye s VAL 255 CO -0.05 0.56 0.19 -0.83 0.00 0.00 0.00 175.10 174.97 1tye s GLY 256 N -0.00 2.03 -0.66 4.51 0.00 0.95 -1.44 107.32 112.71 1tye s GLY 256 Ca -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 44.72 43.96 1tye s GLY 256 CO 0.05 0.37 0.72 0.00 0.00 0.00 0.00 173.10 174.24 1tye n ALA 257 N 4.02 3.99 0.31 3.20 0.00 0.45 -1.76 120.51 130.72 1tye n ALA 257 Ca -0.14 -4.74 0.08 0.00 0.00 0.00 0.00 53.44 48.64 1tye n ALA 257 Cb 0.52 -0.94 0.39 0.00 0.00 0.00 0.00 19.45 19.42 1tye n ALA 257 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tye h PRO 258 N 4.38 0.00 0.00 0.00 0.13 -1.64 -0.47 132.00 134.40 1tye h PRO 258 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1tye h PRO 258 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1tye h PRO 258 CO 0.83 0.00 -0.12 0.25 -0.23 0.00 0.00 178.00 178.72 1tye n THR 259 N -2.72 1.31 -1.00 1.56 -2.24 -1.05 -3.88 114.28 106.27 1tye n THR 259 Ca -0.00 -1.56 -0.34 0.00 -2.27 0.00 0.00 64.05 59.88 1tye n THR 259 Cb 0.73 0.03 0.12 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.98 0.07 -4.01 4.78 -0.00 -0.24 -1.96 117.44 115.10 1tye n TRP 260 Ca 0.10 0.35 -0.41 0.00 -0.00 0.00 0.00 57.50 57.54 1tye n TRP 260 Cb 0.62 -1.97 0.01 0.00 -0.00 0.00 0.00 31.31 29.98 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 -2.25 -4.30 -3.27 5.87 2.88 0.26 -0.52 113.62 112.29 1tye n SER 261 Ca 0.11 -1.22 -0.07 0.00 -1.33 0.00 0.00 58.87 56.35 1tye n SER 261 Cb 0.51 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 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 -4.41 -2.71 -0.84 0.66 8.01 -1.25 -2.70 117.44 114.19 1tye n TRP 262 Ca -0.17 1.04 -0.02 0.00 -1.31 0.00 0.00 57.50 57.04 1tye n TRP 262 Cb 0.60 -3.75 -0.01 0.00 -2.01 0.00 0.00 31.31 26.14 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 -2.08 0.00 0.17 -0.99 -2.24 -0.83 -4.78 114.28 103.53 1tye n THR 263 Ca -0.09 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1tye n THR 263 Cb 0.56 -0.85 0.26 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.12 3.22 7.12 -0.59 -0.82 115.31 124.12 1tye h LEU 264 Ca -0.04 0.00 0.03 0.00 0.13 0.00 0.00 57.88 57.99 1tye h LEU 264 Cb 0.78 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 1tye h LEU 264 CO 0.07 0.48 -0.19 0.61 -0.13 0.00 0.00 178.44 179.28 1tye n GLY 265 N 0.21 -2.89 3.52 3.75 0.00 -0.27 -3.91 105.19 105.61 1tye n GLY 265 Ca -0.01 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.75 -1.87 -0.02 4.61 0.00 -0.85 -2.87 121.76 117.01 1tye s ALA 266 Ca 0.00 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1tye s ALA 266 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1tye s ALA 266 CO 0.00 -0.63 -0.07 0.08 0.00 0.00 0.00 175.76 175.14 1tye s VAL 267 N -2.79 0.59 0.15 0.00 1.01 -0.65 -0.41 120.40 118.30 1tye s VAL 267 Ca 0.05 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1tye s VAL 267 Cb -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1tye s VAL 267 CO -0.07 0.20 -0.19 -1.61 0.00 0.00 0.00 175.10 173.43 1tye s GLU 268 N 0.23 1.22 -0.20 2.72 2.02 -0.52 -0.83 118.70 123.34 1tye s GLU 268 Ca -0.03 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.61 1tye s GLU 268 Cb -0.08 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1tye s GLU 268 CO 0.00 0.28 -0.10 0.42 0.02 0.00 0.00 175.26 175.88 1tye s ILE 269 N -1.81 2.90 0.21 -1.63 -1.09 -0.60 -1.60 121.20 117.57 1tye s ILE 269 Ca 0.13 -0.66 0.11 0.00 -2.23 0.00 0.00 60.65 58.00 1tye s ILE 269 Cb -0.07 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 1tye s ILE 269 CO 0.06 0.47 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.26 1tye s LEU 270 N 1.36 2.52 0.00 2.97 2.01 0.10 0.30 118.68 127.94 1tye s LEU 270 Ca 0.05 -0.87 -0.06 0.00 0.01 0.00 0.00 54.13 53.26 1tye s LEU 270 Cb -0.14 -1.21 0.17 0.00 0.01 0.00 0.00 46.19 45.02 1tye s LEU 270 CO -0.06 0.10 1.10 -0.90 1.01 0.00 0.00 176.35 177.60 1tye n ASP 271 N 0.07 0.86 0.08 2.29 5.68 -0.58 -0.12 116.55 124.83 1tye n ASP 271 Ca -0.11 -1.87 0.14 0.00 -0.50 0.00 0.00 54.79 52.45 1tye n ASP 271 Cb 0.57 -0.77 0.64 0.00 -1.14 0.00 0.00 41.12 40.42 1tye n ASP 271 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1tye h SER 272 N -1.01 0.07 -0.24 -1.12 4.64 -1.90 -0.31 113.55 113.67 1tye h SER 272 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1tye h SER 272 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1tye h SER 272 CO 0.33 0.04 0.00 -1.22 -0.87 0.00 0.00 176.83 175.11 1tye n TYR 273 N -4.45 0.75 -2.48 4.77 4.01 -1.26 -4.88 117.16 113.62 1tye n TYR 273 Ca 0.05 -0.27 -0.20 0.00 -0.16 0.00 0.00 57.90 57.32 1tye n TYR 273 Cb 0.38 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.27 -1.16 -3.41 -0.72 4.01 -0.13 -4.99 117.16 111.03 1tye n TYR 274 Ca 0.11 0.06 -0.38 0.00 -0.16 0.00 0.00 57.90 57.53 1tye n TYR 274 Cb 0.56 -3.90 -0.07 0.00 -0.31 0.00 0.00 39.34 35.62 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 -5.13 4.23 -0.05 -0.72 -1.52 -1.26 -4.82 119.66 110.40 1tye s GLN 275 Ca 0.04 0.22 -0.34 0.00 -1.95 0.00 0.00 55.36 53.33 1tye s GLN 275 Cb -0.02 -3.49 -0.12 0.00 -0.22 0.00 0.00 33.01 29.16 1tye s GLN 275 CO 0.04 0.07 1.81 0.54 -0.25 0.00 0.00 175.29 177.51 1tye n ARG 276 N 4.09 2.12 -0.13 2.91 1.74 -1.26 -1.53 116.66 124.60 1tye n ARG 276 Ca -0.09 0.77 -0.17 0.00 -0.77 0.00 0.00 57.85 57.59 1tye n ARG 276 Cb 0.51 -2.60 -0.12 0.00 -1.02 0.00 0.00 32.46 29.23 1tye n ARG 276 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1tye n LEU 277 N 5.92 2.75 -3.64 0.55 4.32 0.15 -4.92 117.00 122.13 1tye n LEU 277 Ca 0.22 -0.13 -0.12 0.00 -0.02 0.00 0.00 56.01 55.95 1tye n LEU 277 Cb 0.29 -0.80 -0.06 0.00 -1.62 0.00 0.00 43.42 41.23 1tye n LEU 277 CO 0.71 0.90 0.18 -1.00 -1.22 0.00 0.00 177.39 176.97 1tye s HIS 278 N -2.52 -0.29 -0.14 -1.77 3.76 -1.06 -4.98 115.29 108.29 1tye s HIS 278 Ca -0.33 0.20 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1tye s HIS 278 Cb 0.09 0.26 0.06 0.00 1.11 0.00 0.00 32.58 34.09 1tye s HIS 278 CO 0.61 -0.62 0.11 0.50 -0.85 0.00 0.00 174.74 174.50 1tye s ARG 279 N -2.76 0.05 -0.34 1.40 3.52 -1.26 -1.56 118.95 118.00 1tye s ARG 279 Ca -0.03 0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.55 1tye s ARG 279 Cb -0.00 -1.28 -0.01 0.00 -1.56 0.00 0.00 34.95 32.10 1tye s ARG 279 CO -0.04 -0.55 0.37 -0.51 -0.81 0.00 0.00 175.30 173.75 1tye s LEU 280 N 2.19 4.42 0.50 -0.88 2.01 -0.01 -4.96 118.68 121.95 1tye s LEU 280 Ca 0.04 -0.20 -0.10 0.00 0.01 0.00 