#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igr s ILE 2 N 0.00 4.19 -0.11 3.84 1.01 -1.25 0.17 121.20 129.05 1igr s ILE 2 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.17 1igr s ILE 2 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1igr s ILE 2 CO 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 174.94 174.78 1igr s GLY 4 N 0.03 -0.14 0.00 0.00 0.00 -1.26 0.85 107.32 106.81 1igr s GLY 4 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1igr s GLY 4 CO 0.04 -0.07 0.00 -1.55 0.00 0.00 0.00 173.10 171.53 1igr n PRO 5 N -0.45 2.94 -1.60 2.90 -0.04 -1.26 -4.98 135.00 132.51 1igr n PRO 5 Ca -0.05 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.92 1igr n PRO 5 Cb 0.60 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1igr n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1igr n GLY 6 N 5.00 0.30 3.75 0.55 0.00 -1.26 -4.71 105.19 108.82 1igr n GLY 6 Ca 0.00 0.58 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 1igr n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1igr s ILE 7 N 0.06 5.02 -0.56 -0.61 1.09 -0.33 -4.84 121.20 121.03 1igr s ILE 7 Ca 0.76 1.15 0.04 0.00 -1.10 0.00 0.00 60.65 61.50 1igr s ILE 7 Cb -0.85 -3.89 0.14 0.00 -1.06 0.00 0.00 42.46 36.80 1igr s ILE 7 CO 0.50 0.38 0.32 -0.62 -0.10 0.00 0.00 174.94 175.42 1igr s ASP 8 N 0.10 4.41 0.14 3.58 -1.08 -1.26 -2.19 116.67 120.37 1igr s ASP 8 Ca 0.30 -3.22 -0.18 0.00 -0.52 0.00 0.00 52.55 48.93 1igr s ASP 8 Cb -0.17 -1.62 -0.07 0.00 -1.46 0.00 0.00 42.92 39.60 1igr s ASP 8 CO 0.15 -0.19 0.62 -0.63 0.52 0.00 0.00 175.17 175.64 1igr s ILE 9 N -0.56 4.70 0.00 4.11 -1.09 -0.63 -4.97 121.20 122.75 1igr s ILE 9 Ca 0.19 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1igr s ILE 9 Cb -0.21 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1igr s ILE 9 CO -0.04 0.36 0.00 -2.11 -1.23 0.00 0.00 174.94 171.92 1igr n ARG 10 N 1.15 0.00 0.00 2.79 1.85 -1.26 -2.19 116.66 119.01 1igr n ARG 10 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1igr n ARG 10 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 1igr n ARG 10 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1igr n ASN 11 N 0.00 0.00 -4.03 2.89 3.02 -1.06 -4.76 115.26 111.33 1igr n ASN 11 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1igr n ASN 11 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1igr n ASN 11 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1igr s ASP 12 N 0.00 2.71 0.32 6.41 1.01 -1.26 -4.61 116.67 121.24 1igr s ASP 12 Ca 0.00 -0.49 0.09 0.00 0.71 0.00 0.00 52.55 52.86 1igr s ASP 12 Cb 0.00 -1.20 0.96 0.00 1.01 0.00 0.00 42.92 43.69 1igr s ASP 12 CO 0.00 -0.05 1.52 0.00 0.21 0.00 0.00 175.17 176.85 1igr n TYR 13 N 4.75 0.81 0.10 4.23 9.36 -1.26 0.14 117.16 135.29 1igr n TYR 13 Ca -0.17 1.16 0.05 0.00 3.32 0.00 0.00 57.90 62.26 1igr n TYR 13 Cb 0.50 -1.35 0.29 0.00 -0.63 0.00 0.00 39.34 38.15 1igr n TYR 13 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1igr n GLN 14 N -5.34 0.07 0.22 2.98 6.02 -1.26 0.14 117.38 120.21 1igr n GLN 14 Ca 0.28 0.53 0.15 0.00 -0.01 0.00 0.00 57.00 57.95 1igr n GLN 14 Cb 0.94 -1.84 0.52 0.00 1.02 0.00 0.00 30.24 30.87 1igr n GLN 14 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1igr h GLN 15 N 0.00 0.00 0.00 -1.09 4.20 0.89 -2.38 115.11 116.73 1igr h GLN 15 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1igr h GLN 15 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1igr h GLN 15 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 1igr n LEU 16 N -2.86 0.61 0.17 1.46 4.77 0.12 -1.43 117.00 119.85 1igr n LEU 16 Ca 0.02 0.72 0.14 0.00 -0.03 0.00 0.00 56.01 56.85 1igr n LEU 16 Cb 0.35 -0.71 0.54 0.00 -2.33 0.00 0.00 43.42 41.27 1igr n LEU 16 CO 0.27 -0.76 0.90 0.11 -1.33 0.00 0.00 177.39 176.58 1igr h LYS 17 N 0.00 0.00 0.00 3.23 1.57 -1.62 -2.63 116.57 117.12 1igr h LYS 17 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1igr h LYS 17 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1igr h LYS 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1igr n ARG 18 N -2.49 0.00 -0.03 3.15 1.74 -0.51 -1.54 116.66 116.97 1igr n ARG 18 Ca 0.02 0.49 0.06 0.00 -0.77 0.00 0.00 57.85 57.64 1igr n ARG 18 Cb 0.26 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1igr n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1igr n LEU 19 N -1.49 2.12 0.32 0.55 4.77 -0.99 -4.73 117.00 117.55 1igr n LEU 19 Ca 0.00 -1.13 0.21 0.00 -0.03 0.00 0.00 56.01 55.06 1igr n LEU 19 Cb 0.00 -0.03 1.13 0.00 -2.33 0.00 0.00 43.42 42.19 1igr n LEU 19 CO 0.00 0.42 1.14 1.05 -1.33 0.00 0.00 177.39 178.68 1igr h GLU 20 N 2.30 0.00 0.00 3.23 4.11 -1.45 -2.71 114.58 120.05 1igr h GLU 20 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1igr h GLU 20 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1igr h GLU 20 CO 0.00 0.00 -1.50 0.09 0.07 0.00 0.00 179.01 177.67 1igr n ASN 21 N -2.99 2.57 -4.68 3.06 3.02 -1.26 -4.93 115.26 110.04 1igr n ASN 21 Ca -0.03 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.05 1igr n ASN 21 Cb 0.08 1.44 -0.04 0.00 -0.61 0.00 0.00 39.78 40.64 1igr n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1igr n THR 23 N 5.19 1.25 -4.10 0.00 -2.24 0.45 -2.69 114.28 112.14 1igr n THR 23 Ca 0.22 -0.74 -0.28 0.00 -2.27 0.00 0.00 64.05 60.98 1igr n THR 23 Cb 0.32 -0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 67.78 1igr n THR 23 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1igr s VAL 24 N -2.44 1.30 -0.67 2.28 1.01 -0.92 -1.81 120.40 119.15 1igr s VAL 24 Ca -0.11 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1igr s VAL 24 Cb 0.06 -1.24 0.11 0.00 0.00 0.00 0.00 36.38 35.31 1igr s VAL 24 CO 0.72 0.41 0.81 -0.63 0.00 0.00 0.00 175.10 176.40 1igr s ILE 25 N 1.41 4.81 -1.10 2.22 1.01 -1.09 -0.38 121.20 128.08 1igr s ILE 25 Ca 0.01 -1.14 -0.22 0.00 0.00 0.00 0.00 60.65 59.31 1igr s ILE 25 Cb -0.13 -4.56 0.05 0.00 0.01 0.00 0.00 42.46 37.83 1igr s ILE 25 CO -0.07 -1.22 1.55 -0.70 0.00 0.00 0.00 174.94 174.51 1igr s GLU 26 N 2.63 3.67 0.00 2.79 2.12 0.25 -1.79 118.70 128.38 1igr s GLU 26 Ca 0.16 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.13 1igr s GLU 26 Cb -0.19 -5.41 0.00 0.00 0.26 0.00 0.00 34.13 28.79 1igr s GLU 26 CO 0.03 -2.27 0.00 0.41 -0.54 0.00 0.00 175.26 172.89 1igr n GLY 27 N 6.43 0.55 3.91 -1.50 0.00 -1.26 -4.20 105.19 109.12 1igr n GLY 27 Ca 0.38 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 1igr n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igr s TYR 28 N -3.94 2.20 -0.12 1.61 -0.85 -1.26 -2.21 117.35 112.77 1igr s TYR 28 Ca 0.00 -0.63 -0.00 0.00 -0.52 0.00 0.00 57.07 55.92 1igr s TYR 28 Cb 0.00 -2.11 0.02 0.00 0.38 0.00 0.00 41.96 40.26 1igr s TYR 28 CO 0.00 -0.38 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.38 1igr s LEU 29 N -4.26 1.36 -0.22 -3.49 2.96 -0.65 -1.19 118.68 113.20 1igr s LEU 29 Ca 0.46 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1igr s LEU 29 Cb -0.03 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 1igr s LEU 29 CO 0.28 -0.09 0.00 -1.00 -1.32 0.00 0.00 176.35 174.21 1igr s HIS 30 N 1.62 3.02 -0.48 5.38 3.76 -0.93 -1.93 115.29 125.72 1igr s HIS 30 Ca 0.05 -0.61 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 1igr s HIS 30 Cb -0.13 -2.12 0.12 0.00 1.11 0.00 0.00 32.58 31.56 1igr s HIS 30 CO -0.09 -0.37 0.22 0.42 -0.85 0.00 0.00 174.74 174.07 1igr s ILE 31 N 1.29 2.49 0.27 0.60 1.01 0.13 -1.61 121.20 125.38 1igr s ILE 31 Ca 0.04 -3.11 0.10 0.00 0.00 0.00 0.00 60.65 57.68 1igr s ILE 31 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1igr s ILE 31 CO 0.01 -0.76 -0.04 -1.48 0.00 0.00 0.00 174.94 172.66 1igr s LEU 32 N -0.04 3.05 -1.38 2.97 2.34 -0.93 -1.40 118.68 123.30 1igr s LEU 32 Ca 0.16 -0.75 -0.09 0.00 0.06 0.00 0.00 54.13 53.51 1igr s LEU 32 Cb -0.25 -1.57 0.02 0.00 -0.56 0.00 0.00 46.19 43.83 1igr s LEU 32 CO -0.02 -0.00 1.16 0.18 -1.06 0.00 0.00 176.35 176.61 1igr n LEU 33 N -0.84 -3.33 -4.42 1.48 4.77 -0.89 -2.81 117.00 110.96 1igr n LEU 33 Ca -0.06 -0.55 -0.29 0.00 -0.03 0.00 0.00 56.01 55.08 1igr n LEU 33 Cb 0.59 -3.00 -0.13 0.00 -2.33 0.00 0.00 43.42 38.56 1igr n LEU 33 CO 0.40 0.64 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.92 1igr s ILE 34 N -3.32 2.44 -0.31 -0.08 1.01 -1.20 -2.55 121.20 117.20 1igr s ILE 34 Ca 0.59 -1.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 1igr s ILE 34 Cb -0.26 -2.09 0.10 0.00 0.01 0.00 0.00 42.46 40.22 1igr s ILE 34 CO 0.73 0.10 0.11 -0.55 0.00 0.00 0.00 174.94 175.33 1igr s SER 35 N -2.07 3.87 0.27 3.58 0.15 -1.26 -1.42 113.70 116.83 1igr s SER 35 Ca 0.15 -1.55 -0.29 0.00 0.70 0.00 0.00 55.95 54.96 1igr s SER 35 Cb -0.10 -0.71 -0.10 0.00 -1.71 0.00 0.00 66.02 63.40 1igr s SER 35 CO 0.07 -0.42 1.24 -0.75 1.20 0.00 0.00 173.24 174.58 1igr s LYS 36 N 1.74 4.45 -0.07 5.44 2.20 -0.80 -4.86 119.74 127.84 1igr s LYS 36 Ca 0.10 2.04 -0.25 0.00 -0.36 0.00 0.00 55.97 57.50 1igr s LYS 36 Cb -0.17 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1igr s LYS 36 CO -0.28 -0.08 0.76 0.00 -0.36 0.00 0.00 175.35 175.39 1igr s ALA 37 N -0.75 3.33 0.40 3.13 0.00 -1.26 -4.38 121.76 122.23 1igr s ALA 37 Ca 0.50 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1igr s ALA 37 Cb -0.36 -3.06 0.83 0.00 0.00 0.00 0.00 23.12 20.53 1igr s ALA 37 CO 0.45 -0.20 2.02 1.49 0.00 0.00 0.00 175.76 179.51 1igr h GLU 38 N 6.85 0.60 0.00 0.00 4.57 -1.94 -2.75 114.58 121.91 1igr h GLU 38 Ca -0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1igr h GLU 38 Cb 1.19 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1igr h GLU 38 CO 0.76 0.40 0.00 -0.25 -1.18 0.00 0.00 179.01 178.74 1igr n ASP 39 N -4.47 0.00 -4.46 1.04 9.92 -1.26 -4.73 116.55 112.59 1igr n ASP 39 Ca 0.06 0.48 -0.48 0.00 -0.53 0.00 0.00 54.79 54.32 1igr n ASP 39 Cb 0.15 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.60 1igr n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1igr n TYR 40 N -0.53 0.11 0.00 1.24 -0.00 -1.04 -4.99 117.16 111.94 1igr n TYR 40 Ca 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 57.90 58.80 1igr n TYR 40 Cb 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 39.34 37.28 1igr n TYR 40 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1igr n ARG 41 N 1.01 3.33 -3.87 2.98 5.12 -1.26 -4.65 116.66 119.32 1igr n ARG 41 Ca 0.16 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.99 1igr n ARG 41 Cb 0.26 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.48 1igr n ARG 41 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1igr s SER 42 N -1.39 0.14 0.95 0.55 1.04 -1.26 -4.90 113.70 108.83 1igr s SER 42 Ca 0.00 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.61 1igr s SER 42 Cb 0.00 0.34 0.20 0.00 0.10 0.00 0.00 66.02 66.66 1igr s SER 42 CO 0.00 -0.73 1.30 -0.31 0.98 0.00 0.00 173.24 174.48 1igr s TYR 43 N -3.87 1.46 -0.30 5.02 2.02 -1.26 -5.11 117.35 115.31 1igr s TYR 43 Ca 0.05 0.20 -0.18 0.00 -0.37 0.00 0.00 57.07 56.77 1igr s TYR 43 Cb 0.05 -4.04 0.19 0.00 -0.40 0.00 0.00 41.96 37.76 1igr s TYR 43 CO -0.11 -2.63 1.22 0.50 -1.57 0.00 0.00 175.55 172.97 1igr s ARG 44 N -5.83 0.09 -0.88 -0.62 3.52 -1.26 -4.49 118.95 109.48 1igr s ARG 44 Ca 0.74 0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.55 1igr s ARG 44 Cb -0.03 0.13 0.22 0.00 -1.56 0.00 0.00 34.95 33.70 1igr s ARG 44 CO 0.52 -0.03 0.75 -0.06 -0.81 0.00 0.00 175.30 175.68 1igr s PHE 45 N 2.05 3.88 -1.42 5.12 0.08 0.15 -4.89 117.98 122.94 1igr s PHE 45 Ca -0.01 -3.08 0.10 0.00 0.12 0.00 0.00 56.93 54.06 1igr s PHE 45 Cb -0.02 -3.18 0.50 0.00 -0.57 0.00 0.00 43.02 39.75 1igr s PHE 45 CO -0.16 -0.71 1.20 -0.35 -0.10 0.00 0.00 175.22 175.10 1igr n PRO 46 N 2.25 0.14 0.05 0.24 -0.04 -1.26 -2.10 135.00 134.28 1igr n PRO 46 Ca 0.22 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1igr n PRO 46 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1igr n PRO 46 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1igr h LYS 47 N 0.00 0.07 -6.21 0.54 1.57 -1.90 -3.45 116.57 107.19 1igr h LYS 47 Ca 0.00 -0.12 -0.57 0.00 -1.87 0.00 0.00 60.65 58.09 1igr h LYS 47 Cb 0.09 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1igr h LYS 47 CO 0.00 0.95 1.29 -1.17 -0.57 0.00 0.00 179.45 179.95 1igr s LEU 48 N -6.69 3.71 -0.00 2.94 2.96 -0.89 -4.01 118.68 116.69 1igr s LEU 48 Ca -0.02 1.72 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 1igr s LEU 48 Cb 0.09 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1igr s LEU 48 CO 0.83 -1.57 0.10 0.35 -1.32 0.00 0.00 176.35 174.74 1igr n THR 49 N 7.01 0.00 -3.79 3.68 -2.24 -0.75 -2.49 114.28 115.69 1igr n THR 49 Ca 0.23 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1igr n THR 49 Cb 0.45 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 1igr n THR 49 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1igr s VAL 50 N -1.95 0.03 -0.13 2.28 1.01 -1.11 -0.24 120.40 120.30 1igr s VAL 50 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1igr s VAL 50 Cb 0.02 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1igr s VAL 50 CO 0.15 -0.15 -0.03 -0.63 0.00 0.00 0.00 175.10 174.44 1igr s ILE 51 N -0.57 0.76 -0.96 2.22 1.01 -1.03 -2.68 121.20 119.94 1igr s ILE 51 Ca -0.07 -0.28 0.29 0.00 0.00 0.00 0.00 60.65 60.59 1igr s ILE 51 Cb -0.04 -0.94 0.24 0.00 0.01 0.00 0.00 42.46 41.74 1igr s ILE 51 CO 0.02 0.18 1.90 0.35 0.00 0.00 0.00 174.94 177.39 1igr n THR 52 N 5.01 0.09 0.00 2.92 -2.24 -0.74 -1.83 114.28 117.49 1igr n THR 52 Ca -0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1igr n THR 52 Cb 0.49 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1igr n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1igr n GLU 53 N -1.61 0.00 -4.43 -0.78 1.02 -0.94 -1.70 120.64 112.20 1igr n GLU 53 Ca 0.07 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 1igr n GLU 53 Cb 0.35 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.67 1igr n GLU 53 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1igr s TYR 54 N 1.53 1.94 -0.15 -0.32 -0.85 -1.25 -1.89 117.35 116.36 1igr s TYR 54 Ca 0.00 -0.80 0.02 0.00 -0.52 0.00 0.00 57.07 55.78 1igr s TYR 54 Cb 0.00 -1.17 0.01 0.00 0.38 0.00 0.00 41.96 41.18 1igr s TYR 54 CO 0.00 0.18 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.82 1igr s LEU 55 N -3.45 2.14 -0.10 -3.49 2.96 -1.08 -1.64 118.68 114.01 1igr s LEU 55 Ca 0.32 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1igr s LEU 55 Cb 0.06 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.33 1igr s LEU 55 CO 0.13 0.07 0.04 -0.22 -1.32 0.00 0.00 176.35 175.05 1igr s LEU 56 N 0.88 0.54 -0.24 -0.68 2.96 -0.81 -0.96 118.68 120.37 1igr s LEU 56 Ca -0.05 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1igr s LEU 56 Cb -0.15 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.19 1igr s LEU 56 CO -0.03 -0.26 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.94 1igr s LEU 57 N 2.03 3.12 -0.07 -0.68 1.02 -0.80 -0.70 118.68 122.60 1igr s LEU 57 Ca 0.03 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.51 1igr s LEU 57 Cb -0.14 -1.71 0.03 0.00 0.02 0.00 0.00 46.19 44.39 1igr s LEU 57 CO -0.06 -0.09 -0.02 0.12 0.02 0.00 0.00 176.35 176.32 1igr s PHE 58 N 1.40 0.80 -0.90 0.29 2.19 -0.49 -1.26 117.98 120.00 1igr s PHE 58 Ca 0.03 -0.25 -0.04 0.00 0.33 0.00 0.00 56.93 56.99 1igr s PHE 58 Cb -0.16 -0.83 -0.03 0.00 -1.31 0.00 0.00 43.02 40.69 1igr s PHE 58 CO -0.04 -0.33 0.79 0.54 1.83 0.00 0.00 175.22 178.02 1igr n ARG 59 N 4.90 -1.68 -4.52 10.12 1.74 0.79 -2.10 116.66 125.91 1igr n ARG 