#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iye s ALA 5 N 0.00 0.67 0.06 3.14 0.00 -1.26 -4.71 121.76 119.66 1iye s ALA 5 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 1iye s ALA 5 Cb 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 23.12 24.01 1iye s ALA 5 CO 0.00 -0.78 1.10 -0.44 0.00 0.00 0.00 175.76 175.64 1iye h ASP 6 N 2.19 0.78 -4.29 0.00 3.32 -1.91 -3.41 116.42 113.10 1iye h ASP 6 Ca -0.28 -0.76 -0.34 0.00 0.02 0.00 0.00 57.03 55.67 1iye h ASP 6 Cb 1.24 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 1iye h ASP 6 CO 0.39 1.57 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.44 1iye s TYR 7 N -2.87 1.14 -0.04 4.55 1.51 -1.26 -0.13 117.35 120.25 1iye s TYR 7 Ca -0.08 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 1iye s TYR 7 Cb 0.06 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1iye s TYR 7 CO 0.93 0.03 -0.07 0.42 -1.11 0.00 0.00 175.55 175.75 1iye s ILE 8 N -2.44 0.68 0.02 2.71 1.01 0.33 -4.63 121.20 118.87 1iye s ILE 8 Ca 0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1iye s ILE 8 Cb -0.03 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 1iye s ILE 8 CO 0.01 0.24 1.20 0.86 0.00 0.00 0.00 174.94 177.25 1iye s TRP 9 N 0.65 3.34 -0.17 3.97 -0.00 -0.86 -0.93 118.94 124.95 1iye s TRP 9 Ca -0.10 1.26 -0.04 0.00 -0.00 0.00 0.00 56.10 57.22 1iye s TRP 9 Cb -0.13 -3.42 0.06 0.00 -0.00 0.00 0.00 33.47 29.98 1iye s TRP 9 CO 0.01 -1.30 0.07 0.12 -0.00 0.00 0.00 176.95 175.85 1iye s PHE 10 N 1.50 0.44 -1.51 5.86 5.99 0.11 -1.52 117.98 128.84 1iye s PHE 10 Ca 0.58 -0.44 -0.03 0.00 0.00 0.00 0.00 56.93 57.05 1iye s PHE 10 Cb -0.28 -0.78 0.02 0.00 0.00 0.00 0.00 43.02 41.99 1iye s PHE 10 CO 0.27 -0.52 0.28 0.09 -0.00 0.00 0.00 175.22 175.34 1iye n ASN 11 N 5.21 -0.10 0.00 6.13 3.02 -0.63 -0.91 115.26 127.99 1iye n ASN 11 Ca -0.07 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1iye n ASN 11 Cb 0.49 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.30 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 -2.14 3.01 3.88 7.41 0.00 -1.26 -5.04 105.19 111.05 1iye n GLY 12 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1iye n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iye s GLU 13 N -0.26 3.70 -0.61 1.61 2.02 -0.09 -5.04 118.70 120.03 1iye s GLU 13 Ca 0.00 0.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.85 1iye s GLU 13 Cb 0.00 -2.91 0.07 0.00 0.10 0.00 0.00 34.13 31.40 1iye s GLU 13 CO 0.00 0.50 0.86 -1.64 0.02 0.00 0.00 175.26 175.01 1iye s MET 14 N -2.29 3.13 -0.07 1.61 -1.94 -1.26 0.08 119.30 118.56 1iye s MET 14 Ca 0.37 -0.87 -0.06 0.00 -1.71 0.00 0.00 55.69 53.42 1iye s MET 14 Cb -0.13 -4.20 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 1iye s MET 14 CO 0.21 -1.64 0.17 0.08 -0.01 0.00 0.00 175.02 173.83 1iye s VAL 15 N 3.57 5.46 0.46 -6.03 1.01 -0.11 -4.89 120.40 119.86 1iye s VAL 15 Ca 0.20 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 1iye s VAL 15 Cb -0.18 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 1iye s VAL 15 CO 0.11 0.50 1.43 -0.13 0.00 0.00 0.00 175.10 177.01 1iye s ARG 16 N -1.38 3.64 0.18 2.72 0.52 -1.26 -0.51 118.95 122.85 1iye s ARG 16 Ca 0.20 2.42 -0.24 0.00 -0.52 0.00 0.00 55.73 57.59 1iye s ARG 16 Cb -0.12 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 32.79 1iye s ARG 16 CO 0.10 -0.85 1.57 2.35 0.02 0.00 0.00 175.30 178.48 1iye h TRP 17 N 2.26 -1.25 0.00 -0.53 2.91 -0.76 0.04 115.95 118.63 1iye h TRP 17 Ca -0.51 0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.60 1iye h TRP 17 Cb 1.27 0.64 0.00 0.00 -0.51 0.00 0.00 29.16 30.56 1iye h TRP 17 CO 0.50 -0.41 0.00 0.39 -1.03 0.00 0.00 178.44 177.88 1iye n GLU 18 N -5.41 0.12 0.00 2.65 4.71 -1.26 -1.83 120.64 119.62 1iye n GLU 18 Ca 0.03 0.51 0.12 0.00 -0.01 0.00 0.00 57.16 57.81 1iye n GLU 18 Cb 0.35 -1.81 0.18 0.00 -1.01 0.00 0.00 31.44 29.15 1iye n GLU 18 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1iye n ASP 19 N -2.05 1.52 -4.56 1.62 8.00 -0.01 -4.71 116.55 116.35 1iye n ASP 19 Ca 0.00 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 1iye n ASP 19 Cb 0.10 0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.50 3.14 0.13 2.24 0.00 -0.76 -4.93 121.76 119.08 1iye s ALA 20 Ca 0.21 -2.69 0.06 0.00 0.00 0.00 0.00 51.96 49.53 1iye s ALA 20 Cb 0.19 -4.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.72 1iye s ALA 20 CO 0.55 -3.37 -0.13 0.15 0.00 0.00 0.00 175.76 172.96 1iye s LYS 21 N 4.28 1.04 0.11 0.00 1.02 -1.26 -5.08 119.74 119.85 1iye s LYS 21 Ca 0.49 -1.29 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1iye s LYS 21 Cb 0.02 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1iye s LYS 21 CO 0.00 0.16 -0.07 0.14 -0.92 0.00 0.00 175.35 174.65 1iye s VAL 22 N -2.39 0.79 0.57 3.17 -7.23 -1.26 -5.14 120.40 108.91 1iye s VAL 22 Ca 0.11 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1iye s VAL 22 Cb -0.03 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1iye s VAL 22 CO 0.03 -0.82 1.25 -2.28 -0.31 0.00 0.00 175.10 172.97 1iye s HIS 23 N -3.43 2.41 -0.69 2.82 2.46 -1.26 -4.88 115.29 112.72 1iye s HIS 23 Ca 0.12 1.48 0.19 0.00 0.47 0.00 0.00 55.06 57.32 1iye s HIS 23 Cb 0.04 -3.56 0.81 0.00 -0.13 0.00 0.00 32.58 29.74 1iye s HIS 23 CO -0.03 -2.34 1.59 1.55 -2.47 0.00 0.00 174.74 173.03 1iye n VAL 24 N -1.31 0.95 -0.20 0.89 3.14 -1.26 -1.48 118.33 119.05 1iye n VAL 24 Ca 0.12 0.27 0.07 0.00 -2.96 0.00 0.00 64.34 61.84 1iye n VAL 24 Cb 0.48 -1.14 0.29 0.00 -1.06 0.00 0.00 33.84 32.41 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 -1.93 3.28 -1.97 1.45 2.81 -1.26 -4.89 117.12 114.62 1iye n MET 25 Ca 0.02 -2.30 -0.42 0.00 -1.81 0.00 0.00 57.70 53.19 1iye n MET 25 Cb 0.19 -1.81 -0.03 0.00 -0.71 0.00 0.00 33.22 30.86 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 -0.79 6.62 0.25 7.83 0.01 -0.55 -4.57 113.70 122.50 1iye s SER 26 Ca 0.41 2.60 -0.07 0.00 1.31 0.00 0.00 55.95 60.21 1iye s SER 26 Cb 0.27 -2.60 0.45 0.00 0.21 0.00 0.00 66.02 64.35 1iye s SER 26 CO 0.19 -0.79 1.62 -0.74 0.41 0.00 0.00 173.24 173.93 1iye h HIS 27 N 6.45 -0.16 0.00 2.43 -0.00 -0.23 -1.59 115.15 122.04 1iye h HIS 27 Ca -0.43 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1iye h HIS 27 Cb 1.21 0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.81 1iye h HIS 27 CO 0.64 -0.29 -0.02 0.00 -0.00 0.00 0.00 177.93 178.25 1iye h ALA 28 N 1.77 1.15 0.00 5.26 0.00 -1.43 0.03 119.26 126.04 1iye h ALA 28 Ca 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1iye h ALA 28 Cb 0.75 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1iye h ALA 28 CO -0.74 0.03 -0.14 -0.07 0.00 0.00 0.00 179.25 178.33 1iye h LEU 29 N 0.00 0.00 0.00 0.00 3.38 -1.58 -2.89 115.31 114.22 1iye h LEU 29 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1iye h LEU 29 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1iye h LEU 29 CO 0.00 0.14 -1.91 1.41 0.09 0.00 0.00 178.44 178.17 1iye n HIS 30 N -3.18 0.00 -0.27 1.13 8.25 -0.55 -4.75 115.22 115.86 1iye n HIS 30 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1iye n HIS 30 Cb 0.50 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.36 0.00 -1.49 4.41 4.02 -0.11 -5.00 117.16 116.62 1iye n TYR 31 Ca -0.16 -0.36 -0.17 0.00 -0.01 0.00 0.00 57.90 57.20 1iye n TYR 31 Cb 0.77 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.98 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 -0.36 1.66 2.90 2.72 0.00 -1.09 -4.87 105.19 106.16 1iye n GLY 32 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.45 3.68 -3.70 2.61 -2.24 -1.26 -1.87 114.28 109.05 1iye n THR 33 Ca -0.17 -3.43 -0.10 0.00 -2.27 0.00 0.00 64.05 58.08 1iye n THR 33 Cb 0.59 -2.53 -0.06 0.00 -2.10 0.00 0.00 70.33 66.23 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 3.01 -0.14 0.03 3.42 1.04 -1.26 -2.03 113.70 117.77 1iye s SER 34 Ca 0.47 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1iye s SER 34 Cb 0.11 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1iye s SER 34 CO -0.05 -0.79 -0.14 0.68 0.98 0.00 0.00 173.24 173.93 1iye s VAL 35 N -3.64 1.07 0.29 5.02 -7.23 -0.03 -0.44 120.40 115.44 1iye s VAL 35 Ca 0.02 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1iye s VAL 35 Cb 0.02 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 1iye s VAL 35 CO -0.10 0.06 0.36 0.72 -0.31 0.00 0.00 175.10 175.83 1iye s PHE 36 N -0.72 1.08 0.09 2.82 -0.12 -0.75 -1.00 117.98 119.38 1iye s PHE 36 Ca 0.02 -1.27 -0.01 0.00 -0.05 0.00 0.00 56.93 55.62 1iye s PHE 36 Cb -0.07 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 1iye s PHE 36 CO 0.01 -0.95 0.02 -1.21 -0.05 0.00 0.00 175.22 173.04 1iye s GLU 37 N -3.56 0.78 -0.12 1.99 0.41 -0.84 -4.75 118.70 112.62 1iye s GLU 37 Ca 0.33 -1.33 0.02 0.00 -0.41 0.00 0.00 54.97 53.58 1iye s GLU 37 Cb 0.02 0.23 0.01 0.00 -1.78 0.00 0.00 34.13 32.61 1iye s GLU 37 CO 0.18 -0.19 -0.17 0.20 -0.49 0.00 0.00 175.26 174.79 1iye s GLY 38 N -2.99 1.12 0.01 -1.39 0.00 -1.26 -3.66 107.32 99.15 1iye s GLY 38 Ca 0.16 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1iye s GLY 38 CO -0.04 0.20 -0.06 -0.42 0.00 0.00 0.00 173.10 172.78 1iye s ILE 39 N 0.99 0.43 -0.02 0.90 1.01 -0.65 -4.90 121.20 118.96 1iye s ILE 39 Ca -0.06 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1iye s ILE 39 Cb -0.15 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1iye s ILE 39 CO -0.02 -0.05 -0.16 -0.13 0.00 0.00 0.00 174.94 174.58 1iye s ARG 40 N -0.57 2.36 -0.17 2.79 0.52 -1.26 0.10 118.95 122.72 1iye s ARG 40 Ca -0.02 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1iye s ARG 40 Cb -0.04 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1iye s ARG 40 CO -0.00 0.60 -0.05 0.00 0.02 0.00 0.00 175.30 175.86 1iye s TYR 42 N 0.76 2.82 -0.71 0.00 1.51 0.42 -0.77 117.35 121.38 1iye s TYR 42 Ca -0.02 -0.11 -0.21 0.00 -1.01 0.00 0.00 57.07 55.72 1iye s TYR 42 Cb -0.15 -1.48 0.09 0.00 -0.11 0.00 0.00 41.96 40.32 1iye s TYR 42 CO 0.02 0.44 0.95 0.34 -1.11 0.00 0.00 175.55 176.19 1iye s ASP 43 N -2.18 