0.00 54.13 53.87 1tye s LEU 280 Cb -0.15 -2.35 -0.05 0.00 0.01 0.00 0.00 46.19 43.65 1tye s LEU 280 CO -0.08 -0.34 0.88 -0.13 1.01 0.00 0.00 176.35 177.69 1tye s ARG 281 N 2.04 3.68 0.78 1.70 0.52 -1.26 -1.64 118.95 124.77 1tye s ARG 281 Ca 0.12 0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 55.81 1tye s ARG 281 Cb -0.16 -2.26 0.14 0.00 0.52 0.00 0.00 34.95 33.18 1tye s ARG 281 CO 0.12 -0.27 1.07 0.00 0.02 0.00 0.00 175.30 176.24 1tye s ALA 282 N -2.74 3.30 -0.09 2.13 0.00 -1.14 -4.95 121.76 118.27 1tye s ALA 282 Ca 0.52 -1.54 0.11 0.00 0.00 0.00 0.00 51.96 51.06 1tye s ALA 282 Cb -0.10 -2.24 -0.16 0.00 0.00 0.00 0.00 23.12 20.61 1tye s ALA 282 CO 0.42 -1.68 0.11 -0.85 0.00 0.00 0.00 175.76 173.75 1tye n GLU 283 N -3.07 1.60 -4.11 0.00 0.28 -1.26 -4.98 120.64 109.10 1tye n GLU 283 Ca 0.14 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.16 56.87 1tye n GLU 283 Cb 0.60 -1.30 -0.17 0.00 1.43 0.00 0.00 31.44 32.00 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 -2.45 1.26 0.32 3.44 0.74 -1.26 -5.12 119.66 116.58 1tye s GLN 284 Ca -0.06 -0.20 -0.28 0.00 0.05 0.00 0.00 55.36 54.87 1tye s GLN 284 Cb 0.05 -1.27 -0.13 0.00 1.10 0.00 0.00 33.01 32.76 1tye s GLN 284 CO 0.50 -0.16 1.25 -1.33 -0.55 0.00 0.00 175.29 175.00 1tye n MET 285 N 4.49 1.98 -0.83 1.67 2.81 -1.26 -1.55 117.12 124.43 1tye n MET 285 Ca -0.17 0.70 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1tye n MET 285 Cb 0.51 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 1tye n MET 285 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tye n ALA 286 N 0.45 0.00 1.12 3.04 0.00 -0.31 -4.85 120.51 119.95 1tye n ALA 286 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1tye n ALA 286 Cb 0.35 -0.45 0.59 0.00 0.00 0.00 0.00 19.45 19.94 1tye n ALA 286 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1tye n SER 287 N -0.08 0.00 -3.59 0.00 3.41 -0.59 -4.73 113.62 108.04 1tye n SER 287 Ca 0.00 -0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.29 1tye n SER 287 Cb 0.04 -0.26 0.07 0.00 -0.26 0.00 0.00 64.21 63.80 1tye n SER 287 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1tye n TYR 288 N -1.26 -2.53 -1.99 7.33 4.02 -1.26 -2.24 117.16 119.23 1tye n TYR 288 Ca 0.11 0.97 -0.42 0.00 -0.01 0.00 0.00 57.90 58.55 1tye n TYR 288 Cb 0.18 -4.89 -0.03 0.00 -0.02 0.00 0.00 39.34 34.58 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 -3.36 1.91 0.00 -0.72 2.19 -1.26 -2.15 117.98 114.59 1tye s PHE 289 Ca 0.36 0.26 0.00 0.00 0.33 0.00 0.00 56.93 57.89 1tye s PHE 289 Cb -0.17 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.58 1tye s PHE 289 CO 0.75 -3.74 0.00 0.41 1.83 0.00 0.00 175.22 174.47 1tye n GLY 290 N 4.41 1.10 0.19 13.12 0.00 -0.48 -3.10 105.19 120.44 1tye n GLY 290 Ca 0.19 0.00 0.03 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 0.00 -3.89 1.61 -0.00 -1.31 -3.38 115.15 108.17 1tye h HIS 291 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 60.06 1tye h HIS 291 Cb 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.21 1tye h HIS 291 CO 0.00 0.35 -0.74 -1.12 -0.00 0.00 0.00 177.93 176.42 1tye s SER 292 N -6.91 1.18 -0.12 3.26 0.01 -1.25 -4.61 113.70 105.26 1tye s SER 292 Ca -0.03 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.38 1tye s SER 292 Cb 0.14 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.44 1tye s SER 292 CO 0.72 -0.22 0.46 0.68 0.41 0.00 0.00 173.24 175.29 1tye s VAL 293 N -1.81 0.01 -0.02 3.43 -7.23 -1.26 -2.13 120.40 111.40 1tye s VAL 293 Ca -0.03 -0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 59.95 1tye s VAL 293 Cb -0.07 -0.70 0.01 0.00 0.56 0.00 0.00 36.38 36.18 1tye s VAL 293 CO 0.00 -0.07 0.16 0.00 -0.31 0.00 0.00 175.10 174.88 1tye s ALA 294 N -0.35 -0.38 -0.14 1.32 0.00 -0.27 -4.85 121.76 117.09 1tye s ALA 294 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1tye s ALA 294 Cb -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1tye s ALA 294 CO 0.03 -0.17 -0.14 0.08 0.00 0.00 0.00 175.76 175.56 1tye s VAL 295 N -0.96 1.52 -0.26 0.00 1.01 -1.26 -1.24 120.40 119.21 1tye s VAL 295 Ca -0.10 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1tye s VAL 295 Cb -0.06 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 35.00 1tye s VAL 295 CO 0.01 0.45 0.94 0.28 0.00 0.00 0.00 175.10 176.79 1tye s THR 296 N 1.49 0.00 -0.71 3.92 -1.32 -0.75 -4.94 115.64 113.33 1tye s THR 296 Ca 0.05 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.27 1tye s THR 296 Cb -0.13 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1tye s THR 296 CO -0.10 0.00 1.17 -0.62 -2.21 0.00 0.00 174.62 172.86 1tye s ASP 297 N 0.14 6.17 0.00 8.08 2.15 -1.26 -1.95 116.67 130.00 1tye s ASP 297 Ca 0.02 -0.61 0.26 0.00 0.43 0.00 0.00 52.55 52.64 1tye s ASP 297 Cb -0.05 -2.51 0.63 0.00 -0.30 0.00 0.00 42.92 40.69 1tye s ASP 297 CO -0.03 -1.70 1.50 1.33 -0.17 0.00 0.00 175.17 176.09 1tye n VAL 298 N 6.24 0.00 -1.58 1.11 0.24 -1.26 -3.78 118.33 119.30 1tye n VAL 298 Ca 0.01 -0.02 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 1tye n VAL 298 Cb 0.48 0.18 0.18 0.00 -1.47 0.00 0.00 33.84 33.20 1tye n VAL 298 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1tye n ASN 299 N -1.39 1.74 -0.73 -1.34 6.94 -1.26 -3.05 115.26 116.16 1tye n ASN 299 Ca 0.07 -3.57 -0.05 0.00 -0.02 0.00 0.00 54.58 51.01 1tye n ASN 299 Cb 0.33 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 37.25 1tye n ASN 299 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tye n GLY 300 N -1.03 0.50 0.00 4.83 0.00 -1.26 -4.78 105.19 103.45 1tye n GLY 300 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 0.53 0.00 0.00 1.61 5.75 -1.26 -4.88 116.55 118.29 1tye n ASP 301 Ca -0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1tye n ASP 301 Cb 0.26 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1tye n ASP 301 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tye n GLY 302 N 1.14 0.39 2.83 6.12 0.00 -1.26 -5.04 105.19 109.37 1tye n GLY 302 Ca 0.14 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.37 0.47 0.28 1.61 0.52 -1.26 -5.13 118.95 113.08 1tye s ARG 303 Ca 0.00 0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1tye s ARG 303 Cb 0.00 -0.62 -0.13 0.00 0.52 0.00 0.00 34.95 34.71 1tye s ARG 303 CO 0.00 -0.14 1.31 0.72 0.02 0.00 0.00 175.30 177.22 1tye n HIS 304 N 4.21 2.10 -4.88 -0.53 8.25 -1.26 -4.51 115.22 118.60 1tye n HIS 304 Ca -0.24 0.51 -0.31 0.00 -0.26 0.00 0.00 57.72 57.42 1tye n HIS 304 Cb 0.50 -2.42 -0.14 0.00 1.12 0.00 0.00 29.99 29.06 1tye n HIS 304 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1tye s ASP 305 N -0.04 3.70 -0.04 0.41 1.01 -0.82 -3.67 116.67 117.22 1tye s ASP 305 Ca 0.62 -0.36 -0.10 0.00 0.71 0.00 0.00 52.55 53.42 1tye s ASP 305 Cb -0.63 -0.