#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3s s GLN 13 N 0.00 3.51 -0.18 -1.46 0.74 -1.26 -4.53 119.66 116.49 1i3s s GLN 13 Ca 0.00 0.30 -0.05 0.00 0.05 0.00 0.00 55.36 55.66 1i3s s GLN 13 Cb 0.00 -2.31 -0.03 0.00 1.10 0.00 0.00 33.01 31.77 1i3s s GLN 13 CO 0.00 -0.31 0.00 0.99 -0.55 0.00 0.00 175.29 175.42 1i3s s THR 14 N -2.85 4.14 -0.14 -0.34 2.01 -0.45 -4.09 115.64 113.92 1i3s s THR 14 Ca 0.49 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 1i3s s THR 14 Cb -0.10 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1i3s s THR 14 CO 0.47 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.10 1i3s s ILE 15 N 0.57 2.91 -0.06 1.82 1.09 0.08 -1.42 121.20 126.19 1i3s s ILE 15 Ca -0.01 -0.70 0.03 0.00 -1.10 0.00 0.00 60.65 58.88 1i3s s ILE 15 Cb -0.14 -2.23 0.01 0.00 -1.06 0.00 0.00 42.46 39.04 1i3s s ILE 15 CO 0.02 0.51 -0.16 -0.63 -0.10 0.00 0.00 174.94 174.59 1i3s s ILE 16 N 0.59 1.40 -0.09 2.92 1.01 -0.77 -0.45 121.20 125.81 1i3s s ILE 16 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1i3s s ILE 16 Cb -0.16 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.10 1i3s s ILE 16 CO 0.03 0.41 -0.07 -0.60 0.00 0.00 0.00 174.94 174.71 1i3s s ARG 17 N 0.40 1.34 -0.17 2.79 3.52 -0.57 -0.73 118.95 125.53 1i3s s ARG 17 Ca -0.12 -0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1i3s s ARG 17 Cb -0.15 -1.36 0.04 0.00 -1.56 0.00 0.00 34.95 31.93 1i3s s ARG 17 CO 0.04 -0.18 -0.07 0.34 -0.81 0.00 0.00 175.30 174.63 1i3s s ASP 18 N 1.39 2.87 0.06 -2.12 2.15 0.11 0.13 116.67 121.26 1i3s s ASP 18 Ca -0.02 -0.67 0.05 0.00 0.43 0.00 0.00 52.55 52.34 1i3s s ASP 18 Cb -0.13 -0.97 -0.03 0.00 -0.30 0.00 0.00 42.92 41.49 1i3s s ASP 18 CO -0.04 -0.17 -0.14 0.00 -0.17 0.00 0.00 175.17 174.65 1i3s s GLN 20 N -1.50 4.37 -0.00 0.00 2.00 -1.26 0.09 119.66 123.36 1i3s s GLN 20 Ca -0.01 1.43 0.18 0.00 -2.00 0.00 0.00 55.36 54.97 1i3s s GLN 20 Cb -0.09 -3.57 -0.21 0.00 0.80 0.00 0.00 33.01 29.93 1i3s s GLN 20 CO 0.02 -0.42 0.73 1.33 -0.50 0.00 0.00 175.29 176.45 1i3s n VAL 21 N 4.76 0.00 0.00 1.34 0.24 0.11 -4.93 118.33 119.85 1i3s n VAL 21 Ca 0.10 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1i3s n VAL 21 Cb 0.48 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1i3s n VAL 21 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i3s n ASP 22 N -1.53 0.00 -0.33 -1.34 3.85 -0.97 -4.96 116.55 111.28 1i3s n ASP 22 Ca 0.03 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.27 1i3s n ASP 22 Cb 0.31 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.41 1i3s n ASP 22 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1i3s h LYS 23 N 0.00 0.03 -0.00 0.11 -0.00 -2.02 -2.16 116.57 112.52 1i3s h LYS 23 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1i3s h LYS 23 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.22 1i3s h LYS 23 CO 0.00 0.02 -0.60 1.04 -0.00 0.00 0.00 179.45 179.91 1i3s n GLN 24 N -5.43 1.76 -4.74 0.07 1.13 -1.26 -5.01 117.38 103.89 1i3s n GLN 24 Ca 0.25 -0.28 -0.28 0.00 -1.94 0.00 0.00 57.00 54.74 1i3s n GLN 24 Cb 0.82 -1.26 -0.14 0.00 0.11 0.00 0.00 30.24 29.77 1i3s n GLN 24 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1i3s s THR 25 N -2.29 1.96 0.15 5.09 2.01 -0.81 -3.99 115.64 117.76 1i3s s THR 25 Ca 0.09 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.79 1i3s s THR 25 Cb 0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1i3s s THR 25 CO 0.57 0.27 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.51 1i3s s ARG 26 N -1.31 1.12 -0.11 4.92 0.52 0.10 0.08 118.95 124.27 1i3s s ARG 26 Ca 0.10 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1i3s s ARG 26 Cb -0.10 -0.88 0.02 0.00 0.52 0.00 0.00 34.95 34.52 1i3s s ARG 26 CO 0.02 0.15 -0.10 -2.00 0.02 0.00 0.00 175.30 173.39 1i3s s GLU 27 N -3.28 1.79 -0.20 3.54 2.12 0.11 -0.40 118.70 122.38 1i3s s GLU 27 Ca 0.15 -0.37 -0.07 0.00 0.36 0.00 0.00 54.97 55.04 1i3s s GLU 27 