6.28 0.32 2.29 -1.08 -1.18 -0.83 116.67 120.30 1iye s ASP 43 Ca 0.22 -1.33 0.04 0.00 -0.52 0.00 0.00 52.55 50.96 1iye s ASP 43 Cb -0.11 -2.39 0.04 0.00 -1.46 0.00 0.00 42.92 39.00 1iye s ASP 43 CO 0.15 -1.29 0.31 -1.54 0.52 0.00 0.00 175.17 173.32 1iye n SER 44 N 7.15 1.71 0.19 -0.34 3.41 -0.75 -4.93 113.62 120.06 1iye n SER 44 Ca 0.01 -2.00 0.14 0.00 -0.26 0.00 0.00 58.87 56.76 1iye n SER 44 Cb 0.46 -0.10 0.62 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.40 0.00 -0.37 7.33 2.07 -1.78 0.09 115.15 122.88 1iye h HIS 45 Ca -0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.34 1iye h HIS 45 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 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 -2.50 2.34 0.00 5.12 5.02 -1.26 -5.07 118.16 121.81 1iye n LYS 46 Ca 0.01 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 1iye n LYS 46 Cb 0.19 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.06 -1.84 3.67 0.72 0.00 0.02 -4.89 105.19 103.93 1iye n GLY 47 Ca 0.16 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1iye n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iye n PRO 48 N -0.00 2.87 -4.33 1.61 -0.02 -1.26 -1.80 135.00 132.07 1iye n PRO 48 Ca 0.00 1.05 -0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1iye n PRO 48 Cb 0.00 -2.99 -0.14 0.00 -0.02 0.00 0.00 33.50 30.35 1iye n PRO 48 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1iye s VAL 49 N 4.02 0.83 -0.26 -1.45 -7.23 -0.01 -1.64 120.40 114.66 1iye s VAL 49 Ca 0.87 -0.68 -0.16 0.00 -1.81 0.00 0.00 61.98 60.20 1iye s VAL 49 Cb -0.44 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 1iye s VAL 49 CO 0.41 0.06 0.41 -0.69 -0.31 0.00 0.00 175.10 174.98 1iye s VAL 50 N -0.58 5.15 -0.13 1.32 1.01 0.37 -0.44 120.40 127.10 1iye s VAL 50 Ca 0.01 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1iye s VAL 50 Cb -0.06 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1iye s VAL 50 CO 0.00 0.15 1.26 0.12 0.00 0.00 0.00 175.10 176.63 1iye s PHE 51 N 2.07 2.92 -1.40 5.22 5.36 -0.54 -1.64 117.98 129.97 1iye s PHE 51 Ca 0.17 1.04 -0.05 0.00 -0.96 0.00 0.00 56.93 57.12 1iye s PHE 51 Cb -0.16 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1iye s PHE 51 CO 0.10 -1.67 0.36 0.54 -1.46 0.00 0.00 175.22 173.09 1iye n ARG 52 N 6.21 -2.12 0.37 10.12 1.74 0.13 -4.65 116.66 128.45 1iye n ARG 52 Ca 0.13 0.29 -0.18 0.00 -0.77 0.00 0.00 57.85 57.32 1iye n ARG 52 Cb 0.45 -4.03 -0.09 0.00 -1.02 0.00 0.00 32.46 27.78 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 -0.97 -0.76 -1.55 2.76 -1.78 -2.26 115.15 108.69 1iye h HIS 53 Ca -0.65 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 57.57 1iye h HIS 53 Cb 1.38 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 30.62 1iye h HIS 53 CO 0.47 -0.57 0.44 -0.09 -1.30 0.00 0.00 177.93 176.88 1iye h ARG 54 N -0.96 0.77 -0.79 5.26 2.43 -1.92 -1.29 114.38 117.88 1iye h ARG 54 Ca -0.09 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1iye h ARG 54 Cb 0.76 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 1iye h ARG 54 CO 0.11 0.51 0.45 0.93 -1.51 0.00 0.00 179.97 180.46 1iye h GLU 55 N 0.80 0.75 -0.43 0.20 3.07 -1.91 0.15 114.58 117.21 1iye h GLU 55 Ca 0.34 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 59.04 1iye h GLU 55 Cb 0.21 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1iye h GLU 55 CO -0.19 0.50 -0.19 0.45 -1.40 0.00 0.00 179.01 178.18 1iye h HIS 56 N 0.78 1.02 -0.12 4.33 3.86 -0.66 -1.05 115.15 123.31 1iye h HIS 56 Ca 0.37 -0.25 -0.12 0.00 -1.16 0.00 0.00 60.37 59.22 1iye h HIS 56 Cb 0.31 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1iye h HIS 56 CO -0.06 1.03 -0.45 0.52 0.86 0.00 0.00 177.93 179.82 1iye h MET 57 N 0.71 0.28 -0.61 2.45 2.86 -0.83 -0.87 114.93 118.92 1iye h MET 57 Ca 0.10 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1iye h MET 57 Cb 0.75 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1iye h MET 57 CO 0.06 0.68 0.15 0.37 1.06 0.00 0.00 176.91 179.23 1iye h GLN 58 N 0.23 0.97 -0.34 1.72 5.75 -0.55 -1.16 115.11 121.74 1iye h GLN 58 Ca 0.02 -0.23 -0.11 0.00 -0.15 0.00 0.00 58.65 58.17 1iye h GLN 58 Cb 0.89 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1iye h GLN 58 CO 0.07 0.89 -0.24 -0.09 -2.65 0.00 0.00 178.83 176.81 1iye h ARG 59 N 0.89 0.66 -0.50 1.69 2.43 -0.84 -0.48 114.38 118.23 1iye h ARG 59 Ca 0.19 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1iye h ARG 59 Cb 0.35 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1iye h ARG 59 CO 0.00 0.84 0.32 1.25 -1.51 0.00 0.00 179.97 180.88 1iye h LEU 60 N 0.58 0.56 -0.50 3.80 5.85 -0.73 0.81 115.31 125.67 1iye h LEU 60 Ca 0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1iye h LEU 60 Cb 0.72 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1iye h LEU 60 CO 0.05 0.40 0.20 0.45 -0.34 0.00 0.00 178.44 179.21 1iye h HIS 61 N 0.66 0.75 -0.56 1.25 3.86 -0.92 -2.09 115.15 118.11 1iye h HIS 61 Ca 0.19 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1iye h HIS 61 Cb -0.06 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 1iye h HIS 61 CO -0.04 0.62 0.36 -0.44 0.86 0.00 0.00 177.93 179.29 1iye h ASP 62 N 0.66 0.62 -0.77 2.45 3.32 -0.49 0.57 116.42 122.78 1iye h ASP 62 Ca 0.17 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1iye h ASP 62 Cb 0.19 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1iye h ASP 62 CO -0.01 0.44 0.51 0.28 -1.72 0.00 0.00 179.24 178.73 1iye h SER 63 N 0.73 0.89 -0.49 6.45 0.02 -0.65 -1.97 113.55 118.53 1iye h SER 63 Ca 0.21 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1iye h SER 63 Cb -0.06 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1iye h SER 63 CO -0.06 0.65 -0.18 0.00 -1.14 0.00 0.00 176.83 176.10 1iye h ALA 64 N 1.28 0.73 -0.68 3.77 0.00 -0.94 -3.11 119.26 120.31 1iye h ALA 64 Ca 0.28 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1iye h ALA 64 Cb -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1iye h ALA 64 CO -0.06 0.67 0.43 -0.22 0.00 0.00 0.00 179.25 180.07 1iye h LYS 65 N 0.87 0.82 -0.96 0.00 3.64 -0.42 0.76 116.57 121.28 1iye h LYS 65 Ca 0.12 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1iye h LYS 65 Cb 0.75 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1iye h LYS 65 CO 0.06 0.54 0.60 0.82 -2.27 0.00 0.00 179.45 179.20 1iye h ILE 66 N 0.84 0.98 -0.02 2.00 2.04 -1.30 -0.82 117.51 121.23 1iye h ILE 66 Ca 0.27 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1iye h ILE 66 Cb 0.01 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 35.97 1iye h ILE 66 CO -0.10 0.18 0.00 -1.22 0.00 0.00 0.00 178.15 177.01 1iye n TYR 67 N -4.61 0.00 -2.53 1.37 4.02 -0.91 -4.95 117.16 109.55 1iye n TYR 67 Ca 0.16 -0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.87 1iye n TYR 67 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 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 0.42 -2.36 -2.57 -0.72 1.74 0.10 -4.96 116.66 108.31 1iye n ARG 68 Ca 0.18 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.67 1iye n ARG 68 Cb 0.41 -5.35 -0.02 0.00 -1.02 0.00 0.00 32.46 26.47 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 -2.95 3.27 0.10 -1.55 0.08 -0.28 -4.98 117.98 111.65 1iye s PHE 69 Ca 0.09 1.36 -0.31 0.00 0.12 0.00 0.00 56.93 58.18 1iye s PHE 69 Cb -0.04 -3.33 -0.08 0.00 -0.57 0.00 0.00 43.02 39.01 1iye s PHE 69 CO 0.11 -0.86 1.39 -1.25 -0.10 0.00 0.00 175.22 174.51 1iye s PRO 70 N 2.56 4.32 -0.21 0.24 0.04 -1.26 -4.60 135.00 136.10 1iye s PRO 70 Ca 0.51 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.61 1iye s PRO 70 Cb -0.20 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.08 1iye s PRO 70 CO 0.16 -0.45 -0.14 0.08 0.04 0.00 0.00 177.00 176.69 1iye s VAL 71 N 1.29 1.96 -0.47 -0.36 1.01 -1.26 -3.65 120.40 118.92 1iye s VAL 71 Ca 0.64 -1.16 0.24 0.00 0.00 0.00 0.00 61.98 61.70 1iye s VAL 71 Cb -0.36 -1.93 0.27 0.00 0.00 0.00 0.00 36.38 34.36 1iye s VAL 71 CO 0.30 0.27 1.55 0.77 0.00 0.00 0.00 175.10 177.98 1iye h SER 72 N 7.90 0.00 -3.20 3.32 4.64 -1.94 -3.45 113.55 120.82 1iye h SER 72 Ca -0.33 -0.01 -0.58 0.00 -0.47 0.00 0.00 61.79 60.40 1iye h SER 72 Cb 1.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 1iye h SER 72 CO 0.54 0.01 -0.09 -1.10 -0.87 0.00 0.00 176.83 175.31 1iye s GLN 73 N -3.21 4.16 0.68 4.77 1.11 -1.26 -5.08 119.66 120.82 1iye s GLN 73 Ca 0.07 0.61 -0.09 0.00 0.01 0.00 0.00 55.36 55.95 1iye s GLN 73 Cb 0.07 -3.28 0.03 0.00 -1.01 0.00 0.00 33.01 28.82 1iye s GLN 73 CO 0.68 0.55 1.03 -1.54 0.01 0.00 0.00 175.29 176.01 1iye s SER 74 N -0.72 5.30 0.20 5.90 1.04 -1.26 -4.86 113.70 119.29 1iye s SER 74 Ca 0.27 0.85 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 1iye s SER 74 Cb -0.18 -1.66 0.18 0.00 0.10 0.00 0.00 66.02 64.46 1iye s SER 74 CO 0.16 -1.35 1.83 0.40 0.98 0.00 0.00 173.24 175.26 1iye h ILE 75 N -0.53 1.06 -0.55 -1.02 2.04 -1.98 -0.39 117.51 116.13 1iye h ILE 75 Ca -0.45 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1iye h ILE 75 Cb 1.27 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1iye h ILE 75 CO 0.63 0.14 0.33 0.44 0.00 0.00 0.00 178.15 179.68 1iye h ASP 76 N 0.76 0.67 0.11 1.72 5.19 -1.99 -0.48 116.42 122.39 1iye h ASP 76 Ca 0.27 -0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 1iye h ASP 76 Cb 0.06 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1iye h ASP 76 CO -0.12 0.53 -0.22 -0.33 -3.12 0.00 0.00 179.24 175.99 1iye h GLU 77 N 0.74 0.21 -0.27 3.56 5.08 -1.80 -0.08 114.58 122.01 1iye h GLU 77 Ca 0.20 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 1iye h GLU 77 Cb -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iye h GLU 77 CO -0.04 0.42 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.78 1iye h LEU 78 N 0.19 0.95 -0.60 1.33 3.38 -0.58 -1.72 115.31 118.26 1iye h LEU 78 Ca 0.03 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1iye h LEU 78 Cb 0.50 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1iye h LEU 78 CO 0.03 1.31 0.21 0.24 0.09 0.00 0.00 178.44 