#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iye n ALA 5 N 0.00 -0.53 0.04 3.14 0.00 -1.26 -4.65 120.51 117.26 1iye n ALA 5 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1iye n ALA 5 Cb 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 1iye n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iye h ASP 6 N 0.85 0.22 -4.63 0.00 3.32 -1.91 -3.41 116.42 110.87 1iye h ASP 6 Ca -0.13 -0.32 -0.31 0.00 0.02 0.00 0.00 57.03 56.29 1iye h ASP 6 Cb 0.53 -0.07 -0.20 0.00 0.22 0.00 0.00 39.33 39.80 1iye h ASP 6 CO 0.17 1.27 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.91 1iye s TYR 7 N -2.63 0.87 -0.07 4.55 1.51 -1.26 -0.48 117.35 119.84 1iye s TYR 7 Ca -0.06 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 1iye s TYR 7 Cb 0.08 -0.50 0.02 0.00 -0.11 0.00 0.00 41.96 41.44 1iye s TYR 7 CO 0.84 -0.04 -0.09 0.42 -1.11 0.00 0.00 175.55 175.56 1iye s ILE 8 N -1.70 0.94 -0.01 2.71 1.01 0.26 -4.65 121.20 119.76 1iye s ILE 8 Ca -0.04 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1iye s ILE 8 Cb -0.08 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 1iye s ILE 8 CO 0.00 0.32 1.41 0.86 0.00 0.00 0.00 174.94 177.53 1iye s TRP 9 N 0.92 2.79 -0.23 3.97 -0.00 -0.95 -1.34 118.94 124.10 1iye s TRP 9 Ca -0.10 0.79 -0.03 0.00 -0.00 0.00 0.00 56.10 56.76 1iye s TRP 9 Cb -0.15 -3.67 0.08 0.00 -0.00 0.00 0.00 33.47 29.73 1iye s TRP 9 CO 0.01 -2.50 0.07 0.12 -0.00 0.00 0.00 176.95 174.65 1iye s PHE 10 N 2.57 1.02 -1.54 5.86 5.99 -0.07 -1.70 117.98 130.10 1iye s PHE 10 Ca 0.64 -1.03 -0.11 0.00 0.00 0.00 0.00 56.93 56.43 1iye s PHE 10 Cb -0.31 -1.14 0.08 0.00 0.00 0.00 0.00 43.02 41.65 1iye s PHE 10 CO 0.26 -0.70 0.76 0.09 -0.00 0.00 0.00 175.22 175.63 1iye n ASN 11 N 5.05 -2.92 0.00 6.13 3.02 -0.63 -2.28 115.26 123.63 1iye n ASN 11 Ca -0.07 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1iye n ASN 11 Cb 0.45 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1iye n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iye n GLY 12 N -1.65 0.53 3.03 7.41 0.00 -1.26 -5.07 105.19 108.19 1iye n GLY 12 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1iye n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iye s GLU 13 N -0.84 0.48 -0.44 1.61 -1.05 -0.97 -5.11 118.70 112.38 1iye s GLU 13 Ca 0.00 -0.59 -0.29 0.00 -0.15 0.00 0.00 54.97 53.94 1iye s GLU 13 Cb 0.00 -0.30 0.03 0.00 -0.44 0.00 0.00 34.13 33.42 1iye s GLU 13 CO 0.00 0.06 1.13 -1.64 0.95 0.00 0.00 175.26 175.76 1iye s MET 14 N -1.17 3.79 -0.13 -4.83 -1.94 -1.26 -0.89 119.30 112.87 1iye s MET 14 Ca -0.07 0.67 -0.04 0.00 -1.71 0.00 0.00 55.69 54.55 1iye s MET 14 Cb -0.08 -3.87 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 1iye s MET 14 CO 0.00 -1.29 -0.00 0.08 -0.01 0.00 0.00 175.02 173.80 1iye s VAL 15 N 4.30 4.23 0.33 -6.03 1.01 -0.45 -4.91 120.40 118.88 1iye s VAL 15 Ca 0.48 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1iye s VAL 15 Cb -0.08 -2.83 -0.12 0.00 0.00 0.00 0.00 36.38 33.35 1iye s VAL 15 CO 0.28 0.53 1.50 -2.11 0.00 0.00 0.00 175.10 175.31 1iye n ARG 16 N 2.95 2.58 -0.30 2.72 1.85 -1.26 -0.58 116.66 124.62 1iye n ARG 16 Ca -0.18 0.91 -0.01 0.00 -1.00 0.00 0.00 57.85 57.57 1iye n ARG 16 Cb 0.53 -2.64 0.02 0.00 -1.05 0.00 0.00 32.46 29.32 1iye n ARG 16 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1iye n TRP 17 N 1.19 -0.01 0.29 2.89 -0.00 0.37 -0.75 117.44 121.42 1iye n TRP 17 Ca 0.05 0.96 0.14 0.00 -0.00 0.00 0.00 57.50 58.65 1iye n TRP 17 Cb 0.37 -0.77 0.86 0.00 -0.00 0.00 0.00 31.31 31.77 1iye n TRP 17 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1iye h GLU 18 N 0.00 0.00 -0.02 5.87 3.07 -1.88 -2.48 114.58 119.14 1iye h GLU 18 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1iye h GLU 18 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1iye h GLU 18 CO -0.77 0.04 -0.17 -0.25 -1.40 0.00 0.00 179.01 176.47 1iye n ASP 19 N -3.79 1.77 -4.56 1.42 8.00 0.07 -4.74 116.55 114.72 1iye n ASP 19 Ca -0.03 -1.43 -0.39 0.00 0.71 0.00 0.00 54.79 53.66 1iye n ASP 19 Cb 0.13 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1iye n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iye s ALA 20 N -2.24 2.65 0.18 2.24 0.00 -0.94 -4.93 121.76 118.73 1iye s ALA 20 Ca 0.28 -2.28 0.04 0.00 0.00 0.00 0.00 51.96 50.00 1iye s ALA 20 Cb 0.20 -4.56 -0.05 0.00 0.00 0.00 0.00 23.12 18.71 1iye s ALA 20 CO 0.43 -3.79 -0.06 0.15 0.00 0.00 0.00 175.76 172.49 1iye s LYS 21 N 5.17 1.19 0.11 0.00 1.02 -1.26 -5.07 119.74 120.89 1iye s LYS 21 Ca 0.52 -1.55 0.03 0.00 0.02 0.00 0.00 55.97 54.99 1iye s LYS 21 Cb -0.00 -0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1iye s LYS 21 CO -0.04 0.00 -0.09 0.14 -0.92 0.00 0.00 175.35 174.44 1iye s VAL 22 N -3.37 0.95 0.44 3.17 -7.23 -1.26 -5.14 120.40 107.96 1iye s VAL 22 Ca 0.22 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 1iye s VAL 22 Cb 0.04 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 1iye s VAL 22 CO 0.04 -0.71 1.17 -2.28 -0.31 0.00 0.00 175.10 173.01 1iye s HIS 23 N -3.05 2.94 -0.75 2.82 2.46 -1.26 -4.91 115.29 113.54 1iye s HIS 23 Ca 0.11 1.54 0.15 0.00 0.47 0.00 0.00 55.06 57.33 1iye s HIS 23 Cb 0.01 -3.38 0.68 0.00 -0.13 0.00 0.00 32.58 29.75 1iye s HIS 23 CO -0.01 -1.44 1.47 1.55 -2.47 0.00 0.00 174.74 173.84 1iye n VAL 24 N -0.30 1.14 -0.39 0.89 3.14 -1.26 -1.71 118.33 119.85 1iye n VAL 24 Ca 0.06 0.35 0.06 0.00 -2.96 0.00 0.00 64.34 61.85 1iye n VAL 24 Cb 0.47 -1.23 0.31 0.00 -1.06 0.00 0.00 33.84 32.33 1iye n VAL 24 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1iye n MET 25 N -1.81 3.83 -2.15 1.45 2.81 -1.26 -4.87 117.12 115.13 1iye n MET 25 Ca 0.02 -2.39 -0.42 0.00 -1.81 0.00 0.00 57.70 53.10 1iye n MET 25 Cb 0.14 -2.03 -0.03 0.00 -0.71 0.00 0.00 33.22 30.59 1iye n MET 25 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1iye s SER 26 N -0.64 6.80 0.17 7.83 0.01 -0.69 -4.48 113.70 122.69 1iye s SER 26 Ca 0.42 2.40 -0.26 0.00 1.31 0.00 0.00 55.95 59.81 1iye s SER 26 Cb 0.31 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1iye s SER 26 CO 0.14 -0.65 1.56 -0.74 0.41 0.00 0.00 173.24 173.96 1iye h HIS 27 N 6.35 -1.37 -0.86 2.43 2.76 -0.52 -1.33 115.15 122.61 1iye h HIS 27 Ca -0.43 0.09 0.25 0.00 -2.20 0.00 0.00 60.37 58.08 1iye h HIS 27 Cb 1.21 0.69 -0.03 0.00 1.55 0.00 0.00 27.41 30.82 1iye h HIS 27 CO 0.64 -0.43 0.65 0.00 -1.30 0.00 0.00 177.93 177.50 1iye h ALA 28 N 0.57 2.78 0.00 5.26 0.00 -1.50 0.19 119.26 126.57 1iye h ALA 28 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1iye h ALA 28 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1iye h ALA 28 CO -0.71 -1.09 -0.36 -0.07 0.00 0.00 0.00 179.25 177.01 1iye h LEU 29 N 0.00 0.00 0.00 0.00 3.38 -1.53 -2.72 115.31 114.44 1iye h LEU 29 Ca 0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 1iye h LEU 29 Cb 1.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 1iye h LEU 29 CO -0.00 0.36 -2.02 1.41 0.09 0.00 0.00 178.44 178.28 1iye n HIS 30 N -3.65 0.00 -1.29 1.13 8.25 0.52 -4.72 115.22 115.46 1iye n HIS 30 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1iye n HIS 30 Cb 0.47 -0.63 0.06 0.00 1.12 0.00 0.00 29.99 31.01 1iye n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1iye n TYR 31 N -2.38 0.00 -1.44 4.41 4.02 -0.38 -5.00 117.16 116.40 1iye n TYR 31 Ca -0.15 -0.48 -0.15 0.00 -0.01 0.00 0.00 57.90 57.11 1iye n TYR 31 Cb 0.75 -0.09 -0.07 0.00 -0.02 0.00 0.00 39.34 39.92 1iye n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iye n GLY 32 N -0.67 1.47 2.79 2.72 0.00 -1.02 -4.86 105.19 105.62 1iye n GLY 32 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1iye n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iye n THR 33 N -2.25 3.25 -3.74 2.61 -2.24 -1.26 -2.00 114.28 108.65 1iye n THR 33 Ca -0.15 -2.85 -0.10 0.00 -2.27 0.00 0.00 64.05 58.67 1iye n THR 33 Cb 0.62 -2.57 -0.06 0.00 -2.10 0.00 0.00 70.33 66.22 1iye n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1iye s SER 34 N 3.44 -0.09 0.05 3.42 1.04 -1.26 -1.70 113.70 118.60 1iye s SER 34 Ca 0.48 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.59 1iye s SER 34 Cb 0.14 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1iye s SER 34 CO -0.06 -0.73 -0.13 0.68 0.98 0.00 0.00 173.24 173.97 1iye s VAL 35 N -3.37 1.06 0.28 5.02 -7.23 0.38 -0.35 120.40 116.19 1iye s VAL 35 Ca 0.01 -1.09 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1iye s VAL 35 Cb 0.02 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.97 1iye s VAL 35 CO -0.09 -0.09 0.45 0.72 -0.31 0.00 0.00 175.10 175.78 1iye s PHE 36 N -1.01 0.72 0.17 2.82 -0.12 -0.49 -0.76 117.98 119.31 1iye s PHE 36 Ca -0.00 -1.03 0.00 0.00 -0.05 0.00 0.00 56.93 55.85 1iye s PHE 36 Cb -0.09 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1iye s PHE 36 CO 0.01 -1.03 0.05 -1.21 -0.05 0.00 0.00 175.22 172.99 1iye s GLU 37 N -3.59 1.08 -0.10 1.99 0.41 -0.88 -4.73 118.70 112.88 1iye s GLU 37 Ca 0.27 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 1iye s GLU 37 Cb 0.00 -0.00 0.02 0.00 -1.78 0.00 0.00 34.13 32.37 1iye s GLU 37 CO 0.14 -0.23 -0.09 0.20 -0.49 0.00 0.00 175.26 174.79 1iye s GLY 38 N -3.14 0.81 0.05 -1.39 0.00 -1.26 -3.51 107.32 98.88 1iye s GLY 38 Ca 0.27 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1iye s GLY 38 CO 0.05 0.64 -0.10 -0.42 0.00 0.00 0.00 173.10 173.27 1iye s ILE 39 N 1.45 0.78 0.00 0.90 1.01 -0.43 -4.87 121.20 120.04 1iye s ILE 39 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 60.65 59.60 1iye s ILE 39 Cb -0.13 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1iye s ILE 39 CO -0.05 -0.29 -0.25 -0.13 0.00 0.00 0.00 174.94 174.21 1iye s ARG 40 N -1.58 1.95 -0.13 2.79 0.52 -1.26 0.57 118.95 121.81 1iye s ARG 40 Ca -0.06 -0.97 -0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1iye s ARG 40 Cb -0.10 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 1iye s ARG 40 CO 0.01 0.53 -0.07 0.00 0.02 0.00 0.00 175.30 175.79 1iye s TYR 42 N 0.16 2.36 0.18 0.00 1.51 0.16 -1.16 117.35 120.56 1iye s TYR 42 Ca -0.04 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1iye s TYR 42 Cb -0.14 -1.29 -0.08 0.00 -0.11 0.00 0.00 41.96 40.34 1iye s TYR 42 CO 0.04 0.31 0.97 -0.51 -1.11 0.00 0.00 175.55 175.25 1iye s ASP 43 N -1.93 7.55 0.19 2.29 1.01 -1.25 -0.32 116.67 124.20 1iye s ASP 43 Ca 0.14 1.91 0.01 0.00 0.71 0.00 0.00 52.55 55.32 1iye s ASP 43 Cb -0.10 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.22 1iye s ASP 43 CO 0.06 0.03 0.23 -1.54 0.21 0.00 0.00 175.17 174.16 1iye n SER 44 N 2.07 -0.63 0.27 0.27 3.41 -0.82 -4.90 113.62 113.28 1iye n SER 44 Ca 0.00 -2.14 0.17 0.00 -0.26 0.00 0.00 58.87 56.65 1iye n SER 44 Cb 0.48 1.25 0.66 0.00 -0.26 0.00 0.00 64.21 66.34 1iye n SER 44 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1iye h HIS 45 N 1.59 0.00 -0.57 7.33 2.07 -1.81 -1.23 115.15 122.53 1iye h HIS 45 Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1iye h HIS 45 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 1iye h HIS 45 CO 0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 1iye n LYS 46 N -3.09 2.71 0.00 5.12 5.02 -1.26 -5.05 118.16 121.61 1iye n LYS 46 Ca 0.01 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1iye n LYS 46 Cb 0.32 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1iye n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iye n GLY 47 N 1.25 -1.84 3.69 0.72 0.00 -0.47 -4.83 105.19 103.72 1iye n GLY 47 Ca 0.20 -1.