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 1tye s ASP 305 CO 0.56 0.30 0.28 -0.22 0.21 0.00 0.00 175.17 176.30 1tye s LEU 306 N -1.02 4.42 -0.07 1.23 2.96 0.11 -1.81 118.68 124.51 1tye s LEU 306 Ca 0.13 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.76 1tye s LEU 306 Cb -0.10 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.16 1tye s LEU 306 CO 0.02 0.34 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.49 1tye s LEU 307 N -1.22 1.74 -0.01 -0.68 1.43 -0.37 0.21 118.68 119.77 1tye s LEU 307 Ca 0.22 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1tye s LEU 307 Cb -0.14 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1tye s LEU 307 CO 0.11 0.06 -0.20 -0.69 0.23 0.00 0.00 176.35 175.86 1tye s VAL 308 N 0.54 1.54 -0.02 -1.59 1.01 -0.58 -1.12 120.40 120.19 1tye s VAL 308 Ca -0.14 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1tye s VAL 308 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1tye s VAL 308 CO 0.04 0.41 -0.09 -0.83 0.00 0.00 0.00 175.10 174.63 1tye s GLY 309 N -0.52 1.69 -0.42 4.51 0.00 -0.90 -0.61 107.32 111.07 1tye s GLY 309 Ca 0.07 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.87 1tye s GLY 309 CO -0.01 -0.84 0.56 0.00 0.00 0.00 0.00 173.10 172.81 1tye n ALA 310 N 1.80 2.64 0.27 3.20 0.00 -0.19 -1.39 120.51 126.83 1tye n ALA 310 Ca -0.16 -3.58 0.09 0.00 0.00 0.00 0.00 53.44 49.79 1tye n ALA 310 Cb 0.53 -0.82 0.36 0.00 0.00 0.00 0.00 19.45 19.51 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 3.99 0.00 -0.41 0.00 0.13 -1.60 -0.39 132.00 133.72 1tye h PRO 311 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1tye h PRO 311 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1tye h PRO 311 CO 0.51 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 1tye n LEU 312 N -2.76 3.21 -4.72 1.56 4.32 -0.95 -3.41 117.00 114.24 1tye n LEU 312 Ca 0.02 -2.07 -0.42 0.00 -0.02 0.00 0.00 56.01 53.51 1tye n LEU 312 Cb 0.82 -0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 1tye n LEU 312 CO 0.08 0.77 1.36 0.00 -1.22 0.00 0.00 177.39 178.38 1tye n TYR 313 N 0.66 2.74 -3.44 -1.77 4.19 -0.20 -4.53 117.16 114.81 1tye n TYR 313 Ca 0.15 0.06 -0.39 0.00 3.31 0.00 0.00 57.90 61.03 1tye n TYR 313 Cb 0.50 -2.67 -0.09 0.00 0.49 0.00 0.00 39.34 37.57 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 1.06 4.01 0.30 2.98 -1.94 -1.26 -1.20 119.30 123.25 1tye s MET 314 Ca 0.75 -0.05 -0.18 0.00 -1.71 0.00 0.00 55.69 54.50 1tye s MET 314 Cb -0.51 -3.65 -0.09 0.00 2.01 0.00 0.00 34.83 32.59 1tye s MET 314 CO 0.33 -0.24 0.77 -2.00 -0.01 0.00 0.00 175.02 173.88 1tye s GLU 315 N 1.95 4.15 -0.90 2.03 2.12 0.24 -4.70 118.70 123.60 1tye s GLU 315 Ca 0.13 0.84 -0.23 0.00 0.36 0.00 0.00 54.97 56.07 1tye s GLU 315 Cb -0.16 -2.57 0.06 0.00 0.26 0.00 0.00 34.13 31.73 1tye s GLU 315 CO 0.10 0.22 1.30 -1.12 -0.54 0.00 0.00 175.26 175.22 1tye s SER 316 N -2.02 6.40 0.66 -1.70 0.01 -1.26 -0.59 113.70 115.21 1tye s SER 316 Ca 0.51 -1.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.41 1tye s SER 316 Cb -0.13 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1tye s SER 316 CO 0.18 -1.50 1.04 -0.13 0.41 0.00 0.00 173.24 173.24 1tye s ARG 317 N 4.66 2.97 0.50 12.44 3.00 -0.73 -5.02 118.95 136.77 1tye s ARG 317 Ca 0.38 0.38 -0.22 0.00 0.00 0.00 0.00 55.73 56.27 1tye s ARG 317 Cb -0.05 -2.09 -0.06 0.00 0.00 0.00 0.00 34.95 32.75 1tye s ARG 317 CO -0.02 -0.89 1.26 0.00 0.00 0.00 0.00 175.30 175.66 1tye s ALA 318 N -3.24 2.90 0.00 2.13 0.00 -1.26 -3.73 121.76 118.56 1tye s ALA 318 Ca 0.57 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1tye s ALA 318 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1tye s ALA 318 CO 0.50 -1.02 0.00 -3.47 0.00 0.00 0.00 175.76 171.78 1tye n ASP 319 N -0.74 -0.98 -1.77 0.00 2.03 -1.26 -4.31 116.55 109.52 1tye n ASP 319 Ca 0.09 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.20 1tye n ASP 319 Cb 0.46 -0.33 -0.06 0.00 -0.72 0.00 0.00 41.12 40.47 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 -0.69 -1.44 -4.23 -0.67 5.12 -1.26 -5.00 116.66 108.50 1tye n ARG 320 Ca 0.00 1.10 -0.23 0.00 -1.93 0.00 0.00 57.85 56.79 1tye n ARG 320 Cb 0.33 -5.53 -0.07 0.00 -1.16 0.00 0.00 32.46 26.04 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 -4.15 2.31 0.16 5.56 -2.85 -1.24 -5.06 119.74 114.48 1tye s LYS 321 Ca 0.00 -1.49 0.10 0.00 -1.00 0.00 0.00 55.97 53.58 1tye s LYS 321 Cb 0.00 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.58 1tye s LYS 321 CO 0.00 0.25 -0.22 -0.51 0.10 0.00 0.00 175.35 174.97 1tye s LEU 322 N -3.74 2.40 -0.05 2.77 1.43 -1.26 -1.78 118.68 118.45 1tye s LEU 322 Ca 0.34 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1tye s LEU 322 Cb -0.04 -1.01 0.04 0.00 0.03 0.00 0.00 46.19 45.20 1tye s LEU 322 CO 0.21 0.06 0.10 0.00 0.23 0.00 0.00 176.35 176.95 1tye s ALA 323 N -1.66 0.01 -0.20 4.21 0.00 0.24 -4.89 121.76 119.47 1tye s ALA 323 Ca 0.16 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 1tye s ALA 323 Cb -0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1tye s ALA 323 CO 0.08 -0.39 1.47 -2.00 0.00 0.00 0.00 175.76 174.91 1tye s GLU 324 N 1.86 3.99 0.00 0.00 2.12 -1.26 0.83 118.70 126.23 1tye s GLU 324 Ca -0.00 1.65 0.00 0.00 0.36 0.00 0.00 54.97 56.98 1tye s GLU 324 Cb -0.12 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1tye s GLU 324 CO -0.04 -1.04 0.00 1.33 -0.54 0.00 0.00 175.26 174.96 1tye n VAL 325 N 5.97 0.00 0.00 3.70 0.24 -0.56 -0.49 118.33 127.18 1tye n VAL 325 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1tye n VAL 325 Cb 0.45 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.00 -2.06 3.10 7.63 0.00 -0.34 -1.74 105.19 111.77 1tye n GLY 326 Ca 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.20 0.64 0.02 1.61 3.52 -0.94 -0.33 118.95 119.27 1tye s ARG 327 Ca 0.00 -1.16 0.07 0.00 -0.13 0.00 0.00 55.73 54.51 1tye s ARG 327 Cb 0.00 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.43 1tye s ARG 327 CO 0.00 -0.07 -0.22 0.08 -0.81 0.00 0.00 175.30 174.28 1tye s VAL 328 N -3.45 1.73 0.04 7.11 1.01 0.20 -1.02 120.40 126.02 1tye s VAL 328 Ca 0.05 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 