180.33 1iye h MET 79 N 0.62 0.92 -0.56 1.13 2.86 -0.57 -0.55 114.93 118.79 1iye h MET 79 Ca 0.01 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1iye h MET 79 Cb 1.15 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 1iye h MET 79 CO 0.12 0.81 0.29 1.49 1.06 0.00 0.00 176.91 180.67 1iye h GLU 80 N 0.85 0.80 -0.78 1.72 4.57 -0.95 -1.33 114.58 119.46 1iye h GLU 80 Ca 0.20 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1iye h GLU 80 Cb 0.25 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 1iye h GLU 80 CO -0.01 0.64 0.44 0.00 -1.18 0.00 0.00 179.01 178.90 1iye h ALA 81 N 1.12 1.00 -0.02 2.92 0.00 -0.99 0.69 119.26 123.98 1iye h ALA 81 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iye h ALA 81 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1iye h ALA 81 CO -0.03 0.49 0.01 0.00 0.00 0.00 0.00 179.25 179.73 1iye h ARG 83 N 0.01 1.17 -0.18 0.00 3.08 -1.00 -2.27 114.38 115.19 1iye h ARG 83 Ca 0.01 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1iye h ARG 83 Cb 0.01 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1iye h ARG 83 CO -0.00 0.89 -0.02 0.22 -1.07 0.00 0.00 179.97 179.99 1iye h ASP 84 N 1.15 -0.11 0.51 7.04 -0.00 -0.41 -1.87 116.42 122.73 1iye h ASP 84 Ca 0.28 0.05 -0.07 0.00 -0.00 0.00 0.00 57.03 57.29 1iye h ASP 84 Cb 0.10 0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.51 1iye h ASP 84 CO -0.04 -0.03 -0.31 1.62 -0.00 0.00 0.00 179.24 180.48 1iye h VAL 85 N 0.03 0.98 -0.12 2.25 3.04 -0.69 -0.42 116.25 121.33 1iye h VAL 85 Ca 0.09 -1.18 -0.06 0.00 -1.01 0.00 0.00 66.70 64.54 1iye h VAL 85 Cb 0.12 1.68 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1iye h VAL 85 CO -0.17 0.31 -0.17 0.40 -1.01 0.00 0.00 177.57 176.94 1iye h ILE 86 N 0.00 1.37 -0.56 3.17 2.04 -0.95 -2.88 117.51 119.69 1iye h ILE 86 Ca -0.00 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 1iye h ILE 86 Cb 0.66 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1iye h ILE 86 CO 0.04 0.40 0.05 0.03 0.00 0.00 0.00 178.15 178.67 1iye h ARG 87 N -0.09 0.96 -0.23 2.37 3.08 -1.19 -2.07 114.38 117.22 1iye h ARG 87 Ca 0.01 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.80 1iye h ARG 87 Cb 0.72 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1iye h ARG 87 CO 0.04 0.94 0.16 -0.22 -1.07 0.00 0.00 179.97 179.81 1iye h LYS 88 N 0.85 0.24 -0.21 0.04 1.63 -1.09 0.66 116.57 118.69 1iye h LYS 88 Ca 0.17 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1iye h LYS 88 Cb 0.47 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1iye h LYS 88 CO 0.02 0.16 0.00 0.09 -3.45 0.00 0.00 179.45 176.27 1iye n ASN 89 N -4.50 2.44 -3.81 4.20 3.02 -1.09 -4.88 115.26 110.63 1iye n ASN 89 Ca 0.01 -1.82 -0.24 0.00 -0.03 0.00 0.00 54.58 52.50 1iye n ASN 89 Cb 0.13 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1iye n ASN 89 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1iye n ASN 90 N 0.85 -1.16 -4.88 6.41 5.15 0.22 -4.90 115.26 116.95 1iye n ASN 90 Ca 0.17 -0.89 -0.33 0.00 -0.60 0.00 0.00 54.58 52.94 1iye n ASN 90 Cb 0.46 -3.67 -0.05 0.00 -0.53 0.00 0.00 39.78 35.99 1iye n ASN 90 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1iye s LEU 91 N -6.83 4.26 -0.01 1.20 1.43 -0.82 -4.99 118.68 112.92 1iye s LEU 91 Ca 0.06 0.29 0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1iye s LEU 91 Cb -0.03 -2.57 -0.14 0.00 0.03 0.00 0.00 46.19 43.48 1iye s LEU 91 CO 0.84 0.26 0.26 0.35 0.23 0.00 0.00 176.35 178.29 1iye n THR 92 N 0.94 0.00 -3.81 5.49 -2.24 -1.26 -4.71 114.28 108.69 1iye n THR 92 Ca -0.11 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 1iye n THR 92 Cb 0.52 0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.81 -0.17 -0.08 3.42 1.04 -1.26 -3.08 113.70 110.76 1iye s SER 93 Ca -0.02 0.24 -0.32 0.00 0.48 0.00 0.00 55.95 56.33 1iye s SER 93 Cb 0.06 0.39 0.14 0.00 0.10 0.00 0.00 66.02 66.71 1iye s SER 93 CO 0.40 -0.22 1.38 0.00 0.98 0.00 0.00 173.24 175.78 1iye s ALA 94 N -0.50 -2.39 -0.11 5.32 0.00 0.05 -4.57 121.76 119.56 1iye s ALA 94 Ca -0.06 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1iye s ALA 94 Cb -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1iye s ALA 94 CO 0.01 -1.01 -0.04 -0.47 0.00 0.00 0.00 175.76 174.26 1iye s TYR 95 N -2.17 3.04 -0.06 0.00 5.04 0.67 -0.00 117.35 123.86 1iye s TYR 95 Ca 0.14 -0.08 0.03 0.00 -2.44 0.00 0.00 57.07 54.73 1iye s TYR 95 Cb 0.06 -1.85 -0.02 0.00 0.35 0.00 0.00 41.96 40.50 1iye s TYR 95 CO -0.05 0.20 -0.15 0.42 -1.34 0.00 0.00 175.55 174.62 1iye s ILE 96 N -0.29 2.94 -0.52 3.14 1.09 0.28 -1.42 121.20 126.43 1iye s ILE 96 Ca 0.05 -0.76 0.04 0.00 -1.10 0.00 0.00 60.65 58.88 1iye s ILE 96 Cb -0.13 -2.16 0.14 0.00 -1.06 0.00 0.00 42.46 39.25 1iye s ILE 96 CO 0.02 0.58 0.28 -0.60 -0.10 0.00 0.00 174.94 175.12 1iye s ARG 97 N -0.46 1.84 0.26 2.79 6.06 0.17 -1.63 118.95 127.98 1iye s ARG 97 Ca 0.06 -2.54 -0.29 0.00 -2.50 0.00 0.00 55.73 50.45 1iye s ARG 97 Cb -0.12 -3.05 -0.09 0.00 0.06 0.00 0.00 34.95 31.75 1iye s ARG 97 CO 0.02 -1.15 0.98 -2.14 -2.50 0.00 0.00 175.30 170.51 1iye s PRO 98 N -0.25 4.76 -0.08 5.12 0.02 -1.24 -2.36 135.00 140.97 1iye s PRO 98 Ca 0.18 1.56 -0.03 0.00 0.02 0.00 0.00 61.00 62.73 1iye s PRO 98 Cb -0.23 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.14 1iye s PRO 98 CO -0.02 0.40 0.15 -1.17 -0.33 0.00 0.00 177.00 176.03 1iye s LEU 99 N -1.36 0.18 -0.20 -5.54 2.96 0.12 -1.98 118.68 112.86 1iye s LEU 99 Ca 0.43 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1iye s LEU 99 Cb -0.27 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 1iye s LEU 99 CO 0.34 -0.21 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.50 1iye s ILE 100 N 1.94 3.75 0.04 6.68 1.01 -0.17 -0.52 121.20 133.93 1iye s ILE 100 Ca -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1iye s ILE 100 Cb -0.12 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1iye s ILE 100 CO -0.06 0.43 0.07 0.72 0.00 0.00 0.00 174.94 176.10 1iye s PHE 101 N 1.13 0.24 -0.22 3.97 -0.12 -0.01 -0.85 117.98 122.12 1iye s PHE 101 Ca 0.02 -0.58 -0.28 0.00 -0.05 0.00 0.00 56.93 56.05 1iye s PHE 101 Cb -0.14 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 1iye s PHE 101 CO 0.01 -0.36 0.97 0.08 -0.05 0.00 0.00 175.22 175.87 1iye s VAL 102 N -2.71 4.74 0.00 -2.49 1.01 -0.86 -0.77 120.40 119.32 1iye s VAL 102 Ca -0.04 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1iye s VAL 102 Cb -0.01 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1iye s VAL 102 CO -0.05 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1iye n GLY 103 N 3.43 1.31 3.57 4.51 0.00 -1.26 -1.34 105.19 115.40 1iye n GLY 103 Ca 0.10 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 6.02 0.00 1.61 3.68 -1.26 0.03 116.67 125.75 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 -1.97 0.63 1.33 0.13 0.00 0.00 175.17 175.30 1iye n VAL 105 N 7.18 0.40 0.00 1.11 0.24 -1.26 -5.01 118.33 121.00 1iye n VAL 105 Ca 0.39 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1iye n VAL 105 Cb 0.49 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.20 2.65 3.87 7.63 0.00 -1.26 -4.61 105.19 113.26 1iye n GLY 106 Ca 0.00 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.16 1.94 0.00 1.61 -1.94 -1.26 -4.79 119.30 111.69 1iye s MET 107 Ca 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1iye s MET 107 Cb 0.00 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.90 1iye s MET 107 CO 0.00 -1.64 0.00 0.41 -0.01 0.00 0.00 175.02 173.78 1iye n GLY 108 N -2.94 1.52 0.42 -0.03 0.00 -1.26 -4.88 105.19 98.02 1iye n GLY 108 Ca 0.07 -1.17 0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 0.42 -3.56 1.61 3.04 -2.00 -3.37 116.25 112.39 1iye h VAL 109 Ca 0.00 -0.11 -0.60 0.00 -1.01 0.00 0.00 66.70 64.98 1iye h VAL 109 Cb 0.00 0.08 -0.10 0.00 -2.01 0.00 0.00 31.29 29.26 1iye h VAL 109 CO 0.00 0.06 0.55 0.20 -1.01 0.00 0.00 177.57 177.37 1iye s ASN 110 N -5.06 6.58 0.68 3.17 -0.87 -1.26 -5.03 114.94 113.16 1iye s ASN 110 Ca -0.08 0.36 -0.16 0.00 -1.57 0.00 0.00 52.86 51.41 1iye s ASN 110 Cb 0.27 -2.45 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1iye s ASN 110 CO 0.80 -0.91 1.18 -2.84 -2.57 0.00 0.00 177.10 172.76 1iye s PRO 111 N 3.51 2.48 0.45 -0.60 0.02 -1.26 -4.97 135.00 134.64 1iye s PRO 111 Ca 0.36 1.65 -0.24 0.00 0.02 0.00 0.00 61.00 62.80 1iye s PRO 111 Cb -0.11 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1iye s PRO 111 CO 0.21 -1.55 1.21 -1.25 -0.33 0.00 0.00 177.00 175.30 1iye s PRO 112 N -3.87 3.75 0.34 5.54 0.04 -1.26 -4.95 135.00 134.59 1iye s PRO 112 Ca 0.72 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 1iye s PRO 112 Cb -0.27 -2.48 -0.12 0.00 0.04 0.00 0.00 34.50 31.67 1iye s PRO 112 CO 0.42 -0.60 1.32 0.00 0.04 0.00 0.00 177.00 178.18 1iye n ALA 113 N -0.39 1.41 -0.26 8.56 0.00 -1.26 -2.24 120.51 126.33 1iye n ALA 113 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1iye n ALA 113 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 0.84 1.20 3.68 0.00 0.00 -1.26 -5.05 105.19 104.61 1iye n GLY 114 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.79 1.85 0.26 1.61 -0.85 -0.95 -5.06 117.35 111.42 1iye s TYR 115 Ca 0.00 1.67 0.09 0.00 -0.52 0.00 0.00 57.07 58.31 1iye s TYR 115 Cb 0.00 -3.25 -0.05 0.00 0.38 0.00 0.00 41.96 39.04 1iye s TYR 115 CO 0.00 -2.64 -0.14 -1.12 -1.52 0.00 0.00 175.55 170.13 1iye s SER 116 N -2.86 3.07 0.26 -0.18 0.01 -1.26 -4.80 113.70 107.93 1iye s SER 116 Ca 0.65 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.89 1iye s SER 116 Cb -0.21 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1iye s SER 116 CO 0.58 -0.15 0.34 0.42 0.41 0.00 0.00 173.24 174.85 1iye s THR 117 N -2.79 4.94 0.01 1.44 -4.23 -1.24 -4.57 115.64 109.20 1iye s THR 117 Ca 0.28 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1iye s THR 117 Cb -0.01 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1iye s THR 117 CO 0.12 -0.31 0.14 -1.81 -0.54 0.00 0.00 174.62 172.21 1iye s ASP 118 N -3.98 6.01 -0.03 3.99 1.01 0.05 -4.93 116.67 118.79 1iye s ASP 118 Ca 0.35 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.86 1iye s ASP 118 Cb -0.09 -1.80 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1iye s ASP 118 CO 0.29 0.24 -0.10 -0.69 0.21 0.00 0.00 175.17 175.12 1iye s VAL 119 N -1.31 0.88 0.07 -1.27 1.01 -1.26 -0.83 120.40 117.69 1iye s VAL 119 Ca 0.27 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1iye s VAL 119 Cb -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1iye s VAL 119 CO 0.19 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.75 1iye s ILE 120 N 0.28 1.47 -0.21 2.22 1.09 0.32 -1.60 121.20 124.78 1iye s ILE 120 Ca -0.05 -1.33 -0.04 0.00 -1.10 0.00 0.00 60.65 58.13 1iye s ILE 120 Cb -0.10 -1.34 0.08 0.00 -1.06 0.00 0.00 42.46 40.04 1iye s ILE 120 CO 0.01 -0.03 0.15 -0.63 -0.10 0.00 0.00 174.94 174.34 1iye s ILE 121 N -1.06 -0.18 -0.08 2.92 1.01 -0.58 0.11 121.20 123.35 1iye s ILE 121 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1iye s ILE 121 Cb -0.09 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 1iye s ILE 121 CO 0.03 -0.35 -0.08 0.00 0.00 0.00 0.00 174.94 174.55 1iye s ALA 122 N 2.20 2.93 -0.03 9.38 0.00 -0.99 -2.02 121.76 133.23 1iye s ALA 122 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1iye s ALA 122 Cb -0.16 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1iye s ALA 122 CO -0.16 0.51 -0.22 0.00 0.00 0.00 0.00 175.76 175.89 1iye s ALA 123 N -0.61 1.88 -0.16 0.00 0.00 -1.26 0.45 121.76 122.06 1iye s ALA 123 Ca 0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1iye s ALA 123 Cb -0.12 -0.52 0.13 0.00 0.00 0.00 0.00 23.12 22.61 1iye s ALA 123 CO 0.02 0.42 1.00 -0.59 0.00 0.00 0.00 175.76 176.60 1iye s PHE 124 N -0.37 -0.37 0.35 0.00 -0.12 -0.51 -4.57 117.98 112.40 1iye s PHE 124 Ca 0.04 0.63 -0.28 0.00 -0.05 0.00 0.00 56.93 57.26 1iye s PHE 124 Cb -0.10 0.45 -0.11 0.00 -0.63 0.00 0.00 43.02 42.63 1iye s PHE 124 CO 0.01 -0.34 1.40 -2.14 -0.05 0.00 0.00 175.22 174.09 1iye s PRO 125 N -1.14 4.22 -0.16 1.99 0.02 -1.26 -0.23 135.00 138.44 1iye s PRO 125 Ca -0.02 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.35 1iye s PRO 125 Cb -0.00 -3.02 0.07 0.00 0.02 0.00 0.00 34.50 31.57 1iye s PRO 125 CO 0.01 -0.38 0.34 -0.46 -0.33 0.00 0.00 177.00 176.19 1iye s TRP 126 N -1.11 -0.57 0.12 6.54 -0.00 -1.26 -4.73 118.94 117.93 1iye s TRP 126 Ca 0.51 1.19 -0.02 0.00 -0.00 0.00 0.00 56.10 57.78 1iye s TRP 126 Cb -0.43 0.14 0.03 0.00 -0.00 0.00 0.00 33.47 33.21 1iye s TRP 126 CO 0.58 -0.38 0.12 0.41 -0.00 0.00 0.00 176.95 177.69 1iye n GLY 127 N 5.00 -2.00 3.68 5.86 0.00 -1.26 -4.84 105.19 111.64 1iye n GLY 127 Ca -0.13 -1.53 -0.46 0.00 0.00 0.00 0.00 46.02 43.90 1iye n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iye n ALA 128 N -3.15 1.41 -0.34 4.61 0.00 -1.26 -4.87 120.51 116.90 1iye n ALA 128 Ca -0.02 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.87 1iye n ALA 128 Cb 0.06 -2.44 0.24 0.00 0.00 0.00 0.00 19.45 17.31 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 7.27 1.03 -0.53 0.00 3.20 -1.87 -2.90 116.97 123.18 1iye h TYR 129 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1iye h TYR 129 Cb 1.25 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1iye h TYR 129 CO 0.72 0.36 0.00 1.28 -1.64 0.00 0.00 178.16 178.88 1iye n LEU 130 N -4.70 4.36 0.00 2.82 4.77 -1.26 -5.01 117.00 117.99 1iye n LEU 130 Ca 0.19 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1iye n LEU 130 Cb 0.39 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1iye n LEU 130 CO 0.25 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1iye n GLY 131 N 0.71 3.39 0.23 -0.72 0.00 -1.10 -4.57 105.19 103.13 1iye n GLY 131 Ca 0.23 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 1.44 -0.01 4.61 0.00 -1.98 -2.99 119.26 120.34 1iye h ALA 132 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1iye h ALA 132 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1iye h ALA 132 CO 0.00 0.26 -0.68 0.39 0.00 0.00 0.00 179.25 179.22 1iye n GLU 133 N -3.98 1.18 -0.08 0.00 -0.58 -1.26 -4.72 120.64 111.20 1iye n GLU 133 Ca -0.02 -0.35 -0.12 0.00 -0.42 0.00 0.00 57.16 56.25 1iye n GLU 133 Cb 0.29 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 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 2.87 -0.60 -0.87 0.62 0.00 -1.77 0.31 119.26 119.82 1iye h ALA 134 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1iye h ALA 134 Cb 0.52 0.93 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1iye h ALA 134 CO 0.00 -0.95 0.57 -0.07 0.00 0.00 0.00 179.25 178.80 1iye h LEU 135 N -0.42 0.92 0.14 0.00 3.38 -1.85 0.57 115.31 118.05 1iye h LEU 135 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1iye h LEU 135 Cb 0.61 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iye h LEU 135 CO -0.52 0.62 -0.06 -0.33 0.09 0.00 0.00 178.44 178.24 1iye h GLU 136 N 1.06 -0.17 -0.00 1.13 3.07 -1.80 -3.41 114.58 114.46 1iye h GLU 136 Ca 0.35 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1iye h GLU 136 Cb 0.07 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1iye h GLU 136 CO -0.11 -0.10 -0.70 1.04 -1.40 0.00 0.00 179.01 177.74 1iye n GLN 137 N -4.90 0.07 0.00 2.33 6.02 0.07 -4.60 117.38 116.37 1iye n GLN 137 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1iye n GLN 137 Cb 0.08 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 1.49 -1.21 3.45 1.08 0.00 0.19 -4.52 105.19 105.67 1iye n GLY 138 Ca 0.05 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.20 1.62 -0.28 -0.61 -5.25 0.41 -4.63 121.20 110.27 1iye s ILE 139 Ca 0.00 -2.10 -0.11 0.00 -0.99 0.00 0.00 60.65 57.45 1iye s ILE 139 Cb 0.00 -2.56 -0.05 0.00 2.95 0.00 0.00 42.46 42.80 1iye s ILE 139 CO 0.00 -0.22 0.19 -1.81 -1.79 0.00 0.00 174.94 171.31 1iye s ASP 140 N -3.48 6.02 0.26 4.36 1.01 -1.26 -0.95 116.67 122.63 1iye s ASP 140 Ca 0.31 -0.03 0.06 0.00 0.71 0.00 0.00 52.55 53.61 1iye s ASP 140 Cb 0.05 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.83 1iye s ASP 140 CO 0.13 -0.06 0.30 0.00 0.21 0.00 0.00 175.17 175.75 1iye s ALA 141 N 1.76 3.81 0.00 5.23 0.00 0.11 -1.17 121.76 131.50 1iye s ALA 141 Ca 0.07 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1iye s ALA 141 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1iye s ALA 141 CO 0.11 0.21 -0.06 1.41 0.00 0.00 0.00 175.76 177.44 1iye s MET 142 N -3.94 0.44 -0.13 0.00 1.75 -0.70 -0.94 119.30 115.78 1iye s MET 142 Ca 0.35 -0.29 -0.26 0.00 -1.25 0.00 0.00 55.69 54.24 1iye s MET 142 Cb -0.08 -0.38 -0.02 0.00 2.84 0.00 0.00 34.83 37.19 1iye s MET 142 CO 0.27 0.10 0.87 0.08 -0.65 0.00 0.00 175.02 175.69 1iye s VAL 143 N -0.35 4.87 0.64 10.11 1.01 -1.26 0.03 120.40 135.45 1iye s VAL 143 Ca -0.00 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1iye s VAL 143 Cb -0.03 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1iye s VAL 143 CO -0.00 0.05 1.04 -0.55 0.00 0.00 0.00 175.10 175.64 1iye s SER 144 N 1.09 5.81 0.00 3.32 0.15 0.06 -4.88 113.70 119.25 1iye s SER 144 Ca 0.41 1.59 0.27 0.00 0.70 0.00 0.00 55.95 58.93 1iye s SER 144 Cb -0.17 -2.50 0.87 0.00 -1.71 0.00 0.00 66.02 62.51 1iye s SER 144 CO 0.15 -1.15 1.63 -1.54 1.20 0.00 0.00 173.24 173.53 1iye n SER 145 N -2.68 1.29 -4.74 5.45 3.41 -1.26 -4.73 113.62 110.35 1iye n SER 145 Ca 0.07 -1.19 -0.36 0.00 -0.26 0.00 0.00 58.87 57.13 1iye n SER 145 Cb 0.54 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.27 3.33 0.15 7.33 0.52 -1.26 -5.11 118.94 121.62 1iye s TRP 146 Ca 0.30 0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.73 1iye s TRP 146 Cb 0.20 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1iye s TRP 146 CO 0.43 0.50 0.29 -0.80 0.02 0.00 0.00 176.95 177.39 1iye s ASN 147 N -0.70 6.35 0.58 2.95 -0.87 -1.26 -4.34 114.94 117.64 1iye s ASN 147 Ca 0.12 0.20 -0.16 0.00 -1.57 0.00 0.00 52.86 51.45 1iye s ASN 147 Cb -0.12 -1.92 -0.04 0.00 -0.02 0.00 0.00 41.25 39.15 1iye s ASN 147 CO 0.02 0.05 1.06 -0.13 -2.57 0.00 0.00 177.10 175.53 1iye s ARG 148 N -3.18 3.38 0.25 -0.60 1.81 -0.54 -4.96 118.95 115.11 1iye s ARG 148 Ca 0.35 1.22 -0.29 0.00 -1.72 0.00 0.00 55.73 55.29 1iye s ARG 148 Cb -0.11 -2.04 -0.15 0.00 -0.45 0.00 0.00 34.95 32.20 1iye s ARG 148 CO 0.28 -0.76 1.01 0.00 -0.68 0.00 0.00 175.30 175.15 1iye n ALA 149 N -1.90 -0.60 -1.78 2.13 0.00 -1.26 -4.13 120.51 112.97 1iye n ALA 149 Ca 0.09 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 1iye n ALA 149 Cb 0.53 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.81 2.94 0.51 0.00 0.00 -1.26 -4.80 121.76 118.34 1iye s ALA 150 Ca 0.63 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 1iye s ALA 150 Cb -0.76 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 1iye s ALA 150 CO 0.57 -0.34 1.09 -2.30 0.00 0.00 0.00 175.76 174.78 1iye n PRO 151 N -1.44 1.33 -2.02 0.00 -0.02 -1.26 -2.76 135.00 128.83 1iye n PRO 151 Ca 0.08 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 1iye n PRO 151 Cb 0.53 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.26 -5.21 0.00 2.55 5.15 -1.26 -4.88 115.26 111.35 1iye n ASN 152 Ca 0.11 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1iye n ASN 152 Cb 0.43 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.40 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 -3.41 0.00 -4.44 -0.44 -2.24 -1.11 -4.99 114.28 97.66 1iye n THR 153 Ca -0.20 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1iye n THR 153 Cb 0.63 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.00 2.55 -0.23 2.28 -4.36 -1.26 -5.07 121.20 115.11 1iye s ILE 154 Ca 0.00 -0.80 -0.36 0.00 -0.26 0.00 0.00 60.65 59.23 1iye s ILE 154 Cb 0.00 -2.08 -0.12 0.00 1.25 0.00 0.00 42.46 41.51 1iye s ILE 154 CO 0.00 0.52 1.97 -2.65 0.24 0.00 0.00 174.94 175.02 1iye n PRO 155 N 4.21 1.57 0.00 0.37 -0.02 -1.26 -4.86 135.00 135.01 1iye n PRO 155 Ca -0.19 0.53 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 1iye n PRO 155 Cb 0.51 -2.50 0.66 0.00 -0.02 0.00 0.00 33.50 32.15 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 