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 1iye n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iye n PRO 48 N 0.00 2.61 -4.02 1.61 -0.04 -1.26 -1.95 135.00 131.95 1iye n PRO 48 Ca 0.00 0.95 -0.16 0.00 -0.04 0.00 0.00 63.50 64.24 1iye n PRO 48 Cb 0.00 -2.80 -0.15 0.00 -0.04 0.00 0.00 33.50 30.50 1iye n PRO 48 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iye s VAL 49 N 2.11 0.27 -0.16 0.52 -7.23 0.56 -1.20 120.40 115.27 1iye s VAL 49 Ca 0.81 -0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 60.73 1iye s VAL 49 Cb -0.54 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 1iye s VAL 49 CO 0.37 0.13 0.62 -0.69 -0.31 0.00 0.00 175.10 175.22 1iye s VAL 50 N 0.54 5.05 -0.11 1.32 1.01 0.93 0.36 120.40 129.51 1iye s VAL 50 Ca -0.06 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1iye s VAL 50 Cb -0.09 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1iye s VAL 50 CO -0.01 0.17 1.08 0.12 0.00 0.00 0.00 175.10 176.47 1iye s PHE 51 N 1.49 3.36 -1.44 5.22 5.36 -0.55 -1.35 117.98 130.08 1iye s PHE 51 Ca 0.30 1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 57.65 1iye s PHE 51 Cb -0.16 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.24 1iye s PHE 51 CO 0.12 -0.66 0.27 0.54 -1.46 0.00 0.00 175.22 174.04 1iye n ARG 52 N 5.31 -1.76 0.28 10.12 1.74 0.14 -4.64 116.66 127.84 1iye n ARG 52 Ca 0.10 0.23 -0.16 0.00 -0.77 0.00 0.00 57.85 57.24 1iye n ARG 52 Cb 0.47 -3.85 -0.08 0.00 -1.02 0.00 0.00 32.46 27.98 1iye n ARG 52 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1iye h HIS 53 N -1.91 -0.90 -0.88 -1.55 2.76 -1.77 -2.59 115.15 108.31 1iye h HIS 53 Ca -0.66 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.51 1iye h HIS 53 Cb 1.39 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 30.64 1iye h HIS 53 CO 0.48 -0.50 0.55 -0.09 -1.30 0.00 0.00 177.93 177.07 1iye h ARG 54 N -0.80 1.19 -0.99 5.26 2.43 -1.93 -2.16 114.38 117.37 1iye h ARG 54 Ca -0.05 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1iye h ARG 54 Cb 0.67 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1iye h ARG 54 CO 0.02 0.81 0.65 0.93 -1.51 0.00 0.00 179.97 180.88 1iye h GLU 55 N 1.21 1.31 -0.41 0.20 3.07 -1.92 0.70 114.58 118.74 1iye h GLU 55 Ca 0.32 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.95 1iye h GLU 55 Cb -0.09 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.52 1iye h GLU 55 CO -0.06 0.87 -0.31 0.45 -1.40 0.00 0.00 179.01 178.55 1iye h HIS 56 N 1.35 1.07 -0.03 4.33 3.86 -1.02 -1.43 115.15 123.28 1iye h HIS 56 Ca 0.36 -0.29 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 1iye h HIS 56 Cb -0.15 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 1iye h HIS 56 CO -0.00 1.10 -0.53 0.52 0.86 0.00 0.00 177.93 179.88 1iye h MET 57 N 0.76 0.08 -0.38 2.45 2.86 -1.02 -1.57 114.93 118.11 1iye h MET 57 Ca 0.08 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1iye h MET 57 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1iye h MET 57 CO 0.08 0.59 -0.12 0.37 1.06 0.00 0.00 176.91 178.89 1iye h GLN 58 N 0.06 0.76 -0.38 1.72 5.75 -0.70 -1.61 115.11 120.71 1iye h GLN 58 Ca -0.00 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 1iye h GLN 58 Cb 0.95 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 1iye h GLN 58 CO 0.07 0.91 -0.05 -0.09 -2.65 0.00 0.00 178.83 177.03 1iye h ARG 59 N 0.56 0.63 -0.14 1.69 2.43 -1.04 0.79 114.38 119.30 1iye h ARG 59 Ca 0.09 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1iye h ARG 59 Cb 0.65 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1iye h ARG 59 CO 0.04 0.68 0.07 1.25 -1.51 0.00 0.00 179.97 180.50 1iye h LEU 60 N 0.59 0.10 -0.93 3.80 6.46 -1.01 0.24 115.31 124.57 1iye h LEU 60 Ca 0.12 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1iye h LEU 60 Cb 0.44 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1iye h LEU 60 CO 0.02 0.08 0.61 0.45 -0.62 0.00 0.00 178.44 178.99 1iye h HIS 61 N 0.15 1.16 -0.51 1.25 3.86 -0.72 -1.90 115.15 118.44 1iye h HIS 61 Ca 0.06 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1iye h HIS 61 Cb 0.01 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 1iye h HIS 61 CO -0.09 0.71 0.04 -0.44 0.86 0.00 0.00 177.93 179.01 1iye h ASP 62 N 1.23 0.85 -0.78 2.45 3.32 -0.06 -0.59 116.42 122.83 1iye h ASP 62 Ca 0.35 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1iye h ASP 62 Cb -0.10 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 1iye h ASP 62 CO -0.09 0.92 0.47 0.28 -1.72 0.00 0.00 179.24 179.11 1iye h SER 63 N 0.75 0.94 -0.26 6.45 0.02 -0.15 -2.01 113.55 119.28 1iye h SER 63 Ca 0.15 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1iye h SER 63 Cb 0.46 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1iye h SER 63 CO 0.02 0.73 0.01 0.00 -1.14 0.00 0.00 176.83 176.44 1iye h ALA 64 N 1.25 0.35 -0.74 3.77 0.00 -1.16 -3.12 119.26 119.61 1iye h ALA 64 Ca 0.28 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1iye h ALA 64 Cb -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 1iye h ALA 64 CO -0.05 0.08 0.35 -0.22 0.00 0.00 0.00 179.25 179.41 1iye h LYS 65 N 0.24 0.55 -0.62 0.00 3.64 -0.74 0.26 116.57 119.91 1iye h LYS 65 Ca 0.08 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1iye h LYS 65 Cb 0.41 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1iye h LYS 65 CO 0.01 0.37 0.41 0.82 -2.27 0.00 0.00 179.45 178.79 1iye h ILE 66 N 0.57 1.08 -0.04 2.00 2.04 -1.32 -1.29 117.51 120.55 1iye h ILE 66 Ca 0.38 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1iye h ILE 66 Cb 0.47 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1iye h ILE 66 CO -0.31 0.13 0.00 -1.22 0.00 0.00 0.00 178.15 176.75 1iye n TYR 67 N -4.46 0.02 -2.28 1.37 4.02 -0.53 -4.95 117.16 110.33 1iye n TYR 67 Ca 0.08 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.90 57.79 1iye n TYR 67 Cb 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1iye n TYR 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1iye n ARG 68 N 1.09 -1.34 -2.47 -0.72 1.74 0.81 -4.96 116.66 110.81 1iye n ARG 68 Ca 0.15 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.64 1iye n ARG 68 Cb 0.54 -5.26 -0.02 0.00 -1.02 0.00 0.00 32.46 26.70 1iye n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1iye s PHE 69 N -2.83 2.99 0.17 -1.55 0.08 -0.49 -4.97 117.98 111.36 1iye s PHE 69 Ca 0.00 1.12 -0.31 0.00 0.12 0.00 0.00 56.93 57.86 1iye s PHE 69 Cb 0.00 -3.45 -0.09 0.00 -0.57 0.00 0.00 43.02 38.91 1iye s PHE 69 CO 0.00 -1.44 1.46 -1.25 -0.10 0.00 0.00 175.22 173.89 1iye s PRO 70 N 3.19 4.28 -0.21 0.24 0.04 -1.26 -4.57 135.00 136.71 1iye s PRO 70 Ca 0.53 2.23 0.02 0.00 0.04 0.00 0.00 61.00 63.82 1iye s PRO 70 Cb -0.21 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.19 1iye s PRO 70 CO 0.15 -0.48 -0.13 0.08 0.04 0.00 0.00 177.00 176.65 1iye s VAL 71 N 0.81 1.93 -0.04 -0.36 1.01 -1.26 -3.92 120.40 118.58 1iye s VAL 71 Ca 0.65 -1.20 0.16 0.00 0.00 0.00 0.00 61.98 61.59 1iye s VAL 71 Cb -0.40 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.11 1iye s VAL 71 CO 0.34 0.21 1.54 0.77 0.00 0.00 0.00 175.10 177.95 1iye h SER 72 N 7.90 0.00 -3.43 3.32 4.64 -1.94 -3.45 113.55 120.59 1iye h SER 72 Ca -0.30 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.48 1iye h SER 72 Cb 1.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1iye h SER 72 CO 0.52 0.48 0.12 -1.10 -0.87 0.00 0.00 176.83 175.98 1iye s GLN 73 N -3.16 4.46 0.83 4.77 1.11 -1.26 -5.07 119.66 121.35 1iye s GLN 73 Ca 0.03 1.03 -0.12 0.00 0.01 0.00 0.00 55.36 56.30 1iye s GLN 73 Cb 0.09 -3.30 0.09 0.00 -1.01 0.00 0.00 33.01 28.88 1iye s GLN 73 CO 0.73 0.47 1.19 -1.54 0.01 0.00 0.00 175.29 176.15 1iye s SER 74 N -0.71 4.31 0.18 5.90 1.04 -1.26 -4.86 113.70 118.31 1iye s SER 74 Ca 0.35 0.74 -0.10 0.00 0.48 0.00 0.00 55.95 57.42 1iye s SER 74 Cb -0.21 -1.19 0.08 0.00 0.10 0.00 0.00 66.02 64.80 1iye s SER 74 CO 0.23 -2.02 1.69 0.40 0.98 0.00 0.00 173.24 174.52 1iye h ILE 75 N -1.14 1.26 -0.66 -1.02 2.04 -1.97 -1.68 117.51 114.34 1iye h ILE 75 Ca -0.46 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1iye h ILE 75 Cb 1.32 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1iye h ILE 75 CO 0.63 0.36 0.21 0.44 0.00 0.00 0.00 178.15 179.80 1iye h ASP 76 N 0.96 0.93 -0.54 1.72 3.32 -1.99 -1.12 116.42 119.69 1iye h ASP 76 Ca 0.20 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 1iye h ASP 76 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1iye h ASP 76 CO 0.01 0.87 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.03 1iye h GLU 77 N 0.97 0.98 -0.25 3.56 5.08 -1.87 -1.35 114.58 121.70 1iye h GLU 77 Ca 0.22 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1iye h GLU 77 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1iye h GLU 77 CO -0.01 1.00 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.69 1iye h LEU 78 N 0.86 0.48 -0.49 1.33 3.38 -1.01 -1.47 115.31 118.39 1iye h LEU 78 Ca 0.15 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1iye h LEU 78 Cb 0.