61.02 1tye s VAL 328 Cb 0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1tye s VAL 328 CO -0.07 0.34 -0.23 -0.31 0.00 0.00 0.00 175.10 174.83 1tye s TYR 329 N -0.67 2.43 -0.15 5.22 1.51 0.22 -1.71 117.35 124.21 1tye s TYR 329 Ca 0.08 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1tye s TYR 329 Cb -0.09 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1tye s TYR 329 CO 0.01 0.17 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.29 1tye s LEU 330 N -1.29 2.44 -0.18 -1.29 2.96 -0.89 -1.53 118.68 118.91 1tye s LEU 330 Ca 0.13 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1tye s LEU 330 Cb -0.10 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1tye s LEU 330 CO 0.03 0.10 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.62 1tye s PHE 331 N 0.72 2.78 -0.22 5.38 0.40 0.13 -0.69 117.98 126.48 1tye s PHE 331 Ca -0.07 -1.50 -0.12 0.00 -0.60 0.00 0.00 56.93 54.64 1tye s PHE 331 Cb -0.16 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 1tye s PHE 331 CO 0.01 -0.74 0.20 -0.51 0.70 0.00 0.00 175.22 174.89 1tye s LEU 332 N 1.22 4.15 0.04 -0.37 1.43 -1.26 0.10 118.68 123.99 1tye s LEU 332 Ca 0.03 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1tye s LEU 332 Cb -0.14 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1tye s LEU 332 CO -0.10 0.07 1.10 -1.58 0.23 0.00 0.00 176.35 176.07 1tye s GLN 333 N 0.89 4.50 0.00 1.70 0.74 -1.24 -4.72 119.66 121.52 1tye s GLN 333 Ca 0.10 1.61 0.00 0.00 0.05 0.00 0.00 55.36 57.12 1tye s GLN 333 Cb -0.13 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.59 1tye s GLN 333 CO 0.04 -0.15 0.00 -2.30 -0.55 0.00 0.00 175.29 172.33 1tye n PRO 334 N 3.85 -1.56 0.00 1.67 -0.02 -1.26 -4.94 135.00 132.74 1tye n PRO 334 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1tye n PRO 334 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1tye n PRO 334 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1tye n ARG 335 N -1.77 2.60 -0.39 -0.52 3.00 -1.26 -4.98 116.66 113.34 1tye n ARG 335 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 1tye n ARG 335 Cb 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 32.46 31.64 1tye n ARG 335 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1tye n GLY 336 N 2.26 -1.92 0.00 5.14 0.00 -1.26 -4.82 105.19 104.58 1tye n GLY 336 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.10 0.07 0.00 1.61 -0.02 -1.26 -4.80 135.00 128.50 1tye n PRO 337 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1tye n PRO 337 Cb 0.16 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1tye n PRO 337 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1tye n HIS 338 N -0.93 0.00 -4.50 6.00 1.44 -1.26 -5.13 115.22 110.84 1tye n HIS 338 Ca 0.01 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.48 1tye n HIS 338 Cb 0.01 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.03 1tye n HIS 338 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tye s ALA 339 N -2.35 2.82 0.55 1.59 0.00 -1.26 -4.61 121.76 118.51 1tye s ALA 339 Ca 0.00 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 1tye s ALA 339 Cb 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.80 1tye s ALA 339 CO 0.00 -0.33 1.13 1.28 0.00 0.00 0.00 175.76 177.83 1tye n LEU 340 N -0.87 4.29 0.00 0.00 4.32 -1.26 -4.76 117.00 118.72 1tye n LEU 340 Ca -0.05 0.91 0.00 0.00 -0.02 0.00 0.00 56.01 56.84 1tye n LEU 340 Cb 0.65 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 1tye n LEU 340 CO 0.36 -1.30 0.00 0.61 -1.22 0.00 0.00 177.39 175.85 1tye n GLY 341 N 1.06 3.03 3.93 -0.72 0.00 -1.26 -5.05 105.19 106.18 1tye n GLY 341 Ca 0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1tye n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tye s ALA 342 N -2.00 3.46 0.29 4.61 0.00 -1.26 -5.03 121.76 121.84 1tye s ALA 342 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1tye s ALA 342 Cb 0.00 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 1tye s ALA 342 CO 0.00 -0.65 1.60 -1.25 0.00 0.00 0.00 175.76 175.46 1tye s PRO 343 N -4.84 4.12 0.25 0.00 0.04 -1.26 -4.78 135.00 128.52 1tye s PRO 343 Ca 0.52 2.59 0.23 0.00 0.04 0.00 0.00 61.00 64.38 1tye s PRO 343 Cb -0.10 -3.02 0.24 0.00 0.04 0.00 0.00 34.50 31.66 1tye s PRO 343 CO 0.43 -0.64 1.32 0.77 0.04 0.00 0.00 177.00 178.92 1tye h SER 344 N 4.84 0.00 -4.21 6.66 0.02 -1.30 -3.47 113.55 116.08 1tye h SER 344 Ca -0.47 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1tye h SER 344 Cb 1.22 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.54 1tye h SER 344 CO 0.79 0.03 0.37 -0.22 -1.14 0.00 0.00 176.83 176.66 1tye s LEU 345 N -5.25 -0.52 -0.32 5.07 2.96 -1.25 -5.01 118.68 114.37 1tye s LEU 345 Ca 0.04 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1tye s LEU 345 Cb 0.09 2.14 0.10 0.00 0.50 0.00 0.00 46.19 49.03 1tye s LEU 345 CO 0.72 -0.38 0.08 -0.76 -1.32 0.00 0.00 176.35 174.69 1tye s LEU 346 N -0.73 3.29 -0.17 -0.68 1.02 -1.26 -2.10 118.68 118.05 1tye s LEU 346 Ca -0.04 -1.85 -0.22 0.00 0.02 0.00 0.00 54.13 52.05 1tye s LEU 346 Cb -0.02 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.98 1tye s LEU 346 CO 0.03 -0.40 0.69 -0.76 0.02 0.00 0.00 176.35 175.93 1tye s LEU 347 N 1.32 4.17 0.01 1.79 1.43 -0.69 -4.93 118.68 121.79 1tye s LEU 347 Ca 0.10 0.97 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1tye s LEU 347 Cb -0.18 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1tye s LEU 347 CO -0.18 -0.29 -0.15 0.28 0.23 0.00 0.00 176.35 176.25 1tye s THR 348 N 1.84 1.18 0.95 5.49 -1.32 -1.26 0.62 115.64 123.14 1tye s THR 348 Ca 0.32 -0.82 -0.13 0.00 -1.21 0.00 0.00 61.69 59.86 1tye s THR 348 Cb -0.16 -1.02 0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1tye s THR 348 CO 0.12 0.19 0.45 0.61 -2.21 0.00 0.00 174.62 173.78 1tye n GLY 349 N 2.33 -1.91 0.00 6.08 0.00 0.55 -5.00 105.19 107.25 1tye n GLY 349 Ca -0.16 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.65 0.02 -3.40 2.61 -2.24 -1.26 -4.88 114.28 101.47 1tye n THR 350 Ca 0.07 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1tye n THR 350 Cb 0.54 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.01 4.15 0.22 -0.78 2.00 -1.26 -5.04 119.66 116.94 1tye s GLN 351 Ca -0.00 0.44 -0.31 0.00 -2.00 0.00 0.00 55.36 53.49 1tye s GLN 351 Cb 0.00 -3.33 -0.10 0.00 0.80 0.00 0.00 33.01 30.38 1tye s GLN 351 CO 0.01 0.43 1.52 -1.17 -0.50 0.00 0.00 175.29 175.58 1tye s LEU 352 N -0.26 4.37 -1.62 3.68 2.96 -1.26 -2.44 118.68 124.11 