59 Ca -0.11 1.11 -0.27 0.00 -0.77 0.00 0.00 57.85 57.81 1igr n ARG 59 Cb 0.50 -5.44 -0.17 0.00 -1.02 0.00 0.00 32.46 26.33 1igr n ARG 59 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1igr s VAL 60 N -3.20 1.30 0.30 1.55 1.01 -1.23 -2.24 120.40 117.89 1igr s VAL 60 Ca 0.22 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1igr s VAL 60 Cb -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1igr s VAL 60 CO 0.77 0.40 0.06 0.00 0.00 0.00 0.00 175.10 176.32 1igr s ALA 61 N 0.85 3.31 0.00 5.51 0.00 -0.51 -2.27 121.76 128.65 1igr s ALA 61 Ca -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1igr s ALA 61 Cb -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1igr s ALA 61 CO 0.01 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1igr n GLY 62 N -1.01 3.10 3.62 0.00 0.00 -1.14 -1.91 105.19 107.86 1igr n GLY 62 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1igr n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1igr s LEU 63 N 0.00 4.02 0.00 0.99 2.96 -1.26 -4.84 118.68 120.56 1igr s LEU 63 Ca 0.00 0.75 0.21 0.00 -0.22 0.00 0.00 54.13 54.88 1igr s LEU 63 Cb 0.00 -3.26 0.47 0.00 0.50 0.00 0.00 46.19 43.90 1igr s LEU 63 CO 0.00 -0.75 1.41 -0.62 -1.32 0.00 0.00 176.35 175.06 1igr n GLU 64 N 6.54 2.54 0.00 1.98 1.02 -1.26 -2.73 120.64 128.73 1igr n GLU 64 Ca 0.07 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1igr n GLU 64 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1igr n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1igr n SER 65 N 1.42 0.00 0.13 1.62 2.88 -1.26 -1.13 113.62 117.27 1igr n SER 65 Ca 0.20 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.74 1igr n SER 65 Cb 0.58 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.10 1igr n SER 65 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1igr h LEU 66 N 0.00 0.00 -1.94 2.46 3.38 -1.30 -2.70 115.31 115.21 1igr h LEU 66 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1igr h LEU 66 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1igr h LEU 66 CO 0.00 0.61 -0.06 1.23 0.09 0.00 0.00 178.44 180.31 1igr h GLY 67 N 3.03 0.00 0.47 0.83 0.00 -1.58 0.13 103.07 105.96 1igr h GLY 67 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.47 1igr h GLY 67 CO 0.08 0.00 0.59 -0.55 0.00 0.00 0.00 176.54 176.66 1igr h ASP 68 N 0.00 0.69 0.00 0.19 3.32 -1.79 -2.57 116.42 116.26 1igr h ASP 68 Ca -0.00 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1igr h ASP 68 Cb 0.36 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1igr h ASP 68 CO 0.01 0.34 -0.98 0.18 -1.72 0.00 0.00 179.24 177.06 1igr n LEU 69 N -4.58 1.87 -3.44 1.55 4.77 -0.28 -4.40 117.00 112.49 1igr n LEU 69 Ca 0.18 0.48 -0.31 0.00 -0.03 0.00 0.00 56.01 56.34 1igr n LEU 69 Cb 0.47 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1igr n LEU 69 CO 0.28 -0.19 0.39 0.49 -1.33 0.00 0.00 177.39 177.04 1igr n PHE 70 N -4.50 3.42 0.00 -1.77 3.01 0.31 -0.67 117.46 117.25 1igr n PHE 70 Ca -0.18 -3.71 0.00 0.00 1.01 0.00 0.00 57.45 54.57 1igr n PHE 70 Cb 0.47 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1igr n PHE 70 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1igr n PRO 71 N 0.63 0.00 -0.01 -1.08 -0.04 -0.97 -1.54 135.00 132.00 1igr n PRO 71 Ca 0.31 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1igr n PRO 71 Cb 0.38 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1igr n PRO 71 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1igr n ASN 72 N -1.32 0.75 -4.70 3.54 3.02 -1.26 -4.43 115.26 110.86 1igr n ASN 72 Ca 0.00 -1.39 -0.42 0.00 -0.03 0.00 0.00 54.58 52.74 1igr n ASN 72 Cb 0.01 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1igr n ASN 72 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1igr s LEU 73 N -0.39 4.39 0.00 3.41 2.96 -0.59 -4.31 118.68 124.16 1igr s LEU 73 Ca 0.00 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 1igr s LEU 73 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1igr s LEU 73 CO 0.00 -0.99 0.00 0.41 -1.32 0.00 0.00 176.35 174.45 1igr n THR 74 N 4.59 0.00 -4.28 3.68 -1.04 0.67 -3.11 114.28 114.79 1igr n THR 74 Ca 0.17 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.99 1igr n THR 74 Cb 0.38 -0.83 -0.15 0.00 -1.82 0.00 0.00 70.33 67.90 1igr n THR 74 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1igr s VAL 75 N -1.97 0.62 -0.36 12.58 1.01 -0.91 -2.00 120.40 129.36 1igr s VAL 75 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1igr s VAL 75 Cb 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 36.38 35.90 1igr s VAL 75 CO 0.00 0.20 0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1igr s ILE 76 N 0.23 3.02 0.20 2.22 1.01 -1.14 -2.45 121.20 124.29 1igr s ILE 76 Ca -0.03 -1.88 0.13 0.00 0.00 0.00 0.00 60.65 58.86 1igr s ILE 76 Cb -0.08 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1igr s ILE 76 CO 0.00 -0.48 1.59 -0.09 0.00 0.00 0.00 174.94 175.96 1igr h ARG 77 N 7.96 0.00 -5.96 2.79 2.43 -1.46 -2.67 114.38 117.47 1igr h ARG 77 Ca -0.14 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.61 1igr h ARG 77 Cb 1.05 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 30.69 1igr h ARG 77 CO 0.61 0.59 -0.71 0.41 -1.51 0.00 0.00 179.97 179.36 1igr n GLY 78 N 0.44 -0.51 0.28 2.80 0.00 -0.79 -2.88 105.19 104.52 1igr n GLY 78 Ca -0.01 0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.40 1igr n GLY 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1igr h TRP 79 N -2.47 0.00 -3.56 1.61 7.01 -1.53 -3.39 115.95 113.62 1igr h TRP 79 Ca -0.58 0.00 -0.23 0.00 2.11 0.00 0.00 58.89 60.19 1igr h TRP 79 Cb 1.37 0.00 -0.29 0.00 -2.10 0.00 0.00 29.16 28.14 1igr h TRP 79 CO 0.51 0.07 -0.66 0.15 -2.79 0.00 0.00 178.44 175.72 1igr s LYS 80 N -3.95 0.05 0.26 2.65 3.01 -1.26 -5.02 119.74 115.47 1igr s LYS 80 Ca -0.02 0.12 0.09 0.00 -1.01 0.00 0.00 55.97 55.15 1igr s LYS 80 Cb 0.11 -0.03 -0.04 0.00 -1.01 0.00 0.00 37.83 36.86 1igr s LYS 80 CO 0.54 -0.04 0.03 -0.51 0.51 0.00 0.00 175.35 175.88 1igr s LEU 81 N 0.28 3.31 -0.96 3.17 1.43 -1.26 -3.78 118.68 120.87 1igr s LEU 81 Ca -0.02 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.33 1igr s LEU 81 Cb -0.03 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.47 1igr s LEU 81 CO -0.01 -0.00 1.18 0.12 0.23 0.00 0.00 176.35 177.88 1igr s PHE 82 N -2.25 3.07 -0.49 0.29 5.36 -0.64 -4.66 117.98 118.65 1igr s PHE 82 Ca 0.31 -1.37 -0.31 0.00 -0.96 0.00 0.00 56.93 54.60 1igr s PHE 82 Cb -0.07 -4.33 0.05 0.00 -0.34 0.00 0.00 43.02 38.32 1igr s PHE 82 CO 0.21 -1.54 0.65 2.48 -1.46 0.00 0.00 175.22 175.56 1igr n TYR 83 N 6.77 -2.77 0.00 10.12 4.11 -1.26 -0.87 117.16 133.27 1igr n TYR 83 Ca 0.26 1.15 0.00 0.00 -0.00 0.00 0.00 57.90 59.31 1igr n TYR 83 Cb 0.49 -2.29 0.00 0.00 -0.00 0.00 0.00 39.34 37.54 1igr n TYR 83 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1igr n ASN 84 N -0.48 0.00 -4.76 9.48 3.02 -1.26 -4.97 115.26 116.29 1igr n ASN 84 Ca -0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.12 1igr n ASN 84 Cb 0.65 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1igr n ASN 84 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1igr s TYR 85 N -1.27 3.41 -0.35 3.10 1.51 -0.05 -0.71 117.35 122.99 1igr s TYR 85 Ca 0.00 0.33 0.23 0.00 -1.01 0.00 0.00 57.07 56.62 1igr s TYR 85 Cb 0.00 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1igr s TYR 85 CO 0.00 0.48 0.98 0.00 -1.11 0.00 0.00 175.55 175.90 1igr n ALA 86 N 2.63 2.86 -3.45 3.71 0.00 0.27 -1.62 120.51 124.89 1igr n ALA 86 Ca -0.18 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.75 1igr n ALA 86 Cb 0.54 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 1igr n ALA 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1igr s LEU 87 N -4.70 -0.14 -0.14 0.00 2.96 -1.08 -2.65 118.68 112.93 1igr s LEU 87 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1igr s LEU 87 Cb 0.12 0.42 -0.00 0.00 0.50 0.00 0.00 46.19 47.23 1igr s LEU 87 CO 0.81 -0.36 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.61 1igr s VAL 88 N 2.34 2.49 -0.37 1.68 1.01 -0.13 -1.15 120.40 126.26 1igr s VAL 88 Ca 0.08 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1igr s VAL 88 Cb -0.15 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.32 1igr s VAL 88 CO -0.22 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 174.92 1igr s ILE 89 N 0.66 1.60 -0.10 2.22 1.01 -0.31 -1.90 121.20 124.38 1igr s ILE 89 Ca -0.09 -2.18 0.04 0.00 0.00 0.00 0.00 60.65 58.42 1igr s ILE 89 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1igr s ILE 89 CO 0.02 -0.72 -0.24 0.12 0.00 0.00 0.00 174.94 174.12 1igr s PHE 90 N 0.88 2.56 -1.28 3.97 5.36 -0.39 -2.17 117.98 126.91 1igr s PHE 90 Ca 0.13 -1.06 -0.00 0.00 -0.96 0.00 0.00 56.93 55.03 1igr s PHE 90 Cb -0.21 -1.71 -0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1igr s PHE 90 CO -0.11 -0.43 0.75 0.39 -1.46 0.00 0.00 175.22 174.36 1igr n GLU 91 N 3.55 -5.05 -3.11 10.12 1.02 -1.20 -0.15 120.64 125.82 1igr n GLU 91 Ca -0.19 0.65 -0.45 0.00 -0.02 0.00 0.00 57.16 57.15 1igr n GLU 91 Cb 0.53 -5.27 -0.02 0.00 -0.02 0.00 0.00 31.44 26.66 1igr n GLU 91 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1igr s MET 92 N -5.86 3.68 0.44 3.49 1.75 -1.26 -3.09 119.30 118.45 1igr s MET 92 Ca 0.02 -2.19 -0.25 0.00 -1.25 0.00 0.00 55.69 52.02 1igr s MET 92 Cb -0.00 -4.72 -0.08 0.00 2.84 0.00 0.00 34.83 32.87 1igr s MET 92 CO 0.80 -1.56 1.27 0.99 -0.65 0.00 0.00 175.02 175.87 1igr s THR 93 N 1.39 2.70 0.00 10.11 2.01 -0.96 -3.08 115.64 127.81 1igr s THR 93 Ca 0.28 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1igr s THR 93 Cb -0.07 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1igr s THR 93 CO -0.08 0.05 0.00 0.59 -0.69 0.00 0.00 174.62 174.49 1igr n ASN 94 N -0.18 0.00 -4.65 3.53 4.13 -1.26 -2.86 115.26 113.96 1igr n ASN 94 Ca 0.06 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.89 1igr n ASN 94 Cb 0.45 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.66 1igr n ASN 94 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1igr s LEU 95 N 0.00 4.23 0.00 3.41 2.96 -1.10 -4.28 118.68 123.90 1igr s LEU 95 Ca 0.00 2.21 0.21 0.00 -0.22 0.00 0.00 54.13 56.33 1igr s LEU 95 Cb 0.00 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 1igr s LEU 95 CO 0.00 -1.06 0.98 0.29 -1.32 0.00 0.00 176.35 175.24 1igr n LYS 96 N 7.38 0.96 -3.62 1.98 5.02 -0.29 -2.95 118.16 126.65 1igr n LYS 96 Ca 0.19 -0.63 -0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1igr n LYS 96 Cb 0.43 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1igr n LYS 96 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1igr s ASP 97 N -2.56 -0.08 -0.10 4.39 1.47 -1.23 -1.86 116.67 116.70 1igr s ASP 97 Ca 0.14 -0.10 -0.27 0.00 1.18 0.00 0.00 52.55 53.50 1igr s ASP 97 Cb 0.17 0.16 -0.23 0.00 -0.34 0.00 0.00 42.92 42.68 1igr s ASP 97 CO 0.64 -0.29 0.92 0.40 0.68 0.00 0.00 175.17 177.52 1igr h ILE 98 N 2.00 1.59 0.00 2.11 2.04 -1.81 -3.34 117.51 120.09 1igr h ILE 98 Ca -0.24 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1igr h ILE 98 Cb 1.19 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 1igr h ILE 98 CO 0.27 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.51 1igr n GLY 99 N 1.13 0.52 3.11 5.37 0.00 -1.26 -1.25 105.19 112.80 1igr n GLY 99 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1igr n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1igr n LEU 100 N 0.00 0.25 0.00 0.99 4.77 -1.26 -3.76 117.00 117.98 1igr n LEU 100 Ca 0.00 -1.06 0.03 0.00 -0.03 0.00 0.00 56.01 54.95 1igr n LEU 100 Cb 0.00 -0.39 0.21 0.00 -2.33 0.00 0.00 43.42 40.91 1igr n LEU 100 CO 0.00 -1.40 0.55 0.00 -1.33 0.00 0.00 177.39 175.22 1igr n TYR 101 N 5.94 0.00 -0.36 -1.77 0.18 -1.26 -0.14 117.16 119.75 1igr n TYR 101 Ca 0.16 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.97 1igr n TYR 101 Cb 0.17 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.16 1igr n TYR 101 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1igr n ASN 102 N -0.63 1.87 -4.62 9.48 3.02 -1.26 -4.77 115.26 118.35 1igr n ASN 102 Ca 0.05 -2.16 -0.43 0.00 -0.03 0.00 0.00 54.58 52.01 1igr n ASN 102 Cb 0.02 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1igr n ASN 102 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1igr s LEU 103 N -1.31 3.83 0.00 3.41 2.96 0.80 -4.20 118.68 124.17 1igr s LEU 103 Ca 0.07 1.35 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 1igr s LEU 103 Cb 0.06 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1igr s LEU 103 CO 0.01 -1.24 0.31 0.54 -1.32 0.00 0.00 176.35 174.65 1igr n ARG 104 N 7.62 3.33 -3.57 1.98 5.12 -0.85 -4.93 116.66 125.36 1igr n ARG 104 Ca 0.17 -0.28 -0.01 0.00 -1.93 0.00 0.00 57.85 55.80 1igr n ARG 104 Cb 0.46 -0.80 -0.05 0.00 -1.16 0.00 0.00 32.46 30.92 1igr n ARG 104 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1igr s ASN 105 N -0.81 -0.91 -0.51 0.55 3.84 -1.14 -4.38 114.94 111.59 1igr s ASN 105 Ca 0.02 1.28 -0.14 0.00 0.21 0.00 0.00 52.86 54.23 1igr s ASN 105 Cb 0.02 1.92 0.12 0.00 -0.55 0.00 0.00 41.25 42.76 1igr s ASN 105 CO 0.07 -0.18 0.44 -0.63 -2.79 0.00 0.00 177.10 174.01 1igr s ILE 106 N 2.50 4.91 0.03 -5.21 1.01 -0.89 -2.90 121.20 120.65 1igr s ILE 106 Ca -0.06 -1.53 0.33 0.00 0.00 0.00 0.00 60.65 59.39 1igr s ILE 106 Cb -0.09 -4.14 0.37 0.00 0.01 0.00 0.00 42.46 38.61 1igr s ILE 106 CO -0.18 -0.80 1.96 0.74 0.00 0.00 0.00 174.94 176.65 1igr h THR 107 N 5.95 0.00 -1.80 2.92 2.02 -1.59 -3.43 112.91 116.98 1igr h THR 107 Ca -0.27 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1igr h THR 107 Cb 1.09 1.37 -0.23 0.00 -1.74 0.00 0.00 68.15 68.65 1igr h THR 107 CO 0.97 0.00 0.31 -0.60 0.37 0.00 0.00 175.52 176.56 1igr s ARG 108 N -3.64 0.72 0.08 6.66 3.52 -1.14 -4.90 118.95 120.27 1igr s ARG 108 Ca 0.01 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 1igr s ARG 108 Cb 0.09 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.83 1igr s ARG 108 CO 0.51 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 1igr n GLY 109 N 2.00 -1.70 0.00 8.12 0.00 -1.26 -4.26 105.19 108.09 1igr n GLY 109 Ca -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1igr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igr n ALA 110 N -1.88 0.00 -2.64 4.61 0.00 0.11 -4.55 120.51 116.16 1igr n ALA 110 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1igr n ALA 110 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 1igr n ALA 110 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1igr s ILE 111 N 0.14 1.12 -0.23 0.00 -4.36 -1.26 0.93 121.20 117.54 1igr s ILE 111 Ca 0.00 -1.42 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1igr s ILE 111 Cb 0.00 -1.18 0.07 0.00 1.25 0.00 0.00 42.46 42.60 1igr s ILE 111 CO 0.00 -0.30 0.04 -0.60 0.24 0.00 0.00 174.94 174.32 1igr s ARG 112 N -2.03 0.76 -0.63 0.37 3.52 -0.30 -1.64 118.95 119.00 1igr s ARG 112 Ca 0.01 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1igr s ARG 112 Cb -0.08 -2.10 0.16 0.00 -1.56 0.00 0.00 34.95 31.37 1igr s ARG 112 CO 0.02 -0.74 0.41 0.42 -0.81 0.00 0.00 175.30 174.60 1igr s ILE 113 N 1.76 3.14 0.15 4.11 1.01 -0.99 -1.16 121.20 129.21 1igr s ILE 113 Ca 0.02 -3.49 0.10 0.00 0.00 0.00 0.00 60.65 57.27 1igr s ILE 113 Cb -0.17 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1igr s ILE 113 CO -0.13 -0.89 -0.18 -0.70 0.00 0.00 0.00 174.94 173.03 1igr s GLU 114 N -0.59 1.75 0.00 2.79 2.12 -0.92 -3.07 118.70 120.78 1igr s GLU 114 Ca 0.20 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.23 1igr s GLU 114 Cb -0.18 