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1iye h LEU 78 CO 0.03 0.72 -0.26 0.24 0.09 0.00 0.00 178.44 179.27 1iye h MET 79 N 0.42 0.96 -0.42 1.13 2.86 -0.88 -1.38 114.93 117.62 1iye h MET 79 Ca 0.06 -0.43 -0.15 0.00 -2.06 0.00 0.00 59.70 57.12 1iye h MET 79 Cb 0.66 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1iye h MET 79 CO 0.05 1.10 -0.33 1.49 1.06 0.00 0.00 176.91 180.28 1iye h GLU 80 N 0.82 0.97 -0.74 1.72 4.57 -1.07 -2.04 114.58 118.81 1iye h GLU 80 Ca 0.10 -0.48 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 1iye h GLU 80 Cb 0.84 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1iye h GLU 80 CO 0.07 1.14 0.33 0.00 -1.18 0.00 0.00 179.01 179.37 1iye h ALA 81 N 0.81 0.96 -0.30 2.92 0.00 -1.18 0.93 119.26 123.39 1iye h ALA 81 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1iye h ALA 81 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1iye h ALA 81 CO 0.09 0.55 0.12 0.00 0.00 0.00 0.00 179.25 180.01 1iye h ARG 83 N 0.34 0.31 -0.38 0.00 3.08 -1.10 -2.29 114.38 114.33 1iye h ARG 83 Ca 0.10 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1iye h ARG 83 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1iye h ARG 83 CO -0.01 0.49 0.04 -0.44 -1.07 0.00 0.00 179.97 178.98 1iye h ASP 84 N 0.28 0.62 0.60 7.04 3.32 -0.30 -2.39 116.42 125.60 1iye h ASP 84 Ca 0.05 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1iye h ASP 84 Cb 0.50 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1iye h ASP 84 CO 0.03 0.75 -0.44 -0.37 -1.72 0.00 0.00 179.24 177.49 1iye h VAL 85 N 0.47 1.15 -0.47 -1.35 -1.51 -0.88 0.77 116.25 114.44 1iye h VAL 85 Ca 0.11 -1.58 -0.08 0.00 -1.23 0.00 0.00 66.70 63.92 1iye h VAL 85 Cb 0.41 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 1iye h VAL 85 CO 0.01 0.43 -0.02 0.40 -1.23 0.00 0.00 177.57 177.15 1iye h ILE 86 N 0.00 1.27 0.05 7.19 2.04 -1.25 -2.67 117.51 124.13 1iye h ILE 86 Ca -0.00 -1.10 -0.27 0.00 1.00 0.00 0.00 64.86 64.48 1iye h ILE 86 Cb 0.85 1.03 0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1iye h ILE 86 CO 0.06 0.38 -1.11 0.03 0.00 0.00 0.00 178.15 177.51 1iye h ARG 87 N 0.70 0.63 -0.04 2.37 3.08 -1.17 -0.72 114.38 119.23 1iye h ARG 87 Ca 0.13 -0.74 0.01 0.00 0.07 0.00 0.00 59.98 59.46 1iye h ARG 87 Cb 0.54 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1iye h ARG 87 CO 0.03 1.31 0.03 -0.22 -1.07 0.00 0.00 179.97 180.06 1iye h LYS 88 N 0.33 0.00 -0.50 0.04 1.63 -0.85 0.44 116.57 117.65 1iye h LYS 88 Ca -0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1iye h LYS 88 Cb 1.77 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 1iye h LYS 88 CO 0.21 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.30 1iye n ASN 89 N -4.46 3.03 -3.74 4.20 3.02 -1.01 -4.87 115.26 111.44 1iye n ASN 89 Ca -0.02 -1.97 -0.25 0.00 -0.03 0.00 0.00 54.58 52.32 1iye n ASN 89 Cb 0.13 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 39.02 1iye n ASN 89 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1iye n ASN 90 N 1.17 -3.56 -4.70 6.41 5.03 0.14 -4.90 115.26 114.85 1iye n ASN 90 Ca 0.19 -0.74 -0.31 0.00 0.87 0.00 0.00 54.58 54.59 1iye n ASN 90 Cb 0.50 -4.26 -0.08 0.00 -1.02 0.00 0.00 39.78 34.92 1iye n ASN 90 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1iye s LEU 91 N -6.99 3.55 -0.06 3.41 1.43 -0.29 -4.99 118.68 114.74 1iye s LEU 91 Ca 0.36 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1iye s LEU 91 Cb -0.17 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 1iye s LEU 91 CO 0.80 0.23 0.01 0.35 0.23 0.00 0.00 176.35 177.97 1iye n THR 92 N 0.97 0.43 -4.36 5.49 -2.24 -1.26 -4.59 114.28 108.71 1iye n THR 92 Ca -0.12 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 1iye n THR 92 Cb 0.52 -0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 67.79 1iye n THR 92 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1iye s SER 93 N -3.88 1.56 0.00 3.42 1.04 -1.26 -3.93 113.70 110.65 1iye s SER 93 Ca -0.04 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1iye s SER 93 Cb 0.02 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1iye s SER 93 CO 0.25 0.04 0.00 0.00 0.98 0.00 0.00 173.24 174.51 1iye n ALA 94 N 2.04 0.00 -2.83 5.32 0.00 -0.31 -4.64 120.51 120.08 1iye n ALA 94 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 1iye n ALA 94 Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1iye n ALA 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1iye s TYR 95 N -2.00 3.04 -0.09 0.00 5.04 0.16 0.07 117.35 123.57 1iye s TYR 95 Ca 0.00 -0.14 0.02 0.00 -2.44 0.00 0.00 57.07 54.51 1iye s TYR 95 Cb 0.00 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 1iye s TYR 95 CO 0.00 0.13 -0.14 0.42 -1.34 0.00 0.00 175.55 174.62 1iye s ILE 96 N -0.07 3.01 -0.42 3.14 1.09 0.19 -1.09 121.20 127.05 1iye s ILE 96 Ca 0.02 -0.71 0.03 0.00 -1.10 0.00 0.00 60.65 58.90 1iye s ILE 96 Cb -0.13 -2.22 0.12 0.00 -1.06 0.00 0.00 42.46 39.17 1iye s ILE 96 CO 0.02 0.55 0.17 -0.60 -0.10 0.00 0.00 174.94 174.98 1iye s ARG 97 N -0.12 1.58 0.26 2.79 6.06 0.16 -1.31 118.95 128.38 1iye s ARG 97 Ca -0.02 -2.12 -0.22 0.00 -2.50 0.00 0.00 55.73 50.87 1iye s ARG 97 Cb -0.14 -3.02 -0.09 0.00 0.06 0.00 0.00 34.95 31.77 1iye s ARG 97 CO 0.04 -1.04 0.80 -2.14 -2.50 0.00 0.00 175.30 170.46 1iye s PRO 98 N 0.41 4.37 -0.09 5.12 0.02 -1.23 -2.12 135.00 141.47 1iye s PRO 98 Ca 0.14 1.03 -0.03 0.00 0.02 0.00 0.00 61.00 62.16 1iye s PRO 98 Cb -0.22 -2.85 0.05 0.00 0.02 0.00 0.00 34.50 31.50 1iye s PRO 98 CO -0.05 0.35 0.15 -1.17 -0.33 0.00 0.00 177.00 175.95 1iye s LEU 99 N -2.01 -0.04 -0.21 -5.54 0.20 0.11 -2.06 118.68 109.12 1iye s LEU 99 Ca 0.46 0.22 -0.06 0.00 0.69 0.00 0.00 54.13 55.44 1iye s LEU 99 Cb -0.17 0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.79 1iye s LEU 99 CO 0.22 -0.26 0.02 -0.63 -0.29 0.00 0.00 176.35 175.41 1iye s ILE 100 N 2.28 4.05 0.01 6.68 1.01 0.06 -0.58 121.20 134.71 1iye s ILE 100 Ca 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 1iye s ILE 100 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1iye s ILE 100 CO -0.06 0.41 0.07 0.72 0.00 0.00 0.00 174.94 176.08 1iye s PHE 101 N 1.15 0.13 -0.03 3.97 -0.12 -0.48 -0.47 117.98 122.14 1iye s PHE 101 Ca 0.03 -0.31 -0.30 0.00 -0.05 0.00 0.00 56.93 56.30 1iye s PHE 101 Cb -0.14 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1iye s PHE 101 CO 0.02 -0.26 1.17 0.08 -0.05 0.00 0.00 175.22 176.18 1iye s VAL 102 N -1.51 4.30 0.00 -2.49 1.01 -0.69 -1.01 120.40 120.01 1iye s VAL 102 Ca -0.14 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1iye s VAL 102 Cb -0.08 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1iye s VAL 102 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1iye n GLY 103 N 3.28 1.62 3.57 4.51 0.00 -1.26 -1.58 105.19 115.33 1iye n GLY 103 Ca 0.10 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1iye n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iye s ASP 104 N -1.00 5.87 0.00 1.61 3.68 -1.26 -0.24 116.67 125.33 1iye s ASP 104 Ca 0.00 -1.42 0.00 0.00 2.13 0.00 0.00 52.55 53.26 1iye s ASP 104 Cb 0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 1iye s ASP 104 CO 0.00 -2.12 0.70 1.33 0.13 0.00 0.00 175.17 175.21 1iye n VAL 105 N 7.28 0.48 0.00 1.11 0.24 -1.26 -5.00 118.33 121.18 1iye n VAL 105 Ca 0.40 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1iye n VAL 105 Cb 0.48 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1iye n VAL 105 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iye n GLY 106 N -0.24 2.68 3.91 7.63 0.00 -1.26 -4.61 105.19 113.30 1iye n GLY 106 Ca 0.00 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 1iye n GLY 106 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iye s MET 107 N -2.99 2.14 0.00 1.61 -1.94 -1.26 -4.79 119.30 112.07 1iye s MET 107 Ca 0.00 0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 1iye s MET 107 Cb 0.00 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.81 1iye s MET 107 CO 0.00 -1.42 0.00 0.41 -0.01 0.00 0.00 175.02 174.00 1iye n GLY 108 N -3.16 1.29 0.40 -0.03 0.00 -1.26 -4.88 105.19 97.54 1iye n GLY 108 Ca 0.08 -1.13 0.30 0.00 0.00 0.00 0.00 46.02 45.27 1iye n GLY 108 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iye h VAL 109 N 0.00 0.22 -3.58 1.61 3.04 -2.00 -3.36 116.25 112.18 1iye h VAL 109 Ca 0.00 -0.07 -0.61 0.00 -1.01 0.00 0.00 66.70 65.01 1iye h VAL 109 Cb 0.00 0.01 -0.12 0.00 -2.01 0.00 0.00 31.29 29.17 1iye h VAL 109 CO 0.00 0.04 0.41 0.20 -1.01 0.00 0.00 177.57 177.21 1iye s ASN 110 N -4.73 6.51 0.58 3.17 -0.87 -1.26 -5.04 114.94 113.30 1iye s ASN 110 Ca -0.09 0.19 -0.19 0.00 -1.57 0.00 0.00 52.86 51.20 1iye s ASN 110 Cb 0.30 -2.40 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 1iye s ASN 110 CO 0.80 -0.84 1.22 -2.84 -2.57 0.00 0.00 177.10 172.88 1iye s PRO 111 N 3.28 3.03 0.42 -0.60 0.02 -1.26 -4.96 135.00 134.93 1iye s PRO 111 Ca 0.32 1.88 -0.26 0.00 0.02 0.00 0.00 61.00 62.96 1iye s PRO 111 Cb -0.12 -1.99 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 1iye s PRO 111 CO 0.20 -1.17 1.36 -1.25 -0.33 0.00 0.00 177.00 175.81 1iye s PRO 112 N -3.24 3.86 0.34 5.54 0.04 -1.26 -4.92 135.00 135.35 1iye s PRO 112 Ca 0.76 2.28 -0.27 0.00 0.04 0.00 0.00 61.00 63.81 1iye s PRO 112 Cb -0.32 -2.72 -0.13 0.00 0.04 0.00 0.00 34.50 31.37 1iye s PRO 112 CO 0.35 -0.63 1.05 0.00 0.04 0.00 0.00 177.00 177.81 1iye n ALA 113 N 0.01 0.13 -0.92 8.56 0.00 -1.26 -2.22 120.51 124.81 1iye n ALA 113 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1iye n ALA 113 Cb 0.43 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1iye n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iye n GLY 114 N 1.14 0.54 3.78 0.00 0.00 -1.26 -5.04 105.19 104.35 1iye n GLY 114 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1iye n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iye s TYR 115 N -2.00 2.73 0.22 1.61 -0.85 -0.94 -5.08 117.35 113.04 1iye s TYR 115 Ca 0.00 1.23 0.08 0.00 -0.52 0.00 0.00 57.07 57.87 1iye s TYR 115 Cb 0.00 -3.10 -0.05 0.00 0.38 0.00 0.00 41.96 39.19 1iye s TYR 115 CO 0.00 -1.86 -0.15 -1.12 -1.52 0.00 0.00 175.55 170.90 1iye s SER 116 N -3.74 2.75 0.16 -0.18 0.01 -1.26 -4.81 113.70 106.63 1iye s SER 116 Ca 0.61 -1.03 0.05 0.00 1.31 0.00 0.00 55.95 56.89 1iye s SER 116 Cb -0.15 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1iye s SER 116 CO 0.55 -0.14 0.15 0.42 0.41 0.00 0.00 173.24 174.62 1iye s THR 117 N -2.90 4.54 0.15 1.44 -4.23 -1.25 -4.50 115.64 108.89 1iye s THR 117 Ca 0.24 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1iye s THR 117 Cb -0.01 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1iye s THR 117 CO 0.08 -0.11 0.37 -1.81 -0.54 0.00 0.00 174.62 172.62 1iye s ASP 118 N -3.11 6.46 -0.03 3.99 1.01 -0.18 -4.92 116.67 119.88 1iye s ASP 118 Ca 0.31 0.53 0.01 0.00 0.71 0.00 0.00 52.55 54.12 1iye s ASP 118 Cb -0.10 -2.07 0.02 0.00 1.01 0.00 0.00 42.92 41.78 1iye s ASP 118 CO 0.24 0.03 -0.04 -0.69 0.21 0.00 0.00 175.17 174.92 1iye s VAL 119 N -1.71 0.46 