1tye s LEU 352 Ca 0.25 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.86 1tye s LEU 352 Cb -0.16 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1tye s LEU 352 CO 0.12 -0.79 0.00 -1.22 -1.32 0.00 0.00 176.35 173.14 1tye n TYR 353 N 2.99 -0.36 0.84 5.38 4.01 0.35 -4.90 117.16 125.47 1tye n TYR 353 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 1tye n TYR 353 Cb 0.39 -3.12 0.53 0.00 -0.31 0.00 0.00 39.34 36.83 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 -0.96 -1.57 3.87 2.72 0.00 -1.02 -4.63 105.19 103.59 1tye n GLY 354 Ca -0.18 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.81 -4.89 -1.95 1.61 1.74 -1.25 -2.74 116.66 107.37 1tye n ARG 355 Ca 0.06 0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 57.30 1tye n ARG 355 Cb 0.37 -5.24 -0.02 0.00 -1.02 0.00 0.00 32.46 26.55 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 -3.51 2.95 0.00 -1.55 5.36 -0.71 -2.91 117.98 117.61 1tye s PHE 356 Ca 0.36 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 1tye s PHE 356 Cb -0.18 -3.89 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 1tye s PHE 356 CO 0.84 -2.94 0.00 0.41 -1.46 0.00 0.00 175.22 172.07 1tye n GLY 357 N 2.27 0.82 0.05 13.12 0.00 0.56 -3.43 105.19 118.58 1tye n GLY 357 Ca 0.07 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1tye n GLY 357 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tye n SER 358 N 0.08 0.19 -3.65 1.61 3.41 -1.15 -4.00 113.62 110.11 1tye n SER 358 Ca 0.00 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 1tye n SER 358 Cb 0.00 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 1tye n SER 358 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye s ALA 359 N -2.42 -1.73 -0.25 7.33 0.00 -1.26 -4.78 121.76 118.65 1tye s ALA 359 Ca 0.32 2.20 -0.04 0.00 0.00 0.00 0.00 51.96 54.44 1tye s ALA 359 Cb 0.21 -1.29 0.08 0.00 0.00 0.00 0.00 23.12 22.12 1tye s ALA 359 CO 0.45 -0.35 0.10 0.42 0.00 0.00 0.00 175.76 176.38 1tye s ILE 360 N 1.30 0.10 -0.25 0.00 1.01 -1.26 -0.66 121.20 121.44 1tye s ILE 360 Ca -0.07 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1tye s ILE 360 Cb -0.05 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1tye s ILE 360 CO -0.14 -0.54 0.13 0.00 0.00 0.00 0.00 174.94 174.39 1tye s ALA 361 N 2.03 3.41 -0.42 9.38 0.00 -0.67 -4.68 121.76 130.80 1tye s ALA 361 Ca 0.06 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1tye s ALA 361 Cb -0.16 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1tye s ALA 361 CO -0.24 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.01 1tye s PRO 362 N 1.36 3.82 0.87 0.00 0.04 -1.26 -1.22 135.00 138.61 1tye s PRO 362 Ca 0.06 0.69 -0.13 0.00 0.04 0.00 0.00 61.00 61.66 1tye s PRO 362 Cb -0.15 -3.85 0.12 0.00 0.04 0.00 0.00 34.50 30.66 1tye s PRO 362 CO 0.06 -1.20 1.18 -0.51 0.04 0.00 0.00 177.00 176.56 1tye s LEU 363 N 4.11 2.28 0.00 -3.56 1.43 -0.96 -3.78 118.68 118.20 1tye s LEU 363 Ca 0.46 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1tye s LEU 363 Cb -0.09 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1tye s LEU 363 CO 0.26 -2.29 0.00 0.61 0.23 0.00 0.00 176.35 175.15 1tye n GLY 364 N -2.87 1.14 2.89 -3.19 0.00 -1.26 -4.20 105.19 97.70 1tye n GLY 364 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1tye n GLY 364 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tye n ASP 365 N 0.00 4.00 -0.33 1.61 2.03 -1.26 -1.52 116.55 121.08 1tye n ASP 365 Ca 0.00 -3.25 0.23 0.00 0.52 0.00 0.00 54.79 52.29 1tye n ASP 365 Cb 0.00 -0.91 0.46 0.00 -0.72 0.00 0.00 41.12 39.96 1tye n ASP 365 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1tye h LEU 366 N 5.36 0.43 -1.52 -2.67 6.46 -1.89 -1.85 115.31 119.63 1tye h LEU 366 Ca 0.17 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 58.13 1tye h LEU 366 Cb 0.74 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1tye h LEU 366 CO 0.86 -0.17 -0.14 -0.90 -0.62 0.00 0.00 178.44 177.47 1tye n ASP 367 N -5.10 2.43 -0.25 1.25 5.75 -1.26 -3.62 116.55 115.76 1tye n ASP 367 Ca 0.31 -1.72 -0.03 0.00 -0.01 0.00 0.00 54.79 53.34 1tye n ASP 367 Cb 0.98 0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 41.21 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 0.75 -1.12 0.11 0.11 5.12 -0.70 -4.61 116.66 116.32 1tye n ARG 368 Ca 0.11 0.47 0.12 0.00 -1.93 0.00 0.00 57.85 56.61 1tye n ARG 368 Cb 0.48 -4.40 0.46 0.00 -1.16 0.00 0.00 32.46 27.84 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 -0.46 0.62 0.00 0.55 5.75 -1.26 -4.90 116.55 116.85 1tye n ASP 369 Ca -0.03 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 1tye n ASP 369 Cb 0.33 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 0.39 0.55 3.11 6.12 0.00 -1.26 -5.07 105.19 109.02 1tye n GLY 370 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 2.52 0.33 1.61 2.02 -1.26 -4.55 117.35 116.02 1tye s TYR 371 Ca 0.00 -1.37 -0.29 0.00 -0.37 0.00 0.00 57.07 55.04 1tye s TYR 371 Cb 0.00 -1.76 -0.11 0.00 -0.40 0.00 0.00 41.96 39.69 1tye s TYR 371 CO 0.00 -0.68 1.44 -0.80 -1.57 0.00 0.00 175.55 173.94 1tye s ASN 372 N 1.13 6.52 0.44 2.29 0.02 -1.25 -4.22 114.94 119.88 1tye s ASN 372 Ca -0.00 2.87 0.07 0.00 -1.02 0.00 0.00 52.86 54.78 1tye s ASN 372 Cb -0.14 -2.65 -0.01 0.00 0.02 0.00 0.00 41.25 38.47 1tye s ASN 372 CO -0.07 -0.75 0.40 -1.81 0.02 0.00 0.00 177.10 174.88 1tye s ASP 373 N -0.08 4.98 0.19 -1.22 1.01 -0.58 -3.02 116.67 117.95 1tye s ASP 373 Ca 0.54 -0.83 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 1tye s ASP 373 Cb -0.44 -0.39 -0.03 0.00 1.01 0.00 0.00 42.92 43.07 1tye s ASP 373 CO 0.55 -0.75 0.18 0.27 0.21 0.00 0.00 175.17 175.63 1tye s ILE 374 N -2.53 0.02 0.02 0.77 -4.36 -0.28 -2.27 121.20 112.57 1tye s ILE 374 Ca 0.47 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 1tye s ILE 374 Cb -0.03 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 1tye s ILE 374 CO 0.27 -0.10 -0.11 0.00 0.24 0.00 0.00 174.94 175.24 1tye s ALA 375 N -4.11 0.93 -0.05 2.27 0.00 -0.36 -0.81 121.76 119.64 1tye s ALA 375 Ca 0.33 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1tye s ALA 375 Cb 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1tye s ALA 375 CO 0.09 0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.98 1tye s VAL 376 N -0.64 1.12 0.14 0.00 1.01 0.22 -1.68 120.40 120.59 1tye s VAL 376 Ca 0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1tye s VAL 376 Cb -0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 1tye s VAL 376 