5.86 0.00 0.37 3.45 -2.24 -1.26 -2.96 114.28 117.50 1iye n THR 156 Ca 0.30 -0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1iye n THR 156 Cb 0.24 0.09 0.18 0.00 -2.10 0.00 0.00 70.33 68.74 1iye n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iye h ALA 157 N 4.07 0.77 -2.69 6.98 0.00 -1.89 -3.36 119.26 123.14 1iye h ALA 157 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1iye h ALA 157 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1iye h ALA 157 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.09 1iye s ALA 158 N -3.21 3.67 -0.78 0.00 0.00 -1.16 -4.66 121.76 115.62 1iye s ALA 158 Ca 0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1iye s ALA 158 Cb 0.10 -2.45 0.20 0.00 0.00 0.00 0.00 23.12 20.97 1iye s ALA 158 CO 0.70 0.45 0.72 0.21 0.00 0.00 0.00 175.76 177.84 1iye s LYS 159 N -1.05 3.49 0.09 0.00 2.20 -1.26 -4.98 119.74 118.22 1iye s LYS 159 Ca 0.25 -2.36 0.08 0.00 -0.36 0.00 0.00 55.97 53.58 1iye s LYS 159 Cb -0.17 -4.39 -0.04 0.00 -1.51 0.00 0.00 37.83 31.72 1iye s LYS 159 CO 0.15 -1.29 -0.18 0.00 -0.36 0.00 0.00 175.35 173.66 1iye s ALA 160 N 0.36 2.64 0.17 3.13 0.00 -1.26 -1.80 121.76 125.00 1iye s ALA 160 Ca 0.16 -1.30 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 1iye s ALA 160 Cb -0.13 -0.67 0.13 0.00 0.00 0.00 0.00 23.12 22.45 1iye s ALA 160 CO -0.07 0.58 1.68 0.78 0.00 0.00 0.00 175.76 178.73 1iye h GLY 161 N 4.04 0.40 1.22 0.00 0.00 -0.89 -1.86 103.07 105.98 1iye h GLY 161 Ca -0.49 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.01 1iye h GLY 161 CO 0.46 -0.13 0.30 -1.33 0.00 0.00 0.00 176.54 175.84 1iye h GLY 162 N 0.07 0.00 1.09 4.60 0.00 -1.61 -1.87 103.07 105.35 1iye h GLY 162 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.58 1iye h GLY 162 CO -0.39 0.00 0.52 3.43 0.00 0.00 0.00 176.54 180.10 1iye h ASN 163 N 0.00 0.84 0.05 0.19 4.21 -1.65 -3.18 115.58 116.04 1iye h ASN 163 Ca 0.15 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1iye h ASN 163 Cb 0.75 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1iye h ASN 163 CO -0.00 0.58 0.00 -1.22 -1.29 0.00 0.00 177.43 175.49 1iye n TYR 164 N -4.45 0.00 -0.17 1.19 4.02 -0.70 -2.22 117.16 114.83 1iye n TYR 164 Ca 0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.94 1iye n TYR 164 Cb 0.12 -0.08 0.12 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.89 -0.17 7.72 3.38 -1.77 -0.34 115.31 125.03 1iye h LEU 165 Ca 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1iye h LEU 165 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1iye h LEU 165 CO 0.00 0.91 0.05 -1.28 0.09 0.00 0.00 178.44 178.22 1iye h SER 166 N 0.88 0.25 0.10 -0.43 0.87 -1.71 -2.01 113.55 111.49 1iye h SER 166 Ca 0.18 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1iye h SER 166 Cb 0.42 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1iye h SER 166 CO 0.01 0.38 -0.14 0.28 -0.53 0.00 0.00 176.83 176.84 1iye h SER 167 N 0.10 0.08 -0.28 6.23 0.02 -1.62 -0.42 113.55 117.67 1iye h SER 167 Ca 0.05 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1iye h SER 167 Cb 0.22 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1iye h SER 167 CO -0.00 0.23 -0.07 0.25 -1.14 0.00 0.00 176.83 176.10 1iye h LEU 168 N 0.09 0.54 -0.29 5.07 5.85 -0.74 0.13 115.31 125.95 1iye h LEU 168 Ca 0.02 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1iye h LEU 168 Cb 0.30 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1iye h LEU 168 CO 0.02 0.79 0.09 -0.07 -0.34 0.00 0.00 178.44 178.92 1iye h LEU 169 N 0.29 0.43 0.25 2.25 3.38 -0.78 0.20 115.31 121.34 1iye h LEU 169 Ca 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1iye h LEU 169 Cb 0.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1iye h LEU 169 CO 0.03 0.53 -0.12 0.58 0.09 0.00 0.00 178.44 179.54 1iye h VAL 170 N 0.32 0.81 -0.57 1.22 2.07 -1.07 -2.58 116.25 116.45 1iye h VAL 170 Ca 0.09 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1iye h VAL 170 Cb 0.25 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1iye h VAL 170 CO -0.00 0.11 0.20 1.23 0.02 0.00 0.00 177.57 179.13 1iye h GLY 171 N -0.61 0.94 1.59 2.17 0.00 -0.76 -2.93 103.07 103.47 1iye h GLY 171 Ca -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1iye h GLY 171 CO 0.06 0.50 -0.13 1.48 0.00 0.00 0.00 176.54 178.45 1iye h SER 172 N 0.79 0.48 -0.04 0.19 4.64 -1.02 -2.45 113.55 116.14 1iye h SER 172 Ca 0.19 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1iye h SER 172 Cb 0.25 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1iye h SER 172 CO -0.01 0.64 0.01 -0.08 -0.87 0.00 0.00 176.83 176.52 1iye h GLU 173 N 0.45 0.07 -0.44 4.77 4.81 -1.32 -0.37 114.58 122.54 1iye h GLU 173 Ca 0.08 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1iye h GLU 173 Cb 0.50 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1iye h GLU 173 CO 0.03 0.23 0.18 0.00 -0.73 0.00 0.00 179.01 178.72 1iye h ALA 174 N 0.83 0.54 -0.60 2.92 0.00 -1.39 -1.92 119.26 119.64 1iye h ALA 174 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1iye h ALA 174 Cb 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1iye h ALA 174 CO -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 179.25 179.20 1iye h ARG 175 N 0.36 0.93 -0.10 0.00 3.08 -1.28 0.13 114.38 117.50 1iye h ARG 175 Ca 0.20 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1iye h ARG 175 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1iye h ARG 175 CO -0.19 0.83 -0.21 0.00 -1.07 0.00 0.00 179.97 179.34 1iye h ARG 176 N 0.90 0.17 -0.27 0.04 3.08 -0.56 -2.28 114.38 115.45 1iye h ARG 176 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1iye h ARG 176 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1iye h ARG 176 CO -0.00 0.38 0.00 0.72 -1.07 0.00 0.00 179.97 180.00 1iye n HIS 177 N -4.22 0.36 -0.42 3.04 8.25 -0.77 -4.91 115.22 116.54 1iye n HIS 177 Ca -0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1iye n HIS 177 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 1.09 0.77 3.98 -1.41 0.00 -0.86 -5.08 105.19 103.68 1iye n GLY 178 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.16 3.13 -0.15 1.61 1.51 0.40 -4.99 117.35 116.70 1iye s TYR 179 Ca 0.00 -0.07 0.19 0.00 -1.01 0.00 0.00 57.07 56.18 1iye s TYR 179 Cb 0.00 -2.15 -0.12 0.00 -0.11 0.00 0.00 41.96 39.58 1iye s TYR 179 CO 0.00 -0.18 0.83 1.04 -1.11 0.00 0.00 175.55 176.13 1iye n GLN 180 N -1.83 0.62 -3.56 -0.62 6.02 -0.32 -3.51 117.38 114.18 1iye n GLN 180 Ca 0.01 0.17 -0.16 0.00 -0.01 0.00 0.00 57.00 57.00 1iye n GLN 180 Cb 0.58 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 1iye n GLN 180 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1iye s GLU 181 N -3.05 1.00 -0.04 -1.09 2.56 -1.23 -4.85 118.70 112.00 1iye s GLU 181 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.97 54.97 1iye s GLU 181 Cb 0.09 0.47 -0.04 0.00 2.00 0.00 0.00 34.13 36.65 1iye s GLU 181 CO 0.81 -0.33 0.06 0.20 -0.56 0.00 0.00 175.26 175.44 1iye s GLY 182 N -1.46 1.98 -0.17 -1.50 0.00 -1.26 -1.72 107.32 103.18 1iye s GLY 182 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 1iye s GLY 182 CO 0.05 -0.67 -0.08 -0.42 0.00 0.00 0.00 173.10 171.98 1iye s ILE 183 N -1.09 3.29 0.05 0.90 1.01 0.10 -2.09 121.20 123.39 1iye s ILE 183 Ca 0.19 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1iye s ILE 183 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1iye s ILE 183 CO 0.09 0.48 0.12 0.00 0.00 0.00 0.00 174.94 175.63 1iye s ALA 184 N 0.79 3.69 0.13 9.38 0.00 0.03 -0.76 121.76 135.03 1iye s ALA 184 Ca -0.03 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1iye s ALA 184 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1iye s ALA 184 CO 0.01 0.76 0.26 -0.51 0.00 0.00 0.00 175.76 176.29 1iye s LEU 185 N -2.27 4.32 0.00 0.00 1.43 -1.26 -1.04 118.68 119.85 1iye s LEU 185 Ca 0.29 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.48 1iye s LEU 185 Cb -0.12 -2.89 0.13 0.00 0.03 0.00 0.00 46.19 43.33 1iye s LEU 185 CO 0.22 0.07 0.76 -0.90 0.23 0.00 0.00 176.35 176.73 1iye n ASP 186 N -0.40 0.10 0.00 2.29 5.75 0.44 -1.47 116.55 123.26 1iye n ASP 186 Ca -0.07 -1.30 0.07 0.00 -0.01 0.00 0.00 54.79 53.48 1iye n ASP 186 Cb 0.54 -0.58 0.35 0.00 -1.03 0.00 0.00 41.12 40.40 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 -3.02 0.61 1.03 2.12 0.24 -1.26 -2.10 118.33 115.95 1iye n VAL 187 Ca 0.10 0.15 0.11 0.00 -2.04 0.00 0.00 64.34 62.66 1iye n VAL 187 Cb 0.34 -0.92 0.03 0.00 -1.47 0.00 0.00 33.84 31.82 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 -1.28 1.38 0.00 -1.34 3.02 -1.26 -4.96 115.26 110.81 1iye n ASN 188 Ca 0.07 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1iye n ASN 188 Cb 0.11 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 1.45 0.78 3.83 7.41 0.00 -0.89 -5.08 105.19 112.67 1iye n GLY 189 Ca 0.07 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 3.01 0.21 1.61 1.51 -1.26 -4.16 117.35 116.27 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 -1.55 -0.10 0.00 -0.11 0.00 0.00 41.96 40.20 1iye s TYR 190 CO 0.00 0.39 1.54 0.42 -1.11 0.00 0.00 175.55 176.79 1iye s ILE 191 N -2.21 2.53 0.00 2.71 1.01 -0.27 -0.42 121.20 124.56 1iye s ILE 191 Ca 0.36 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1iye s ILE 191 Cb -0.07 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1iye s ILE 191 CO 0.25 0.05 0.00 -0.24 0.00 0.00 0.00 174.94 175.00 1iye n SER 192 N 3.29 0.00 -3.30 3.58 2.88 -0.21 -4.64 113.62 115.21 1iye n SER 192 Ca 0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.61 1iye n SER 192 Cb 0.39 -0.06 0.02 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.20 1.48 0.75 -1.46 -1.05 -1.17 -4.58 118.70 112.47 1iye s GLU 193 Ca 0.00 -0.94 -0.08 0.00 -0.15 0.00 0.00 54.97 53.79 1iye s GLU 193 Cb 0.00 0.42 0.08 0.00 -0.44 0.00 0.00 34.13 34.18 1iye s GLU 193 CO 0.00 -0.69 1.08 0.20 0.95 0.00 0.00 175.26 176.79 1iye s GLY 194 N -3.32 1.67 0.43 -3.83 0.00 0.12 -0.79 107.32 101.60 1iye s GLY 194 Ca 0.20 -0.88 0.15 0.00 0.00 0.00 0.00 44.72 