0.12 -1.27 1.01 -1.26 -1.38 120.40 116.37 1iye s VAL 119 Ca 0.40 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.34 1iye s VAL 119 Cb -0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1iye s VAL 119 CO 0.26 0.19 -0.23 -0.63 0.00 0.00 0.00 175.10 174.69 1iye s ILE 120 N 0.62 1.92 -0.27 2.22 1.09 0.25 -1.60 121.20 125.42 1iye s ILE 120 Ca -0.08 -1.67 -0.02 0.00 -1.10 0.00 0.00 60.65 57.79 1iye s ILE 120 Cb -0.11 -1.75 0.12 0.00 -1.06 0.00 0.00 42.46 39.66 1iye s ILE 120 CO -0.00 -0.04 0.24 -0.63 -0.10 0.00 0.00 174.94 174.41 1iye s ILE 121 N -1.23 -0.31 -0.09 2.92 1.01 -0.69 0.05 121.20 122.85 1iye s ILE 121 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1iye s ILE 121 Cb -0.10 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1iye s ILE 121 CO 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 174.94 174.51 1iye s ALA 122 N 2.29 3.28 -0.02 9.38 0.00 -0.90 -2.25 121.76 133.54 1iye s ALA 122 Ca 0.09 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1iye s ALA 122 Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1iye s ALA 122 CO -0.30 0.56 -0.18 0.00 0.00 0.00 0.00 175.76 175.84 1iye s ALA 123 N -0.78 1.50 -0.01 0.00 0.00 -1.26 0.41 121.76 121.63 1iye s ALA 123 Ca 0.12 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1iye s ALA 123 Cb -0.11 -0.42 0.10 0.00 0.00 0.00 0.00 23.12 22.68 1iye s ALA 123 CO 0.02 0.33 0.91 -0.59 0.00 0.00 0.00 175.76 176.43 1iye s PHE 124 N -0.26 -0.33 0.30 0.00 -0.12 -0.25 -4.61 117.98 112.72 1iye s PHE 124 Ca 0.03 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 56.81 1iye s PHE 124 Cb -0.08 0.54 -0.10 0.00 -0.63 0.00 0.00 43.02 42.75 1iye s PHE 124 CO 0.00 -0.54 1.21 -2.14 -0.05 0.00 0.00 175.22 173.71 1iye s PRO 125 N -3.09 4.49 -0.12 1.99 0.02 -1.26 0.40 135.00 137.42 1iye s PRO 125 Ca 0.05 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 63.05 1iye s PRO 125 Cb -0.01 -3.13 0.06 0.00 0.02 0.00 0.00 34.50 31.44 1iye s PRO 125 CO -0.08 -0.00 0.24 -0.46 -0.33 0.00 0.00 177.00 176.37 1iye s TRP 126 N -1.11 -0.38 1.19 6.54 -0.00 -1.26 -4.73 118.94 119.20 1iye s TRP 126 Ca 0.47 0.90 -0.19 0.00 -0.00 0.00 0.00 56.10 57.28 1iye s TRP 126 Cb -0.36 -0.07 0.28 0.00 -0.00 0.00 0.00 33.47 33.32 1iye s TRP 126 CO 0.47 -0.33 1.12 0.20 -0.00 0.00 0.00 176.95 178.41 1iye s GLY 127 N 2.33 1.59 -0.13 5.86 0.00 -1.26 -4.86 107.32 110.85 1iye s GLY 127 Ca 0.01 -0.95 -0.38 0.00 0.00 0.00 0.00 44.72 43.40 1iye s GLY 127 CO -0.08 -0.08 1.68 0.00 0.00 0.00 0.00 173.10 174.63 1iye n ALA 128 N -4.71 0.00 -0.33 3.20 0.00 -1.26 -4.83 120.51 112.57 1iye n ALA 128 Ca 0.13 0.39 0.20 0.00 0.00 0.00 0.00 53.44 54.16 1iye n ALA 128 Cb 0.59 -2.26 0.41 0.00 0.00 0.00 0.00 19.45 18.19 1iye n ALA 128 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iye h TYR 129 N 7.02 0.89 -0.38 0.00 3.20 -1.87 -2.21 116.97 123.61 1iye h TYR 129 Ca -0.47 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1iye h TYR 129 Cb 1.31 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1iye h TYR 129 CO 0.75 -0.08 0.00 1.28 -1.64 0.00 0.00 178.16 178.47 1iye n LEU 130 N -5.01 3.62 0.00 2.82 4.77 -1.26 -4.99 117.00 116.95 1iye n LEU 130 Ca 0.28 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1iye n LEU 130 Cb 0.85 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1iye n LEU 130 CO 0.12 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1iye n GLY 131 N 0.32 4.02 0.17 -0.72 0.00 -0.83 -4.59 105.19 103.57 1iye n GLY 131 Ca 0.18 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1iye n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iye h ALA 132 N 0.00 1.00 0.00 4.61 0.00 -1.98 -2.41 119.26 120.48 1iye h ALA 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iye h ALA 132 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iye h ALA 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1iye n GLU 133 N -2.40 0.04 0.23 0.00 -0.58 -1.26 -4.82 120.64 111.85 1iye n GLU 133 Ca 0.00 -0.76 -0.16 0.00 -0.42 0.00 0.00 57.16 55.83 1iye n GLU 133 Cb 0.15 -1.00 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1iye n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iye h ALA 134 N 0.00 -0.81 -0.81 0.62 0.00 -1.68 0.43 119.26 117.01 1iye h ALA 134 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1iye h ALA 134 Cb 0.13 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1iye h ALA 134 CO 0.00 -0.99 0.53 -0.07 0.00 0.00 0.00 179.25 178.72 1iye h LEU 135 N -0.77 0.84 0.01 0.00 3.38 -1.84 0.79 115.31 117.72 1iye h LEU 135 Ca -0.03 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1iye h LEU 135 Cb 0.69 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1iye h LEU 135 CO -0.07 0.56 -0.18 -0.33 0.09 0.00 0.00 178.44 178.51 1iye h GLU 136 N 0.96 0.03 0.00 1.13 3.07 -1.84 -3.41 114.58 114.53 1iye h GLU 136 Ca 0.33 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1iye h GLU 136 Cb 0.10 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1iye h GLU 136 CO -0.10 1.02 -0.87 1.04 -1.40 0.00 0.00 179.01 178.70 1iye n GLN 137 N -4.54 1.01 0.00 2.33 6.02 0.15 -4.71 117.38 117.63 1iye n GLN 137 Ca -0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1iye n GLN 137 Cb 0.53 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1iye n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iye n GLY 138 N 1.43 -0.50 3.21 1.08 0.00 0.27 -4.63 105.19 106.05 1iye n GLY 138 Ca 0.03 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1iye n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iye s ILE 139 N -1.43 0.53 -0.27 -0.61 -5.25 -0.06 -4.59 121.20 109.51 1iye s ILE 139 Ca 0.00 -1.96 -0.13 0.00 -0.99 0.00 0.00 60.65 57.57 1iye s ILE 139 Cb 0.00 -2.07 -0.04 0.00 2.95 0.00 0.00 42.46 43.29 1iye s ILE 139 CO 0.00 -0.50 0.28 -1.81 -1.79 0.00 0.00 174.94 171.12 1iye s ASP 140 N -3.13 6.15 0.31 4.36 1.01 -1.26 -1.03 116.67 123.08 1iye s ASP 140 Ca 0.23 0.16 0.08 0.00 0.71 0.00 0.00 52.55 53.73 1iye s ASP 140 Cb 0.06 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 1iye s ASP 140 CO 0.03 -0.10 0.23 0.00 0.21 0.00 0.00 175.17 175.54 1iye s ALA 141 N 1.80 3.69 -0.01 5.23 0.00 0.24 -1.70 121.76 131.02 1iye s ALA 141 Ca 0.11 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1iye s ALA 141 Cb -0.16 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1iye s ALA 141 CO 0.10 0.09 -0.05 1.41 0.00 0.00 0.00 175.76 177.31 1iye s MET 142 N -3.92 0.43 -0.22 0.00 1.75 -0.56 -0.77 119.30 116.02 1iye s MET 142 Ca 0.38 -0.17 -0.27 0.00 -1.25 0.00 0.00 55.69 54.38 1iye s MET 142 Cb -0.06 -0.42 -0.00 0.00 2.84 0.00 0.00 34.83 37.19 1iye s MET 142 CO 0.25 0.09 0.93 0.08 -0.65 0.00 0.00 175.02 175.73 1iye s VAL 143 N -0.04 4.77 0.66 10.11 1.01 -1.26 0.00 120.40 135.66 1iye s VAL 143 Ca 0.01 1.81 -0.14 0.00 0.00 0.00 0.00 61.98 63.66 1iye s VAL 143 Cb -0.03 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1iye s VAL 143 CO -0.00 -0.10 1.07 -0.55 0.00 0.00 0.00 175.10 175.53 1iye s SER 144 N 1.23 5.34 0.00 3.32 0.15 0.54 -4.90 113.70 119.39 1iye s SER 144 Ca 0.40 1.81 0.22 0.00 0.70 0.00 0.00 55.95 59.08 1iye s SER 144 Cb -0.16 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.35 1iye s SER 144 CO 0.08 -1.47 1.54 -1.54 1.20 0.00 0.00 173.24 173.05 1iye n SER 145 N -2.60 1.89 -4.57 5.45 3.41 -1.26 -4.72 113.62 111.22 1iye n SER 145 Ca 0.09 -1.73 -0.34 0.00 -0.26 0.00 0.00 58.87 56.63 1iye n SER 145 Cb 0.53 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 1iye n SER 145 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1iye s TRP 146 N -1.78 3.02 0.30 7.33 0.52 -1.26 -5.12 118.94 121.94 1iye s TRP 146 Ca 0.33 -0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.41 1iye s TRP 146 Cb 0.18 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 1iye s TRP 146 CO 0.28 0.22 0.46 -0.80 0.02 0.00 0.00 176.95 177.12 1iye s ASN 147 N -0.37 6.28 0.56 2.95 -0.87 -1.26 -4.36 114.94 117.86 1iye s ASN 147 Ca 0.06 0.24 -0.15 0.00 -1.57 0.00 0.00 52.86 51.43 1iye s ASN 147 Cb -0.12 -1.90 -0.06 0.00 -0.02 0.00 0.00 41.25 39.15 1iye s ASN 147 CO 0.02 -0.21 1.02 -0.13 -2.57 0.00 0.00 177.10 175.23 1iye s ARG 148 N -4.16 3.67 0.26 -0.60 1.81 -0.45 -4.98 118.95 114.50 1iye s ARG 148 Ca 0.38 1.00 -0.30 0.00 -1.72 0.00 0.00 55.73 55.09 1iye s ARG 148 Cb -0.09 -2.09 -0.14 0.00 -0.45 0.00 0.00 34.95 32.17 1iye s ARG 148 CO 0.33 -0.51 1.15 0.00 -0.68 0.00 0.00 175.30 175.59 1iye n ALA 149 N -1.95 0.07 -1.63 2.13 0.00 -1.26 -4.08 120.51 113.79 1iye n ALA 149 Ca 0.07 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 1iye n ALA 149 Cb 0.54 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.91 1iye n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iye s ALA 150 N -0.66 2.68 0.56 0.00 0.00 -1.26 -4.81 121.76 118.27 1iye s ALA 150 Ca 0.64 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 1iye s ALA 150 Cb -0.71 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.12 1iye s ALA 150 CO 0.56 -0.94 1.28 -2.30 0.00 0.00 0.00 175.76 174.36 1iye n PRO 151 N -2.22 1.49 -2.14 0.00 -0.02 -1.26 -2.80 135.00 128.04 1iye n PRO 151 Ca 0.09 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.93 1iye n PRO 151 Cb 0.53 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1iye n PRO 151 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1iye n ASN 152 N -1.01 -5.49 0.00 2.55 5.15 -1.26 -4.87 115.26 110.34 1iye n ASN 152 Ca 0.12 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1iye n ASN 152 Cb 0.45 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 1iye n ASN 152 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1iye n THR 153 N -3.58 0.00 -4.59 -0.44 -2.24 -1.12 -4.99 114.28 97.32 1iye n THR 153 Ca -0.22 0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1iye n THR 153 Cb 0.66 -1.12 -0.17 0.00 -2.10 0.00 0.00 70.33 67.60 1iye n THR 153 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1iye s ILE 154 N -0.77 1.57 0.03 2.28 -4.36 -1.26 -5.09 121.20 113.60 1iye s ILE 154 Ca 0.00 -0.70 -0.33 0.00 -0.26 0.00 0.00 60.65 59.37 1iye s ILE 154 Cb 0.00 -1.42 -0.11 0.00 1.25 0.00 0.00 42.46 42.18 1iye s ILE 154 CO 0.00 0.45 1.84 -2.65 0.24 0.00 0.00 174.94 174.82 1iye n PRO 155 N 4.05 2.47 -0.01 0.37 -0.02 -1.26 -4.86 135.00 135.74 1iye n PRO 155 Ca -0.20 0.90 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1iye n PRO 155 Cb 0.52 -2.77 0.48 0.00 -0.02 0.00 0.00 33.50 31.70 1iye n PRO 155 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1iye n THR 156 N 4.83 0.04 0.70 