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.17 1igr s GLU 114 CO -0.06 0.45 0.00 1.63 -0.54 0.00 0.00 175.26 176.74 1igr n LYS 115 N 0.52 0.00 -3.64 4.30 5.02 -0.86 -3.27 118.16 120.23 1igr n LYS 115 Ca -0.14 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 1igr n LYS 115 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.46 1igr n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1igr n ASN 116 N 0.57 3.69 -0.22 4.39 3.02 -0.83 -3.67 115.26 122.20 1igr n ASN 116 Ca 0.00 -3.30 0.19 0.00 -0.03 0.00 0.00 54.58 51.45 1igr n ASN 116 Cb 0.00 -0.81 0.36 0.00 -0.61 0.00 0.00 39.78 38.72 1igr n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1igr n ALA 117 N 1.58 0.63 -0.52 5.41 0.00 -1.22 0.67 120.51 127.07 1igr n ALA 117 Ca 0.24 0.70 0.08 0.00 0.00 0.00 0.00 53.44 54.45 1igr n ALA 117 Cb 0.37 -0.66 0.24 0.00 0.00 0.00 0.00 19.45 19.40 1igr n ALA 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1igr n ASP 118 N -4.60 3.67 -4.72 0.00 8.00 -1.26 -3.05 116.55 114.58 1igr n ASP 118 Ca 0.24 -2.40 -0.42 0.00 0.71 0.00 0.00 54.79 52.92 1igr n ASP 118 Cb 0.80 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1igr n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1igr s LEU 119 N -1.72 4.39 0.00 0.64 2.96 0.21 -4.40 118.68 120.77 1igr s LEU 119 Ca 0.36 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1igr s LEU 119 Cb 0.24 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1igr s LEU 119 CO 0.16 -0.49 0.00 0.00 -1.32 0.00 0.00 176.35 174.70 1igr n TYR 121 N 0.00 -2.27 -0.06 0.00 4.02 -1.26 -4.38 117.16 113.20 1igr n TYR 121 Ca 0.00 0.88 -0.11 0.00 -0.01 0.00 0.00 57.90 58.65 1igr n TYR 121 Cb 0.00 -3.93 -0.05 0.00 -0.02 0.00 0.00 39.34 35.34 1igr n TYR 121 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1igr n LEU 122 N -4.63 2.01 0.04 7.72 0.00 -1.26 -4.48 117.00 116.40 1igr n LEU 122 Ca 0.04 0.04 0.10 0.00 0.00 0.00 0.00 56.01 56.20 1igr n LEU 122 Cb 0.53 -0.41 0.43 0.00 0.00 0.00 0.00 43.42 43.96 1igr n LEU 122 CO 0.74 0.50 0.82 -1.54 0.00 0.00 0.00 177.39 177.92 1igr n SER 123 N -3.21 0.26 -1.23 1.96 3.41 -1.26 -2.50 113.62 111.05 1igr n SER 123 Ca -0.24 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 58.99 1igr n SER 123 Cb 0.71 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 64.31 1igr n SER 123 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1igr n THR 124 N -1.77 1.33 -4.75 6.66 -2.24 -1.26 -4.90 114.28 107.35 1igr n THR 124 Ca 0.04 -0.85 -0.33 0.00 -2.27 0.00 0.00 64.05 60.65 1igr n THR 124 Cb 0.25 -0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 1igr n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1igr s VAL 125 N -1.78 3.26 -0.85 2.28 1.01 -1.04 -0.58 120.40 122.70 1igr s VAL 125 Ca 0.37 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1igr s VAL 125 Cb 0.24 -2.32 0.22 0.00 0.00 0.00 0.00 36.38 34.51 1igr s VAL 125 CO 0.17 0.54 0.75 -0.62 0.00 0.00 0.00 175.10 175.94 1igr s ASP 126 N -0.93 6.23 0.37 3.32 -1.08 -1.26 -4.87 116.67 118.46 1igr s ASP 126 Ca 0.13 -3.21 0.23 0.00 -0.52 0.00 0.00 52.55 49.18 1igr s ASP 126 Cb -0.11 -2.03 1.28 0.00 -1.46 0.00 0.00 42.92 40.60 1igr s ASP 126 CO 0.02 -0.35 1.71 -0.50 0.52 0.00 0.00 175.17 176.57 1igr h TRP 127 N 6.85 0.00 0.00 -5.34 4.06 -1.96 -0.58 115.95 118.98 1igr h TRP 127 Ca 0.10 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 1igr h TRP 127 Cb 0.92 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1igr h TRP 127 CO 0.81 0.00 -0.18 0.66 -3.56 0.00 0.00 178.44 176.17 1igr h SER 128 N 0.00 0.00 0.22 -3.49 4.64 -1.90 2.60 113.55 115.63 1igr h SER 128 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1igr h SER 128 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1igr h SER 128 CO 0.00 0.18 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.65 1igr h LEU 129 N 0.00 0.28 0.08 5.97 3.38 -1.50 -3.36 115.31 120.15 1igr h LEU 129 Ca -0.00 -0.12 -0.36 0.00 0.09 0.00 0.00 57.88 57.49 1igr h LEU 129 Cb 1.04 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1igr h LEU 129 CO 0.02 0.67 -2.07 -0.38 0.09 0.00 0.00 178.44 176.78 1igr n ILE 130 N -4.02 1.69 -4.53 1.22 5.41 -0.81 -4.86 119.36 113.47 1igr n ILE 130 Ca -0.02 -0.67 -0.22 0.00 1.00 0.00 0.00 62.75 62.84 1igr n ILE 130 Cb 0.49 -1.53 -0.14 0.00 -0.71 0.00 0.00 39.64 37.75 1igr n ILE 130 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1igr s LEU 131 N -6.75 2.13 -0.00 1.39 1.02 0.87 -2.10 118.68 115.23 1igr s LEU 131 Ca -0.22 -0.41 -0.03 0.00 0.02 0.00 0.00 54.13 53.49 1igr s LEU 131 Cb 0.07 -0.74 -0.02 0.00 0.02 0.00 0.00 46.19 45.53 1igr s LEU 131 CO 0.75 0.11 0.58 0.44 0.02 0.00 0.00 176.35 178.25 1igr h ASP 132 N 5.18 -0.09 0.00 2.29 5.19 -1.82 -3.36 116.42 123.81 1igr h ASP 132 Ca -0.38 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.68 1igr h ASP 132 Cb 1.17 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1igr h ASP 132 CO 0.45 -0.03 2.13 0.00 -3.12 0.00 0.00 179.24 178.67 1igr n ALA 133 N -2.10 4.96 0.28 3.45 0.00 -1.26 -4.64 120.51 121.20 1igr n ALA 133 Ca -0.01 -1.97 0.17 0.00 0.00 0.00 0.00 53.44 51.63 1igr n ALA 133 Cb 0.04 -2.87 0.78 0.00 0.00 0.00 0.00 19.45 17.40 1igr n ALA 133 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1igr h VAL 134 N 3.14 0.12 -0.00 0.00 -1.51 -1.91 -2.55 116.25 113.53 1igr h VAL 134 Ca 0.45 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1igr h VAL 134 Cb 0.36 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1igr h VAL 134 CO 1.22 0.04 0.01 0.77 -1.23 0.00 0.00 177.57 178.38 1igr h SER 135 N 0.00 0.00 0.15 4.19 4.64 -1.96 -1.69 113.55 118.88 1igr h SER 135 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1igr h SER 135 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1igr h SER 135 CO 0.00 0.00 -0.27 0.59 -0.87 0.00 0.00 176.83 176.28 1igr n ASN 136 N -3.42 1.36 -4.74 4.97 3.02 -0.96 -4.95 115.26 110.54 1igr n ASN 136 Ca -0.03 -1.13 -0.35 0.00 -0.03 0.00 0.00 54.58 53.05 1igr n ASN 136 Cb 0.09 0.19 0.07 0.00 -0.61 0.00 0.00 39.78 39.52 1igr n ASN 136 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1igr s ASN 137 N -2.43 4.62 -0.32 6.41 -0.87 -0.64 -4.69 114.94 117.02 1igr s ASN 137 Ca 0.24 2.36 0.01 0.00 -1.57 0.00 0.00 52.86 53.91 1igr s ASN 137 Cb 0.19 -2.59 0.10 0.00 -0.02 0.00 0.00 41.25 38.93 1igr s ASN 137 CO 0.51 -1.98 0.08 -0.47 -2.57 0.00 0.00 177.10 172.66 1igr s TYR 138 N -1.83 2.48 -0.10 2.20 5.04 -0.65 -4.98 117.35 119.50 1igr s TYR 138 Ca 0.76 -2.21 0.03 0.00 -2.44 0.00 0.00 57.07 53.21 1igr s TYR 138 Cb -0.30 -2.16 0.01 0.00 0.35 0.00 0.00 41.96 39.86 1igr s TYR 138 CO 0.41 -0.90 -0.18 0.42 -1.34 0.00 0.00 175.55 173.95 1igr s ILE 139 N 1.35 1.67 -0.30 3.14 1.01 -1.26 -2.36 121.20 124.45 1igr s ILE 139 Ca 0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 1igr s ILE 139 Cb -0.18 -1.49 0.19 0.00 0.01 0.00 0.00 42.46 40.99 1igr s ILE 139 CO -0.19 0.47 1.39 0.54 0.00 0.00 0.00 174.94 177.16 1igr s VAL 140 N 0.69 0.00 0.00 2.92 0.11 -1.17 -4.98 120.40 117.96 1igr s VAL 140 Ca -0.12 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1igr s VAL 140 Cb -0.16 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1igr s VAL 140 CO 0.03 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1igr n GLY 141 N 1.79 1.06 1.92 6.54 0.00 -1.26 -2.02 105.19 113.22 1igr n GLY 141 Ca -0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1igr n GLY 141 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1igr n ASN 142 N 0.41 0.90 -4.74 1.61 3.02 -1.26 -1.97 115.26 113.23 1igr n ASN 142 Ca 0.00 -1.69 -0.40 0.00 -0.03 0.00 0.00 54.58 52.46 1igr n ASN 142 Cb 0.02 -0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1igr n ASN 142 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1igr s LYS 143 N -3.45 4.77 -0.05 3.52 2.20 -1.17 -4.76 119.74 120.80 1igr s LYS 143 Ca 0.31 1.52 -0.30 0.00 -0.36 0.00 0.00 55.97 57.14 1igr s LYS 143 Cb -0.02 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1igr s LYS 143 CO 0.20 0.36 1.33 -2.14 -0.36 0.00 0.00 175.35 174.73 1igr s PRO 144 N -0.74 4.29 0.35 4.03 0.02 -1.26 -4.79 135.00 136.91 1igr s PRO 144 Ca 0.44 1.83 0.17 0.00 0.02 0.00 0.00 61.00 63.45 1igr s PRO 144 Cb -0.26 -3.62 1.18 0.00 0.02 0.00 0.00 34.50 31.82 1igr s PRO 144 CO 0.32 -0.57 1.62 -1.35 -0.33 0.00 0.00 177.00 176.70 1igr h PRO 145 N 7.87 0.17 -0.61 5.54 0.11 -1.94 0.56 132.00 143.69 1igr h PRO 145 Ca -0.35 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 1igr h PRO 145 Cb 1.16 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1igr h PRO 145 CO 0.91 0.11 0.03 -0.22 -0.21 0.00 0.00 178.00 178.62 1igr h LYS 146 N 0.17 1.06 0.00 1.05 3.64 -2.01 -0.52 116.57 119.96 1igr h LYS 146 Ca 0.77 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1igr h LYS 146 Cb 1.89 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.59 1igr h LYS 146 CO -0.69 1.02 -0.59 0.93 -2.27 0.00 0.00 179.45 177.86 1igr h GLU 147 N 0.97 0.00 0.14 1.90 5.08 -0.35 -3.33 114.58 118.98 1igr h GLU 147 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1igr h GLU 147 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1igr h GLU 147 CO 0.03 0.59 -0.07 0.00 -1.00 0.00 0.00 179.01 178.56 1igr n GLY 149 N -0.74 -0.27 3.77 0.00 0.00 -0.24 -4.93 105.19 102.78 1igr n GLY 149 Ca -0.09 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1igr n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1igr s ASP 150 N -3.68 6.14 -0.07 1.61 1.01 -1.26 -5.01 116.67 115.41 1igr s ASP 150 Ca 0.26 2.54 -0.01 0.00 0.71 0.00 0.00 52.55 56.05 1igr s ASP 150 Cb -0.11 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.22 1igr s ASP 150 CO 0.61 -0.95 -0.00 -0.76 0.21 0.00 0.00 175.17 174.28 1igr s LEU 151 N -2.76 0.63 0.77 1.23 1.43 -1.26 -5.11 118.68 113.61 1igr s LEU 151 Ca 0.61 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1igr s LEU 151 Cb -0.35 -0.44 0.05 0.00 0.03 0.00 0.00 46.19 45.48 1igr s LEU 151 CO 0.44 -0.19 1.09 0.00 0.23 0.00 0.00 176.35 177.92 1igr n PRO 153 N -3.48 1.13 0.00 0.00 -0.02 -1.03 -1.71 135.00 129.89 1igr n PRO 153 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1igr n PRO 153 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1igr n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1igr n GLY 154 N 3.05 2.97 0.29 -1.23 0.00 -1.26 -1.68 105.19 107.33 1igr n GLY 154 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1igr n GLY 154 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1igr h THR 155 N 0.00 0.67 -0.07 2.61 2.02 -1.57 -1.35 112.91 115.22 1igr h THR 155 Ca 0.00 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.84 1igr h THR 155 Cb 0.00 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1igr h THR 155 CO 0.00 0.09 -0.61 0.24 0.37 0.00 0.00 175.52 175.61 1igr h MET 156 N 0.51 0.54 0.00 6.66 2.86 -1.92 -3.38 114.93 120.20 1igr h MET 156 Ca 0.45 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1igr h MET 156 Cb 0.68 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1igr h MET 156 CO -0.40 1.11 0.00 0.39 1.06 0.00 0.00 176.91 179.08 1igr n GLU 157 N -4.16 0.00 0.00 1.72 1.02 -0.92 -5.01 120.64 113.29 1igr n GLU 157 Ca -0.09 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1igr n GLU 157 Cb 0.66 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 1igr n GLU 157 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1igr n GLU 158 N -1.13 0.00 -2.86 3.49 4.07 -0.56 -5.08 120.64 118.58 1igr n GLU 158 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1igr n GLU 158 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1igr n GLU 158 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1igr n LYS 159 N 0.00 0.62 -1.62 5.31 3.00 -1.08 -5.05 118.16 119.34 1igr n LYS 159 Ca 0.00 -2.13 -0.51 0.00 -0.00 0.00 0.00 58.31 55.67 1igr n LYS 159 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 35.03 33.51 1igr n LYS 159 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1igr n PRO 160 N 2.27 1.41 -0.01 1.64 -0.04 -1.26 -4.09 135.00 134.91 1igr n PRO 160 Ca 0.16 0.51 0.10 0.00 -0.04 0.00 0.00 63.50 64.23 1igr n PRO 160 Cb 0.58 -2.19 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 1igr n PRO 160 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1igr n MET 161 N 2.99 0.61 -2.94 0.54 2.81 -0.68 -4.96 117.12 115.49 1igr n MET 161 Ca 0.19 -0.17 -0.32 0.00 -1.81 0.00 0.00 57.70 55.58 1igr n MET 161 Cb 0.21 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1igr n MET 161 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1igr s GLU 163 N -3.35 0.95 -0.05 0.00 2.02 -1.26 -4.79 118.70 112.21 1igr s GLU 163 Ca 0.55 0.81 0.05 0.00 0.02 0.00 0.00 54.97 56.40 1igr s GLU 163 Cb -0.10 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 1igr s GLU 163 CO 0.22 -2.45 -0.21 0.15 0.02 0.00 0.00 175.26 172.99 1igr s LYS 164 N -4.89 2.17 0.37 1.61 1.02 -1.26 -0.84 119.74 117.92 1igr s LYS 164 Ca 0.64 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.91 1igr s LYS 164 Cb -0.19 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1igr s LYS 164 CO 0.58 0.31 0.09 0.95 -0.92 0.00 0.00 175.35 176.36 1igr s THR 165 N -0.05 0.89 -0.13 2.17 -4.23 -0.42 -4.92 115.64 108.94 1igr s THR 165 Ca -0.04 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1igr s THR 165 Cb -0.13 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 1igr s THR 165 CO 0.03 0.00 -0.12 0.42 -0.54 0.00 0.00 174.62 174.41 1igr s THR 166 N -3.27 3.18 -0.07 3.99 -4.23 -1.26 -1.40 115.64 112.58 1igr s THR 166 Ca 0.30 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 1igr s THR 166 Cb 0.06 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.57 1igr s THR 166 CO 0.14 0.52 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.99 1igr s ILE 167 N 0.34 1.15 -1.50 2.99 1.01 -0.16 -4.80 121.20 120.24 1igr s ILE 167 Ca -0.10 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1igr s ILE 167 Cb -0.16 -1.06 0.07 0.00 0.01 0.00 0.00 42.46 41.32 1igr s ILE 167 CO 0.05 0.36 0.82 -3.20 0.00 0.00 0.00 174.94 172.97 1igr n ASN 168 N 3.88 -3.19 -3.84 3.58 4.05 -1.26 -2.35 115.26 116.12 1igr n ASN 168 Ca -0.22 -0.85 -0.26 0.00 0.45 0.00 0.00 54.58 53.70 1igr n ASN 168 Cb 0.52 -3.64 0.02 0.00 1.23 0.00 0.00 39.78 37.91 1igr n ASN 168 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1igr n ASN 169 N -2.87 -2.43 -3.76 1.20 3.02 -1.26 -4.99 115.26 104.17 1igr n ASN 169 Ca -0.07 -0.84 -0.23 0.00 -0.03 0.00 0.00 54.58 53.41 1igr n ASN 169 Cb 0.57 -3.78 -0.18 0.00 -0.61 0.00 0.00 39.78 35.78 1igr n ASN 169 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1igr s GLU 170 N -6.34 0.52 -0.49 3.52 2.12 -0.99 -5.11 118.70 111.93 1igr s GLU 170 Ca 0.27 0.12 -0.17 0.00 0.36 0.00 0.00 54.97 55.55 1igr s GLU 170 Cb -0.14 -0.97 0.07 0.00 0.26 0.00 0.00 34.13 33.35 1igr s GLU 170 CO 0.84 -0.32 0.49 -0.47 -0.54 0.00 0.00 175.26 175.25 1igr s TYR 171 N 1.99 3.17 0.28 5.30 5.04 -1.26 -0.99 117.35 130.89 1igr s TYR 171 Ca 0.05 -0.83 -0.06 0.00 -2.44 0.00 0.00 57.07 53.79 1igr s TYR 171 Cb -0.12 -3.37 -0.01 0.00 0.35 0.00 0.00 41.96 38.81 1igr s TYR 171 CO -0.05 -0.91 0.41 1.21 -1.34 0.00 0.00 175.55 174.87 1igr s ASN 172 N 2.74 0.43 0.12 4.32 3.84 -0.49 -4.96 114.94 120.94 1igr s ASN 172 Ca 0.08 -1.27 -0.31 0.00 0.21 0.00 0.00 52.86 51.57 1igr s ASN 172 Cb -0.23 0.59 -0.08 0.00 -0.55 0.00 0.00 41.25 40.97 1igr s ASN 172 CO 0.08 -1.16 1.43 -0.31 -2.79 0.00 0.00 177.10 174.35 1igr s TYR 173 N -3.60 3.20 -0.19 0.43 1.51 -1.26 -1.30 117.35 116.14 1igr s TYR 173 Ca 0.29 0.88 -0.09 0.00 -1.01 