CO 0.00 0.35 0.41 0.00 0.00 0.00 0.00 175.10 175.86 1tye s ALA 377 N 0.45 3.75 -0.45 5.51 0.00 0.16 -0.94 121.76 130.25 1tye s ALA 377 Ca -0.10 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1tye s ALA 377 Cb -0.14 -2.20 0.20 0.00 0.00 0.00 0.00 23.12 20.99 1tye s ALA 377 CO 0.03 0.63 0.56 0.00 0.00 0.00 0.00 175.76 176.97 1tye n ALA 378 N 0.19 0.89 0.31 0.00 0.00 -0.80 -0.33 120.51 120.78 1tye n ALA 378 Ca -0.03 -2.36 0.09 0.00 0.00 0.00 0.00 53.44 51.14 1tye n ALA 378 Cb 0.52 -1.05 0.44 0.00 0.00 0.00 0.00 19.45 19.36 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 4.91 0.00 0.00 0.00 0.11 -1.62 0.20 132.00 135.60 1tye h PRO 379 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1tye h PRO 379 Cb 0.97 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.02 1tye h PRO 379 CO 0.28 0.00 -0.44 0.66 -0.21 0.00 0.00 178.00 178.29 1tye n TYR 380 N -2.75 0.00 -1.05 0.65 4.01 -1.11 -3.48 117.16 113.43 1tye n TYR 380 Ca -0.00 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 1tye n TYR 380 Cb 0.70 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1tye n TYR 380 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tye n GLY 381 N -0.47 -0.15 0.22 2.72 0.00 0.55 -4.16 105.19 103.91 1tye n GLY 381 Ca 0.08 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.35 1tye n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tye n GLY 382 N 5.00 -2.79 0.24 -0.02 0.00 -1.26 -1.01 105.19 105.35 1tye n GLY 382 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.16 0.29 0.00 1.61 0.11 -1.96 -1.08 132.00 130.80 1tye h PRO 383 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1tye h PRO 383 Cb 0.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1tye h PRO 383 CO 0.01 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 176.86 1tye n SER 384 N -5.10 0.25 -0.23 -2.05 3.41 -1.26 -4.90 113.62 103.74 1tye n SER 384 Ca 0.10 0.53 -0.03 0.00 -0.26 0.00 0.00 58.87 59.22 1tye n SER 384 Cb 0.35 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1tye n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tye n GLY 385 N 1.00 0.61 0.45 5.00 0.00 -0.41 -4.90 105.19 106.93 1tye n GLY 385 Ca 0.05 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.55 1.61 0.00 1.61 1.74 -1.12 -4.44 116.66 113.51 1tye n ARG 386 Ca -0.03 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1tye n ARG 386 Cb 0.14 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.13 0.54 3.48 -0.13 0.00 -0.18 -4.53 105.19 105.50 1tye n GLY 387 Ca 0.18 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.96 1.13 -0.12 1.61 -2.07 -0.30 -1.99 119.66 113.96 1tye s GLN 388 Ca 0.00 -0.09 -0.00 0.00 -1.82 0.00 0.00 55.36 53.45 1tye s GLN 388 Cb 0.00 0.53 -0.02 0.00 -1.09 0.00 0.00 33.01 32.43 1tye s GLN 388 CO 0.00 -0.43 -0.11 0.08 -1.32 0.00 0.00 175.29 173.51 1tye s VAL 389 N -2.40 3.25 -0.18 3.63 1.01 -0.10 -1.90 120.40 123.71 1tye s VAL 389 Ca -0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1tye s VAL 389 Cb -0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1tye s VAL 389 CO -0.01 0.53 -0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1tye s LEU 390 N 0.18 3.14 -0.10 3.92 1.02 -0.11 -0.03 118.68 126.70 1tye s LEU 390 Ca -0.06 -0.22 -0.18 0.00 0.02 0.00 0.00 54.13 53.68 1tye s LEU 390 Cb -0.15 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 1tye s LEU 390 CO 0.04 0.10 0.50 -0.69 0.02 0.00 0.00 176.35 176.32 1tye s VAL 391 N 0.78 5.14 -0.15 -1.59 1.01 -0.46 -0.61 120.40 124.52 1tye s VAL 391 Ca -0.01 1.00 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1tye s VAL 391 Cb -0.14 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1tye s VAL 391 CO 0.02 0.35 -0.15 -0.36 0.00 0.00 0.00 175.10 174.96 1tye s PHE 392 N 0.43 2.23 0.38 5.22 0.40 0.01 -1.07 117.98 125.59 1tye s PHE 392 Ca 0.27 -1.25 -0.20 0.00 -0.60 0.00 0.00 56.93 55.15 1tye s PHE 392 Cb -0.16 -1.62 -0.10 0.00 0.51 0.00 0.00 43.02 41.65 1tye s PHE 392 CO 0.12 -0.67 0.90 -0.51 0.70 0.00 0.00 175.22 175.75 1tye s LEU 393 N 1.41 4.04 0.38 -0.37 1.43 -1.26 -1.13 118.68 123.17 1tye s LEU 393 Ca 0.04 1.61 -0.24 0.00 -1.03 0.00 0.00 54.13 54.51 1tye s LEU 393 Cb -0.13 -4.33 -0.10 0.00 0.03 0.00 0.00 46.19 41.66 1tye s LEU 393 CO -0.10 -0.27 0.96 -0.83 0.23 0.00 0.00 176.35 176.34 1tye s GLY 394 N -2.10 2.63 0.18 -3.19 0.00 -1.17 -2.82 107.32 100.86 1tye s GLY 394 Ca 0.58 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 1tye s GLY 394 CO 0.16 0.89 0.12 1.62 0.00 0.00 0.00 173.10 175.89 1tye s GLN 395 N -2.57 1.14 0.48 2.90 0.74 -0.60 -4.76 119.66 116.99 1tye s GLN 395 Ca 0.56 -1.56 0.13 0.00 0.05 0.00 0.00 55.36 54.53 1tye s GLN 395 Cb -0.16 0.27 1.12 0.00 1.10 0.00 0.00 33.01 35.34 1tye s GLN 395 CO 0.20 -0.37 2.12 1.03 -0.55 0.00 0.00 175.29 177.72 1tye h SER 396 N 2.67 0.17 -0.00 6.67 0.87 -1.88 -2.31 113.55 119.74 1tye h SER 396 Ca -0.35 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1tye h SER 396 Cb 1.24 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1tye h SER 396 CO 0.54 0.13 -0.04 -0.62 -0.53 0.00 0.00 176.83 176.31 1tye n GLU 397 N -4.52 1.83 0.00 2.24 1.02 -1.26 -4.90 120.64 115.05 1tye n GLU 397 Ca -0.01 -1.28 0.00 0.00 -0.02 0.00 0.00 57.16 55.85 1tye n GLU 397 Cb 0.08 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.26 1.20 3.05 0.62 0.00 -0.87 -5.04 105.19 105.41 1tye n GLY 398 Ca 0.16 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 2.01 0.27 0.99 1.43 -1.26 -1.56 118.68 120.55 1tye s LEU 399 Ca 0.00 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 1tye s LEU 399 Cb 0.00 0.35 -0.09 0.00 0.03 0.00 0.00 46.19 46.48 1tye s LEU 399 CO 0.00 -0.39 1.09 -0.13 0.23 0.00 0.00 176.35 177.15 1tye s ARG 400 N -1.91 4.65 0.24 1.70 1.81 -1.13 -4.90 118.95 119.40 1tye s ARG 400 Ca -0.11 1.78 0.23 0.00 -1.72 0.00 0.00 55.73 55.91 1tye s ARG 400 Cb -0.06 -3.20 0.95 0.00 -0.45 0.00 0.00 34.95 32.19 1tye s ARG 400 CO -0.02 0.21 1.70 0.43 -0.68 0.00 0.00 175.30 176.94 1tye n SER 401 N 1.35 0.62 -4.41 0.23 7.64 -1.26 -4.67 113.62 113.12 1tye n SER 401 Ca -0.01 0.65 -0.33 0.00 1.01 0.00 0.00 58.87 60.20 1tye n SER 401 Cb 0.45 -0.78 -0.14 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.28 2.82 0.13 1.43 1.81 -1.26 -4.98 118.95 115.62 1tye s ARG 402 Ca 0.05 -0.72 -0.31 0.00 -1.72 0.00 0.00 55.73 53.03 1tye s ARG 402 Cb 0.09 -2.44 -0.09 0.00 -0.45 0.00 0.00 34.95 32.06 1tye s ARG 402 CO 0.39 0.45 1.48 -1.25 -0.68 0.00 0.00 175.30 175.69 1tye s PRO 