3.45 -2.24 -1.26 -3.30 114.28 116.49 1iye n THR 156 Ca 0.20 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1iye n THR 156 Cb 0.34 0.54 0.35 0.00 -2.10 0.00 0.00 70.33 69.46 1iye n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iye n ALA 157 N 0.28 2.61 -2.72 6.98 0.00 -1.26 -4.03 120.51 122.36 1iye n ALA 157 Ca 0.18 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1iye n ALA 157 Cb 0.37 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1iye n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iye s ALA 158 N -3.10 3.83 -0.76 0.00 0.00 -1.21 -4.67 121.76 115.85 1iye s ALA 158 Ca 0.10 -0.60 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1iye s ALA 158 Cb 0.14 -2.08 0.20 0.00 0.00 0.00 0.00 23.12 21.38 1iye s ALA 158 CO 0.64 0.69 0.63 0.21 0.00 0.00 0.00 175.76 177.93 1iye s LYS 159 N -2.43 3.08 0.12 0.00 2.20 -1.26 -5.02 119.74 116.43 1iye s LYS 159 Ca 0.37 -2.71 0.11 0.00 -0.36 0.00 0.00 55.97 53.37 1iye s LYS 159 Cb -0.13 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 1iye s LYS 159 CO 0.23 -1.23 -0.26 0.00 -0.36 0.00 0.00 175.35 173.74 1iye s ALA 160 N -0.35 2.41 0.15 3.13 0.00 -1.26 -1.39 121.76 124.45 1iye s ALA 160 Ca 0.20 -1.44 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 1iye s ALA 160 Cb -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1iye s ALA 160 CO -0.07 0.55 1.61 0.78 0.00 0.00 0.00 175.76 178.63 1iye h GLY 161 N 3.93 -0.32 0.37 0.00 0.00 -0.83 -1.90 103.07 104.33 1iye h GLY 161 Ca -0.50 0.38 0.20 0.00 0.00 0.00 0.00 47.33 47.41 1iye h GLY 161 CO 0.40 -0.21 0.62 -1.33 0.00 0.00 0.00 176.54 176.02 1iye h GLY 162 N -0.32 0.00 0.95 4.60 0.00 -1.64 -1.09 103.07 105.57 1iye h GLY 162 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1iye h GLY 162 CO -0.42 0.00 0.59 3.43 0.00 0.00 0.00 176.54 180.14 1iye h ASN 163 N 0.00 0.96 0.08 0.19 2.35 -1.66 -3.20 115.58 114.30 1iye h ASN 163 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1iye h ASN 163 Cb 1.57 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1iye h ASN 163 CO -0.00 0.65 0.00 -1.22 -1.65 0.00 0.00 177.43 175.21 1iye n TYR 164 N -4.45 0.00 -0.12 1.19 4.02 -0.41 -2.29 117.16 115.09 1iye n TYR 164 Ca 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.98 1iye n TYR 164 Cb 0.13 -0.10 0.18 0.00 -0.02 0.00 0.00 39.34 39.53 1iye n TYR 164 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1iye h LEU 165 N 0.00 0.77 -0.20 7.72 3.38 -1.76 0.10 115.31 125.32 1iye h LEU 165 Ca 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1iye h LEU 165 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1iye h LEU 165 CO 0.00 0.77 -0.04 -1.28 0.09 0.00 0.00 178.44 177.99 1iye h SER 166 N 0.78 0.37 -0.77 -0.43 0.87 -1.72 -2.07 113.55 110.58 1iye h SER 166 Ca 0.17 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1iye h SER 166 Cb 0.33 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1iye h SER 166 CO 0.00 0.64 0.50 0.28 -0.53 0.00 0.00 176.83 177.73 1iye h SER 167 N 0.10 0.78 -0.37 6.23 0.02 -1.54 -1.24 113.55 117.54 1iye h SER 167 Ca 0.05 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1iye h SER 167 Cb 0.47 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1iye h SER 167 CO 0.02 0.53 0.11 0.25 -1.14 0.00 0.00 176.83 176.60 1iye h LEU 168 N 0.90 0.53 -0.27 5.07 5.85 -0.57 0.12 115.31 126.95 1iye h LEU 168 Ca 0.31 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1iye h LEU 168 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1iye h LEU 168 CO -0.10 0.60 0.14 -0.07 -0.34 0.00 0.00 178.44 178.67 1iye h LEU 169 N 0.44 0.34 -0.15 2.25 3.38 -0.72 -0.70 115.31 120.16 1iye h LEU 169 Ca 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1iye h LEU 169 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1iye h LEU 169 CO -0.00 0.33 -0.03 0.58 0.09 0.00 0.00 178.44 179.41 1iye h VAL 170 N 0.31 1.28 -0.40 1.22 2.07 -1.15 -2.54 116.25 117.05 1iye h VAL 170 Ca 0.09 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 1iye h VAL 170 Cb 0.07 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1iye h VAL 170 CO -0.01 0.28 -0.19 1.23 0.02 0.00 0.00 177.57 178.89 1iye h GLY 171 N -0.02 0.90 1.78 2.17 0.00 -0.75 -2.91 103.07 104.24 1iye h GLY 171 Ca 0.04 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 1iye h GLY 171 CO 0.01 0.74 -0.36 1.48 0.00 0.00 0.00 176.54 178.41 1iye h SER 172 N 0.64 0.25 -0.37 0.19 4.64 -1.20 -2.33 113.55 115.38 1iye h SER 172 Ca 0.09 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1iye h SER 172 Cb 0.75 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1iye h SER 172 CO 0.06 0.61 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.36 1iye h GLU 173 N 0.21 0.86 -0.20 4.77 4.81 -1.39 0.01 114.58 123.64 1iye h GLU 173 Ca 0.02 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1iye h GLU 173 Cb 0.75 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1iye h GLU 173 CO 0.06 0.97 -0.01 0.00 -0.73 0.00 0.00 179.01 179.30 1iye h ALA 174 N 1.03 0.28 -0.75 2.92 0.00 -1.34 -2.77 119.26 118.63 1iye h ALA 174 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1iye h ALA 174 Cb 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1iye h ALA 174 CO 0.05 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.65 1iye h ARG 175 N 0.12 1.09 0.00 0.00 3.08 -1.28 -0.24 114.38 117.15 1iye h ARG 175 Ca 0.06 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1iye h ARG 175 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1iye h ARG 175 CO 0.01 0.85 -0.34 0.00 -1.07 0.00 0.00 179.97 179.42 1iye h ARG 176 N 1.08 0.00 -0.51 0.04 3.08 -0.93 -2.82 114.38 114.32 1iye h ARG 176 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1iye h ARG 176 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1iye h ARG 176 CO -0.03 0.34 0.00 0.72 -1.07 0.00 0.00 179.97 179.93 1iye n HIS 177 N -3.83 0.72 -0.24 3.04 8.25 -1.00 -4.92 115.22 117.24 1iye n HIS 177 Ca -0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1iye n HIS 177 Cb 0.41 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1iye n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iye n GLY 178 N 1.17 0.68 3.99 -1.41 0.00 -1.06 -5.07 105.19 103.49 1iye n GLY 178 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1iye n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iye s TYR 179 N -2.38 2.99 -0.16 1.61 1.51 -0.14 -5.00 117.35 115.79 1iye s TYR 179 Ca 0.00 -0.23 0.20 0.00 -1.01 0.00 0.00 57.07 56.03 1iye s TYR 179 Cb 0.00 -2.22 -0.10 0.00 -0.11 0.00 0.00 41.96 39.52 1iye s TYR 179 CO 0.00 -0.26 0.85 1.04 -1.11 0.00 0.00 175.55 176.07 1iye n GLN 180 N -1.81 0.62 -3.53 -0.62 3.00 -0.69 -3.53 117.38 110.82 1iye n GLN 180 Ca 0.04 0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 57.00 1iye n GLN 180 Cb 0.58 -1.78 -0.05 0.00 0.00 0.00 0.00 30.24 29.00 1iye n GLN 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1iye s GLU 181 N -3.15 1.07 -0.00 -1.09 2.56 -1.23 -4.85 118.70 112.00 1iye s GLU 181 Ca -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.97 54.87 1iye s GLU 181 Cb 0.09 0.50 -0.03 0.00 2.00 0.00 0.00 34.13 36.69 1iye s GLU 181 CO 0.81 -0.38 -0.03 0.20 -0.56 0.00 0.00 175.26 175.30 1iye s GLY 182 N -1.80 1.81 -0.15 -1.50 0.00 -1.26 -1.49 107.32 102.93 1iye s GLY 182 Ca -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.66 1iye s GLY 182 CO 0.01 -0.84 -0.09 -0.42 0.00 0.00 0.00 173.10 171.77 1iye s ILE 183 N -1.03 3.43 0.06 0.90 1.01 0.10 -1.78 121.20 123.90 1iye s ILE 183 Ca 0.18 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1iye s ILE 183 Cb -0.11 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1iye s ILE 183 CO 0.08 0.51 0.04 0.00 0.00 0.00 0.00 174.94 175.57 1iye s ALA 184 N 0.41 3.43 0.14 9.38 0.00 0.08 -0.34 121.76 134.87 1iye s ALA 184 Ca -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1iye s ALA 184 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1iye s ALA 184 CO 0.04 0.71 0.27 -0.51 0.00 0.00 0.00 175.76 176.28 1iye s LEU 185 N -2.18 4.33 0.00 0.00 1.43 -1.26 -0.71 118.68 120.28 1iye s LEU 185 Ca 0.26 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1iye s LEU 185 Cb -0.12 -2.90 0.17 0.00 0.03 0.00 0.00 46.19 43.37 1iye s LEU 185 CO 0.18 0.06 1.05 -0.90 0.23 0.00 0.00 176.35 176.98 1iye n ASP 186 N -0.46 0.33 0.03 2.29 5.75 0.48 -1.34 116.55 123.62 1iye n ASP 186 Ca -0.07 -1.53 0.05 0.00 -0.01 0.00 0.00 54.79 53.23 1iye n ASP 186 Cb 0.54 -0.78 0.23 0.00 -1.03 0.00 0.00 41.12 40.07 1iye n ASP 186 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1iye n VAL 187 N -3.33 1.40 0.80 2.12 0.24 -1.26 -1.56 118.33 116.74 1iye n VAL 187 Ca 0.14 0.40 0.11 0.00 -2.04 0.00 0.00 64.34 62.95 1iye n VAL 187 Cb 0.49 -1.30 0.11 0.00 -1.47 0.00 0.00 33.84 31.67 1iye n VAL 187 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1iye n ASN 188 N -1.65 0.63 0.00 -1.34 3.02 -1.26 -4.96 115.26 109.70 1iye n ASN 188 Ca 0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1iye n ASN 188 Cb 0.09 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1iye n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iye n GLY 189 N 1.44 0.86 3.79 7.41 0.00 -0.60 -5.09 105.19 112.99 1iye n GLY 189 Ca 0.04 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1iye n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iye s TYR 190 N -2.00 2.97 0.22 1.61 1.51 -1.26 -4.26 117.35 116.14 1iye s TYR 190 Ca 0.00 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.56 1iye s TYR 190 Cb 0.00 -1.47 -0.11 0.00 -0.11 0.00 0.00 41.96 40.27 1iye s TYR 190 CO 0.00 0.45 1.62 0.42 -1.11 0.00 0.00 175.55 176.93 1iye s ILE 191 N -2.22 2.26 0.00 2.71 1.01 -0.59 -0.39 121.20 123.98 1iye s ILE 191 Ca 0.35 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1iye s ILE 191 Cb -0.07 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1iye s ILE 191 CO 0.24 0.02 0.00 -0.24 0.00 0.00 0.00 174.94 174.96 1iye n SER 192 N 3.37 0.00 -3.36 3.58 2.88 0.11 -4.67 113.62 115.54 1iye n SER 192 Ca 0.13 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 1iye n SER 192 Cb 0.37 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.83 1iye n SER 192 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1iye s GLU 193 N -0.05 1.46 0.65 -1.46 -1.05 -1.17 -4.62 118.70 112.46 1iye s GLU 193 Ca 0.00 -0.92 -0.07 0.00 -0.15 0.00 0.00 54.97 53.84 1iye s GLU 193 Cb 0.00 0.42 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 1iye s GLU 193 CO 0.00 -0.68 0.97 0.20 0.95 0.00 0.00 175.26 176.70 