0.00 0.00 57.07 57.14 1igr s TYR 173 Cb 0.01 -3.73 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1igr s TYR 173 CO 0.15 -2.60 0.11 1.03 -1.11 0.00 0.00 175.55 173.13 1igr s ARG 174 N 1.14 4.07 0.05 -0.62 1.81 -0.02 -4.83 118.95 120.54 1igr s ARG 174 Ca 0.66 -0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 54.15 1igr s ARG 174 Cb -0.38 -3.34 0.08 0.00 -0.45 0.00 0.00 34.95 30.86 1igr s ARG 174 CO 0.30 0.33 0.73 0.00 -0.68 0.00 0.00 175.30 175.98 1igr n TRP 176 N 0.01 0.49 -4.00 0.00 7.02 0.26 -4.25 117.44 116.97 1igr n TRP 176 Ca -0.15 0.16 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 1igr n TRP 176 Cb 0.62 -0.89 -0.03 0.00 -2.42 0.00 0.00 31.31 28.59 1igr n TRP 176 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1igr s THR 177 N -3.05 0.00 0.42 -0.99 2.01 -0.19 -4.36 115.64 109.49 1igr s THR 177 Ca -0.06 -1.41 0.15 0.00 0.31 0.00 0.00 61.69 60.68 1igr s THR 177 Cb 0.10 -2.53 0.35 0.00 0.01 0.00 0.00 72.50 70.43 1igr s THR 177 CO 0.84 0.00 1.92 0.74 -0.69 0.00 0.00 174.62 177.43 1igr h THR 178 N 2.14 0.80 -0.02 -0.82 2.02 -1.94 -2.83 112.91 112.27 1igr h THR 178 Ca -0.28 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1igr h THR 178 Cb 1.25 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1igr h THR 178 CO 0.38 0.08 0.00 0.59 0.37 0.00 0.00 175.52 176.94 1igr n ASN 179 N -4.48 2.19 -3.84 4.18 3.02 -1.26 -2.47 115.26 112.60 1igr n ASN 179 Ca 0.14 -1.59 -0.21 0.00 -0.03 0.00 0.00 54.58 52.89 1igr n ASN 179 Cb 0.52 -0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.53 1igr n ASN 179 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1igr s ARG 180 N -1.19 0.69 0.44 3.52 0.52 -1.07 -4.85 118.95 117.01 1igr s ARG 180 Ca 0.17 -0.00 -0.11 0.00 -0.52 0.00 0.00 55.73 55.26 1igr s ARG 180 Cb 0.12 -0.87 -0.06 0.00 0.52 0.00 0.00 34.95 34.66 1igr s ARG 180 CO 0.18 -0.18 0.82 0.00 0.02 0.00 0.00 175.30 176.14 1igr s GLN 182 N -3.97 4.69 0.12 0.00 0.74 -1.04 -4.46 119.66 115.74 1igr s GLN 182 Ca 0.53 1.34 -0.21 0.00 0.05 0.00 0.00 55.36 57.06 1igr s GLN 182 Cb -0.10 -3.31 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 1igr s GLN 182 CO 0.33 0.42 0.65 0.15 -0.55 0.00 0.00 175.29 176.29 1igr s LYS 183 N -0.71 4.31 0.28 1.67 1.02 -1.26 -4.79 119.74 120.25 1igr s LYS 183 Ca 0.41 0.87 0.05 0.00 0.02 0.00 0.00 55.97 57.32 1igr s LYS 183 Cb -0.24 -3.20 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1igr s LYS 183 CO 0.29 0.59 -0.01 -1.64 -0.92 0.00 0.00 175.35 173.65 1igr s MET 184 N -1.24 1.53 0.21 1.68 -1.94 -1.26 -5.07 119.30 113.19 1igr s MET 184 Ca 0.33 -1.79 0.10 0.00 -1.71 0.00 0.00 55.69 52.61 1igr s MET 184 Cb -0.20 -0.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 1igr s MET 184 CO 0.22 -0.05 -0.12 0.00 -0.01 0.00 0.00 175.02 175.06 1igr n PRO 186 N -0.13 2.65 -0.34 0.00 -0.04 -1.26 -4.83 135.00 131.04 1igr n PRO 186 Ca -0.10 0.95 0.22 0.00 -0.04 0.00 0.00 63.50 64.53 1igr n PRO 186 Cb 0.56 -2.73 0.46 0.00 -0.04 0.00 0.00 33.50 31.75 1igr n PRO 186 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1igr h SER 187 N 5.24 0.54 -0.85 3.54 4.64 -1.98 0.51 113.55 125.20 1igr h SER 187 Ca -0.46 0.14 0.14 0.00 -0.47 0.00 0.00 61.79 61.14 1igr h SER 187 Cb 1.22 0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1igr h SER 187 CO 0.83 0.02 -0.29 0.41 -0.87 0.00 0.00 176.83 176.93 1igr n THR 188 N -4.84 -0.41 0.24 2.95 -1.04 -1.26 -0.53 114.28 109.38 1igr n THR 188 Ca 0.29 1.97 0.17 0.00 -2.04 0.00 0.00 64.05 64.43 1igr n THR 188 Cb 0.90 -2.64 0.87 0.00 -1.82 0.00 0.00 70.33 67.63 1igr n THR 188 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1igr n GLY 190 N -1.37 0.66 0.92 0.00 0.00 0.30 -2.44 105.19 103.27 1igr n GLY 190 Ca -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.41 1igr n GLY 190 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1igr n LYS 191 N 12.23 2.30 -3.85 1.61 5.02 -1.26 -4.90 118.16 129.32 1igr n LYS 191 Ca 0.00 -1.14 -0.21 0.00 -2.02 0.00 0.00 58.31 54.94 1igr n LYS 191 Cb 0.00 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 1igr n LYS 191 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1igr s ARG 192 N -1.65 3.17 0.92 1.97 0.52 -1.02 -5.11 118.95 117.74 1igr s ARG 192 Ca 0.20 -0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 1igr s ARG 192 Cb 0.14 -2.76 0.16 0.00 0.52 0.00 0.00 34.95 33.02 1igr s ARG 192 CO 0.07 0.29 1.28 0.00 0.02 0.00 0.00 175.30 176.96 1igr s ALA 193 N -2.10 2.35 0.18 2.13 0.00 -1.26 -4.88 121.76 118.18 1igr s ALA 193 Ca 0.38 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1igr s ALA 193 Cb -0.09 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1igr s ALA 193 CO 0.28 -2.21 0.38 0.00 0.00 0.00 0.00 175.76 174.21 1igr n THR 195 N -0.27 0.00 0.24 0.00 -1.04 0.20 -4.15 114.28 109.25 1igr n THR 195 Ca -0.07 -0.39 0.10 0.00 -2.04 0.00 0.00 64.05 61.65 1igr n THR 195 Cb 0.63 -1.59 0.58 0.00 -1.82 0.00 0.00 70.33 68.13 1igr n THR 195 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1igr h GLU 196 N 0.00 0.00 -0.91 -2.82 4.22 -1.90 -1.61 114.58 111.57 1igr h GLU 196 Ca -0.20 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.66 1igr h GLU 196 Cb 0.55 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.50 1igr h GLU 196 CO 0.13 0.20 0.50 0.09 -2.18 0.00 0.00 179.01 177.76 1igr n ASN 197 N -3.66 6.04 -4.04 1.04 5.03 -1.26 -4.93 115.26 113.48 1igr n ASN 197 Ca -0.01 -3.75 -0.27 0.00 0.87 0.00 0.00 54.58 51.42 1igr n ASN 197 Cb 0.32 -0.83 -0.04 0.00 -1.02 0.00 0.00 39.78 38.22 1igr n ASN 197 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1igr n ASN 198 N -0.96 -0.14 -4.43 6.41 3.02 -0.60 -4.92 115.26 113.64 1igr n ASN 198 Ca 0.57 -1.06 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 1igr n ASN 198 Cb 0.94 -2.74 -0.13 0.00 -0.61 0.00 0.00 39.78 37.25 1igr n ASN 198 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1igr s GLU 199 N -6.74 3.55 0.66 3.52 2.12 -1.25 -4.74 118.70 115.82 1igr s GLU 199 Ca 0.03 -0.57 -0.17 0.00 0.36 0.00 0.00 54.97 54.62 1igr s GLU 199 Cb -0.02 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 1igr s GLU 199 CO 0.91 0.09 0.86 0.00 -0.54 0.00 0.00 175.26 176.59 1igr s HIS 202 N -2.58 2.14 -0.52 0.00 2.46 -1.26 -4.43 115.29 111.10 1igr s HIS 202 Ca 0.58 1.63 0.19 0.00 0.47 0.00 0.00 55.06 57.93 1igr s HIS 202 Cb -0.07 -3.32 0.88 0.00 -0.13 0.00 0.00 32.58 29.94 1igr s HIS 202 CO 0.36 -2.36 1.58 -0.35 -2.47 0.00 0.00 174.74 171.50 1igr n PRO 203 N -3.13 0.13 0.03 2.88 -0.04 -1.26 -1.18 135.00 132.43 1igr n PRO 203 Ca 0.12 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1igr n PRO 203 Cb 0.51 -1.81 0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1igr n PRO 203 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1igr n GLU 204 N -2.06 0.24 -2.50 0.54 -0.58 -1.26 -4.90 120.64 110.11 1igr n GLU 204 Ca 0.01 0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 1igr n GLU 204 Cb 0.13 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 1igr n GLU 204 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1igr s LEU 206 N 0.72 2.92 0.00 0.00 2.96 0.27 -4.42 118.68 121.13 1igr s LEU 206 Ca 0.55 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1igr s LEU 206 Cb -0.28 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1igr s LEU 206 CO 0.30 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 176.25 1igr n GLY 207 N 2.59 1.90 2.70 7.98 0.00 -1.26 -2.85 105.19 116.26 1igr n GLY 207 Ca -0.18 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.34 1igr n GLY 207 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1igr n SER 208 N 4.02 -0.69 -3.57 1.61 2.88 -1.26 -4.70 113.62 111.91 1igr n SER 208 Ca 0.00 -1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 56.41 1igr n SER 208 Cb 0.00 1.04 -0.02 0.00 -0.75 0.00 0.00 64.21 64.48 1igr n SER 208 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1igr h SER 210 N 2.00 0.00 -4.07 0.00 4.64 -0.81 -3.42 113.55 111.89 1igr h SER 210 Ca -0.28 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.88 1igr h SER 210 Cb 1.28 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.13 1igr h SER 210 CO 0.32 0.92 -0.44 0.00 -0.87 0.00 0.00 176.83 176.76 1igr s ALA 211 N -2.67 -0.54 1.07 5.18 0.00 -1.26 -5.01 121.76 118.52 1igr s ALA 211 Ca -0.04 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 1igr s ALA 211 Cb 0.08 -0.27 0.23 0.00 0.00 0.00 0.00 23.12 23.16 1igr s ALA 211 CO 0.82 -0.13 1.13 -1.25 0.00 0.00 0.00 175.76 176.32 1igr s PRO 212 N -0.21 -0.17 0.00 0.00 0.04 -1.26 -3.79 135.00 129.61 1igr s PRO 212 Ca -0.03 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1igr s PRO 212 Cb -0.03 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1igr s PRO 212 CO 0.01 -3.05 0.00 -0.40 0.04 0.00 0.00 177.00 173.60 1igr n ASP 213 N -4.33 0.00 -4.22 6.66 5.75 -0.95 -4.78 116.55 114.67 1igr n ASP 213 Ca 0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.54 1igr n ASP 213 Cb 0.59 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 40.11 1igr n ASP 213 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1igr s ASN 214 N -0.76 3.56 0.00 -1.12 3.84 -1.25 -4.73 114.94 114.49 1igr s ASN 214 Ca 0.00 -0.52 0.21 0.00 0.21 0.00 0.00 52.86 52.77 1igr s ASN 214 Cb 0.00 -1.56 1.15 0.00 -0.55 0.00 0.00 41.25 40.29 1igr s ASN 214 CO 0.00 0.05 1.76 -0.90 -2.79 0.00 0.00 177.10 175.21 1igr n ASP 215 N 4.32 0.39 -0.37 -4.21 3.85 -1.26 -1.33 116.55 117.94 1igr n ASP 215 Ca -0.20 -1.42 0.05 0.00 -0.71 0.00 0.00 54.79 52.52 1igr n ASP 215 Cb 0.51 -0.02 0.03 0.00 -1.35 0.00 0.00 41.12 40.29 1igr n ASP 215 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1igr n THR 216 N -0.56 0.00 -0.16 2.12 -2.24 -1.26 -2.57 114.28 109.61 1igr n THR 216 Ca 0.16 -0.47 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1igr n THR 216 Cb 0.14 1.19 0.26 0.00 -2.10 0.00 0.00 70.33 69.81 1igr n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1igr n ALA 217 N 0.35 2.35 -0.73 6.98 0.00 -0.44 -4.98 120.51 124.03 1igr n ALA 217 Ca 0.06 -1.18 -0.32 0.00 0.00 0.00 0.00 53.44 51.99 1igr n ALA 217 Cb 0.25 -0.80 0.15 0.00 0.00 0.00 0.00 19.45 19.05 1igr n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1igr n VAL 219 N -3.93 0.00 -3.92 0.00 0.31 -0.14 -4.72 118.33 105.93 1igr n VAL 219 Ca 0.07 -0.40 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 1igr n VAL 219 Cb 0.54 0.12 -0.03 0.00 -0.91 0.00 0.00 33.84 33.57 1igr n VAL 219 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1igr s ALA 220 N -3.22 -0.65 -0.16 3.52 0.00 -1.13 -4.95 121.76 115.17 1igr s ALA 220 Ca -0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1igr s ALA 220 Cb 0.11 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.14 1igr s ALA 220 CO 0.74 -0.95 -0.03 0.00 0.00 0.00 0.00 175.76 175.53 1igr h ARG 222 N 6.83 0.02 0.00 0.00 2.43 -1.52 -3.42 114.38 118.72 1igr h ARG 222 Ca -0.32 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1igr h ARG 222 Cb 1.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1igr h ARG 222 CO 0.63 0.01 0.00 0.72 -1.51 0.00 0.00 179.97 179.82 1igr n HIS 223 N -5.52 0.00 -4.29 2.20 8.25 -1.26 -5.03 115.22 109.57 1igr n HIS 223 Ca 0.17 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.29 1igr n HIS 223 Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 1igr n HIS 223 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1igr s TYR 224 N 2.45 3.18 0.08 4.41 1.51 -0.95 -4.71 117.35 123.31 1igr s TYR 224 Ca 0.00 0.12 -0.16 0.00 -1.01 0.00 0.00 57.07 56.02 1igr s TYR 224 Cb 0.00 -1.87 -0.06 0.00 -0.11 0.00 0.00 41.96 39.91 1igr s TYR 224 CO 0.00 0.36 0.51 -0.47 -1.11 0.00 0.00 175.55 174.84 1igr s TYR 225 N -0.49 3.71 -0.30 2.71 5.04 -0.38 0.57 117.35 128.22 1igr s TYR 225 Ca 0.09 1.11 -0.08 0.00 -2.44 0.00 0.00 57.07 55.75 1igr s TYR 225 Cb -0.12 -2.39 0.16 0.00 0.35 0.00 0.00 41.96 39.97 1igr s TYR 225 CO 0.02 0.55 0.76 -0.47 -1.34 0.00 0.00 175.55 175.07 1igr s TYR 226 N -1.23 -1.18 -1.22 4.97 6.04 -0.44 -1.67 117.35 122.62 1igr s TYR 226 Ca 0.31 1.63 -0.06 0.00 0.04 0.00 0.00 57.07 58.99 1igr s TYR 226 Cb -0.17 0.56 -0.01 0.00 -1.04 0.00 0.00 41.96 41.29 1igr s TYR 226 CO 0.18 -0.62 0.76 0.00 -1.54 0.00 0.00 175.55 174.33 1igr n ALA 227 N 5.35 -2.22 -1.00 3.97 0.00 -1.26 -0.47 120.51 124.88 1igr n ALA 227 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1igr n ALA 227 Cb 0.51 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.87 1igr n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1igr n GLY 228 N -1.54 0.25 2.99 0.00 0.00 -1.26 -4.99 105.19 100.64 1igr n GLY 228 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1igr n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igr s VAL 229 N -1.50 0.98 -0.48 1.61 1.01 0.38 -4.54 120.40 117.86 1igr s VAL 229 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1igr s VAL 229 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1igr s VAL 229 CO 0.00 0.32 1.72 0.00 0.00 0.00 0.00 175.10 177.15 1igr s VAL 231 N 7.46 5.21 -0.63 0.00 1.01 0.19 -4.89 120.40 128.75 1igr s VAL 231 Ca 0.69 -0.69 0.24 0.00 0.00 0.00 0.00 61.98 62.23 1igr s VAL 231 Cb -0.16 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1igr s VAL 231 CO 0.27 -0.05 1.37 1.55 0.00 0.00 0.00 175.10 178.24 1igr h PRO 232 N 2.36 0.00 -3.05 2.72 0.13 -1.93 -2.53 132.00 129.69 1igr h PRO 232 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1igr h PRO 232 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1igr h PRO 232 CO 0.69 0.00 0.19 0.00 -0.23 0.00 0.00 178.00 178.65 1igr s ALA 233 N -3.17 -1.27 0.26 -0.56 0.00 -1.26 -4.73 121.76 111.03 1igr s ALA 233 Ca 0.06 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 1igr s ALA 233 Cb 0.13 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 24.03 1igr s ALA 233 CO 0.71 -0.93 0.97 0.00 0.00 0.00 0.00 175.76 176.51 1igr s PRO 235 N -1.35 2.97 0.42 0.00 0.04 -1.26 -4.87 135.00 130.94 1igr s PRO 235 Ca 0.43 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1igr s PRO 235 Cb -0.26 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 1igr s PRO 235 CO 0.33 -1.22 0.39 -2.30 0.04 0.00 0.00 177.00 174.24 1igr n PRO 236 N -1.55 0.36 -1.15 0.56 -0.02 -1.26 -1.56 135.00 130.37 1igr n PRO 236 Ca 0.14 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 1igr n PRO 236 Cb 0.49 -1.34 -0.03 0.00 -0.02 0.00 0.00 33.50 32.60 1igr n PRO 236 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1igr n ASN 237 N 1.61 -5.30 -4.24 2.55 5.03 -1.26 -4.99 115.26 108.66 1igr n ASN 237 Ca 0.11 0.18 -0.22 0.00 0.87 0.00 0.00 54.58 55.52 1igr n ASN 237 Cb 0.40 -3.71 -0.13 0.00 -1.02 0.00 0.00 39.78 35.33 1igr n ASN 237 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1igr s THR 238 N -1.56 1.47 0.04 3.41 -4.23 -0.60 -4.49 115.64 109.69 1igr s THR 238 Ca 0.00 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1igr s THR 238 Cb 0.00 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 1igr s THR 238 CO 0.00 -0.09 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.58 1igr s TYR 239 N -1.14 0.90 0.31 3.99 1.51 0.22 -4.73 117.35 118.40 1igr s TYR 239 Ca 0.03 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1igr s TYR 239 Cb -0.10 -0.53 -0.10 0.00 -0.11 0.00 0.00 41.96 41.12 1igr s TYR 239 CO 0.03 -0.02 1.36 1.03 -1.11 0.00 0.00 175.55 176.85 1igr s ARG 240 N -1.32 4.30 -0.03 -0.62 0.52 -0.77 0.02 118.95 121.05 1igr s ARG 240 Ca -0.04 2.28 -0.01 0.00 -0.52 0.00 0.00 55.73 57.44 1igr s ARG 240 Cb -0.08 -3.07 0.03 0.00 0.52 0.00 0.00 34.95 32.34 1igr s ARG 240 CO 0.01 -0.29 0.02 0.12 0.02 0.00 0.00 175.30 175.18 1igr s PHE 241 N -0.82 0.22 -1.51 -0.53 5.36 0.11 -1.20 117.98 119.60 1igr s PHE 241 Ca 0.52 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.57 1igr s PHE 241 Cb -0.41 -0.