44.19 1iye s GLY 194 CO 0.06 -0.43 1.95 0.00 0.00 0.00 0.00 173.10 174.68 1iye h ALA 195 N -0.78 2.06 -0.16 3.20 0.00 -1.76 -3.17 119.26 118.66 1iye h ALA 195 Ca -0.45 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1iye h ALA 195 Cb 1.31 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.71 1iye h ALA 195 CO 0.60 -0.23 -0.84 0.41 0.00 0.00 0.00 179.25 179.19 1iye n GLY 196 N -1.52 1.38 3.39 0.00 0.00 -1.26 -4.70 105.19 102.47 1iye n GLY 196 Ca 0.12 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1iye n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iye s GLU 197 N -1.37 1.19 0.33 1.61 8.01 -1.20 -4.81 118.70 122.46 1iye s GLU 197 Ca 0.23 -0.67 -0.00 0.00 0.01 0.00 0.00 54.97 54.53 1iye s GLU 197 Cb 0.32 0.51 -0.04 0.00 -4.31 0.00 0.00 34.13 30.62 1iye s GLU 197 CO -0.09 -0.49 0.54 -0.80 0.01 0.00 0.00 175.26 174.42 1iye s ASN 198 N -2.80 6.32 -0.12 -0.19 0.01 0.27 0.12 114.94 118.55 1iye s ASN 198 Ca 0.04 0.48 0.00 0.00 -0.71 0.00 0.00 52.86 52.66 1iye s ASN 198 Cb 0.00 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1iye s ASN 198 CO -0.11 -0.26 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.87 1iye s LEU 199 N -4.15 2.75 0.10 0.60 1.98 -1.26 -1.28 118.68 117.42 1iye s LEU 199 Ca 0.40 -0.30 0.09 0.00 -2.89 0.00 0.00 54.13 51.44 1iye s LEU 199 Cb -0.10 -1.61 -0.03 0.00 0.66 0.00 0.00 46.19 45.11 1iye s LEU 199 CO 0.35 0.19 -0.24 -0.36 -1.89 0.00 0.00 176.35 174.41 1iye s PHE 200 N 0.18 2.03 0.08 5.38 0.40 -0.19 -4.18 117.98 121.68 1iye s PHE 200 Ca -0.07 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1iye s PHE 200 Cb -0.15 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 1iye s PHE 200 CO 0.05 0.23 -0.15 -1.21 0.70 0.00 0.00 175.22 174.83 1iye s GLU 201 N -1.78 0.89 -0.11 0.44 2.02 0.69 -1.91 118.70 118.95 1iye s GLU 201 Ca 0.10 -1.02 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1iye s GLU 201 Cb -0.10 -0.93 0.02 0.00 0.10 0.00 0.00 34.13 33.22 1iye s GLU 201 CO 0.04 0.21 -0.13 0.08 0.02 0.00 0.00 175.26 175.48 1iye s VAL 202 N -1.35 1.35 -0.06 2.63 1.01 -0.24 0.27 120.40 124.00 1iye s VAL 202 Ca 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1iye s VAL 202 Cb -0.09 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1iye s VAL 202 CO 0.03 0.41 0.12 -0.75 0.00 0.00 0.00 175.10 174.91 1iye s LYS 203 N 1.19 0.00 -1.40 2.72 2.47 -0.54 -0.03 119.74 124.15 1iye s LYS 203 Ca -0.03 0.46 -0.05 0.00 -1.56 0.00 0.00 55.97 54.78 1iye s LYS 203 Cb -0.14 -0.33 0.03 0.00 -1.46 0.00 0.00 37.83 35.93 1iye s LYS 203 CO -0.04 -0.28 0.77 -0.25 0.16 0.00 0.00 175.35 175.70 1iye n ASP 204 N 5.08 -2.33 0.00 1.43 8.00 -1.26 -1.74 116.55 125.73 1iye n ASP 204 Ca -0.09 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1iye n ASP 204 Cb 0.50 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 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 -1.66 0.48 3.61 0.44 0.00 -1.26 -5.00 105.19 101.81 1iye n GLY 205 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.35 3.92 -0.11 1.61 1.01 -0.71 -4.44 120.40 119.33 1iye s VAL 206 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1iye s VAL 206 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1iye s VAL 206 CO 0.00 0.60 0.44 -0.22 0.00 0.00 0.00 175.10 175.92 1iye s LEU 207 N -0.79 4.30 0.04 3.92 2.96 -0.13 -1.47 118.68 127.51 1iye s LEU 207 Ca 0.12 0.79 0.08 0.00 -0.22 0.00 0.00 54.13 54.89 1iye s LEU 207 Cb -0.11 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1iye s LEU 207 CO 0.02 0.06 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.53 1iye s PHE 208 N 0.37 1.92 -0.18 5.38 0.40 0.14 -0.42 117.98 125.60 1iye s PHE 208 Ca 0.24 -0.38 -0.24 0.00 -0.60 0.00 0.00 56.93 55.95 1iye s PHE 208 Cb -0.15 -1.16 0.06 0.00 0.51 0.00 0.00 43.02 42.28 1iye s PHE 208 CO 0.10 0.08 0.62 -0.08 0.70 0.00 0.00 175.22 176.64 1iye s THR 209 N -0.77 0.00 0.66 0.64 -1.32 -1.01 -0.22 115.64 113.62 1iye s THR 209 Ca 0.08 -0.03 -0.16 0.00 -1.21 0.00 0.00 61.69 60.37 1iye s THR 209 Cb -0.09 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1iye s THR 209 CO 0.02 -0.02 1.15 -2.84 -2.21 0.00 0.00 174.62 170.71 1iye s PRO 210 N -0.15 2.70 0.81 7.08 0.02 -1.25 -1.70 135.00 142.51 1iye s PRO 210 Ca -0.04 1.56 -0.11 0.00 0.02 0.00 0.00 61.00 62.43 1iye s PRO 210 Cb -0.03 -1.92 0.09 0.00 0.02 0.00 0.00 34.50 32.65 1iye s PRO 210 CO 0.03 -1.36 1.17 -1.25 -0.33 0.00 0.00 177.00 175.26 1iye s PRO 211 N -3.87 1.84 0.44 5.54 0.04 -1.26 -4.77 135.00 132.96 1iye s PRO 211 Ca 0.71 -0.02 0.14 0.00 0.04 0.00 0.00 61.00 61.86 1iye s PRO 211 Cb -0.24 -1.98 0.98 0.00 0.04 0.00 0.00 34.50 33.30 1iye s PRO 211 CO 0.40 -1.64 1.99 0.74 0.04 0.00 0.00 177.00 178.53 1iye h PHE 212 N -1.05 0.02 0.00 0.56 0.04 -1.94 -1.74 116.94 112.84 1iye h PHE 212 Ca -0.45 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1iye h PHE 212 Cb 1.32 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.46 1iye h PHE 212 CO 0.14 0.20 0.00 0.25 -0.60 0.00 0.00 178.31 178.30 1iye n THR 213 N -4.32 0.02 -1.12 -1.55 -2.24 -1.26 -1.22 114.28 102.59 1iye n THR 213 Ca -0.02 0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1iye n THR 213 Cb 0.24 -0.78 0.26 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.01 4.43 -1.48 3.42 7.64 -0.65 -4.88 113.62 121.09 1iye n SER 214 Ca 0.11 -3.37 -0.15 0.00 1.01 0.00 0.00 58.87 56.47 1iye n SER 214 Cb 0.05 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.51 -4.64 -4.88 6.43 2.88 -0.36 -4.34 113.62 108.21 1iye n SER 215 Ca 0.47 0.14 -0.36 0.00 -1.33 0.00 0.00 58.87 57.79 1iye n SER 215 Cb 1.48 -3.65 -0.06 0.00 -0.75 0.00 0.00 64.21 61.24 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 -2.67 3.89 0.32 -1.46 0.00 -1.06 -4.81 121.76 115.98 1iye s ALA 216 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 1iye s ALA 216 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1iye s ALA 216 CO 0.00 0.64 1.31 -1.17 0.00 0.00 0.00 175.76 176.54 1iye s LEU 217 N -1.24 4.43 -1.06 0.00 2.96 -1.26 -4.50 118.68 118.01 1iye s LEU 217 Ca 0.18 2.67 -0.20 0.00 -0.22 0.00 0.00 54.13 56.57 1iye s LEU 217 Cb -0.12 -3.65 -0.08 0.00 0.50 0.00 0.00 46.19 42.84 1iye s LEU 217 CO 0.08 -0.54 1.97 -2.65 -1.32 0.00 0.00 176.35 173.88 1iye n PRO 218 N 0.94 2.00 -1.68 0.98 -0.02 -1.26 -4.91 135.00 131.05 1iye n PRO 218 Ca 0.01 -2.31 -0.43 0.00 -2.02 0.00 0.00 63.50 58.75 1iye n PRO 218 Cb 0.42 -3.24 -0.01 0.00 -0.02 0.00 0.00 33.50 30.65 1iye n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iye n GLY 219 N 4.82 0.41 0.09 -1.23 0.00 -1.26 -4.91 105.19 103.11 1iye n GLY 219 Ca 0.49 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.79 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 2.40 1.22 -0.13 -0.61 2.04 -1.98 -1.73 117.51 118.71 1iye h ILE 220 Ca -0.45 -2.80 -0.13 0.00 1.00 0.00 0.00 64.86 62.48 1iye h ILE 220 Cb 1.30 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1iye h ILE 220 CO 0.62 0.70 -0.43 0.74 0.00 0.00 0.00 178.15 179.77 1iye h THR 221 N 0.00 1.36 -0.24 -0.27 2.02 -1.91 -1.87 112.91 112.00 1iye h THR 221 Ca -0.05 -1.73 0.06 0.00 0.77 0.00 0.00 66.41 65.46 1iye h THR 221 Cb 1.64 2.08 -0.07 0.00 -1.74 0.00 0.00 68.15 70.07 1iye h THR 221 CO 0.09 0.52 -0.20 -0.09 0.37 0.00 0.00 175.52 176.21 1iye h ARG 222 N 0.15 -0.19 -0.87 6.66 2.43 -1.88 0.12 114.38 120.79 1iye h ARG 222 Ca -0.02 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1iye h ARG 222 Cb 1.06 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 1iye h ARG 222 CO 0.09 -0.13 0.57 0.22 -1.51 0.00 0.00 179.97 179.21 1iye h ASP 223 N -0.20 1.00 -0.64 -3.80 3.58 -1.29 -1.28 116.42 113.80 1iye h ASP 223 Ca 0.14 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1iye h ASP 223 Cb 0.41 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1iye h ASP 223 CO -0.36 0.74 0.26 0.00 -2.88 0.00 0.00 179.24 177.00 1iye h ALA 224 N 1.31 0.83 -0.60 -0.78 0.00 -0.47 -2.14 119.26 117.41 1iye h ALA 224 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1iye h ALA 224 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1iye h ALA 224 CO -0.07 0.44 0.30 0.82 0.00 0.00 0.00 179.25 180.75 1iye h ILE 225 N 0.90 1.20 -0.71 0.00 2.04 -0.22 0.12 117.51 120.85 1iye h ILE 225 Ca 0.21 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1iye h ILE 225 Cb 0.19 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1iye h ILE 225 CO -0.02 0.23 0.39 0.40 0.00 0.00 0.00 178.15 179.15 1iye h ILE 226 N 0.81 1.21 -0.11 -0.67 2.04 -1.03 0.14 117.51 119.90 1iye h ILE 226 Ca 0.21 -0.52 -0.24 0.00 1.00 0.00 0.00 64.86 65.31 1iye h ILE 226 Cb 0.09 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1iye h ILE 226 CO -0.03 0.23 -0.85 0.11 0.00 0.00 0.00 178.15 177.61 1iye h LYS 227 N 0.98 0.78 -0.56 2.37 1.57 -0.77 -2.56 116.57 118.38 1iye h LYS 227 Ca 0.25 -0.68 -0.06 0.00 -1.87 0.00 0.00 60.65 58.29 1iye h LYS 227 Cb 0.02 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1iye h LYS 227 CO -0.04 1.28 0.13 -0.07 -0.57 0.00 0.00 179.45 180.18 1iye h LEU 228 N 0.51 0.85 -0.75 2.94 3.38 -0.47 -1.98 115.31 119.79 1iye h LEU 228 Ca -0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1iye h LEU 228 Cb 1.49 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1iye h LEU 228 CO 0.17 0.87 0.49 0.00 0.09 0.00 0.00 178.44 180.06 1iye h ALA 229 N 1.01 0.97 -0.09 1.53 0.00 -0.73 0.58 119.26 122.53 1iye h ALA 229 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1iye h ALA 229 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1iye h ALA 229 CO 0.00 0.32 -0.33 0.87 0.00 0.00 0.00 179.25 180.11 1iye h LYS 230 N 0.97 0.18 -0.20 0.00 1.57 -1.23 0.17 116.57 118.04 1iye h LYS 230 Ca 0.29 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1iye h LYS 230 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1iye h LYS 230 CO -0.09 0.50 -0.36 0.93 -0.57 0.00 0.00 179.45 179.87 1iye h GLU 231 N 0.16 0.42 -0.04 3.15 4.39 -0.46 -2.57 114.58 119.63 1iye h GLU 231 Ca 0.02 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1iye