1iye s GLY 194 N -3.27 1.65 0.48 -3.83 0.00 0.21 -0.74 107.32 101.81 1iye s GLY 194 Ca 0.19 -0.78 0.22 0.00 0.00 0.00 0.00 44.72 44.35 1iye s GLY 194 CO 0.06 -0.43 1.92 0.00 0.00 0.00 0.00 173.10 174.65 1iye h ALA 195 N -0.41 2.39 0.00 3.20 0.00 -1.67 -3.13 119.26 119.64 1iye h ALA 195 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1iye h ALA 195 Cb 1.28 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 1iye h ALA 195 CO 0.61 -0.61 -0.79 0.41 0.00 0.00 0.00 179.25 178.87 1iye n GLY 196 N -1.59 0.77 3.50 0.00 0.00 -1.26 -4.72 105.19 101.89 1iye n GLY 196 Ca 0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1iye n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iye s GLU 197 N -0.00 1.27 0.47 1.61 1.03 -1.18 -4.83 118.70 117.06 1iye s GLU 197 Ca 0.18 -0.52 -0.08 0.00 0.03 0.00 0.00 54.97 54.59 1iye s GLU 197 Cb 0.21 0.55 -0.05 0.00 -0.80 0.00 0.00 34.13 34.05 1iye s GLU 197 CO -0.09 -0.56 0.81 -0.80 -1.33 0.00 0.00 175.26 173.29 1iye s ASN 198 N -2.73 6.35 -0.12 0.83 0.01 -0.14 0.64 114.94 119.77 1iye s ASN 198 Ca 0.03 1.05 -0.01 0.00 -0.71 0.00 0.00 52.86 53.22 1iye s ASN 198 Cb -0.02 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 1iye s ASN 198 CO -0.09 -0.55 -0.07 -0.22 -1.51 0.00 0.00 177.10 174.66 1iye s LEU 199 N -4.49 3.08 0.10 0.60 1.98 -1.26 -1.49 118.68 117.20 1iye s LEU 199 Ca 0.50 -0.15 0.08 0.00 -2.89 0.00 0.00 54.13 51.67 1iye s LEU 199 Cb -0.10 -1.71 -0.04 0.00 0.66 0.00 0.00 46.19 45.00 1iye s LEU 199 CO 0.41 0.23 -0.22 -0.36 -1.89 0.00 0.00 176.35 174.53 1iye s PHE 200 N 0.00 1.84 0.09 5.38 0.40 -0.21 -4.31 117.98 121.18 1iye s PHE 200 Ca -0.01 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1iye s PHE 200 Cb -0.14 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1iye s PHE 200 CO 0.03 0.22 -0.13 -1.21 0.70 0.00 0.00 175.22 174.83 1iye s GLU 201 N -1.91 0.89 -0.06 0.44 2.02 -0.11 -1.86 118.70 118.10 1iye s GLU 201 Ca 0.07 -1.08 0.03 0.00 0.02 0.00 0.00 54.97 54.01 1iye s GLU 201 Cb -0.10 -0.80 0.01 0.00 0.10 0.00 0.00 34.13 33.34 1iye s GLU 201 CO 0.04 0.16 -0.15 0.08 0.02 0.00 0.00 175.26 175.42 1iye s VAL 202 N -1.75 1.30 -0.21 2.63 1.01 -0.06 -0.50 120.40 122.81 1iye s VAL 202 Ca 0.03 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1iye s VAL 202 Cb -0.07 -1.16 0.10 0.00 0.00 0.00 0.00 36.38 35.25 1iye s VAL 202 CO 0.02 0.39 0.42 -0.75 0.00 0.00 0.00 175.10 175.18 1iye s LYS 203 N 0.48 0.33 -1.44 2.72 2.47 -0.31 0.20 119.74 124.20 1iye s LYS 203 Ca -0.13 0.93 -0.07 0.00 -1.56 0.00 0.00 55.97 55.15 1iye s LYS 203 Cb -0.15 0.17 0.01 0.00 -1.46 0.00 0.00 37.83 36.40 1iye s LYS 203 CO 0.04 -0.34 0.90 -0.25 0.16 0.00 0.00 175.35 175.86 1iye n ASP 204 N 5.39 -6.22 0.00 1.43 8.00 -1.26 -2.04 116.55 121.84 1iye n ASP 204 Ca -0.07 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1iye n ASP 204 Cb 0.50 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 1iye n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iye n GLY 205 N -1.77 0.93 3.67 0.44 0.00 -1.26 -5.02 105.19 102.19 1iye n GLY 205 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1iye n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iye s VAL 206 N -3.75 4.32 -0.16 1.61 1.01 -0.87 -4.38 120.40 118.19 1iye s VAL 206 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1iye s VAL 206 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1iye s VAL 206 CO 0.00 0.60 0.26 -0.22 0.00 0.00 0.00 175.10 175.74 1iye s LEU 207 N -0.78 4.24 0.08 3.92 2.96 -0.18 -1.16 118.68 127.76 1iye s LEU 207 Ca 0.12 0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.58 1iye s LEU 207 Cb -0.11 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1iye s LEU 207 CO 0.02 0.12 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.59 1iye s PHE 208 N 0.40 1.98 -0.26 5.38 0.40 0.34 -0.38 117.98 125.84 1iye s PHE 208 Ca 0.15 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.86 1iye s PHE 208 Cb -0.13 -1.13 0.07 0.00 0.51 0.00 0.00 43.02 42.34 1iye s PHE 208 CO 0.03 0.18 0.67 -0.08 0.70 0.00 0.00 175.22 176.72 1iye s THR 209 N -0.96 -0.00 0.62 0.64 -1.32 -1.00 -0.93 115.64 112.68 1iye s THR 209 Ca 0.09 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.38 1iye s THR 209 Cb -0.10 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1iye s THR 209 CO 0.03 0.00 1.31 -2.84 -2.21 0.00 0.00 174.62 170.92 1iye s PRO 210 N 0.56 2.71 0.84 7.08 0.02 -1.23 -1.82 135.00 143.16 1iye s PRO 210 Ca -0.02 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 62.99 1iye s PRO 210 Cb -0.05 -1.95 0.11 0.00 0.02 0.00 0.00 34.50 32.64 1iye s PRO 210 CO -0.02 -1.49 1.20 -1.25 -0.33 0.00 0.00 177.00 175.11 1iye s PRO 211 N -3.26 1.59 0.54 5.54 0.04 -1.26 -4.77 135.00 133.42 1iye s PRO 211 Ca 0.80 -0.10 0.27 0.00 0.04 0.00 0.00 61.00 62.00 1iye s PRO 211 Cb -0.38 -1.95 1.53 0.00 0.04 0.00 0.00 34.50 33.74 1iye s PRO 211 CO 0.42 -1.80 2.13 0.74 0.04 0.00 0.00 177.00 178.52 1iye h PHE 212 N -1.18 0.00 0.00 0.56 0.04 -1.94 -1.94 116.94 112.48 1iye h PHE 212 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1iye h PHE 212 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1iye h PHE 212 CO -0.13 0.08 0.00 0.25 -0.60 0.00 0.00 178.31 177.91 1iye n THR 213 N -3.78 0.16 -0.95 -1.55 -2.24 -1.26 -1.63 114.28 103.02 1iye n THR 213 Ca -0.02 0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1iye n THR 213 Cb 0.19 -0.73 0.25 0.00 -2.10 0.00 0.00 70.33 67.94 1iye n THR 213 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1iye n SER 214 N -1.10 4.40 -3.20 3.42 7.64 -0.73 -4.88 113.62 119.17 1iye n SER 214 Ca 0.13 -3.24 -0.23 0.00 1.01 0.00 0.00 58.87 56.54 1iye n SER 214 Cb 0.10 -0.76 0.05 0.00 -1.01 0.00 0.00 64.21 62.59 1iye n SER 214 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iye n SER 215 N -0.38 -6.16 -4.61 6.43 2.88 -0.65 -4.36 113.62 106.77 1iye n SER 215 Ca 0.44 -0.39 -0.34 0.00 -1.33 0.00 0.00 58.87 57.24 1iye n SER 215 Cb 1.41 -4.88 -0.11 0.00 -0.75 0.00 0.00 64.21 59.88 1iye n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iye s ALA 216 N -3.23 3.13 0.34 -1.46 0.00 -1.12 -4.74 121.76 114.68 1iye s ALA 216 Ca 0.42 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 1iye s ALA 216 Cb -0.19 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 1iye s ALA 216 CO 0.52 0.49 1.29 -1.17 0.00 0.00 0.00 175.76 176.89 1iye s LEU 217 N -0.57 4.39 -1.16 0.00 2.96 -1.26 -4.46 118.68 118.59 1iye s LEU 217 Ca 0.09 2.64 -0.19 0.00 -0.22 0.00 0.00 54.13 56.45 1iye s LEU 217 Cb -0.12 -3.70 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 1iye s LEU 217 CO 0.02 -0.56 1.97 -0.81 -1.32 0.00 0.00 176.35 175.64 1iye n PRO 218 N 0.68 2.25 -1.63 0.98 -0.04 -1.26 -4.93 135.00 131.05 1iye n PRO 218 Ca 0.01 -2.50 -0.45 0.00 -0.04 0.00 0.00 63.50 60.52 1iye n PRO 218 Cb 0.42 -3.32 -0.02 0.00 -0.04 0.00 0.00 33.50 30.54 1iye n PRO 218 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iye n GLY 219 N 4.88 0.23 0.11 0.55 0.00 -1.26 -4.90 105.19 104.81 1iye n GLY 219 Ca 0.49 0.39 -0.02 0.00 0.00 0.00 0.00 46.02 46.88 1iye n GLY 219 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iye h ILE 220 N 2.47 1.30 -0.09 -0.61 2.04 -1.98 -1.48 117.51 119.15 1iye h ILE 220 Ca -0.43 -2.69 -0.17 0.00 1.00 0.00 0.00 64.86 62.57 1iye h ILE 220 Cb 1.31 2.54 0.01 0.00 -0.74 0.00 0.00 36.82 39.95 1iye h ILE 220 CO 0.66 0.71 -0.62 0.74 0.00 0.00 0.00 178.15 179.64 1iye h THR 221 N 0.00 1.35 -0.40 -0.27 2.02 -1.91 -2.05 112.91 111.64 1iye h THR 221 Ca -0.01 -1.93 0.08 0.00 0.77 0.00 0.00 66.41 65.32 1iye h THR 221 Cb 1.49 2.22 -0.07 0.00 -1.74 0.00 0.00 68.15 70.05 1iye h THR 221 CO 0.09 0.58 -0.03 -0.09 0.37 0.00 0.00 175.52 176.45 1iye h ARG 222 N 0.20 0.07 -0.73 6.66 2.43 -1.87 0.57 114.38 121.71 1iye h ARG 222 Ca -0.05 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1iye h ARG 222 Cb 1.27 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1iye h ARG 222 CO 0.13 0.05 0.40 0.22 -1.51 0.00 0.00 179.97 179.25 1iye h ASP 223 N 0.07 0.92 -0.12 -3.80 3.58 -1.21 -1.73 116.42 114.13 1iye h ASP 223 Ca 0.20 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 1iye h ASP 223 Cb 0.29 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1iye h ASP 223 CO -0.36 0.75 -0.22 0.00 -2.88 0.00 0.00 179.24 176.54 1iye h ALA 224 N 1.20 1.08 -0.49 -0.78 0.00 -0.58 -1.99 119.26 117.70 1iye h ALA 224 Ca 0.26 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1iye h ALA 224 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1iye h ALA 224 CO -0.04 0.56 -0.15 0.82 0.00 0.00 0.00 179.25 180.44 1iye h ILE 225 N 0.48 1.27 -0.53 0.00 2.04 -0.52 0.15 117.51 120.40 1iye h ILE 225 Ca 0.07 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1iye h ILE 225 Cb 0.65 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1iye h ILE 225 CO 0.05 0.45 0.19 0.40 0.00 0.00 0.00 178.15 179.24 1iye h ILE 226 N 0.83 1.23 -0.39 -0.67 2.04 -1.15 0.24 117.51 119.63 1iye h ILE 226 Ca 0.12 -0.74 -0.13 0.00 1.00 0.00 0.00 64.86 65.11 1iye h ILE 226 Cb 0.72 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1iye h ILE 226 CO 0.05 0.28 -0.28 0.11 0.00 0.00 0.00 178.15 178.31 1iye h LYS 227 N 0.73 0.84 -0.38 2.37 1.57 -1.16 -2.23 116.57 118.31 1iye h LYS 227 Ca 0.17 -0.38 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1iye h LYS 227 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1iye h LYS 227 CO -0.01 1.02 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.72 1iye h LEU 228 N 0.72 0.74 -0.88 2.94 3.38 -0.47 -2.76 115.31 118.97 1iye h LEU 228 Ca 0.08 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1iye h LEU 228 Cb 0.83 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1iye h LEU 228 CO 0.07 0.94 0.56 0.00 0.09 0.00 0.00 178.44 180.09 1iye h ALA 229 N 0.83 1.19 -0.22 1.53 0.00 -0.41 -0.95 119.26 121.22 1iye h ALA 229 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1iye h ALA 229 Cb 0.61 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iye h ALA 229 CO 0.04 0.35 -0.21 0.87 0.00 0.00 0.00 179.25 180.30 1iye h LYS 230 N 1.04 0.40 -0.60 0.00 1.57 -1.31 0.15 116.57 117.82 1iye h LYS 230 Ca 0.37 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1iye h LYS 230 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1iye h LYS 230 CO -0.15 0.59 0.01 0.93 -0.57 0.00 0.00 179.45 180.26 1iye h GLU 231 N 0.36 1.04 0.00 3.15 4.39 -0.94 -1.98 114.58 120.60 1iye h GLU 231 Ca 0.06 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1iye