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.84 1igr s PHE 241 CO 0.51 -0.16 0.00 0.39 -1.46 0.00 0.00 175.22 174.50 1igr n GLU 242 N 4.58 -1.37 -0.88 10.12 -0.58 -1.26 -3.15 120.64 128.10 1igr n GLU 242 Ca -0.18 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1igr n GLU 242 Cb 0.50 -5.31 0.00 0.00 -0.57 0.00 0.00 31.44 26.06 1igr n GLU 242 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1igr n GLY 243 N -1.00 0.12 0.00 0.62 0.00 -1.26 -4.79 105.19 98.88 1igr n GLY 243 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1igr n GLY 243 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1igr n TRP 244 N -2.13 0.00 -3.50 1.61 4.27 -1.19 -4.92 117.44 111.58 1igr n TRP 244 Ca 0.00 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.46 1igr n TRP 244 Cb 0.29 0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.20 1igr n TRP 244 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 1igr s ARG 245 N 0.00 1.13 -0.12 -2.67 1.70 -1.22 -1.24 118.95 116.52 1igr s ARG 245 Ca 0.00 -0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 55.09 1igr s ARG 245 Cb 0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 1igr s ARG 245 CO 0.00 -0.42 0.03 0.00 -1.08 0.00 0.00 175.30 173.83 1igr s VAL 247 N -0.44 0.61 0.60 0.00 -7.23 0.10 -4.78 120.40 109.26 1igr s VAL 247 Ca 0.09 -0.30 -0.08 0.00 -1.81 0.00 0.00 61.98 59.88 1igr s VAL 247 Cb -0.12 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 1igr s VAL 247 CO 0.02 0.18 0.94 1.51 -0.31 0.00 0.00 175.10 177.45 1igr s ASP 248 N 0.03 5.87 0.48 4.85 3.84 -1.26 0.71 116.67 131.18 1igr s ASP 248 Ca -0.00 1.02 0.28 0.00 -0.00 0.00 0.00 52.55 53.84 1igr s ASP 248 Cb -0.05 -2.06 1.34 0.00 -1.38 0.00 0.00 42.92 40.76 1igr s ASP 248 CO -0.00 -0.96 1.80 -0.09 -0.00 0.00 0.00 175.17 175.92 1igr h ARG 249 N -0.21 0.18 0.07 2.11 2.43 -1.96 -2.00 114.38 114.99 1igr h ARG 249 Ca -0.45 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.43 1igr h ARG 249 Cb 1.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1igr h ARG 249 CO 0.62 0.12 -1.41 -0.44 -1.51 0.00 0.00 179.97 177.34 1igr h ASP 250 N 0.18 0.23 -0.06 -3.80 3.32 -1.96 0.76 116.42 115.09 1igr h ASP 250 Ca 0.56 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1igr h ASP 250 Cb 1.84 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 41.26 1igr h ASP 250 CO -0.14 1.25 -0.26 0.15 -1.72 0.00 0.00 179.24 178.52 1igr h PHE 251 N 0.04 -0.71 -0.76 4.55 3.57 -1.87 -1.50 116.94 120.26 1igr h PHE 251 Ca -0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1igr h PHE 251 Cb 1.95 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.98 1igr h PHE 251 CO 0.04 -0.35 0.44 0.00 -2.23 0.00 0.00 178.31 176.21 1igr n ALA 253 N -2.34 1.95 -1.54 0.00 0.00 0.26 -3.37 120.51 115.48 1igr n ALA 253 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1igr n ALA 253 Cb 0.07 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.37 1igr n ALA 253 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1igr n ASN 254 N -1.43 1.78 0.04 0.00 3.02 -0.50 -4.82 115.26 113.35 1igr n ASN 254 Ca 0.06 -3.53 -0.20 0.00 -0.03 0.00 0.00 54.58 50.89 1igr n ASN 254 Cb 0.21 -0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 1igr n ASN 254 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1igr h ILE 255 N 1.30 1.38 -0.13 2.41 2.04 -1.54 -3.07 117.51 119.89 1igr h ILE 255 Ca -0.02 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1igr h ILE 255 Cb 1.07 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1igr h ILE 255 CO 0.01 0.67 0.00 0.18 0.00 0.00 0.00 178.15 179.01 1igr n LEU 256 N -4.04 0.98 -0.29 1.44 4.77 -1.26 -4.42 117.00 114.19 1igr n LEU 256 Ca -0.12 -0.44 0.30 0.00 -0.03 0.00 0.00 56.01 55.73 1igr n LEU 256 Cb 0.81 -0.09 0.68 0.00 -2.33 0.00 0.00 43.42 42.50 1igr n LEU 256 CO 0.51 0.22 1.28 0.77 -1.33 0.00 0.00 177.39 178.85 1igr h SER 257 N 1.21 0.11 -0.02 -1.43 4.64 -1.88 1.20 113.55 117.39 1igr h SER 257 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1igr h SER 257 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1igr h SER 257 CO 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1igr n ALA 258 N -2.68 2.57 -2.52 5.18 0.00 -1.26 -4.89 120.51 116.91 1igr n ALA 258 Ca 0.24 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 1igr n ALA 258 Cb 1.08 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 1igr n ALA 258 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1igr s GLU 259 N -1.98 0.83 -1.08 0.00 2.02 0.41 -5.08 118.70 113.82 1igr s GLU 259 Ca 0.19 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 1igr s GLU 259 Cb 0.09 -0.55 0.25 0.00 0.10 0.00 0.00 34.13 34.01 1igr s GLU 259 CO 0.15 0.09 2.07 -1.13 0.02 0.00 0.00 175.26 176.46 1igr n SER 260 N 0.66 7.57 -4.69 -0.19 3.41 -1.26 -4.96 113.62 114.15 1igr n SER 260 Ca -0.17 -3.50 -0.41 0.00 -0.26 0.00 0.00 58.87 54.53 1igr n SER 260 Cb 0.57 -1.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 1igr n SER 260 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1igr s SER 261 N -0.69 7.02 0.00 4.04 0.01 -1.26 -4.89 113.70 117.93 1igr s SER 261 Ca 0.46 1.24 0.27 0.00 1.31 0.00 0.00 55.95 59.23 1igr s SER 261 Cb 0.22 -2.45 1.42 0.00 0.21 0.00 0.00 66.02 65.42 1igr s SER 261 CO -0.14 -0.27 1.93 -0.67 0.41 0.00 0.00 173.24 174.50 1igr n ASP 262 N 4.49 0.00 -4.86 2.44 -0.08 -1.26 -4.86 116.55 112.42 1igr n ASP 262 Ca 0.02 -0.29 -0.31 0.00 -1.51 0.00 0.00 54.79 52.71 1igr n ASP 262 Cb 0.50 -0.21 0.03 0.00 2.34 0.00 0.00 41.12 43.78 1igr n ASP 262 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1igr s SER 263 N -2.43 5.76 0.32 1.67 0.01 -1.26 -5.02 113.70 112.76 1igr s SER 263 Ca 0.29 1.39 -0.29 0.00 1.31 0.00 0.00 55.95 58.66 1igr s SER 263 Cb 0.18 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.98 1igr s SER 263 CO 0.38 -1.17 1.26 -1.61 0.41 0.00 0.00 173.24 172.52 1igr s GLU 264 N -5.19 4.40 0.68 12.44 0.41 -1.26 -5.02 118.70 125.16 1igr s GLU 264 Ca 0.57 2.12 0.01 0.00 -0.41 0.00 0.00 54.97 57.26 1igr s GLU 264 Cb -0.12 -3.07 0.13 0.00 -1.78 0.00 0.00 34.13 29.29 1igr s GLU 264 CO 0.54 -0.12 0.94 0.41 -0.49 0.00 0.00 175.26 176.54 1igr n GLY 265 N 0.87 0.87 3.38 -1.39 0.00 -1.26 -5.04 105.19 102.62 1igr n GLY 265 Ca -0.00 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1igr n GLY 265 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1igr n PHE 266 N -2.71 -1.31 -4.42 1.61 3.01 -1.26 -4.84 117.46 107.53 1igr n PHE 266 Ca 0.16 0.57 -0.21 0.00 1.01 0.00 0.00 57.45 58.99 1igr n PHE 266 Cb 0.57 -1.88 -0.10 0.00 -0.01 0.00 0.00 39.48 38.06 1igr n PHE 266 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1igr s VAL 267 N -1.63 1.64 -0.26 -4.37 -7.23 -0.30 -4.57 120.40 103.67 1igr s VAL 267 Ca 0.62 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1igr s VAL 267 Cb -0.58 -2.42 0.07 0.00 0.56 0.00 0.00 36.38 34.01 1igr s VAL 267 CO 0.60 -0.32 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.38 1igr s ILE 268 N -3.02 1.86 -0.01 -0.62 1.01 0.14 -1.63 121.20 118.93 1igr s ILE 268 Ca 0.29 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.45 1igr s ILE 268 Cb 0.03 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1igr s ILE 268 CO 0.11 -0.15 -0.15 -2.28 0.00 0.00 0.00 174.94 172.48 1igr s HIS 269 N 1.22 1.32 -1.63 3.97 2.46 0.12 -4.55 115.29 118.21 1igr s HIS 269 Ca -0.05 -0.25 -0.17 0.00 0.47 0.00 0.00 55.06 55.06 1igr s HIS 269 Cb -0.19 -0.85 0.15 0.00 -0.13 0.00 0.00 32.58 31.55 1igr s HIS 269 CO -0.07 -0.03 0.76 -0.25 -2.47 0.00 0.00 174.74 172.69 1igr n ASP 270 N 2.73 -3.46 -0.69 9.88 10.43 -1.26 -0.03 116.55 134.15 1igr n ASP 270 Ca -0.14 -0.91 -0.07 0.00 2.57 0.00 0.00 54.79 56.24 1igr n ASP 270 Cb 0.55 -2.83 -0.01 0.00 1.84 0.00 0.00 41.12 40.66 1igr n ASP 270 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1igr n GLY 271 N -1.36 0.39 2.86 0.44 0.00 -1.26 -5.01 105.19 101.25 1igr n GLY 271 Ca 0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1igr n GLY 271 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1igr s GLU 272 N -3.69 0.01 -0.34 1.61 2.12 0.96 -1.85 118.70 117.52 1igr s GLU 272 Ca 0.00 0.01 -0.23 0.00 0.36 0.00 0.00 54.97 55.11 1igr s GLU 272 Cb 0.00 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.36 1igr s GLU 272 CO 0.00 -0.01 0.79 0.00 -0.54 0.00 0.00 175.26 175.50 1igr s MET 274 N 3.06 0.54 0.63 0.00 0.00 -0.65 -4.58 119.30 118.31 1igr s MET 274 Ca 0.32 -0.70 0.37 0.00 0.00 0.00 0.00 55.69 55.69 1igr s MET 274 Cb -0.13 0.21 2.13 0.00 0.00 0.00 0.00 34.83 37.04 1igr s MET 274 CO 0.15 -0.13 2.31 0.37 0.00 0.00 0.00 175.02 177.72 1igr h GLN 275 N 3.85 0.00 -3.68 3.16 4.15 -1.93 -0.79 115.11 119.86 1igr h GLN 275 Ca -0.32 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 58.97 1igr h GLN 275 Cb 1.19 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.69 1igr h GLN 275 CO 0.48 0.00 -0.49 -2.00 -1.93 0.00 0.00 178.83 174.89 1igr s GLU 276 N -4.38 0.58 0.72 1.69 2.56 -1.26 -4.21 118.70 114.40 1igr s GLU 276 Ca -0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 54.97 54.14 1igr s GLU 276 Cb 0.14 0.23 0.04 0.00 2.00 0.00 0.00 34.13 36.54 1igr s GLU 276 CO 0.47 -0.15 1.16 0.00 -0.56 0.00 0.00 175.26 176.18 1igr s PRO 278 N -4.12 2.18 0.15 0.00 0.02 -1.26 -4.84 135.00 127.12 1igr s PRO 278 Ca 0.70 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 63.61 1igr s PRO 278 Cb -0.24 -1.82 0.25 0.00 0.02 0.00 0.00 34.50 32.71 1igr s PRO 278 CO 0.46 -1.85 0.81 0.43 -0.33 0.00 0.00 177.00 176.52 1igr n SER 279 N -2.49 -0.18 -1.49 2.53 7.64 -1.26 -0.39 113.62 117.99 1igr n SER 279 Ca 0.15 0.89 -0.05 0.00 1.01 0.00 0.00 58.87 60.88 1igr n SER 279 Cb 0.49 -0.27 0.24 0.00 -1.01 0.00 0.00 64.21 63.66 1igr n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igr n GLY 280 N -1.32 4.30 3.69 0.23 0.00 -1.26 -4.93 105.19 105.89 1igr n GLY 280 Ca 0.09 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1igr n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1igr s PHE 281 N -3.09 2.80 0.01 1.61 0.08 0.48 -1.18 117.98 118.69 1igr s PHE 281 Ca 0.49 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.37 1igr s PHE 281 Cb 0.41 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1igr s PHE 281 CO 0.07 0.60 -0.09 -1.50 -0.10 0.00 0.00 175.22 174.20 1igr s ILE 282 N -2.27 0.72 0.22 0.64 2.07 0.18 -4.67 121.20 118.09 1igr s ILE 282 Ca 0.32 -0.58 -0.32 0.00 -1.41 0.00 0.00 60.65 58.66 1igr s ILE 282 Cb -0.07 -0.64 -0.13 0.00 0.13 0.00 0.00 42.46 41.75 1igr s ILE 282 CO 0.21 0.07 1.55 0.54 -1.91 0.00 0.00 174.94 175.41 1igr n ARG 283 N 2.49 2.32 0.12 3.50 1.74 -1.26 -0.25 116.66 125.31 1igr n ARG 283 Ca -0.15 0.83 0.12 0.00 -0.77 0.00 0.00 57.85 57.88 1igr n ARG 283 Cb 0.56 -2.58 0.46 0.00 -1.02 0.00 0.00 32.46 29.88 1igr n ARG 283 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1igr n ASN 284 N 2.91 0.70 -4.12 0.55 6.94 -0.67 -4.71 115.26 116.88 1igr n ASN 284 Ca 0.14 0.62 -0.11 0.00 -0.02 0.00 0.00 54.58 55.21 1igr n ASN 284 Cb 0.32 -0.79 -0.08 0.00 -2.36 0.00 0.00 39.78 36.87 1igr n ASN 284 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1igr s GLY 285 N -3.54 1.06 0.15 4.83 0.00 -1.26 -5.05 107.32 103.51 1igr s GLY 285 Ca 0.07 -1.36 -0.31 0.00 0.00 0.00 0.00 44.72 43.12 1igr s GLY 285 CO 0.48 -1.09 1.76 -0.45 0.00 0.00 0.00 173.10 173.79 1igr s SER 286 N -3.10 6.45 -1.58 1.64 0.15 -1.26 -1.16 113.70 114.84 1igr s SER 286 Ca 0.32 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.71 1igr s SER 286 Cb 0.04 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1igr s SER 286 CO 0.10 -0.97 0.00 0.00 1.20 0.00 0.00 173.24 173.58 1igr n GLN 287 N 5.03 -1.08 -2.54 5.44 1.13 -1.26 -4.97 117.38 119.13 1igr n GLN 287 Ca 0.17 1.00 -0.38 0.00 -1.94 0.00 0.00 57.00 55.84 1igr n GLN 287 Cb 0.38 -5.17 -0.04 0.00 0.11 0.00 0.00 30.24 25.51 1igr n GLN 287 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1igr s SER 288 N -2.77 7.08 0.00 1.08 0.15 -0.31 -4.85 113.70 114.09 1igr s SER 288 Ca 0.00 2.13 0.31 0.00 0.70 0.00 0.00 55.95 59.08 1igr s SER 288 Cb 0.00 -2.61 1.64 0.00 -1.71 0.00 0.00 66.02 63.35 1igr s SER 288 CO 0.00 -0.27 2.08 0.23 1.20 0.00 0.00 173.24 176.49 1igr n MET 289 N 0.64 1.03 -3.93 5.44 2.81 -1.26 -4.83 117.12 117.03 1igr n MET 289 Ca 0.02 -0.20 -0.35 0.00 -1.81 0.00 0.00 57.70 55.35 1igr n MET 289 Cb 0.47 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.38 1igr n MET 289 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1igr s TYR 290 N -2.11 3.19 -0.19 2.03 1.51 -1.26 0.23 117.35 120.76 1igr s TYR 290 Ca 0.42 -0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.33 1igr s TYR 290 Cb 0.21 -2.14 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 1igr s TYR 290 CO 0.38 -0.01 0.11 0.00 -1.11 0.00 0.00 175.55 174.93 1igr s ILE 292 N 0.22 1.66 0.22 0.00 -4.36 0.65 -4.88 121.20 114.70 1igr s ILE 292 Ca 0.08 -1.12 -0.31 0.00 -0.26 0.00 0.00 60.65 59.03 1igr s ILE 292 Cb -0.11 -1.42 -0.15 0.00 1.25 0.00 0.00 42.46 42.03 1igr s ILE 292 CO -0.01 0.27 1.20 -2.65 0.24 0.00 0.00 174.94 173.99 1igr n PRO 293 N 2.03 1.48 -0.06 0.37 -0.02 -1.26 0.50 135.00 138.03 1igr n PRO 293 Ca -0.17 0.53 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 1igr n PRO 293 Cb 0.53 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1igr n PRO 293 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1igr n GLU 295 N -4.18 -1.72 0.00 0.00 4.71 -1.26 -4.92 120.64 113.27 1igr n GLU 295 Ca -0.06 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1igr n GLU 295 Cb 0.56 -3.58 0.00 0.00 -1.01 0.00 0.00 31.44 27.42 1igr n GLU 295 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1igr n GLY 296 N -1.25 0.88 3.75 0.62 0.00 -1.26 -5.01 105.19 102.93 1igr n GLY 296 Ca -0.07 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 1igr n GLY 296 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1igr n PRO 297 N -1.17 2.54 -2.08 1.61 -0.02 -1.26 -4.92 135.00 129.69 1igr n PRO 297 Ca 0.00 0.89 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 1igr n PRO 297 Cb 0.00 -2.59 0.01 0.00 -0.02 0.00 0.00 33.50 30.89 1igr n PRO 297 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1igr s PRO 299 N -2.74 3.63 -0.26 0.00 0.04 -1.26 -4.79 135.00 129.62 1igr s PRO 299 Ca 0.66 2.36 -0.09 0.00 0.04 0.00 0.00 61.00 63.97 1igr s PRO 299 Cb -0.33 -2.60 0.11 0.00 0.04 0.00 0.00 34.50 31.72 1igr s PRO 299 CO 0.40 -0.84 0.56 0.21 0.04 0.00 0.00 177.00 177.37 1igr s LYS 300 N -2.50 0.48 -0.25 4.56 2.20 -1.26 -4.93 119.74 118.03 1igr s LYS 300 Ca 0.62 1.29 -0.10 0.00 -0.36 0.00 0.00 55.97 57.42 1igr s LYS 300 Cb -0.43 0.66 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1igr s LYS 300 CO 0.54 -0.22 0.15 0.08 -0.36 0.00 0.00 175.35 175.54 1igr s VAL 301 N 2.76 5.14 -0.09 4.02 1.01 -1.26 -0.24 120.40 131.73 1igr s VAL 301 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1igr s VAL 301 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1igr s VAL 301 CO -0.17 0.32 -0.03 0.00 0.00 0.00 0.00 175.10 175.22 1igr s GLU 303 N -0.60 0.24 0.41 0.00 4.04 -1.26 -0.87 118.70 120.65 1igr s GLU 303 Ca 0.09 0.87 0.08 0.00 0.04 0.00 0.00 54.97 56.05 1igr s GLU 303 Cb -0.12 0.12 -0.03 0.00 0.02 0.00 0.00 34.13 34.13 1igr s GLU 303 CO 0.02 -0.26 0.34 -1.21 -1.84 0.00 0.00 175.26 172.31 1igr s GLU 304 N 2.41 2.50 0.14 -4.83 2.02 -1.26 -5.03 118.70 114.65 1igr s GLU 304 Ca -0.01 -1.56 -0.31 0.00 0.02 0.00 0.00 54.97 53.11 1igr s GLU 304 Cb -0.12 -2.33 -0.08 0.00 0.10 0.00 0.00 34.13 31.71 1igr s GLU 304 CO -0.11 -0.16 1.56 1.49 0.02 0.00 0.00 175.26 178.06 1igr h GLU 305 N 1.10 -0.40 -7.20 1.61 4.81 -2.01 -3.41 114.58 109.08 1igr h GLU 305 Ca -0.42 0.03 -0.47 0.00 -0.13 0.00 0.00 59.36 58.37 1igr h GLU 305 Cb 1.26 0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.75 1igr h GLU 305 CO 0.59 -0.27 0.38 0.21 -0.73 0.00 0.00 179.01 179.19 1igr s LYS 306 N -5.73 3.91 0.00 1.92 2.20 -1.26 -5.01 119.74 115.77 1igr s LYS 306 Ca -0.15 0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 56.18 1igr s LYS 306 Cb 0.09 -2.13 -0.18 0.00 -1.51 0.00 0.00 37.83 34.10 1igr s LYS 306 CO 0.63 -0.31 1.33 0.87 -0.36 0.00 0.00 175.35 177.52 1igr h LYS 307 N 0.85 0.09 -5.09 4.03 1.57 -1.94 -3.43 116.57 112.64 1igr h LYS 307 Ca -0.47 -0.04 -0.64 0.00 -1.87 0.00 0.00 60.65 57.63 1igr h LYS 307 Cb 1.19 -0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.34 1igr h LYS 307 CO 0.61 0.50 -0.24 0.99 -0.57 0.00 0.00 179.45 180.74 1igr s THR 308 N -4.46 5.16 -0.29 -0.16 2.01 -1.26 0.29 115.64 116.93 1igr s THR 308 Ca -0.15 0.