403 N -0.28 4.27 0.26 3.54 0.04 -1.26 -4.76 135.00 136.81 1tye s PRO 403 Ca 0.02 2.21 0.25 0.00 0.04 0.00 0.00 61.00 63.52 1tye s PRO 403 Cb -0.13 -3.23 0.95 0.00 0.04 0.00 0.00 34.50 32.13 1tye s PRO 403 CO 0.03 -0.53 1.74 -1.13 0.04 0.00 0.00 177.00 177.14 1tye n SER 404 N 4.08 0.75 -3.52 6.66 3.41 -0.23 -4.83 113.62 119.93 1tye n SER 404 Ca 0.13 0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 59.29 1tye n SER 404 Cb 0.41 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1tye n SER 404 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1tye s GLN 405 N -3.28 0.80 -0.11 4.33 0.74 -1.24 -5.01 119.66 115.90 1tye s GLN 405 Ca 0.06 -0.14 -0.02 0.00 0.05 0.00 0.00 55.36 55.31 1tye s GLN 405 Cb 0.10 0.37 0.04 0.00 1.10 0.00 0.00 33.01 34.62 1tye s GLN 405 CO 0.45 -0.32 0.00 0.08 -0.55 0.00 0.00 175.29 174.95 1tye s VAL 406 N -2.45 0.51 -0.39 1.34 1.01 -1.26 -1.36 120.40 117.80 1tye s VAL 406 Ca 0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1tye s VAL 406 Cb -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1tye s VAL 406 CO -0.05 0.15 0.50 -0.76 0.00 0.00 0.00 175.10 174.94 1tye s LEU 407 N 1.90 4.54 0.12 3.92 1.02 0.95 -4.96 118.68 126.18 1tye s LEU 407 Ca 0.03 -0.30 -0.23 0.00 0.02 0.00 0.00 54.13 53.65 1tye s LEU 407 Cb -0.14 -2.53 -0.07 0.00 0.02 0.00 0.00 46.19 43.47 1tye s LEU 407 CO -0.06 -0.56 0.69 -1.81 0.02 0.00 0.00 176.35 174.63 1tye s ASP 408 N 1.82 7.25 0.13 2.29 1.01 -1.26 -0.93 116.67 126.99 1tye s ASP 408 Ca 0.17 1.49 -0.31 0.00 0.71 0.00 0.00 52.55 54.60 1tye s ASP 408 Cb -0.16 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 1tye s ASP 408 CO 0.14 0.23 1.83 -0.24 0.21 0.00 0.00 175.17 177.35 1tye n SER 409 N 1.69 4.05 -0.53 0.27 2.88 -0.84 -4.88 113.62 116.26 1tye n SER 409 Ca -0.07 0.99 0.09 0.00 -1.33 0.00 0.00 58.87 58.55 1tye n SER 409 Cb 0.50 -1.55 0.33 0.00 -0.75 0.00 0.00 64.21 62.73 1tye n SER 409 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1tye n PRO 410 N 5.50 1.69 -3.75 -1.46 -0.04 -1.26 -4.92 135.00 130.75 1tye n PRO 410 Ca 0.18 -1.04 -0.22 0.00 -0.04 0.00 0.00 63.50 62.38 1tye n PRO 410 Cb 0.37 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.75 2.73 0.52 0.54 0.08 -1.26 -5.14 117.98 113.70 1tye s PHE 411 Ca 0.29 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 1tye s PHE 411 Cb 0.16 -2.02 0.13 0.00 -0.57 0.00 0.00 43.02 40.72 1tye s PHE 411 CO 0.23 0.03 0.34 -2.30 -0.10 0.00 0.00 175.22 173.42 1tye n PRO 412 N -1.43 -2.74 -2.59 0.24 -0.02 -1.26 -4.91 135.00 122.29 1tye n PRO 412 Ca 0.01 -0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 60.55 1tye n PRO 412 Cb 0.62 -0.68 -0.05 0.00 -0.02 0.00 0.00 33.50 33.37 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 -1.49 3.79 0.00 3.45 2.01 -1.26 -3.30 115.64 118.84 1tye s THR 413 Ca 0.25 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.75 1tye s THR 413 Cb -0.04 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1tye s THR 413 CO 0.21 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1tye n GLY 414 N 0.62 0.75 0.06 4.40 0.00 -1.26 -4.88 105.19 104.87 1tye n GLY 414 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1tye n GLY 414 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tye n SER 415 N -0.02 0.27 -2.01 1.61 3.41 -1.21 -4.36 113.62 111.31 1tye n SER 415 Ca 0.00 0.57 -0.16 0.00 -0.26 0.00 0.00 58.87 59.02 1tye n SER 415 Cb 0.01 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.30 1tye n SER 415 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tye n ALA 416 N -1.61 -0.50 -1.72 7.33 0.00 -1.26 -1.34 120.51 121.40 1tye n ALA 416 Ca 0.02 0.19 -0.65 0.00 0.00 0.00 0.00 53.44 53.01 1tye n ALA 416 Cb 0.16 -1.76 -0.09 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.98 1.81 0.00 0.00 7.35 -1.26 -1.35 117.46 121.04 1tye n PHE 417 Ca -0.18 0.97 0.00 0.00 -0.76 0.00 0.00 57.45 57.48 1tye n PHE 417 Cb 0.60 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 38.13 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 4.23 2.35 0.49 7.13 0.00 -0.52 -3.66 105.19 115.21 1tye n GLY 418 Ca 0.31 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.65 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 0.33 -3.58 1.61 3.57 -1.26 -3.36 116.94 114.25 1tye h PHE 419 Ca 0.00 0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.83 1tye h PHE 419 Cb 0.00 -0.09 -0.32 0.00 2.79 0.00 0.00 35.95 38.32 1tye h PHE 419 CO 0.00 -0.01 -0.88 0.45 -2.23 0.00 0.00 178.31 175.63 1tye s SER 420 N -5.00 3.08 -0.03 0.41 0.15 -1.25 -4.73 113.70 106.34 1tye s SER 420 Ca -0.07 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 1tye s SER 420 Cb 0.25 -1.21 0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1tye s SER 420 CO 0.81 0.19 0.07 -0.76 1.20 0.00 0.00 173.24 174.75 1tye s LEU 421 N 0.16 1.66 -0.13 3.45 1.43 -1.26 -0.82 118.68 123.17 1tye s LEU 421 Ca -0.13 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 1tye s LEU 421 Cb -0.16 0.22 0.04 0.00 0.03 0.00 0.00 46.19 46.32 1tye s LEU 421 CO 0.07 -0.03 0.44 -0.60 0.23 0.00 0.00 176.35 176.45 1tye s ARG 422 N 0.14 0.60 0.00 1.70 6.06 -0.76 -4.69 118.95 122.00 1tye s ARG 422 Ca -0.01 0.42 0.00 0.00 -2.50 0.00 0.00 55.73 53.64 1tye s ARG 422 Cb -0.02 0.28 0.00 0.00 0.06 0.00 0.00 34.95 35.28 1tye s ARG 422 CO -0.00 -0.11 0.00 0.41 -2.50 0.00 0.00 175.30 173.10 1tye n GLY 423 N 2.34 3.67 2.28 8.12 0.00 -1.26 -0.61 105.19 119.73 1tye n GLY 423 Ca -0.16 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.14 -2.82 4.61 0.00 -1.20 -4.85 120.51 113.10 1tye n ALA 424 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1tye n ALA 424 Cb 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.35 0.26 -1.00 0.00 1.01 -1.26 -4.71 120.40 112.35 1tye s VAL 425 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 1tye s VAL 425 Cb 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 36.20 1tye s VAL 425 CO 0.00 -0.01 1.38 -0.62 0.00 0.00 0.00 175.10 175.85 1tye s ASP 426 N -0.30 6.53 0.08 3.32 -1.08 -1.26 -1.20 116.67 122.76 1tye s ASP 426 Ca -0.01 -1.59 -0.19 0.00 -0.52 0.00 0.00 52.55 50.23 1tye s ASP 426 Cb -0.03 -2.53 -0.09 0.00 -1.46 0.00 0.00 42.92 38.81 1tye s ASP 426 CO -0.00 -1.41 1.53 -0.29 0.52 0.00 0.00 175.17 175.52 1tye h ILE 427 N 6.57 1.24 0.00 4.11 6.09 -1.94 -3.20 117.51 130.38 1tye h ILE 427 Ca 0.19 -0.83 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1tye h ILE 427 Cb 1.01 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.65 