h GLU 231 Cb 0.57 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1iye h GLU 231 CO 0.04 1.01 0.00 1.28 -1.16 0.00 0.00 179.01 180.18 1iye n LEU 232 N -4.18 0.00 -0.09 1.33 4.77 -0.48 -4.84 117.00 113.51 1iye n LEU 232 Ca 0.03 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1iye n LEU 232 Cb 0.34 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1iye n LEU 232 CO 0.44 -0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.09 1iye n GLY 233 N 0.34 0.50 3.72 -0.72 0.00 -0.74 -5.02 105.19 103.27 1iye n GLY 233 Ca 0.16 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1iye n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iye s ILE 234 N -2.02 5.14 0.17 -0.61 1.01 0.45 -5.00 121.20 120.34 1iye s ILE 234 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 1iye s ILE 234 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1iye s ILE 234 CO 0.00 0.29 1.17 -0.70 0.00 0.00 0.00 174.94 175.70 1iye s GLU 235 N 0.76 4.51 -0.05 2.79 2.12 -1.26 -3.95 118.70 123.63 1iye s GLU 235 Ca 0.29 1.82 0.07 0.00 0.36 0.00 0.00 54.97 57.50 1iye s GLU 235 Cb -0.16 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 1iye s GLU 235 CO 0.12 -0.06 -0.25 0.08 -0.54 0.00 0.00 175.26 174.62 1iye s VAL 236 N 0.03 2.13 -0.21 3.70 1.01 -1.26 -1.01 120.40 124.80 1iye s VAL 236 Ca 0.53 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1iye s VAL 236 Cb -0.31 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1iye s VAL 236 CO 0.35 0.57 -0.02 -0.13 0.00 0.00 0.00 175.10 175.88 1iye s ARG 237 N -0.35 1.19 -0.49 2.72 0.52 0.49 -4.97 118.95 118.06 1iye s ARG 237 Ca 0.02 -0.67 -0.22 0.00 -0.52 0.00 0.00 55.73 54.33 1iye s ARG 237 Cb -0.12 -2.28 0.04 0.00 0.52 0.00 0.00 34.95 33.10 1iye s ARG 237 CO 0.02 -0.58 0.79 -1.21 0.02 0.00 0.00 175.30 174.33 1iye s GLU 238 N 1.62 3.31 0.18 3.54 2.02 -1.26 -2.38 118.70 125.74 1iye s GLU 238 Ca -0.03 -0.33 -0.18 0.00 0.02 0.00 0.00 54.97 54.46 1iye s GLU 238 Cb -0.17 -4.00 0.03 0.00 0.10 0.00 0.00 34.13 30.08 1iye s GLU 238 CO -0.07 -1.24 0.50 1.14 0.02 0.00 0.00 175.26 175.62 1iye s GLN 239 N 3.31 1.30 0.30 1.61 -2.07 -0.76 -4.77 119.66 118.59 1iye s GLN 239 Ca 0.26 -0.80 -0.29 0.00 -1.82 0.00 0.00 55.36 52.71 1iye s GLN 239 Cb -0.14 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 1iye s GLN 239 CO 0.19 -0.55 1.38 0.08 -1.32 0.00 0.00 175.29 175.08 1iye s VAL 240 N -3.85 2.63 0.01 3.63 1.01 -1.26 -3.58 120.40 118.99 1iye s VAL 240 Ca 0.07 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.71 1iye s VAL 240 Cb -0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1iye s VAL 240 CO -0.06 0.12 -0.23 -0.76 0.00 0.00 0.00 175.10 174.18 1iye s LEU 241 N -1.22 2.10 0.62 3.92 1.43 -1.26 -5.02 118.68 119.24 1iye s LEU 241 Ca 0.54 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1iye s LEU 241 Cb -0.41 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1iye s LEU 241 CO 0.50 0.24 1.03 -0.94 0.23 0.00 0.00 176.35 177.42 1iye s SER 242 N -0.82 6.04 0.15 2.29 1.04 -1.26 -1.54 113.70 119.60 1iye s SER 242 Ca 0.09 1.52 -0.16 0.00 0.48 0.00 0.00 55.95 57.88 1iye s SER 242 Cb -0.09 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 63.55 1iye s SER 242 CO 0.00 -0.99 1.77 -0.09 0.98 0.00 0.00 173.24 174.91 1iye h ARG 243 N -0.18 0.55 0.00 4.02 1.12 -1.92 -2.57 114.38 115.40 1iye h ARG 243 Ca -0.45 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1iye h ARG 243 Cb 1.20 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1iye h ARG 243 CO 0.60 0.42 0.00 1.05 -3.11 0.00 0.00 179.97 178.93 1iye h GLU 244 N 0.52 0.00 0.00 0.20 9.09 -1.94 -2.62 114.58 119.83 1iye h GLU 244 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1iye h GLU 244 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1iye h GLU 244 CO -0.03 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.69 1iye h SER 245 N 0.00 0.00 0.21 3.06 4.64 -1.84 0.42 113.55 120.05 1iye h SER 245 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1iye h SER 245 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1iye h SER 245 CO 0.00 0.00 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.51 1iye h LEU 246 N 0.00 0.25 0.00 5.97 3.38 -1.62 -1.73 115.31 121.56 1iye h LEU 246 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1iye h LEU 246 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1iye h LEU 246 CO 0.00 0.62 -0.30 1.88 0.09 0.00 0.00 178.44 180.73 1iye h TYR 247 N 0.20 0.00 -0.01 1.13 0.99 -1.13 -3.32 116.97 114.83 1iye h TYR 247 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1iye h TYR 247 Cb 0.78 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.51 1iye h TYR 247 CO 0.01 0.00 -0.37 1.28 -0.00 0.00 0.00 178.16 179.08 1iye n LEU 248 N -2.35 1.25 -4.77 3.88 4.77 -1.10 -5.00 117.00 113.68 1iye n LEU 248 Ca 0.04 -0.70 -0.36 0.00 -0.03 0.00 0.00 56.01 54.97 1iye n LEU 248 Cb 0.46 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1iye n LEU 248 CO 0.34 0.25 0.80 0.00 -1.33 0.00 0.00 177.39 177.45 1iye s ALA 249 N -1.84 2.83 0.22 -1.18 0.00 -0.67 -4.94 121.76 116.19 1iye s ALA 249 Ca 0.10 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1iye s ALA 249 Cb 0.11 -3.37 0.17 0.00 0.00 0.00 0.00 23.12 20.03 1iye s ALA 249 CO 0.40 -0.70 1.51 -0.44 0.00 0.00 0.00 175.76 176.52 1iye h ASP 250 N 1.61 0.27 -5.12 0.00 3.32 -0.60 -3.39 116.42 112.52 1iye h ASP 250 Ca -0.50 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.29 1iye h ASP 250 Cb 1.25 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1iye h ASP 250 CO 0.58 0.87 -0.35 -1.61 -1.72 0.00 0.00 179.24 177.01 1iye s GLU 251 N -3.61 0.81 -0.12 3.56 2.02 -0.89 -3.64 118.70 116.83 1iye s GLU 251 Ca -0.04 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 1iye s GLU 251 Cb 0.11 0.33 0.04 0.00 0.10 0.00 0.00 34.13 34.72 1iye s GLU 251 CO 0.81 -0.26 0.30 0.08 0.02 0.00 0.00 175.26 176.21 1iye s VAL 252 N -3.39 -0.02 0.10 2.63 1.01 -1.26 -0.88 120.40 118.58 1iye s VAL 252 Ca 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1iye s VAL 252 Cb 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1iye s VAL 252 CO -0.08 0.03 0.21 0.72 0.00 0.00 0.00 175.10 175.98 1iye s PHE 253 N 0.89 0.17 0.10 5.22 -0.71 -0.78 0.02 117.98 122.90 1iye s PHE 253 Ca -0.06 -0.59 0.07 0.00 -1.04 0.00 0.00 56.93 55.31 1iye s PHE 253 Cb -0.07 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 1iye s PHE 253 CO -0.06 -0.58 -0.10 -1.64 -1.34 0.00 0.00 175.22 171.50 1iye s MET 254 N -3.87 2.12 0.07 1.99 -1.94 0.78 -1.05 119.30 117.40 1iye s MET 254 Ca 0.07 -1.02 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 1iye s MET 254 Cb 0.05 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 1iye s MET 254 CO -0.09 0.51 -0.14 -1.54 -0.01 0.00 0.00 175.02 173.74 1iye s SER 255 N -2.19 1.70 0.00 3.03 1.04 -0.56 -0.54 113.70 116.18 1iye s SER 255 Ca 0.21 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1iye s SER 255 Cb -0.11 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1iye s SER 255 CO 0.13 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1iye n GLY 256 N 1.38 1.00 0.25 7.32 0.00 -0.39 -0.96 105.19 113.79 1iye n GLY 256 Ca -0.21 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 1iye n GLY 256 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1iye h THR 257 N 0.17 1.22 0.01 2.61 2.02 -1.89 0.89 112.91 117.94 1iye h THR 257 Ca 0.00 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 1iye h THR 257 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1iye h THR 257 CO 0.00 0.27 -0.15 0.00 0.37 0.00 0.00 175.52 176.01 1iye h ALA 258 N 1.07 0.00 -0.00 6.16 0.00 -1.92 -3.33 119.26 121.24 1iye h ALA 258 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1iye h ALA 258 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1iye h ALA 258 CO -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 1iye n ALA 259 N -2.56 2.67 -0.40 0.00 0.00 -1.22 -3.10 120.51 115.90 1iye n ALA 259 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1iye n ALA 259 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1iye n ALA 259 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iye n GLU 260 N -0.90 0.00 -3.90 0.00 1.02 0.31 -3.39 120.64 113.77 1iye n GLU 260 Ca 0.17 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 1iye n GLU 260 Cb 0.23 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.50 1iye n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1iye s ILE 261 N 0.00 1.67 -0.31 -3.67 1.01 -1.26 -1.26 121.20 117.39 1iye s ILE 261 Ca 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 60.65 58.69 1iye s ILE 261 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1iye s ILE 261 CO 0.00 -0.59 0.09 -0.89 0.00 0.00 0.00 174.94 173.55 1iye s THR 262 N 1.22 3.95 0.60 2.92 2.01 0.30 -4.70 115.64 121.94 1iye s THR 262 Ca 0.09 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 1iye s THR 262 Cb -0.18 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1iye s THR 262 CO -0.15 0.02 1.21 -2.84 -0.69 0.00 0.00 174.62 172.18 1iye s PRO 263 N 1.48 2.94 -0.32 4.92 0.02 -1.26 -0.15 135.00 142.63 1iye s PRO 263 Ca 0.02 1.84 -0.02 0.00 0.02 0.00 0.00 61.00 62.86 1iye s PRO 263 Cb -0.18 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.48 1iye s PRO 263 CO 0.03 -1.23 0.04 0.08 -0.33 0.00 0.00 177.00 175.58 1iye s VAL 264 N -1.59 3.01 0.08 3.83 1.01 0.10 -0.88 120.40 125.96 1iye s VAL 264 Ca 0.78 -1.54 0.16 0.00 0.00 0.00 0.00 61.98 61.37 1iye s VAL 264 Cb -0.31 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1iye s VAL 264 CO 0.33 -0.23 1.59 0.08 0.00 0.00 0.00 175.10 176.87 1iye h ARG 265 N 7.99 0.00 -3.00 2.72 0.11 -1.35 -3.39 114.38 117.46 1iye h ARG 265 Ca -0.19 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.81 1iye h ARG 265 Cb 1.06 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 31.96 1iye h ARG 265 CO 0.56 0.51 -0.13 -1.54 0.10 0.00 0.00 179.97 179.46 1iye s SER 266 N -6.51 -0.27 -0.09 0.08 1.04 -1.21 0.32 113.70 107.07 1iye s SER 266 Ca 0.01 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1iye s SER 266 Cb 0.10 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1iye s SER 266 CO 0.73 -0.62 -0.08 -0.69 0.98 0.00 0.00 173.24 173.56 1iye s VAL 267 N -2.21 0.94 -1.34 5.02 1.01 -0.36 -0.59 120.40 122.88 1iye s VAL 267 Ca -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1iye s VAL 267 Cb -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1iye s VAL 267 CO -0.01 0.34 0.26 0.47 0.00 0.00 0.00 