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 1igr s THR 308 Cb 0.03 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1igr s THR 308 CO 0.69 0.03 0.67 -0.75 -0.69 0.00 0.00 174.62 174.57 1igr s LYS 309 N 2.08 3.98 -0.44 4.92 2.47 0.57 -4.92 119.74 128.41 1igr s LYS 309 Ca 0.14 0.45 -0.13 0.00 -1.56 0.00 0.00 55.97 54.87 1igr s LYS 309 Cb -0.16 -3.70 0.07 0.00 -1.46 0.00 0.00 37.83 32.58 1igr s LYS 309 CO 0.11 -0.55 0.33 -0.08 0.16 0.00 0.00 175.35 175.32 1igr s THR 310 N 2.67 4.79 -0.68 3.43 -1.32 -1.26 -0.80 115.64 122.47 1igr s THR 310 Ca 0.27 -1.18 -0.21 0.00 -1.21 0.00 0.00 61.69 59.36 1igr s THR 310 Cb -0.15 -3.87 0.09 0.00 -1.51 0.00 0.00 72.50 67.05 1igr s THR 310 CO 0.11 -0.52 0.93 -0.63 -2.21 0.00 0.00 174.62 172.29 1igr s ILE 311 N 1.55 4.49 -0.21 5.08 1.01 -0.41 -4.88 121.20 127.84 1igr s ILE 311 Ca 0.04 -0.67 0.15 0.00 0.00 0.00 0.00 60.65 60.16 1igr s ILE 311 Cb -0.23 -4.65 0.51 0.00 0.01 0.00 0.00 42.46 38.10 1igr s ILE 311 CO 0.05 -1.39 1.43 -0.90 0.00 0.00 0.00 174.94 174.12 1igr n ASP 312 N 7.24 3.47 -2.18 3.58 3.85 -1.26 -1.25 116.55 130.00 1igr n ASP 312 Ca -0.01 -3.21 0.02 0.00 -0.71 0.00 0.00 54.79 50.87 1igr n ASP 312 Cb 0.45 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 1igr n ASP 312 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1igr n SER 313 N -0.72 -0.42 -0.06 -1.12 3.41 -1.26 -4.67 113.62 108.78 1igr n SER 313 Ca 0.24 -1.03 -0.08 0.00 -0.26 0.00 0.00 58.87 57.74 1igr n SER 313 Cb 0.93 0.64 -0.15 0.00 -0.26 0.00 0.00 64.21 65.36 1igr n SER 313 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1igr n VAL 314 N -0.38 1.41 -0.10 -3.33 0.31 -1.26 -4.13 118.33 110.85 1igr n VAL 314 Ca 0.02 -0.82 -0.12 0.00 -0.01 0.00 0.00 64.34 63.42 1igr n VAL 314 Cb 0.23 -0.67 0.01 0.00 -0.91 0.00 0.00 33.84 32.50 1igr n VAL 314 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1igr h THR 315 N 0.00 1.28 0.00 2.52 2.02 -2.00 -2.91 112.91 113.82 1igr h THR 315 Ca -0.42 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1igr h THR 315 Cb 2.09 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1igr h THR 315 CO 0.05 0.51 -0.06 0.77 0.37 0.00 0.00 175.52 177.16 1igr h SER 316 N 0.72 0.00 -0.23 4.18 4.64 -1.95 -2.51 113.55 118.40 1igr h SER 316 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1igr h SER 316 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1igr h SER 316 CO 0.09 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1igr n ALA 317 N -2.21 2.49 0.12 5.18 0.00 -1.10 -4.57 120.51 120.42 1igr n ALA 317 Ca -0.02 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1igr n ALA 317 Cb 0.19 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 1igr n ALA 317 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1igr h GLN 318 N 2.37 -0.60 -1.03 0.00 5.75 -1.55 -2.90 115.11 117.15 1igr h GLN 318 Ca 0.00 0.04 0.26 0.00 -0.15 0.00 0.00 58.65 58.81 1igr h GLN 318 Cb 0.52 0.14 -0.11 0.00 1.07 0.00 0.00 27.48 29.10 1igr h GLN 318 CO 0.00 -0.40 0.63 0.52 -2.65 0.00 0.00 178.83 176.93 1igr h MET 319 N -0.62 0.46 0.00 1.69 2.86 -1.84 0.17 114.93 117.65 1igr h MET 319 Ca 0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1igr h MET 319 Cb 0.64 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1igr h MET 319 CO -0.21 0.31 0.12 -0.07 1.06 0.00 0.00 176.91 178.12 1igr h LEU 320 N 0.48 0.00 -9.65 1.22 3.38 -1.72 -3.44 115.31 105.58 1igr h LEU 320 Ca 0.63 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 58.06 1igr h LEU 320 Cb 1.41 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.23 1igr h LEU 320 CO -0.40 0.00 0.87 1.67 0.09 0.00 0.00 178.44 180.67 1igr n GLN 321 N -2.84 2.50 0.00 1.13 7.27 0.58 -2.64 117.38 123.39 1igr n GLN 321 Ca -0.02 0.90 0.00 0.00 0.07 0.00 0.00 57.00 57.95 1igr n GLN 321 Cb 0.18 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.14 1igr n GLN 321 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1igr n GLY 322 N 3.10 3.19 3.76 1.69 0.00 -1.26 -5.03 105.19 110.64 1igr n GLY 322 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1igr n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igr n THR 324 N 1.48 0.11 -3.72 0.00 -2.24 0.66 -2.37 114.28 108.21 1igr n THR 324 Ca 0.01 -0.51 -0.19 0.00 -2.27 0.00 0.00 64.05 61.09 1igr n THR 324 Cb 0.43 -0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.46 1igr n THR 324 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1igr s ILE 325 N -3.39 -0.05 -0.33 2.28 1.01 -0.61 -1.54 121.20 118.56 1igr s ILE 325 Ca -0.08 0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 1igr s ILE 325 Cb 0.13 -0.16 0.03 0.00 0.01 0.00 0.00 42.46 42.47 1igr s ILE 325 CO 0.88 0.16 0.11 0.12 0.00 0.00 0.00 174.94 176.21 1igr s PHE 326 N 1.78 3.21 -0.64 3.97 5.36 0.52 0.41 117.98 132.60 1igr s PHE 326 Ca 0.00 -1.19 -0.22 0.00 -0.96 0.00 0.00 56.93 54.56 1igr s PHE 326 Cb -0.12 -2.29 0.07 0.00 -0.34 0.00 0.00 43.02 40.34 1igr s PHE 326 CO -0.03 -0.66 0.92 0.21 -1.46 0.00 0.00 175.22 174.20 1igr s LYS 327 N 1.46 3.11 0.00 10.12 2.20 -0.05 -1.21 119.74 135.36 1igr s LYS 327 Ca 0.00 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1igr s LYS 327 Cb -0.19 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 1igr s LYS 327 CO 0.03 -1.76 0.00 0.41 -0.36 0.00 0.00 175.35 173.67 1igr n GLY 328 N 5.31 0.04 3.33 5.54 0.00 -1.26 -4.42 105.19 113.73 1igr n GLY 328 Ca -0.05 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1igr n GLY 328 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1igr s ASN 329 N -4.00 3.05 -0.26 1.61 0.01 0.15 -0.92 114.94 114.57 1igr s ASN 329 Ca 0.00 -0.56 -0.09 0.00 -0.71 0.00 0.00 52.86 51.50 1igr s ASN 329 Cb 0.00 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 1igr s ASN 329 CO 0.00 0.26 0.12 -0.76 -1.51 0.00 0.00 177.10 175.20 1igr s LEU 330 N -1.13 3.68 -0.42 0.60 1.43 -1.07 0.21 118.68 121.99 1igr s LEU 330 Ca 0.11 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1igr s LEU 330 Cb -0.10 -2.00 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1igr s LEU 330 CO 0.02 -0.04 0.24 -0.22 0.23 0.00 0.00 176.35 176.58 1igr s LEU 331 N 1.67 5.19 -0.43 1.79 2.96 0.02 -0.60 118.68 129.28 1igr s LEU 331 Ca 0.07 -1.69 -0.17 0.00 -0.22 0.00 0.00 54.13 52.12 1igr s LEU 331 Cb -0.15 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.63 1igr s LEU 331 CO 0.07 -0.55 0.45 -0.63 -1.32 0.00 0.00 176.35 174.37 1igr s ILE 332 N 1.33 5.08 -0.58 6.68 1.01 0.28 -1.28 121.20 133.72 1igr s ILE 332 Ca 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1igr s ILE 332 Cb -0.23 -4.06 0.23 0.00 0.01 0.00 0.00 42.46 38.40 1igr s ILE 332 CO -0.00 -0.45 0.61 -3.20 0.00 0.00 0.00 174.94 171.90 1igr n ASN 333 N 5.63 2.42 -4.36 3.58 2.85 -0.38 -1.76 115.26 123.24 1igr n ASN 333 Ca -0.07 -3.13 -0.40 0.00 -0.11 0.00 0.00 54.58 50.87 1igr n ASN 333 Cb 0.47 -0.67 -0.11 0.00 1.24 0.00 0.00 39.78 40.71 1igr n ASN 333 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1igr s ILE 334 N -1.76 4.38 -0.12 -1.44 1.01 -1.26 -4.30 121.20 117.72 1igr s ILE 334 Ca 0.35 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1igr s ILE 334 Cb 0.11 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1igr s ILE 334 CO -0.08 -0.19 -0.15 0.03 0.00 0.00 0.00 174.94 174.55 1igr h ARG 335 N 8.38 0.00 -6.55 2.79 3.08 -1.83 -0.87 114.38 119.37 1igr h ARG 335 Ca -0.26 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.27 1igr h ARG 335 Cb 1.10 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.19 1igr h ARG 335 CO 0.65 0.00 0.96 1.03 -1.07 0.00 0.00 179.97 181.54 1igr s ARG 336 N -2.04 4.19 -0.41 0.04 1.81 -1.26 -1.33 118.95 119.95 1igr s ARG 336 Ca -0.12 2.41 0.05 0.00 -1.72 0.00 0.00 55.73 56.35 1igr s ARG 336 Cb 0.02 -3.33 0.20 0.00 -0.45 0.00 0.00 34.95 31.38 1igr s ARG 336 CO 0.18 -0.69 0.42 0.41 -0.68 0.00 0.00 175.30 174.94 1igr n GLY 337 N 3.91 2.18 0.00 -3.53 0.00 -1.26 -4.65 105.19 101.84 1igr n GLY 337 Ca 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1igr n GLY 337 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1igr n ASN 338 N 2.39 0.00 -3.14 1.61 4.13 -1.26 -4.76 115.26 114.23 1igr n ASN 338 Ca 0.26 0.21 -0.14 0.00 1.68 0.00 0.00 54.58 56.60 1igr n ASN 338 Cb 0.50 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.69 1igr n ASN 338 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1igr s ASN 339 N -2.10 0.10 -0.78 6.41 3.84 -1.26 -5.05 114.94 116.10 1igr s ASN 339 Ca 0.00 -2.07 -0.04 0.00 0.21 0.00 0.00 52.86 50.96 1igr s ASN 339 Cb 0.00 0.82 0.20 0.00 -0.55 0.00 0.00 41.25 41.72 1igr s ASN 339 CO 0.00 -0.15 0.64 0.27 -2.79 0.00 0.00 177.10 175.08 1igr s ILE 340 N 0.80 4.31 0.00 -5.21 -0.00 -1.26 -4.60 121.20 115.24 1igr s ILE 340 Ca 0.27 -3.28 0.00 0.00 -0.00 0.00 0.00 60.65 57.64 1igr s ILE 340 Cb -0.03 -3.72 0.00 0.00 -0.00 0.00 0.00 42.46 38.71 1igr s ILE 340 CO -0.09 -0.99 0.00 0.00 -0.00 0.00 0.00 174.94 173.85 1igr n ALA 341 N 3.05 0.00 0.00 2.27 0.00 -1.26 -4.68 120.51 119.89 1igr n ALA 341 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1igr n ALA 341 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1igr n ALA 341 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1igr n SER 342 N 0.00 2.31 -0.04 0.00 2.88 -1.26 -4.41 113.62 113.10 1igr n SER 342 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1igr n SER 342 Cb 0.12 0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1igr n SER 342 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1igr h GLU 343 N 0.00 0.22 -0.74 -1.46 5.08 -1.88 -2.82 114.58 112.98 1igr h GLU 343 Ca 0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1igr h GLU 343 Cb 0.51 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1igr h GLU 343 CO 0.00 0.45 0.49 -0.07 -1.00 0.00 0.00 179.01 178.87 1igr h LEU 344 N -0.04 0.85 -1.49 1.33 3.38 -1.84 -2.51 115.31 114.99 1igr h LEU 344 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1igr h LEU 344 Cb 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1igr h LEU 344 CO 0.01 0.62 0.00 -0.08 0.09 0.00 0.00 178.44 179.07 1igr h GLU 345 N 1.00 0.00 -0.72 1.13 4.81 -1.73 -0.98 114.58 118.08 1igr h GLU 345 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1igr h GLU 345 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1igr h GLU 345 CO -0.06 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.51 1igr n ASN 346 N -2.78 2.18 0.00 1.04 5.15 -0.94 -1.30 115.26 118.61 1igr n ASN 346 Ca 0.00 -2.22 0.00 0.00 -0.60 0.00 0.00 54.58 51.76 1igr n ASN 346 Cb 0.22 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 1igr n ASN 346 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1igr n PHE 347 N 0.19 0.00 -0.36 1.20 3.01 -0.49 -4.86 117.46 116.14 1igr n PHE 347 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1igr n PHE 347 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1igr n PHE 347 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1igr n MET 348 N -0.36 0.72 0.14 -1.08 2.81 -0.50 -2.24 117.12 116.60 1igr n MET 348 Ca 0.00 -0.05 0.12 0.00 -1.81 0.00 0.00 57.70 55.96 1igr n MET 348 Cb 0.00 -0.34 0.49 0.00 -0.71 0.00 0.00 33.22 32.66 1igr n MET 348 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1igr n GLY 349 N 0.12 -1.33 0.05 3.03 0.00 -0.42 -2.69 105.19 103.95 1igr n GLY 349 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1igr n GLY 349 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1igr n LEU 350 N -2.28 0.63 -4.62 0.99 4.77 -1.26 -0.62 117.00 114.60 1igr n LEU 350 Ca 0.02 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 1igr n LEU 350 Cb 0.25 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1igr n LEU 350 CO 0.21 -0.02 1.78 -0.63 -1.33 0.00 0.00 177.39 177.40 1igr s ILE 351 N -3.24 3.01 -0.10 -0.08 1.01 -1.00 -4.35 121.20 116.46 1igr s ILE 351 Ca 0.03 0.02 0.15 0.00 0.00 0.00 0.00 60.65 60.85 1igr s ILE 351 Cb 0.13 -3.02 -0.18 0.00 0.01 0.00 0.00 42.46 39.40 1igr s ILE 351 CO 0.79 -0.01 0.70 -0.62 0.00 0.00 0.00 174.94 175.80 1igr n GLU 352 N 8.40 0.63 -3.78 2.79 1.02 -0.59 -0.69 120.64 128.42 1igr n GLU 352 Ca 0.27 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.50 1igr n GLU 352 Cb 0.44 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1igr n GLU 352 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1igr s VAL 353 N -2.79 -0.03 -0.22 2.62 0.11 -1.12 -0.31 120.40 118.67 1igr s VAL 353 Ca -0.04 0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1igr s VAL 353 Cb 0.08 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 1igr s VAL 353 CO 0.82 0.04 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.92 1igr s VAL 354 N 0.74 3.57 0.19 2.04 1.01 -0.48 -0.35 120.40 127.12 1igr s VAL 354 Ca -0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1igr s VAL 354 Cb -0.07 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1igr s VAL 354 CO -0.04 0.42 1.51 0.71 0.00 0.00 0.00 175.10 177.70 1igr h THR 355 N 5.62 1.32 0.00 3.92 1.35 -1.32 -0.71 112.91 123.10 1igr h THR 355 Ca -0.40 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 1igr h THR 355 Cb 1.17 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1igr h THR 355 CO 0.60 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 1igr n GLY 356 N 0.25 0.85 3.74 5.82 0.00 -0.10 -1.68 105.19 114.07 1igr n GLY 356 Ca -0.03 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1igr n GLY 356 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igr s TYR 357 N 1.15 2.56 -0.16 1.61 -0.85 -1.22 -2.02 117.35 118.43 1igr s TYR 357 Ca 0.00 -0.61 0.01 0.00 -0.52 0.00 0.00 57.07 55.95 1igr s TYR 357 Cb 0.00 -1.94 0.02 0.00 0.38 0.00 0.00 41.96 40.42 1igr s TYR 357 CO 0.00 0.19 -0.15 0.08 -1.52 0.00 0.00 175.55 174.14 1igr s VAL 358 N -2.62 1.72 -0.20 -3.49 1.01 0.17 -2.59 120.40 114.40 1igr s VAL 358 Ca 0.40 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1igr s VAL 358 Cb 0.04 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1igr s VAL 358 CO 0.22 0.45 -0.13 -0.75 0.00 0.00 0.00 175.10 174.89 1igr s LYS 359 N 1.42 3.15 -0.34 2.72 2.47 0.23 -1.67 119.74 127.73 1igr s LYS 359 Ca 0.04 -0.74 -0.07 0.00 -1.56 0.00 0.00 55.97 53.64 1igr s LYS 359 Cb -0.13 -2.75 0.03 0.00 -1.46 0.00 0.00 37.83 33.52 1igr s LYS 359 CO -0.11 -0.20 0.12 0.42 0.16 0.00 0.00 