h GLU 231 Cb 0.67 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1iye h GLU 231 CO 0.05 0.73 0.00 1.28 -1.16 0.00 0.00 179.01 179.91 1iye n LEU 232 N -4.06 0.57 -0.31 1.33 4.77 0.08 -4.89 117.00 114.49 1iye n LEU 232 Ca -0.01 -0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 55.71 1iye n LEU 232 Cb 0.47 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1iye n LEU 232 CO 0.43 0.11 -0.04 0.61 -1.33 0.00 0.00 177.39 177.17 1iye n GLY 233 N 0.96 0.63 3.68 -0.72 0.00 -0.74 -5.02 105.19 103.98 1iye n GLY 233 Ca 0.17 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.15 5.27 0.37 -0.61 1.01 0.53 -5.01 121.20 120.61 1iye s ILE 234 Ca 0.00 0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.89 1iye s ILE 234 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1iye s ILE 234 CO 0.00 0.31 1.27 -0.70 0.00 0.00 0.00 174.94 175.82 1iye s GLU 235 N 1.08 4.19 -0.07 2.79 2.12 -1.26 -4.01 118.70 123.53 1iye s GLU 235 Ca 0.15 2.12 0.03 0.00 0.36 0.00 0.00 54.97 57.63 1iye s GLU 235 Cb -0.14 -2.91 0.01 0.00 0.26 0.00 0.00 34.13 31.35 1iye s GLU 235 CO 0.06 -0.30 -0.16 0.08 -0.54 0.00 0.00 175.26 174.41 1iye s VAL 236 N -1.22 1.38 -0.18 3.70 1.01 -1.26 -0.96 120.40 122.87 1iye s VAL 236 Ca 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1iye s VAL 236 Cb -0.37 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 34.82 1iye s VAL 236 CO 0.49 0.41 -0.09 -0.13 0.00 0.00 0.00 175.10 175.78 1iye s ARG 237 N 0.44 1.84 -0.49 2.72 0.52 0.44 -4.98 118.95 119.44 1iye s ARG 237 Ca -0.13 -0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 54.21 1iye s ARG 237 Cb -0.15 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.16 1iye s ARG 237 CO 0.04 -0.40 0.62 -1.21 0.02 0.00 0.00 175.30 174.38 1iye s GLU 238 N 1.50 3.15 0.12 3.54 2.02 -1.26 -2.41 118.70 125.36 1iye s GLU 238 Ca 0.00 -0.80 -0.17 0.00 0.02 0.00 0.00 54.97 54.03 1iye s GLU 238 Cb -0.15 -4.07 0.04 0.00 0.10 0.00 0.00 34.13 30.05 1iye s GLU 238 CO -0.08 -1.18 0.42 1.14 0.02 0.00 0.00 175.26 175.58 1iye s GLN 239 N 2.66 1.07 0.46 1.61 -2.07 -0.69 -4.78 119.66 117.93 1iye s GLN 239 Ca 0.16 -0.67 -0.25 0.00 -1.82 0.00 0.00 55.36 52.79 1iye s GLN 239 Cb -0.18 0.47 -0.08 0.00 -1.09 0.00 0.00 33.01 32.14 1iye s GLN 239 CO 0.13 -0.42 1.39 0.08 -1.32 0.00 0.00 175.29 175.15 1iye s VAL 240 N -3.71 2.19 -0.02 3.63 1.01 -1.26 -3.75 120.40 118.49 1iye s VAL 240 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1iye s VAL 240 Cb 0.01 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1iye s VAL 240 CO -0.11 0.02 -0.15 -0.76 0.00 0.00 0.00 175.10 174.09 1iye s LEU 241 N -2.79 1.98 0.70 3.92 1.43 -1.26 -5.01 118.68 117.65 1iye s LEU 241 Ca 0.62 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1iye s LEU 241 Cb -0.42 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.01 1iye s LEU 241 CO 0.53 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 177.41 1iye s SER 242 N -0.21 5.13 0.19 2.29 1.04 -1.26 -1.11 113.70 119.77 1iye s SER 242 Ca 0.03 1.74 -0.11 0.00 0.48 0.00 0.00 55.95 58.09 1iye s SER 242 Cb -0.08 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.64 1iye s SER 242 CO 0.00 -1.61 1.78 -0.09 0.98 0.00 0.00 173.24 174.30 1iye h ARG 243 N -0.63 0.97 0.00 4.02 1.12 -1.92 -2.68 114.38 115.26 1iye h ARG 243 Ca -0.44 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.29 1iye h ARG 243 Cb 1.22 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.00 1iye h ARG 243 CO 0.55 0.76 0.00 -0.85 -3.11 0.00 0.00 179.97 177.32 1iye n GLU 244 N -4.47 0.22 0.31 0.20 0.00 -1.26 -2.73 120.64 112.90 1iye n GLU 244 Ca 0.05 0.38 0.19 0.00 0.00 0.00 0.00 57.16 57.79 1iye n GLU 244 Cb 0.12 -1.87 1.05 0.00 0.00 0.00 0.00 31.44 30.74 1iye n GLU 244 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1iye h SER 245 N 0.00 0.00 0.15 -1.84 4.64 -1.85 0.43 113.55 115.09 1iye h SER 245 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1iye h SER 245 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1iye h SER 245 CO 0.00 0.00 -0.23 -0.07 -0.87 0.00 0.00 176.83 175.66 1iye h LEU 246 N 0.00 0.14 0.00 5.97 3.38 -1.69 -1.10 115.31 122.01 1iye h LEU 246 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iye h LEU 246 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1iye h LEU 246 CO -0.00 0.38 -0.49 1.88 0.09 0.00 0.00 178.44 180.30 1iye h TYR 247 N 0.14 0.00 0.00 1.13 0.99 -1.14 -3.34 116.97 114.75 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 0.49 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.22 1iye h TYR 247 CO 0.00 0.00 -1.26 1.28 -0.00 0.00 0.00 178.16 178.19 1iye n LEU 248 N -2.88 0.59 -4.75 3.88 4.77 -1.05 -4.98 117.00 112.57 1iye n LEU 248 Ca 0.02 -0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 1iye n LEU 248 Cb 0.54 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1iye n LEU 248 CO 0.37 0.15 0.85 0.00 -1.33 0.00 0.00 177.39 177.43 1iye s ALA 249 N -3.02 2.53 0.18 -1.18 0.00 -0.44 -4.93 121.76 114.91 1iye s ALA 249 Ca 0.02 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1iye s ALA 249 Cb 0.14 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1iye s ALA 249 CO 0.80 -1.22 1.41 -0.44 0.00 0.00 0.00 175.76 176.32 1iye h ASP 250 N 0.87 0.30 -5.11 0.00 3.32 -0.80 -3.40 116.42 111.61 1iye h ASP 250 Ca -0.51 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.20 1iye h ASP 250 Cb 1.30 -0.09 -0.17 0.00 0.22 0.00 0.00 39.33 40.59 1iye h ASP 250 CO 0.55 0.99 -0.49 -1.61 -1.72 0.00 0.00 179.24 176.96 1iye s GLU 251 N -3.36 0.64 -0.06 3.56 2.02 -0.80 -3.68 118.70 117.02 1iye s GLU 251 Ca -0.04 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.11 1iye s GLU 251 Cb 0.10 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.61 1iye s GLU 251 CO 0.83 -0.17 0.16 0.08 0.02 0.00 0.00 175.26 176.18 1iye s VAL 252 N -2.88 -0.02 0.09 2.63 1.01 -1.26 -1.07 120.40 118.90 1iye s VAL 252 Ca -0.03 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1iye s VAL 252 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1iye s VAL 252 CO -0.06 0.02 0.33 0.72 0.00 0.00 0.00 175.10 176.12 1iye s PHE 253 N 0.46 -0.11 0.16 5.22 -0.71 -0.80 -0.25 117.98 121.95 1iye s PHE 253 Ca -0.03 -0.17 0.08 0.00 -1.04 0.00 0.00 56.93 55.77 1iye s PHE 253 Cb -0.05 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1iye s PHE 253 CO -0.02 -0.61 -0.08 -1.64 -1.34 0.00 0.00 175.22 171.53 1iye s MET 254 N -3.41 2.13 0.09 1.99 -1.94 -0.18 -1.02 119.30 116.95 1iye s MET 254 Ca 0.01 -1.17 0.05 0.00 -1.71 0.00 0.00 55.69 52.87 1iye s MET 254 Cb 0.02 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1iye s MET 254 CO -0.09 0.46 -0.13 -1.54 -0.01 0.00 0.00 175.02 173.71 1iye s SER 255 N -2.66 1.67 0.00 3.03 1.04 -0.40 -1.45 113.70 114.94 1iye s SER 255 Ca 0.24 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1iye s SER 255 Cb -0.10 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1iye s SER 255 CO 0.15 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1iye n GLY 256 N 0.92 1.33 0.19 7.32 0.00 -0.53 -0.56 105.19 113.86 1iye n GLY 256 Ca -0.19 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 0.38 1.21 0.07 2.61 2.02 -1.89 1.59 112.91 118.89 1iye h THR 257 Ca 0.00 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.37 1iye h THR 257 Cb 0.00 0.92 0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1iye h THR 257 CO 0.00 0.23 -0.63 0.00 0.37 0.00 0.00 175.52 175.49 1iye h ALA 258 N 0.98 -0.01 0.00 6.16 0.00 -1.93 -3.32 119.26 121.14 1iye h ALA 258 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1iye h ALA 258 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iye h ALA 258 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1iye n ALA 259 N -2.62 2.26 -0.56 0.00 0.00 -1.20 -3.09 120.51 115.29 1iye n ALA 259 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1iye n ALA 259 Cb 0.72 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.78 0.00 -3.91 0.00 1.02 0.54 -3.64 120.64 112.88 1iye n GLU 260 Ca 0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 1iye n GLU 260 Cb 0.36 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.63 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 1.58 -0.24 -3.67 1.01 -1.26 -1.45 121.20 117.16 1iye s ILE 261 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.05 1iye s ILE 261 Cb 0.00 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1iye s ILE 261 CO 0.00 -0.38 -0.04 -0.89 0.00 0.00 0.00 174.94 173.63 1iye s THR 262 N 1.31 3.16 0.50 2.92 2.01 -0.53 -4.75 115.64 120.26 1iye s THR 262 Ca 0.02 -0.78 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 1iye s THR 262 Cb -0.19 -2.54 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 1iye s THR 262 CO -0.11 0.28 1.29 -2.84 -0.69 0.00 0.00 174.62 172.55 1iye s PRO 263 N 1.40 3.46 -0.34 4.92 0.02 -1.26 -1.01 135.00 142.19 1iye s PRO 263 Ca 0.03 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.09 1iye s PRO 263 Cb -0.16 -2.38 0.06 0.00 0.02 0.00 0.00 34.50 32.04 1iye s PRO 263 CO -0.04 -0.89 0.09 0.08 -0.33 0.00 0.00 177.00 175.92 1iye s VAL 264 N -1.37 3.44 -0.72 3.83 1.01 0.66 -0.44 120.40 126.80 1iye s VAL 264 Ca 0.67 -1.37 0.26 0.00 0.00 0.00 0.00 61.98 61.53 1iye s VAL 264 Cb -0.36 -3.02 0.21 0.00 0.00 0.00 0.00 36.38 33.20 1iye s VAL 264 CO 0.44 -0.24 1.63 -2.11 0.00 0.00 0.00 175.10 174.82 1iye n ARG 265 N 4.72 0.25 -3.48 2.72 1.85 -0.13 -4.25 116.66 118.34 1iye n ARG 265 Ca -0.11 0.16 -0.15 0.00 -1.00 0.00 0.00 57.85 56.75 1iye n ARG 265 Cb 0.44 -1.75 -0.04 0.00 -1.05 0.00 0.00 32.46 30.05 1iye n ARG 265 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1iye s SER 266 N -4.34 -0.62 -0.06 2.89 1.04 -1.23 -0.61 113.70 110.78 1iye s SER 266 Ca 0.09 0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 1iye s SER 266 Cb 0.13 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.84 1iye s SER 266 CO 0.63 -0.77 -0.00 -0.69 0.98 0.00 0.00 173.24 173.40 1iye s VAL 267 N -2.33 0.31 -1.41 5.02 1.01 -0.23 -0.72 120.40 122.06 1iye s VAL 267 Ca -0.06 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1iye s VAL 267 Cb -0.00 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.97 1iye s VAL 267 CO -0.00 0.22 0.59 0.47 0.00 0.00 0.00 175.10 176.38 1iye n ASP 268 N 4.78 -4.84 0.00 3.32 8.00 -0.11 -0.86 116.55 126.84 1iye n ASP 268 Ca -0.13 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1iye n ASP 268 Cb 0.50 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 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 -1.37 1.82 3.63 0.44 0.00 -1.26 -5.00 105.19 103.44 1iye n GLY 269 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.46 5.10 0.24 -0.61 1.01 -0.04 -5.04 121.20 118.40 1iye s ILE 270 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 1iye s ILE 270 Cb 0.00 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 1iye s ILE 270 CO 0.00 0.13 1.47 -1.58 0.00 0.00 0.00 174.94 174.96 1iye s GLN 271 N 2.02 4.25 -0.20 2.79 0.74 -1.26 -1.06 119.66 126.93 1iye s GLN 271 Ca 0.21 2.33 -0.14 0.00 0.05 0.00 0.00 55.36 57.80 1iye s GLN 271 Cb -0.15 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 1iye s GLN 271 CO 0.09 -0.47 0.31 0.08 -0.55 0.00 0.00 175.29 174.76 1iye s VAL 272 N 0.21 5.26 0.00 1.34 1.01 0.22 -4.90 120.40 123.53 1iye s VAL 272 Ca 0.61 0.54 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1iye s VAL 272 Cb -0.42 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1iye s VAL 272 CO 0.41 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1iye n GLY 273 N 3.89 2.50 0.00 4.51 0.00 -1.24 -0.53 105.19 114.32 1iye n GLY 273 Ca -0.11 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.96 -1.02 1.61 -0.58 -1.26 -4.85 120.64 129.50 1iye n GLU 274 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1iye n GLU 274 Cb 0.00 -1.20 -0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.65 0.46 3.28 0.62 0.00 0.31 -5.02 105.19 105.50 1iye n GLY 275 Ca 0.09 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 1iye n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iye s ARG 276 N -1.67 1.55 0.14 1.61 1.81 -1.26 -4.82 118.95 116.31 1iye s ARG 276 Ca 0.00 -1.88 -0.35 0.00 -1.72 0.00 0.00 55.73 51.79 1iye s ARG 276 Cb 0.00 0.18 -0.15 0.00 -0.45 0.00 0.00 34.95 34.53 1iye s ARG 276 CO 0.00 -0.52 1.37 0.00 -0.68 0.00 0.00 175.30 175.47 1iye s GLY 278 N 0.46 1.71 0.18 0.00 0.00 -1.26 -4.90 107.32 103.51 1iye s GLY 278 Ca 0.79 -0.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 1iye s GLY 278 CO 0.46 0.24 1.82 -0.56 0.00 0.00 0.00 173.10 175.05 1iye h PRO 279 N -0.23 0.62 -0.28 2.90 0.13 -1.95 -0.72 132.00 132.46 1iye h PRO 279 Ca -0.44 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1iye h PRO 279 Cb 1.19 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1iye h PRO 279 CO 0.61 0.41 -0.40 0.28 -0.23 0.00 0.00 178.00 178.67 1iye h VAL 280 N 0.63 1.29 -0.81 1.56 2.07 -2.00 -1.73 116.25 117.27 1iye h VAL 280 Ca 0.22 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1iye h VAL 280 Cb 0.02 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1iye h VAL 280 CO -0.10 0.50 0.46 0.74 0.02 0.00 0.00 177.57 179.20 1iye h THR 281 N 0.55 1.24 -0.62 2.57 2.02 -1.88 -1.70 112.91 115.09 1iye h THR 281 Ca 0.05 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1iye h THR 281 Cb 0.93 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1iye h THR 281 CO 0.08 0.26 0.14 0.50 0.37 0.00 0.00 175.52 176.87 1iye h LYS 282 N 1.12 1.00 -0.56 6.66 3.64 -0.87 0.78 116.57 128.34 1iye h LYS 282 Ca 0.29 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1iye h LYS 282 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1iye h LYS 282 CO -0.05 0.91 0.35 0.00 -2.27 0.00 0.00 179.45 178.39 1iye h ARG 283 N 0.91 0.75 -0.37 1.90 3.08 -0.83 -0.36 114.38 119.46 1iye h ARG 283 Ca 0.19 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 1iye h ARG 283 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1iye h ARG 283 CO 0.00 0.53 -0.22 0.82 -1.07 0.00 0.00 179.97 180.03 1iye h ILE 284 N 0.75 1.28 -0.34 2.04 2.04 -1.12 -0.92 117.51 121.25 1iye h ILE 284 Ca 0.20 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1iye h ILE 284 Cb -0.04 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1iye h ILE 284 CO -0.04 0.45 0.20 -0.61 0.00 0.00 0.00 178.15 178.15 1iye h GLN 285 N 0.60 0.46 -0.64 2.37 4.15 -0.62 0.86 115.11 122.30 1iye h GLN 285 Ca 0.08 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1iye h GLN 285 Cb 0.78 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1iye h GLN 285 CO 0.06 0.36 0.05 1.96 -1.93 0.00 0.00 178.83 179.34 1iye h GLN 286 N 0.43 1.10 -0.28 1.69 4.20 -1.01 -1.23 115.11 120.00 1iye h GLN 286 Ca 0.12 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 1iye h GLN 286 Cb 0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1iye h GLN 286 CO -0.02 1.04 -0.04 0.00 -0.67 0.00 0.00 178.83 179.13 1iye h ALA 287 N 1.02 1.40 0.50 3.87 0.00 -0.82 -0.15 119.26 125.08 1iye h ALA 287 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1iye h ALA 287 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1iye h ALA 287 CO 0.02 0.42 -0.24 0.35 0.00 0.00 0.00 179.25 179.80 1iye h PHE 288 N 0.43 -0.63 0.00 0.00 3.57 -0.32 -3.18 116.94 116.81 1iye h PHE 288 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1iye h PHE 288 Cb 0.35 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1iye h PHE 288 CO 0.01 -0.38 0.00 1.19 -2.23 0.00 0.00 178.31 176.90 1iye n PHE 289 N -5.23 0.67 0.40 0.41 3.72 -0.51 -1.27 117.46 115.65 1iye n PHE 289 Ca -0.09 0.30 0.13 0.00 -0.05 0.00 0.00 57.45 57.75 1iye n PHE 289 Cb 0.27 -0.98 0.46 0.00 -0.94 0.00 0.00 39.48 38.29 1iye n PHE 289 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1iye h GLY 290 N 1.26 0.00 2.00 1.37 0.00 -0.99 -2.69 103.07 104.01 1iye h GLY 290 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1iye h GLY 290 CO 0.00 0.00 -0.20 1.41 0.00 0.00 0.00 176.54 177.75 1iye h LEU 291 N 0.00 0.00 -2.61 3.11 3.38 -1.22 -0.77 115.31 117.20 1iye h LEU 291 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iye h LEU 291 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1iye h LEU 291 CO 0.00 0.20 0.00 0.49 0.09 0.00 0.00 178.44 179.22 1iye n PHE 292 N -3.91 0.87 0.00 1.13 3.01 -1.02 -4.00 117.46 113.55 1iye n PHE 292 Ca -0.02 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1iye n PHE 292 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 1.61 0.00 -0.01 4.37 -2.24 -1.05 -2.49 114.28 114.48 1iye n THR 293 Ca 0.23 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1iye n THR 293 Cb 0.62 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.92 0.63 0.28 3.38 0.00 -0.80 -4.76 105.19 104.85 1iye n GLY 294 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.61 0.60 -4.74 1.61 5.08 -1.70 -3.39 114.58 115.65 1iye h GLU 295 Ca 0.00 -0.12 -0.68 0.00 -1.00 0.00 0.00 59.36 57.56 1iye h GLU 295 Cb 0.00 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 28.90 1iye h GLU 295 CO 0.00 0.58 -0.58 0.99 -1.00 0.00 0.00 179.01 179.00 1iye s THR 296 N -5.07 4.21 0.15 1.13 2.01 -0.36 -4.98 115.64 112.73 1iye s THR 296 Ca -0.08 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 60.89 1iye s THR 296 Cb 0.16 -3.23 -0.11 0.00 0.01 0.00 0.00 72.50 69.33 1iye s THR 296 CO 0.77 -0.02 1.81 -0.70 -0.69 0.00 0.00 174.62 175.79 1iye s GLU 297 N 1.53 4.13 -1.22 4.92 2.12 -1.26 -4.30 118.70 124.61 1iye s GLU 297 Ca 0.02 2.61 -0.20 0.00 0.36 0.00 0.00 54.97 57.77 1iye s GLU 297 Cb -0.18 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.81 1iye s GLU 297 CO 0.04 -0.82 1.71 0.34 -0.54 0.00 0.00 175.26 175.99 1iye s ASP 298 N 2.28 6.50 0.36 -1.70 2.15 -1.26 -4.74 116.67 120.25 1iye s ASP 298 Ca 0.79 -2.09 0.25 0.00 0.43 0.00 0.00 52.55 51.93 1iye s ASP 298 Cb -0.47 -2.58 0.63 0.00 -0.30 0.00 0.00 42.92 40.20 1iye s ASP 298 CO 0.35 -1.52 1.71 0.11 -0.17 0.00 0.00 175.17 175.65 1iye h LYS 299 N 8.41 0.00 -0.01 4.34 1.57 -2.03 -3.28 116.57 125.56 1iye h LYS 299 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1iye h LYS 299 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1iye h LYS 299 CO 1.42 0.00 -0.53 0.91 -0.57 0.00 0.00 179.45 180.68 1iye n TRP 300 N -2.76 0.00 -2.21 -1.35 8.01 -1.26 -5.01 117.44 112.87 1iye n TRP 300 Ca 0.04 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.19 1iye n TRP 300 Cb 0.46 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.78 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 1.31 -0.15 0.14 6.99 0.00 -1.24 -4.99 105.19 107.26 1iye n GLY 301 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.98 0.00 -3.52 1.61 8.01 -1.26 -4.86 117.44 115.44 1iye n TRP 302 Ca -0.02 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.75 1iye n TRP 302 Cb 0.54 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.75 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 -2.60 5.63 -0.33 -0.99 1.43 -1.26 0.17 118.68 120.73 1iye s LEU 303 Ca 0.10 -1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 51.21 1iye s LEU 303 Cb 0.14 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1iye s LEU 303 CO 0.63 -0.68 0.72 -0.62 0.23 0.00 0.00 176.35 176.63 1iye s ASP 304 N 2.66 6.55 0.15 2.29 2.15 -0.65 -4.87 116.67 124.95 1iye s ASP 304 Ca 0.05 0.43 -0.32 0.00 0.43 0.00 0.00 52.55 53.14 1iye s ASP 304 Cb -0.26 -2.37 -0.11 0.00 -0.30 0.00 0.00 42.92 39.88 1iye s ASP 304 CO 0.01 -0.60 1.80 0.00 -0.17 0.00 0.00 175.17 176.21 1iye n GLN 305 N 6.14 2.77 -0.04 4.34 1.13 -1.26 -0.48 117.38 129.98 1iye n GLN 305 Ca 0.01 1.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.94 1iye n GLN 305 Cb 0.48 -2.88 -0.11 0.00 0.11 0.00 0.00 30.24 27.84 1iye n GLN 305 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1iye h VAL 306 N 4.40 1.56 0.00 5.09 2.07 -1.67 -3.47 116.25 124.23 1iye h VAL 306 Ca -0.45 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1iye h VAL 306 Cb 1.22 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1iye h VAL 306 CO 0.95 0.44 0.00 0.59 0.02 0.00 0.00 177.57 179.57