175.10 176.16 1iye n ASP 268 N 4.51 -4.68 0.00 3.32 8.00 0.05 -0.38 116.55 127.37 1iye n ASP 268 Ca -0.17 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1iye n ASP 268 Cb 0.51 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1iye n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iye n GLY 269 N -1.09 0.97 3.57 0.44 0.00 -1.26 -5.01 105.19 102.81 1iye n GLY 269 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1iye n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iye s ILE 270 N -3.65 5.20 0.25 -0.61 1.01 0.49 -5.04 121.20 118.84 1iye s ILE 270 Ca 0.00 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 1iye s ILE 270 Cb 0.00 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.63 1iye s ILE 270 CO 0.00 0.05 1.60 -1.58 0.00 0.00 0.00 174.94 175.00 1iye s GLN 271 N 1.98 4.16 -0.21 2.79 0.74 -1.26 -1.22 119.66 126.63 1iye s GLN 271 Ca 0.12 2.51 -0.14 0.00 0.05 0.00 0.00 55.36 57.89 1iye s GLN 271 Cb -0.16 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 1iye s GLN 271 CO 0.11 -0.62 0.34 0.08 -0.55 0.00 0.00 175.29 174.64 1iye s VAL 272 N 0.45 5.24 0.00 1.34 1.01 0.15 -4.92 120.40 123.66 1iye s VAL 272 Ca 0.66 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1iye s VAL 272 Cb -0.47 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1iye s VAL 272 CO 0.41 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1iye n GLY 273 N 4.05 3.04 0.02 4.51 0.00 -1.24 -0.98 105.19 114.59 1iye n GLY 273 Ca -0.10 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1iye n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iye n GLU 274 N 14.00 0.30 -0.23 1.61 -0.58 -1.26 -4.87 120.64 129.60 1iye n GLU 274 Ca 0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1iye n GLU 274 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1iye n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iye n GLY 275 N 1.37 0.87 2.88 0.62 0.00 -0.16 -5.07 105.19 105.70 1iye n GLY 275 Ca 0.11 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1iye n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iye n ARG 276 N -2.23 0.45 -1.75 1.61 5.12 -1.26 -4.80 116.66 113.80 1iye n ARG 276 Ca 0.00 -2.98 -0.42 0.00 -1.93 0.00 0.00 57.85 52.52 1iye n ARG 276 Cb 0.00 2.13 -0.03 0.00 -1.16 0.00 0.00 32.46 33.40 1iye n ARG 276 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iye s GLY 278 N 4.80 1.61 0.24 0.00 0.00 -1.26 -4.80 107.32 107.91 1iye s GLY 278 Ca 0.86 -0.00 -0.05 0.00 0.00 0.00 0.00 44.72 45.53 1iye s GLY 278 CO 0.38 0.52 1.81 -0.56 0.00 0.00 0.00 173.10 175.25 1iye h PRO 279 N -1.80 1.05 -0.24 2.90 0.13 -1.96 -1.15 132.00 130.92 1iye h PRO 279 Ca -0.51 -0.19 -0.12 0.00 -0.87 0.00 0.00 66.00 64.31 1iye h PRO 279 Cb 1.29 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1iye h PRO 279 CO 0.52 0.87 -0.32 0.28 -0.23 0.00 0.00 178.00 179.13 1iye h VAL 280 N 1.03 1.31 -0.64 1.56 2.07 -1.99 -0.41 116.25 119.18 1iye h VAL 280 Ca 0.23 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.28 1iye h VAL 280 Cb 0.23 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1iye h VAL 280 CO -0.02 0.47 0.39 0.74 0.02 0.00 0.00 177.57 179.18 1iye h THR 281 N 0.36 1.08 -0.16 2.57 2.02 -1.91 -1.71 112.91 115.15 1iye h THR 281 Ca 0.03 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1iye h THR 281 Cb 0.90 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1iye h THR 281 CO 0.07 0.14 -0.09 0.11 0.37 0.00 0.00 175.52 176.13 1iye h LYS 282 N 0.78 -0.07 -0.53 6.66 1.79 -0.96 0.67 116.57 124.91 1iye h LYS 282 Ca 0.26 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.81 1iye h LYS 282 Cb 0.02 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 1iye h LYS 282 CO -0.10 -0.05 0.19 0.00 -1.08 0.00 0.00 179.45 178.41 1iye h ARG 283 N -0.07 0.36 -0.60 3.15 3.08 -0.44 -1.27 114.38 118.59 1iye h ARG 283 Ca 0.09 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1iye h ARG 283 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1iye h ARG 283 CO -0.21 0.24 0.10 0.82 -1.07 0.00 0.00 179.97 179.85 1iye h ILE 284 N 0.37 1.26 -0.65 2.04 2.04 -0.92 -2.28 117.51 119.38 1iye h ILE 284 Ca 0.26 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 65.05 1iye h ILE 284 Cb 0.29 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1iye h ILE 284 CO -0.26 0.37 0.09 -0.61 0.00 0.00 0.00 178.15 177.74 1iye h GLN 285 N 0.90 1.08 -0.14 2.37 4.15 -0.41 -1.57 115.11 121.49 1iye h GLN 285 Ca 0.18 -0.30 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 1iye h GLN 285 Cb 0.42 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1iye h GLN 285 CO 0.01 1.00 -0.48 1.96 -1.93 0.00 0.00 178.83 179.40 1iye h GLN 286 N 1.00 0.36 -0.46 1.69 4.20 -1.18 -1.83 115.11 118.89 1iye h GLN 286 Ca 0.20 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1iye h GLN 286 Cb 0.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1iye h GLN 286 CO 0.01 0.76 -0.24 0.00 -0.67 0.00 0.00 178.83 178.70 1iye h ALA 287 N 1.21 0.70 0.52 3.87 0.00 -1.20 -0.17 119.26 124.19 1iye h ALA 287 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1iye h ALA 287 Cb 0.95 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1iye h ALA 287 CO 0.08 0.67 -0.25 0.35 0.00 0.00 0.00 179.25 180.10 1iye h PHE 288 N 0.83 -0.65 0.00 0.00 3.57 -1.13 -3.03 116.94 116.53 1iye h PHE 288 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1iye h PHE 288 Cb 0.81 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1iye h PHE 288 CO 0.05 -0.32 0.00 0.74 -2.23 0.00 0.00 178.31 176.55 1iye h PHE 289 N -0.98 0.00 0.00 0.41 0.04 -1.39 -1.90 116.94 113.13 1iye h PHE 289 Ca -0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1iye h PHE 289 Cb 0.62 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 1iye h PHE 289 CO 0.01 0.00 -0.08 0.78 -0.60 0.00 0.00 178.31 178.42 1iye h GLY 290 N 1.56 0.00 1.81 -1.45 0.00 -0.90 -2.49 103.07 101.61 1iye h GLY 290 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iye h GLY 290 CO 0.00 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.07 1iye h LEU 291 N 0.00 0.22 -1.23 3.11 3.38 -1.31 -0.03 115.31 119.45 1iye h LEU 291 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iye h LEU 291 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1iye h LEU 291 CO 0.01 0.17 0.00 0.49 0.09 0.00 0.00 178.44 179.20 1iye n PHE 292 N -4.50 0.19 -0.01 1.13 3.01 -0.94 -3.57 117.46 112.77 1iye n PHE 292 Ca -0.00 -0.09 0.02 0.00 1.01 0.00 0.00 57.45 58.38 1iye n PHE 292 Cb 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 1iye n PHE 292 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1iye n THR 293 N 0.45 0.10 -0.01 4.37 -2.24 -0.75 -2.81 114.28 113.39 1iye n THR 293 Ca 0.17 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1iye n THR 293 Cb 0.37 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1iye n THR 293 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iye n GLY 294 N 2.25 0.24 0.27 3.38 0.00 -0.10 -4.73 105.19 106.50 1iye n GLY 294 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1iye n GLY 294 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iye h GLU 295 N 3.98 0.14 -5.04 1.61 5.08 -1.72 -3.37 114.58 115.26 1iye h GLU 295 Ca 0.00 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1iye h GLU 295 Cb 0.00 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 28.99 1iye h GLU 295 CO 0.00 0.10 -0.64 0.99 -1.00 0.00 0.00 179.01 178.46 1iye s THR 296 N -5.17 4.14 0.11 1.13 2.01 -0.90 -4.98 115.64 111.99 1iye s THR 296 Ca -0.06 -0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.39 1iye s THR 296 Cb 0.17 -2.91 -0.08 0.00 0.01 0.00 0.00 72.50 69.70 1iye s THR 296 CO 0.69 0.39 1.41 -0.70 -0.69 0.00 0.00 174.62 175.71 1iye s GLU 297 N 1.28 4.31 -1.30 4.92 2.12 -1.26 -4.31 118.70 124.46 1iye s GLU 297 Ca 0.04 2.09 -0.18 0.00 0.36 0.00 0.00 54.97 57.28 1iye s GLU 297 Cb -0.15 -3.26 0.05 0.00 0.26 0.00 0.00 34.13 31.04 1iye s GLU 297 CO 0.02 -0.46 1.79 -3.47 -0.54 0.00 0.00 175.26 172.60 1iye n ASP 298 N 4.04 4.71 0.23 -1.70 2.03 -1.26 -4.73 116.55 119.87 1iye n ASP 298 Ca 0.12 -2.90 0.13 0.00 0.52 0.00 0.00 54.79 52.66 1iye n ASP 298 Cb 0.42 -1.74 0.40 0.00 -0.72 0.00 0.00 41.12 39.48 1iye n ASP 298 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1iye h LYS 299 N 7.64 0.00 0.00 -0.67 1.57 -2.03 -3.27 116.57 119.81 1iye h LYS 299 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1iye h LYS 299 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1iye h LYS 299 CO 1.47 0.09 -0.99 0.91 -0.57 0.00 0.00 179.45 180.36 1iye n TRP 300 N -3.17 0.01 -2.30 -1.35 8.01 -1.26 -4.99 117.44 112.39 1iye n TRP 300 Ca 0.02 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.19 1iye n TRP 300 Cb 0.45 -0.07 0.01 0.00 -2.01 0.00 0.00 31.31 29.69 1iye n TRP 300 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1iye n GLY 301 N 1.48 0.55 0.00 6.99 0.00 -1.24 -4.98 105.19 108.00 1iye n GLY 301 Ca 0.04 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1iye n GLY 301 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1iye n TRP 302 N -1.82 0.02 -3.45 1.61 8.01 -1.26 -4.80 117.44 115.75 1iye n TRP 302 Ca -0.01 0.01 -0.43 0.00 -1.31 0.00 0.00 57.50 55.75 1iye n TRP 302 Cb 0.51 -0.27 -0.08 0.00 -2.01 0.00 0.00 31.31 29.46 1iye n TRP 302 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1iye s LEU 303 N -3.04 5.59 -0.31 -0.99 1.43 -1.26 0.28 118.68 120.38 1iye s LEU 303 Ca 0.11 -1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 51.52 1iye s LEU 303 Cb 0.17 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1iye s LEU 303 CO 0.69 -0.66 0.55 -0.62 0.23 0.00 0.00 176.35 176.55 1iye s ASP 304 N 2.64 6.40 0.12 2.29 2.15 -0.46 -4.89 116.67 124.92 1iye s ASP 304 Ca 0.04 0.27 -0.31 0.00 0.43 0.00 0.00 52.55 52.98 1iye s ASP 304 Cb -0.25 -2.29 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1iye s ASP 304 CO 0.04 -0.43 1.34 -1.10 -0.17 0.00 0.00 175.17 174.86 1iye s GLN 305 N 2.44 4.35 0.14 4.34 -0.21 -1.26 -0.05 119.66 129.41 1iye s GLN 305 Ca 0.21 2.02 -0.05 0.00 0.02 0.00 0.00 55.36 57.56 1iye s GLN 305 Cb -0.15 -3.26 -0.06 0.00 1.00 0.00 0.00 33.01 30.54 1iye s GLN 305 CO 0.12 -0.37 1.34 0.28 -2.12 0.00 0.00 175.29 174.53 1iye h VAL 306 N 4.21 1.37 0.00 1.09 2.07 -1.51 -3.47 116.25 120.01 1iye h VAL 306 Ca -0.42 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1iye h VAL 306 Cb 1.21 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1iye h VAL 306 CO 0.84 0.69 0.00 0.59 0.02 0.00 0.00 177.57 179.71