175.35 175.74 1igr s ILE 360 N 1.36 3.95 -0.09 5.43 -1.09 0.27 0.10 121.20 131.13 1igr s ILE 360 Ca 0.05 -1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 57.42 1igr s ILE 360 Cb -0.14 -3.19 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1igr s ILE 360 CO -0.09 -0.14 0.21 -0.60 -1.23 0.00 0.00 174.94 173.09 1igr s ARG 361 N 1.45 0.18 -1.75 2.79 3.52 -0.72 -0.82 118.95 123.59 1igr s ARG 361 Ca -0.00 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1igr s ARG 361 Cb -0.19 -0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.10 1igr s ARG 361 CO 0.03 -0.14 0.00 0.72 -0.81 0.00 0.00 175.30 175.11 1igr n HIS 362 N 3.99 -0.33 -2.61 5.12 8.25 -0.12 -4.25 115.22 125.28 1igr n HIS 362 Ca -0.23 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.80 1igr n HIS 362 Cb 0.54 -3.24 0.01 0.00 1.12 0.00 0.00 29.99 28.41 1igr n HIS 362 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1igr n SER 363 N -1.09 5.63 0.11 0.41 7.64 -1.24 -3.64 113.62 121.44 1igr n SER 363 Ca -0.19 -3.23 -0.03 0.00 1.01 0.00 0.00 58.87 56.43 1igr n SER 363 Cb 0.62 -1.39 0.18 0.00 -1.01 0.00 0.00 64.21 62.60 1igr n SER 363 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1igr h HIS 364 N 5.62 0.20 0.00 1.43 3.86 -1.34 -2.79 115.15 122.13 1igr h HIS 364 Ca 0.32 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1igr h HIS 364 Cb 0.62 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1igr h HIS 364 CO 1.16 0.66 0.12 0.00 0.86 0.00 0.00 177.93 180.73 1igr n ALA 365 N -2.46 0.77 -2.44 2.45 0.00 -0.44 -4.09 120.51 114.30 1igr n ALA 365 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1igr n ALA 365 Cb 0.56 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 1igr n ALA 365 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1igr s LEU 366 N -2.43 2.53 -0.00 0.00 1.43 -1.05 -4.76 118.68 114.39 1igr s LEU 366 Ca 0.00 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1igr s LEU 366 Cb 0.00 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1igr s LEU 366 CO 0.00 0.23 0.03 0.52 0.23 0.00 0.00 176.35 177.36 1igr n VAL 367 N 1.31 0.00 -3.85 -1.59 0.31 -1.26 -2.67 118.33 110.58 1igr n VAL 367 Ca -0.16 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 1igr n VAL 367 Cb 0.52 0.58 -0.05 0.00 -0.91 0.00 0.00 33.84 33.98 1igr n VAL 367 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1igr s SER 368 N -1.94 -0.14 -0.17 4.52 0.15 -1.25 0.19 113.70 115.05 1igr s SER 368 Ca -0.00 -0.68 0.16 0.00 0.70 0.00 0.00 55.95 56.13 1igr s SER 368 Cb 0.01 0.54 0.55 0.00 -1.71 0.00 0.00 66.02 65.41 1igr s SER 368 CO 0.05 -1.03 1.45 0.18 1.20 0.00 0.00 173.24 175.10 1igr n LEU 369 N -0.31 4.05 0.28 3.45 4.77 0.28 -4.65 117.00 124.87 1igr n LEU 369 Ca -0.08 -2.95 0.19 0.00 -0.03 0.00 0.00 56.01 53.14 1igr n LEU 369 Cb 0.62 -0.54 0.87 0.00 -2.33 0.00 0.00 43.42 42.04 1igr n LEU 369 CO 0.20 0.67 1.05 0.77 -1.33 0.00 0.00 177.39 178.75 1igr h SER 370 N 2.09 0.00 0.00 -1.43 4.64 -1.81 -1.94 113.55 115.10 1igr h SER 370 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1igr h SER 370 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1igr h SER 370 CO 0.24 0.00 0.02 2.19 -0.87 0.00 0.00 176.83 178.41 1igr h PHE 371 N 0.00 0.00 -1.05 4.77 -5.15 -1.82 -2.92 116.94 110.76 1igr h PHE 371 Ca 0.00 0.00 -0.75 0.00 -0.20 0.00 0.00 57.97 57.02 1igr h PHE 371 Cb 0.27 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 36.31 1igr h PHE 371 CO 0.00 0.00 2.30 1.28 -2.00 0.00 0.00 178.31 179.89 1igr n LEU 372 N -2.74 6.75 -0.22 2.10 4.77 -0.73 -3.43 117.00 123.51 1igr n LEU 372 Ca -0.02 -4.54 -0.08 0.00 -0.03 0.00 0.00 56.01 51.34 1igr n LEU 372 Cb 0.07 -1.52 0.05 0.00 -2.33 0.00 0.00 43.42 39.70 1igr n LEU 372 CO 0.15 1.34 0.88 0.50 -1.33 0.00 0.00 177.39 178.94 1igr h LYS 373 N 5.77 1.07 -0.01 3.23 1.63 -1.65 -3.19 116.57 123.42 1igr h LYS 373 Ca 0.44 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1igr h LYS 373 Cb 0.62 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1igr h LYS 373 CO 1.69 1.00 -0.50 0.09 -3.45 0.00 0.00 179.45 178.28 1igr n ASN 374 N -4.20 1.99 -4.51 4.20 5.03 0.21 -4.95 115.26 113.03 1igr n ASN 374 Ca 0.04 -1.49 -0.48 0.00 0.87 0.00 0.00 54.58 53.52 1igr n ASN 374 Cb 0.31 0.50 -0.06 0.00 -1.02 0.00 0.00 39.78 39.50 1igr n ASN 374 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1igr n LEU 375 N -0.08 2.57 -0.08 3.41 7.94 0.13 -3.84 117.00 127.05 1igr n LEU 375 Ca 0.09 0.37 -0.10 0.00 -1.11 0.00 0.00 56.01 55.26 1igr n LEU 375 Cb 0.46 -1.36 -0.11 0.00 0.53 0.00 0.00 43.42 42.94 1igr n LEU 375 CO 0.29 -0.69 -1.04 -2.11 -1.11 0.00 0.00 177.39 172.73 1igr n ARG 376 N 8.30 1.14 -3.80 1.96 1.85 0.58 -4.67 116.66 122.03 1igr n ARG 376 Ca 0.37 0.04 -0.13 0.00 -1.00 0.00 0.00 57.85 57.13 1igr n ARG 376 Cb 0.30 -1.38 -0.11 0.00 -1.05 0.00 0.00 32.46 30.22 1igr n ARG 376 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1igr s LEU 377 N -5.49 1.10 -0.21 2.89 0.05 0.06 -1.61 118.68 115.46 1igr s LEU 377 Ca -0.14 0.37 -0.04 0.00 0.05 0.00 0.00 54.13 54.37 1igr s LEU 377 Cb 0.05 0.86 -0.01 0.00 -2.05 0.00 0.00 46.19 45.04 1igr s LEU 377 CO 0.55 -0.15 -0.03 -0.63 -0.55 0.00 0.00 176.35 175.53 1igr s ILE 378 N -0.19 3.59 -0.00 1.48 1.01 0.15 -1.38 121.20 125.87 1igr s ILE 378 Ca -0.03 -0.43 0.10 0.00 0.00 0.00 0.00 60.65 60.30 1igr s ILE 378 Cb -0.03 -2.63 -0.23 0.00 0.01 0.00 0.00 42.46 39.59 1igr s ILE 378 CO 0.01 0.42 0.82 -0.07 0.00 0.00 0.00 174.94 176.12 1igr h LEU 379 N 7.85 0.02 1.27 2.97 3.38 -1.23 -0.31 115.31 129.26 1igr h LEU 379 Ca -0.39 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.33 1igr h LEU 379 Cb 1.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1igr h LEU 379 CO 0.60 1.03 -0.30 0.61 0.09 0.00 0.00 178.44 180.46 1igr n GLY 380 N 1.51 -0.07 0.20 0.83 0.00 -0.86 -2.93 105.19 103.88 1igr n GLY 380 Ca -0.13 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.58 1igr n GLY 380 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1igr h GLU 381 N -0.21 0.00 -4.23 1.61 5.08 -1.49 -3.41 114.58 111.92 1igr h GLU 381 Ca -0.28 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.72 1igr h GLU 381 Cb 1.20 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.14 1igr h GLU 381 CO 0.32 0.33 -0.76 -2.00 -1.00 0.00 0.00 179.01 175.90 1igr s GLU 382 N -3.78 0.58 0.12 2.33 2.12 -1.26 -5.02 118.70 113.78 1igr s GLU 382 Ca -0.01 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.20 1igr s GLU 382 Cb 0.12 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1igr s GLU 382 CO 0.67 0.05 -0.09 -0.65 -0.54 0.00 0.00 175.26 174.70 1igr s GLN 383 N 0.27 0.94 0.49 4.30 -0.21 -1.26 -3.39 119.66 120.80 1igr s GLN 383 Ca -0.03 -1.35 -0.19 0.00 0.02 0.00 0.00 55.36 53.81 1igr s GLN 383 Cb -0.07 -0.46 -0.08 0.00 1.00 0.00 0.00 33.01 33.39 1igr s GLN 383 CO -0.00 0.04 1.00 -0.51 -2.12 0.00 0.00 175.29 173.70 1igr s LEU 384 N -2.97 3.77 -0.50 2.90 1.43 -0.57 -4.81 118.68 117.93 1igr s LEU 384 Ca 0.13 1.76 -0.45 0.00 -1.03 0.00 0.00 54.13 54.53 1igr s LEU 384 Cb 0.02 -4.54 -0.19 0.00 0.03 0.00 0.00 46.19 41.51 1igr s LEU 384 CO -0.01 -0.67 1.99 -0.62 0.23 0.00 0.00 176.35 177.27 1igr n GLU 385 N -1.17 0.01 0.00 1.70 4.71 -1.26 -0.44 120.64 124.19 1igr n GLU 385 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1igr n GLU 385 Cb 0.53 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1igr n GLU 385 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1igr n GLY 386 N 6.50 1.56 0.97 0.62 0.00 -1.26 -4.66 105.19 108.91 1igr n GLY 386 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1igr n GLY 386 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1igr n ASN 387 N 0.00 -1.77 -4.54 1.61 3.02 0.42 -4.94 115.26 109.06 1igr n ASN 387 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1igr n ASN 387 Cb 0.00 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 1igr n ASN 387 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1igr s TYR 388 N -2.80 3.13 -0.13 3.10 1.51 -1.00 -0.69 117.35 120.47 1igr s TYR 388 Ca 0.00 -0.19 0.12 0.00 -1.01 0.00 0.00 57.07 55.99 1igr s TYR 388 Cb 0.00 -2.08 -0.24 0.00 -0.11 0.00 0.00 41.96 39.53 1igr s TYR 388 CO 0.00 -0.05 0.32 0.43 -1.11 0.00 0.00 175.55 175.14 1igr n SER 389 N 3.90 0.75 -3.79 2.29 7.64 0.14 -1.51 113.62 123.04 1igr n SER 389 Ca -0.17 0.18 -0.27 0.00 1.01 0.00 0.00 58.87 59.62 1igr n SER 389 Cb 0.52 0.25 -0.17 0.00 -1.01 0.00 0.00 64.21 63.80 1igr n SER 389 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1igr s PHE 390 N -2.54 1.19 -0.13 1.43 5.36 -1.13 -0.66 117.98 121.50 1igr s PHE 390 Ca -0.11 -0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 55.00 1igr s PHE 390 Cb 0.07 -1.08 0.04 0.00 -0.34 0.00 0.00 43.02 41.72 1igr s PHE 390 CO 0.80 -0.57 0.03 -0.47 -1.46 0.00 0.00 175.22 173.55 1igr s TYR 391 N 1.80 0.67 -0.28 10.12 5.04 -0.67 -1.68 117.35 132.35 1igr s TYR 391 Ca 0.00 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.23 1igr s TYR 391 Cb -0.16 -0.84 0.08 0.00 0.35 0.00 0.00 41.96 41.39 1igr s TYR 391 CO -0.07 -0.45 0.02 0.08 -1.34 0.00 0.00 175.55 173.79 1igr s VAL 392 N 1.97 1.38 0.01 3.14 1.01 -0.67 0.95 120.40 128.18 1igr s VAL 392 Ca 0.02 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.58 1igr s VAL 392 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1igr s VAL 392 CO -0.07 -0.39 -0.06 -0.22 0.00 0.00 0.00 175.10 174.36 1igr s LEU 393 N 1.41 2.10 -0.96 3.92 2.96 -0.00 -1.78 118.68 126.33 1igr s LEU 393 Ca 0.03 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1igr s LEU 393 Cb -0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 1igr s LEU 393 CO -0.13 -0.03 0.78 -0.67 -1.32 0.00 0.00 176.35 174.98 1igr n ASP 394 N 2.43 -6.41 -3.90 3.68 4.64 0.50 -2.08 116.55 115.42 1igr n ASP 394 Ca -0.16 -0.64 -0.30 0.00 -1.38 0.00 0.00 54.79 52.31 1igr n ASP 394 Cb 0.57 -4.29 -0.14 0.00 -1.04 0.00 0.00 41.12 36.22 1igr n ASP 394 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 1igr s ASN 395 N -3.25 4.29 0.24 1.67 0.01 -0.29 -0.94 114.94 116.67 1igr s ASN 395 Ca 0.27 -2.56 -0.04 0.00 -0.71 0.00 0.00 52.86 49.82 1igr s ASN 395 Cb -0.07 -1.44 0.42 0.00 0.41 0.00 0.00 41.25 40.56 1igr s ASN 395 CO 0.80 -0.30 1.79 1.56 -1.51 0.00 0.00 177.10 179.43 1igr h GLN 396 N 7.02 0.66 -0.00 -0.60 4.20 -1.81 -3.28 115.11 121.30 1igr h GLN 396 Ca -0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1igr h GLN 396 Cb 0.95 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1igr h GLN 396 CO 0.58 0.44 -0.61 0.09 -0.67 0.00 0.00 178.83 178.66 1igr n ASN 397 N -4.82 1.05 -4.64 1.46 3.02 -1.26 -4.27 115.26 105.81 1igr n ASN 397 Ca 0.14 -1.02 -0.44 0.00 -0.03 0.00 0.00 54.58 53.22 1igr n ASN 397 Cb 0.32 0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 40.28 1igr n ASN 397 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1igr n LEU 398 N -0.95 3.66 -0.07 3.41 7.94 -1.09 -4.48 117.00 125.43 1igr n LEU 398 Ca 0.04 0.70 -0.07 0.00 -1.11 0.00 0.00 56.01 55.58 1igr n LEU 398 Cb 0.28 -1.49 -0.11 0.00 0.53 0.00 0.00 43.42 42.63 1igr n LEU 398 CO 0.28 -0.14 -0.96 0.00 -1.11 0.00 0.00 177.39 175.46 1igr n GLN 399 N 7.72 1.60 -4.05 1.96 6.02 0.13 -3.03 117.38 127.73 1igr n GLN 399 Ca 0.24 -0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 57.12 1igr n GLN 399 Cb 0.38 -1.37 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 1igr n GLN 399 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1igr s GLN 400 N -2.37 1.16 0.00 -1.09 -2.07 0.07 -4.59 119.66 110.77 1igr s GLN 400 Ca -0.07 -1.33 0.00 0.00 -1.82 0.00 0.00 55.36 52.14 1igr s GLN 400 Cb 0.04 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1igr s GLN 400 CO 0.59 -0.41 0.00 1.28 -1.32 0.00 0.00 175.29 175.44 1igr n LEU 401 N -0.22 0.00 -4.61 2.60 4.77 -1.26 -2.85 117.00 115.44 1igr n LEU 401 Ca -0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 1igr n LEU 401 Cb 0.64 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1igr n LEU 401 CO 0.27 0.00 -0.35 0.26 -1.33 0.00 0.00 177.39 176.24 1igr s TRP 402 N 0.27 2.56 -0.67 -1.77 0.51 -1.26 0.99 118.94 119.56 1igr s TRP 402 Ca 0.00 -0.32 -0.26 0.00 -2.12 0.00 0.00 56.10 53.40 1igr s TRP 402 Cb 0.00 -1.26 -0.02 0.00 -0.81 0.00 0.00 33.47 31.38 1igr s TRP 402 CO 0.00 0.59 1.86 0.34 -0.51 0.00 0.00 176.95 179.23 1igr s ASP 403 N -3.66 5.27 0.00 2.95 -1.08 -1.26 -4.86 116.67 114.03 1igr s ASP 403 Ca 0.32 0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 1igr s ASP 403 Cb -0.04 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1igr s ASP 403 CO 0.19 -2.43 0.24 0.79 0.52 0.00 0.00 175.17 174.47 1igr n TRP 404 N 12.90 0.00 0.00 -5.34 5.03 -1.26 -1.56 117.44 127.21 1igr n TRP 404 Ca 0.24 -0.12 0.00 0.00 3.03 0.00 0.00 57.50 60.65 1igr n TRP 404 Cb 0.51 -0.21 0.00 0.00 -1.03 0.00 0.00 31.31 30.58 1igr n TRP 404 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1igr n ASP 405 N 1.43 0.00 -0.31 -0.99 8.00 -1.26 -4.80 116.55 118.61 1igr n ASP 405 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1igr n ASP 405 Cb 0.08 0.08 0.50 0.00 -0.02 0.00 0.00 41.12 41.75 1igr n ASP 405 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1igr n HIS 406 N -1.96 0.00 -3.82 1.24 8.25 -0.60 -4.96 115.22 113.36 1igr n HIS 406 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1igr n HIS 406 Cb 0.00 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 1igr n HIS 406 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1igr s ARG 407 N -2.27 0.60 -0.02 -0.41 0.52 -0.73 -5.00 118.95 111.63 1igr s ARG 407 Ca 0.32 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 1igr s ARG 407 Cb 0.20 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.93 1igr s ARG 407 CO 0.43 -0.16 -0.07 1.21 0.02 0.00 0.00 175.30 176.73 1igr s ASN 408 N -1.50 0.94 -0.02 0.23 2.47 -1.26 -4.66 114.94 111.13 1igr s ASN 408 Ca -0.13 -0.14 -0.11 0.00 0.42 0.00 0.00 52.86 52.90 1igr s ASN 408 Cb -0.06 -0.22 0.02 0.00 -1.45 0.00 0.00 41.25 39.54 1igr s ASN 408 CO 0.02 0.05 0.23 -0.22 -3.72 0.00 0.00 177.10 173.47 1igr s LEU 409 N 0.14 1.15 -0.00 3.21 2.96 -1.26 -4.53 118.68 120.35 1igr s LEU 409 Ca -0.02 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1igr s LEU 409 Cb -0.07 0.97 0.01 0.00 0.50 0.00 0.00 46.19 47.60 1igr s LEU 409 CO -0.00 -0.35 0.01 -0.89 -1.32 0.00 0.00 176.35 173.80 1igr s THR 410 N -1.06 -0.01 -0.41 3.68 2.01 -0.64 -3.32 115.64 115.90 1igr s THR 410 Ca -0.11 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 1igr s THR 410 Cb -0.05 -0.03 0.11 0.00 0.01 0.00 0.00 72.50 72.54 1igr s THR 410 CO 0.02 0.02 0.18 -0.63 -0.69 0.00 0.00 174.62 173.52 1igr s ILE 411 N 0.20 3.01 0.20 1.82 1.01 -1.05 0.34 121.20 126.74 1igr s ILE 411 Ca -0.02 -2.23 -0.11 0.00 0.00 0.00 0.00 60.65 58.29 1igr s ILE 411 Cb -0.02 -3.10 0.12 0.00 0.01 0.00 0.00 42.46 39.47 1igr s ILE 411 CO -0.01 -0.68 1.74 0.50 0.00 0.00 0.00 174.94 176.50 1igr h LYS 412 N 7.82 0.36 -3.86 2.79 1.63 -1.23 -3.44 116.57 120.65 1igr h LYS 412 Ca -0.10 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.56 1igr h LYS 412 Cb 1.03 -0.08 -0.17 0.00 -0.60 0.00 0.00 32.23 32.41 1igr h LYS 412 CO 0.65 0.24 -0.52 0.00 -3.45 0.00 0.00 179.45 176.37 1igr s ALA 413 N -6.11 -0.02 0.00 5.00 0.00 -1.15 -5.03 121.76 114.45 1igr s ALA 413 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1igr s ALA 413 Cb 0.16 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1igr s ALA 413 CO 0.74 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1igr n GLY 414 N 0.54 -4.17 3.05 0.00 0.00 -1.26 -4.18 