1tye h ILE 427 CO 1.36 0.26 -1.23 -0.90 -3.07 0.00 0.00 178.15 174.57 1tye n ASP 428 N -4.68 0.55 -2.79 2.19 5.75 -1.26 -4.70 116.55 111.61 1tye n ASP 428 Ca -0.04 -0.04 -0.05 0.00 -0.01 0.00 0.00 54.79 54.65 1tye n ASP 428 Cb 0.22 0.96 0.02 0.00 -1.03 0.00 0.00 41.12 41.30 1tye n ASP 428 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1tye n ASP 429 N -2.20 -6.19 -0.82 -1.12 2.03 -1.21 -4.97 116.55 102.06 1tye n ASP 429 Ca 0.00 -0.26 0.09 0.00 0.52 0.00 0.00 54.79 55.13 1tye n ASP 429 Cb 0.49 -4.32 0.25 0.00 -0.72 0.00 0.00 41.12 36.82 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 -2.12 3.72 0.00 1.67 6.94 -1.26 -4.92 115.26 119.29 1tye n ASN 430 Ca -0.02 -2.96 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 1tye n ASN 430 Cb 0.54 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.52 0.79 3.07 4.83 0.00 -1.26 -4.98 105.19 107.12 1tye n GLY 431 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.07 1.55 0.56 1.61 1.51 -1.26 -5.10 117.35 113.15 1tye s TYR 432 Ca 0.00 -0.51 -0.21 0.00 -1.01 0.00 0.00 57.07 55.34 1tye s TYR 432 Cb 0.00 -1.09 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1tye s TYR 432 CO 0.00 -0.22 1.35 -2.30 -1.11 0.00 0.00 175.55 173.26 1tye n PRO 433 N 3.48 1.62 -4.70 -1.71 -0.02 -1.26 -4.54 135.00 127.88 1tye n PRO 433 Ca -0.20 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 1tye n PRO 433 Cb 0.53 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 1tye n PRO 433 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1tye s ASP 434 N -0.96 3.89 -0.04 2.55 1.01 -0.34 -4.20 116.67 118.57 1tye s ASP 434 Ca 0.73 -1.58 0.01 0.00 0.71 0.00 0.00 52.55 52.41 1tye s ASP 434 Cb -0.41 0.28 0.02 0.00 1.01 0.00 0.00 42.92 43.82 1tye s ASP 434 CO 0.48 -0.76 -0.03 -0.22 0.21 0.00 0.00 175.17 174.86 1tye s LEU 435 N -3.80 1.24 -0.10 1.23 2.96 -0.49 -3.26 118.68 116.47 1tye s LEU 435 Ca 0.15 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1tye s LEU 435 Cb 0.04 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 1tye s LEU 435 CO 0.08 -0.07 -0.06 0.27 -1.32 0.00 0.00 176.35 175.24 1tye s ILE 436 N 0.99 3.71 -0.07 6.68 -4.36 0.22 0.29 121.20 128.66 1tye s ILE 436 Ca -0.10 -0.46 0.03 0.00 -0.26 0.00 0.00 60.65 59.86 1tye s ILE 436 Cb -0.14 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.03 1tye s ILE 436 CO -0.01 0.57 -0.15 -0.69 0.24 0.00 0.00 174.94 174.90 1tye s VAL 437 N -0.42 1.33 -0.15 8.37 1.01 -0.09 -1.82 120.40 128.63 1tye s VAL 437 Ca 0.06 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1tye s VAL 437 Cb -0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1tye s VAL 437 CO 0.02 0.40 0.13 -0.83 0.00 0.00 0.00 175.10 174.82 1tye s GLY 438 N 0.56 2.10 -0.65 4.51 0.00 -0.00 -0.39 107.32 113.45 1tye s GLY 438 Ca -0.15 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 43.96 1tye s GLY 438 CO 0.05 -0.16 0.56 0.00 0.00 0.00 0.00 173.10 173.55 1tye n ALA 439 N 2.64 3.53 0.18 3.20 0.00 0.24 -1.44 120.51 128.87 1tye n ALA 439 Ca -0.18 -4.43 0.18 0.00 0.00 0.00 0.00 53.44 49.01 1tye n ALA 439 Cb 0.54 -0.95 0.81 0.00 0.00 0.00 0.00 19.45 19.85 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 4.96 0.00 -0.05 0.00 -0.00 -1.68 -0.52 116.97 119.68 1tye h TYR 440 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.80 1tye h TYR 440 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.46 1tye h TYR 440 CO 0.64 0.00 -0.43 0.78 -0.00 0.00 0.00 178.16 179.16 1tye h GLY 441 N 0.00 0.13 -1.99 0.10 0.00 -1.41 -2.84 103.07 97.06 1tye h GLY 441 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1tye h GLY 441 CO -0.00 0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.65 1tye n ALA 442 N -2.46 2.41 -2.42 3.60 0.00 -0.25 -4.74 120.51 116.64 1tye n ALA 442 Ca -0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 53.44 52.31 1tye n ALA 442 Cb 0.47 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 1.28 -5.50 -4.27 0.00 5.03 -0.88 -4.91 115.26 106.00 1tye n ASN 443 Ca 0.16 -0.04 -0.15 0.00 0.87 0.00 0.00 54.58 55.42 1tye n ASN 443 Cb 0.55 -4.53 -0.10 0.00 -1.02 0.00 0.00 39.78 34.68 1tye n ASN 443 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1tye s GLN 444 N -5.01 1.14 -0.02 3.52 -0.21 -1.06 -1.54 119.66 116.49 1tye s GLN 444 Ca 0.03 -1.52 0.04 0.00 0.02 0.00 0.00 55.36 53.92 1tye s GLN 444 Cb -0.01 -0.59 -0.01 0.00 1.00 0.00 0.00 33.01 33.40 1tye s GLN 444 CO 0.03 0.01 -0.13 0.08 -2.12 0.00 0.00 175.29 173.16 1tye s VAL 445 N -3.38 1.09 -0.13 1.09 1.01 -0.32 -0.59 120.40 119.17 1tye s VAL 445 Ca 0.21 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1tye s VAL 445 Cb 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1tye s VAL 445 CO 0.03 0.32 -0.22 0.00 0.00 0.00 0.00 175.10 175.22 1tye s ALA 446 N -0.14 2.24 -0.08 5.51 0.00 0.47 -0.91 121.76 128.86 1tye s ALA 446 Ca 0.02 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1tye s ALA 446 Cb -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1tye s ALA 446 CO 0.00 0.02 0.27 0.08 0.00 0.00 0.00 175.76 176.12 1tye s VAL 447 N 0.75 5.29 -0.12 0.00 1.01 0.83 -0.91 120.40 127.25 1tye s VAL 447 Ca -0.09 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1tye s VAL 447 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1tye s VAL 447 CO -0.00 0.58 -0.20 -0.31 0.00 0.00 0.00 175.10 175.16 1tye s TYR 448 N -0.87 2.40 0.07 5.22 2.02 0.14 -2.33 117.35 124.00 1tye s TYR 448 Ca 0.19 -1.13 0.02 0.00 -0.37 0.00 0.00 57.07 55.78 1tye s TYR 448 Cb -0.14 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1tye s TYR 448 CO 0.08 -0.52 0.12 1.03 -1.57 0.00 0.00 175.55 174.69 1tye s ARG 449 N 0.74 3.05 0.00 -0.62 0.52 -1.26 -1.40 118.95 119.99 1tye s ARG 449 Ca -0.10 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1tye s ARG 449 Cb -0.16 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1tye s ARG 449 CO 0.01 0.58 0.34 0.00 0.02 0.00 0.00 175.30 176.25 1tye n ALA 450 N 0.41 -0.11 -3.59 2.13 0.00 -1.26 -0.88 120.51 117.20 1tye n ALA 450 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1tye n ALA 450 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1tye n ALA 450 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tye n GLN 451 N -1.22 2.31 0.00 0.00 1.13 -1.26 -4.18 117.38 114.16 1tye n GLN 451 Ca 0.00 -4.61 0.01 0.00 -1.94 0.00 0.00 57.00 50.46 1tye n GLN 451 Cb 0.00 -2.27 0.05 0.00 0.11 0.00 0.00 30.24 28.12 1tye n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32