105.19 99.16 1igr n GLY 414 Ca -0.18 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.58 1igr n GLY 414 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1igr n LYS 415 N -0.10 0.48 -4.30 1.61 2.85 0.14 -4.73 118.16 114.10 1igr n LYS 415 Ca 0.00 -3.16 -0.26 0.00 -1.05 0.00 0.00 58.31 53.85 1igr n LYS 415 Cb 0.00 2.18 -0.09 0.00 -0.65 0.00 0.00 35.03 36.47 1igr n LYS 415 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1igr s MET 416 N -3.35 2.11 -0.05 -1.58 -1.94 -1.26 0.24 119.30 113.47 1igr s MET 416 Ca 0.29 -1.33 0.02 0.00 -1.71 0.00 0.00 55.69 52.96 1igr s MET 416 Cb 0.01 -2.14 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1igr s MET 416 CO 0.20 0.41 -0.11 -0.47 -0.01 0.00 0.00 175.02 175.05 1igr s TYR 417 N -1.91 1.21 -0.10 -0.03 5.04 -0.68 -4.76 117.35 116.12 1igr s TYR 417 Ca 0.27 -0.38 0.04 0.00 -2.44 0.00 0.00 57.07 54.56 1igr s TYR 417 Cb -0.08 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.35 1igr s TYR 417 CO 0.16 -0.19 -0.23 -0.06 -1.34 0.00 0.00 175.55 173.89 1igr s PHE 418 N 0.47 2.50 -0.24 4.97 0.40 0.20 -1.67 117.98 124.61 1igr s PHE 418 Ca -0.09 -1.03 -0.22 0.00 -0.60 0.00 0.00 56.93 54.98 1igr s PHE 418 Cb -0.13 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.79 1igr s PHE 418 CO 0.02 -0.42 0.64 0.00 0.70 0.00 0.00 175.22 176.16 1igr s ALA 419 N 0.38 -1.59 -0.56 5.36 0.00 -0.74 -4.14 121.76 120.49 1igr s ALA 419 Ca -0.18 1.81 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 1igr s ALA 419 Cb -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1igr s ALA 419 CO 0.08 -0.30 0.48 1.19 0.00 0.00 0.00 175.76 177.21 1igr n PHE 420 N 2.74 -1.17 -3.80 0.00 3.01 -1.17 -0.37 117.46 116.71 1igr n PHE 420 Ca -0.14 0.42 -0.32 0.00 1.01 0.00 0.00 57.45 58.42 1igr n PHE 420 Cb 0.56 -2.78 -0.10 0.00 -0.01 0.00 0.00 39.48 37.14 1igr n PHE 420 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1igr s ASN 421 N -3.20 5.18 0.50 4.37 0.01 -1.11 -1.14 114.94 119.55 1igr s ASN 421 Ca 0.21 -3.56 0.20 0.00 -0.71 0.00 0.00 52.86 48.99 1igr s ASN 421 Cb -0.09 -1.75 1.26 0.00 0.41 0.00 0.00 41.25 41.08 1igr s ASN 421 CO 0.30 -0.17 2.07 1.55 -1.51 0.00 0.00 177.10 179.34 1igr h PRO 422 N 5.97 0.00 -0.64 -0.60 0.13 -1.73 0.80 132.00 135.92 1igr h PRO 422 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1igr h PRO 422 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1igr h PRO 422 CO 0.76 0.12 0.00 1.63 -0.23 0.00 0.00 178.00 180.27 1igr n LYS 423 N -4.13 3.71 -3.97 0.86 5.02 -1.26 -1.88 118.16 116.51 1igr n LYS 423 Ca -0.02 -2.49 -0.30 0.00 -2.02 0.00 0.00 58.31 53.47 1igr n LYS 423 Cb 0.20 -1.95 -0.14 0.00 -0.02 0.00 0.00 35.03 33.12 1igr n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1igr s LEU 424 N -1.91 4.46 0.28 -0.35 2.96 -1.17 -3.99 118.68 118.97 1igr s LEU 424 Ca 0.44 -2.60 -0.30 0.00 -0.22 0.00 0.00 54.13 51.45 1igr s LEU 424 Cb 0.31 -1.61 -0.13 0.00 0.50 0.00 0.00 46.19 45.25 1igr s LEU 424 CO 0.17 -0.30 1.27 0.00 -1.32 0.00 0.00 176.35 176.17 1igr h VAL 426 N 2.63 0.48 -0.74 0.00 -1.51 -1.94 -1.98 116.25 113.19 1igr h VAL 426 Ca -0.44 -0.23 0.15 0.00 -1.23 0.00 0.00 66.70 64.95 1igr h VAL 426 Cb 1.30 1.15 -0.10 0.00 -2.13 0.00 0.00 31.29 31.50 1igr h VAL 426 CO 0.67 0.05 0.25 -1.28 -1.23 0.00 0.00 177.57 176.03 1igr h SER 427 N 0.00 0.17 -0.07 4.19 0.87 -1.97 0.91 113.55 117.65 1igr h SER 427 Ca -0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1igr h SER 427 Cb 0.15 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1igr h SER 427 CO 0.01 0.05 0.04 -0.33 -0.53 0.00 0.00 176.83 176.06 1igr h GLU 428 N 0.37 0.10 -0.86 2.24 4.39 -1.72 0.65 114.58 119.75 1igr h GLU 428 Ca 0.41 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.23 1igr h GLU 428 Cb 0.66 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 1igr h GLU 428 CO -0.44 0.14 0.46 0.82 -1.16 0.00 0.00 179.01 178.83 1igr h ILE 429 N 0.03 0.79 0.00 3.13 2.04 -1.38 0.64 117.51 122.75 1igr h ILE 429 Ca 0.03 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1igr h ILE 429 Cb 0.07 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1igr h ILE 429 CO -0.00 0.13 -0.19 1.88 0.00 0.00 0.00 178.15 179.96 1igr h TYR 430 N 0.69 0.00 0.00 1.37 -1.99 0.14 -2.57 116.97 114.61 1igr h TYR 430 Ca 0.45 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.16 1igr h TYR 430 Cb 0.58 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.30 1igr h TYR 430 CO -0.07 0.19 -0.14 -0.09 -0.00 0.00 0.00 178.16 178.05 1igr h ARG 431 N 0.00 0.00 -0.66 4.88 9.65 0.24 -3.28 114.38 125.20 1igr h ARG 431 Ca -0.00 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.01 1igr h ARG 431 Cb 0.70 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.15 1igr h ARG 431 CO 0.03 0.89 -0.20 1.98 2.80 0.00 0.00 179.97 185.47 1igr h MET 432 N -1.00 -0.03 -0.98 0.20 4.05 -0.45 0.42 114.93 117.13 1igr h MET 432 Ca -0.04 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.55 1igr h MET 432 Cb 0.93 0.01 -0.16 0.00 -0.80 0.00 0.00 31.60 31.57 1igr h MET 432 CO -0.02 -0.02 -0.36 0.93 0.23 0.00 0.00 176.91 177.67 1igr h GLU 433 N -0.03 -0.01 0.74 0.39 5.08 -1.57 -0.91 114.58 118.28 1igr h GLU 433 Ca 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1igr h GLU 433 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1igr h GLU 433 CO -0.70 -0.00 -0.36 1.05 -1.00 0.00 0.00 179.01 178.00 1igr h GLU 434 N -0.01 -0.96 -0.25 2.33 4.11 -0.26 -2.85 114.58 116.70 1igr h GLU 434 Ca 0.36 0.07 0.05 0.00 0.07 0.00 0.00 59.36 59.91 1igr h GLU 434 Cb 0.62 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 1igr h GLU 434 CO -0.99 -0.62 -0.43 0.28 0.07 0.00 0.00 179.01 177.33 1igr h VAL 435 N -1.06 0.13 0.00 -1.06 2.07 -0.64 -2.53 116.25 113.17 1igr h VAL 435 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1igr h VAL 435 Cb 0.78 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1igr h VAL 435 CO 0.17 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.11 1igr n THR 436 N -5.43 0.53 -1.30 2.57 -2.24 -0.41 -4.74 114.28 103.26 1igr n THR 436 Ca -0.03 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 1igr n THR 436 Cb 0.36 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 1igr n THR 436 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1igr n GLY 437 N 0.31 1.16 0.69 3.38 0.00 -0.95 -2.52 105.19 107.25 1igr n GLY 437 Ca 0.08 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1igr n GLY 437 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1igr n THR 438 N -2.60 0.38 -1.86 2.61 -2.24 -1.15 -4.85 114.28 104.56 1igr n THR 438 Ca -0.10 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 1igr n THR 438 Cb 0.39 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1igr n THR 438 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1igr s LYS 439 N -1.62 3.32 0.00 -0.78 2.20 -1.09 -2.40 119.74 119.37 1igr s LYS 439 Ca 0.30 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 1igr s LYS 439 Cb 0.16 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1igr s LYS 439 CO 0.23 -1.87 0.00 0.41 -0.36 0.00 0.00 175.35 173.76 1igr n GLY 440 N 5.46 1.03 1.20 5.54 0.00 -1.26 -4.94 105.19 112.22 1igr n GLY 440 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1igr n GLY 440 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1igr n ARG 441 N -0.54 3.05 -3.88 1.61 1.85 -1.01 -4.97 116.66 112.77 1igr n ARG 441 Ca 0.00 -2.57 -0.36 0.00 -1.00 0.00 0.00 57.85 53.92 1igr n ARG 441 Cb 0.00 -1.59 -0.07 0.00 -1.05 0.00 0.00 32.46 29.74 1igr n ARG 441 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1igr s GLN 442 N -1.34 3.76 0.00 2.89 1.11 -1.26 -4.79 119.66 120.03 1igr s GLN 442 Ca 0.42 -0.21 0.00 0.00 0.01 0.00 0.00 55.36 55.58 1igr s GLN 442 Cb 0.24 -3.25 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 1igr s GLN 442 CO 0.25 0.53 0.00 -1.13 0.01 0.00 0.00 175.29 174.95 1igr n SER 443 N 2.77 -0.40 0.00 5.90 3.41 -1.26 -4.99 113.62 119.05 1igr n SER 443 Ca -0.18 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1igr n SER 443 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1igr n SER 443 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1igr n LYS 444 N -0.64 -0.24 0.00 4.33 4.76 -1.26 -4.13 118.16 120.98 1igr n LYS 444 Ca 0.00 -0.44 0.14 0.00 -2.87 0.00 0.00 58.31 55.14 1igr n LYS 444 Cb 0.00 -0.94 0.62 0.00 -1.84 0.00 0.00 35.03 32.87 1igr n LYS 444 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1igr n GLY 445 N 0.09 -1.27 0.29 0.72 0.00 -1.26 -3.63 105.19 100.13 1igr n GLY 445 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1igr n GLY 445 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1igr h ASP 446 N 0.13 -0.58 -3.33 1.61 3.32 -1.88 -3.35 116.42 112.35 1igr h ASP 446 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1igr h ASP 446 Cb 0.40 0.15 -0.36 0.00 0.22 0.00 0.00 39.33 39.73 1igr h ASP 446 CO 0.00 -0.39 -0.17 -0.63 -1.72 0.00 0.00 179.24 176.33 1igr s ILE 447 N -5.91 4.12 0.36 0.35 1.01 -1.24 0.63 121.20 120.52 1igr s ILE 447 Ca -0.16 -3.91 -0.11 0.00 0.00 0.00 0.00 60.65 56.47 1igr s ILE 447 Cb 0.04 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 1igr s ILE 447 CO 0.62 -1.07 0.73 0.54 0.00 0.00 0.00 174.94 175.76 1igr s ASN 448 N -0.32 6.59 -0.01 3.58 2.20 -1.26 -4.94 114.94 120.79 1igr s ASN 448 Ca 0.27 1.13 0.15 0.00 -0.94 0.00 0.00 52.86 53.47 1igr s ASN 448 Cb -0.07 -2.32 0.45 0.00 -2.00 0.00 0.00 41.25 37.30 1igr s ASN 448 CO -0.13 -0.31 1.37 0.35 -2.94 0.00 0.00 177.10 175.44 1igr n THR 449 N -0.94 1.05 -0.09 0.54 -2.24 -1.26 -3.52 114.28 107.82 1igr n THR 449 Ca 0.02 -1.02 -0.10 0.00 -2.27 0.00 0.00 64.05 60.68 1igr n THR 449 Cb 0.54 0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 1igr n THR 449 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1igr n ARG 450 N 0.92 0.68 0.00 -0.78 1.85 -1.26 -4.60 116.66 113.47 1igr n ARG 450 Ca 0.17 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 1igr n ARG 450 Cb 0.52 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1igr n ARG 450 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1igr n ASN 451 N -2.84 1.08 -4.38 2.89 0.23 -1.26 -4.55 115.26 106.43 1igr n ASN 451 Ca -0.31 -1.45 -0.40 0.00 -0.53 0.00 0.00 54.58 51.90 1igr n ASN 451 Cb 1.13 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.72 1igr n ASN 451 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1igr s ASN 452 N -0.45 5.63 0.00 0.53 0.01 -1.23 -2.75 114.94 116.68 1igr s ASN 452 Ca 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 1igr s ASN 452 Cb 0.00 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.66 1igr s ASN 452 CO 0.00 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 1igr n GLY 453 N 4.97 1.96 0.34 0.66 0.00 0.28 -4.46 105.19 108.94 1igr n GLY 453 Ca -0.12 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.20 1igr n GLY 453 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1igr h GLU 454 N 2.61 0.09 -1.61 1.61 4.11 -1.79 -0.61 114.58 118.99 1igr h GLU 454 Ca 0.00 -0.01 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 1igr h GLU 454 Cb 0.00 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 28.83 1igr h GLU 454 CO 0.00 0.06 -0.46 0.54 0.07 0.00 0.00 179.01 179.23 1igr n ARG 455 N -5.13 3.34 -3.74 1.06 1.74 -0.79 -5.00 116.66 108.13 1igr n ARG 455 Ca 0.36 -4.38 -0.12 0.00 -0.77 0.00 0.00 57.85 52.95 1igr n ARG 455 Cb 1.23 -2.25 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 1igr n ARG 455 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1igr s ALA 456 N -3.62 -0.73 -0.01 7.54 0.00 -0.24 -4.63 121.76 120.07 1igr s ALA 456 Ca 0.49 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1igr s ALA 456 Cb 0.40 -0.63 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1igr s ALA 456 CO -0.22 -0.19 1.86 0.45 0.00 0.00 0.00 175.76 177.66 1igr s SER 457 N 0.81 6.49 0.00 0.00 0.15 -1.26 -4.91 113.70 114.98 1igr s SER 457 Ca -0.05 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1igr s SER 457 Cb -0.06 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1igr s SER 457 CO -0.05 -1.05 0.00 0.00 1.20 0.00 0.00 173.24 173.34 1igr n GLU 459 N 0.00 -1.94 0.00 0.00 0.00 -1.26 -5.16 120.64 112.27 1igr n GLU 459 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 57.16 58.09 1igr n GLU 459 Cb 0.00 -5.56 0.00 0.00 0.00 0.00 0.00 31.44 25.88 1igr n GLU 459 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1igr n LYS 467 N -2.85 0.00 0.00 3.44 3.00 -1.26 -5.19 118.16 115.30 1igr n LYS 467 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1igr n LYS 467 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1igr n LYS 467 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1igr n GLU 468 N 0.00 0.00 0.00 1.64 0.00 -1.26 -4.64 120.64 116.38 1igr n GLU 468 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1igr n GLU 468 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 1igr n GLU 468 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1igr n GLN 469 N -1.55 1.34 -3.53 5.31 6.02 -1.26 -4.38 117.38 119.33 1igr n GLN 469 Ca 0.00 -1.44 -0.21 0.00 -0.01 0.00 0.00 57.00 55.34 1igr n GLN 469 Cb 0.00 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 1igr n GLN 469 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1igr s LYS 470 N -1.42 3.26 -0.10 -1.09 1.02 -1.26 -5.04 119.74 115.11 1igr s LYS 470 Ca 0.19 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 1igr s LYS 470 Cb 0.14 -2.78 -0.25 0.00 -0.52 0.00 0.00 37.83 34.42 1igr s LYS 470 CO 0.22 0.13 0.43 1.28 -0.92 0.00 0.00 175.35 176.50 1igr n LEU 471 N -1.66 2.18 -3.80 3.17 4.32 -1.26 -4.56 117.00 115.38 1igr n LEU 471 Ca -0.03 0.26 -0.10 0.00 -0.02 0.00 0.00 56.01 56.11 1igr n LEU 471 Cb 0.57 -0.78 -0.07 0.00 -1.62 0.00 0.00 43.42 41.53 1igr n LEU 471 CO 0.45 0.74 -0.03 -0.51 -1.22 0.00 0.00 177.39 176.81 1igr s ILE 472 N -2.57 0.11 0.37 -0.08 2.07 -1.26 -4.42 121.20 115.42 1igr s ILE 472 Ca -0.18 -0.91 -0.15 0.00 -1.41 0.00 0.00 60.65 58.00 1igr s ILE 472 Cb 0.07 -1.12 0.05 0.00 0.13 0.00 0.00 42.46 41.59 1igr s ILE 472 CO 0.78 -0.50 0.75 -0.94 -1.91 0.00 0.00 174.94 173.12 1igr s SER 473 N -2.48 0.07 0.28 4.50 1.04 -1.26 -5.00 113.70 110.86 1igr s SER 473 Ca -0.00 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 1igr s SER 473 Cb 0.02 0.82 0.40 0.00 0.10 0.00 0.00 66.02 67.35 1igr s SER 473 CO -0.08 -1.62 1.82 1.05 0.98 0.00 0.00 173.24 175.40 1igr h GLU 474 N 2.01 0.82 -1.32 4.02 4.11 -2.03 -1.45 114.58 120.74 1igr h GLU 474 Ca -0.30 -0.17 0.42 0.00 0.07 0.00 0.00 59.36 59.37 1igr h GLU 474 Cb 1.25 -0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.26 1igr h GLU 474 CO 0.39 0.75 0.87 1.49 0.07 0.00 0.00 179.01 182.57 1igr h GLU 475 N 0.79 0.11 -0.00 1.06 4.57 -2.01 1.22 114.58 120.33 1igr h GLU 475 Ca 0.17 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1igr h GLU 475 Cb 0.30 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1igr h GLU 475 CO -0.00 0.07 -0.18 -0.25 -1.18 0.00 0.00 179.01 177.48 1igr n ASP 476 N -4.60 0.24 -0.11 1.04 8.00 -0.55 -3.51 116.55 117.05 1igr n ASP 476 Ca 0.35 0.05 0.13 0.00 0.71 0.00 0.00 54.79 56.04 1igr n ASP 476 Cb 1.39 -0.18 0.36 0.00 -0.02 0.00 0.00 41.12 42.67 1igr n ASP 476 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1igr n LEU 477 N -1.40 0.69 -0.22 0.64 4.32 0.42 -4.99 117.00 116.46 1igr n LEU 477 Ca 0.08 -0.08 0.15 0.00 -0.02 0.00 0.00 56.01 56.14 1igr n LEU 477 Cb 0.32 -0.20 0.75 0.00 -1.62 0.00 0.00 43.42 42.68 1igr n LEU 477 CO 0.29 0.14 1.00 -3.20 -1.22 0.00 0.00 177.39 174.40