Cb -0.01 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 1i3s s GLU 27 CO 0.03 -0.20 0.05 -1.17 -0.54 0.00 0.00 175.26 173.43 1i3s s LEU 28 N 1.43 3.58 -0.20 2.70 2.96 0.25 -1.68 118.68 127.73 1i3s s LEU 28 Ca 0.01 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1i3s s LEU 28 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1i3s s LEU 28 CO -0.06 0.10 0.02 -0.69 -1.32 0.00 0.00 176.35 174.40 1i3s s VAL 29 N 0.79 4.17 -0.17 1.68 1.01 0.12 0.47 120.40 128.47 1i3s s VAL 29 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1i3s s VAL 29 Cb -0.14 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1i3s s VAL 29 CO 0.02 0.43 -0.10 -0.47 0.00 0.00 0.00 175.10 174.99 1i3s s TYR 30 N 0.84 2.04 -0.24 5.22 5.04 -0.37 -1.51 117.35 128.36 1i3s s TYR 30 Ca 0.01 -1.25 -0.01 0.00 -2.44 0.00 0.00 57.07 53.38 1i3s s TYR 30 Cb -0.14 -1.49 0.03 0.00 0.35 0.00 0.00 41.96 40.71 1i3s s TYR 30 CO 0.02 -0.66 -0.08 0.42 -1.34 0.00 0.00 175.55 173.91 1i3s s ILE 31 N 1.52 2.74 0.32 3.14 1.01 0.40 -3.03 121.20 127.30 1i3s s ILE 31 Ca 0.02 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 59.67 1i3s s ILE 31 Cb -0.15 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1i3s s ILE 31 CO -0.09 0.21 0.30 0.21 0.00 0.00 0.00 174.94 175.57 1i3s s ASN 32 N 1.30 5.44 0.03 3.58 2.47 -1.26 -0.74 114.94 125.76 1i3s s ASN 32 Ca -0.00 -0.40 -0.25 0.00 0.42 0.00 0.00 52.86 52.63 1i3s s ASN 32 Cb -0.17 -1.10 -0.18 0.00 -1.45 0.00 0.00 41.25 38.35 1i3s s ASN 32 CO -0.05 -0.30 1.44 0.07 -3.72 0.00 0.00 177.10 174.53 1i3s h LYS 33 N 1.24 -0.10 -0.05 0.43 2.10 -1.80 -3.30 116.57 115.09 1i3s h LYS 33 Ca -0.46 0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.21 1i3s h LYS 33 Cb 1.25 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1i3s h LYS 33 CO 0.58 0.18 -0.07 0.82 -2.00 0.00 0.00 179.45 178.96 1i3s h ILE 34 N -0.38 0.00 -0.30 0.07 2.04 -1.95 -2.25 117.51 114.73 1i3s h ILE 34 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1i3s h ILE 34 Cb 0.33 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1i3s h ILE 34 CO 0.02 0.00 0.26 0.23 0.00 0.00 0.00 178.15 178.66 1i3s n MET 35 N -3.04 0.00 -2.55 2.37 2.81 -1.24 -0.17 117.12 115.29 1i3s n MET 35 Ca -0.00 0.20 -0.29 0.00 -1.81 0.00 0.00 57.70 55.80 1i3s n MET 35 Cb 0.04 -0.48 -0.01 0.00 -0.71 0.00 0.00 33.22 32.06 1i3s n MET 35 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i3s n ASN 36 N -2.05 5.11 -4.27 7.83 2.85 -0.85 -4.52 115.26 119.36 1i3s n ASN 36 Ca 0.07 -3.72 -0.15 0.00 -0.11 0.00 0.00 54.58 50.67 1i3s n ASN 36 Cb 0.35 -0.59 -0.10 0.00 1.24 0.00 0.00 39.78 40.67 1i3s n ASN 36 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1i3s s THR 37 N -5.14 0.99 -0.85 -0.44 2.01 0.75 -5.07 115.64 107.90 1i3s s THR 37 Ca 0.48 -2.03 -0.25 0.00 0.31 0.00 0.00 61.69 60.20 1i3s s THR 37 Cb 0.36 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.84 1i3s s THR 37 CO -0.20 -0.55 1.36 -0.04 -0.69 0.00 0.00 174.62 174.50 1i3s s MET 38 N -3.83 3.34 0.00 4.92 -1.94 -1.26 -4.64 119.30 115.89 1i3s s MET 38 Ca 0.22 -0.58 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 1i3s s MET 38 Cb 0.05 -4.66 -0.05 0.00 2.01 0.00 0.00 34.83 32.17 1i3s s MET 38 CO 0.04 -2.19 1.35 -0.51 -0.01 0.00 0.00 175.02 173.70 1i3s s LEU 39 N 5.50 4.32 0.09 -0.03 1.43 -1.26 -4.87 118.68 123.85 1i3s s LEU 39 Ca 0.40 2.07 0.22 0.00 -1.03 0.00 0.00 54.13 55.79 1i3s s LEU 39 Cb -0.05 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 1i3s s LEU 39 CO 0.05 -0.68 0.81 0.41 0.23 0.00 0.00 176.35 177.18 1i3s n THR 40 N 4.56 0.32 -3.88 5.49 -1.04 -1.26 -4.52 114.28 113.96 1i3s n THR 40 Ca 0.12 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.56 1i3s n THR 40 Cb 0.44 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.79 1i3s n THR 40 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1i3s s LYS 41 N -3.41 1.78 0.16 -2.82 -2.85 -1.26 -4.94 119.74 106.41 1i3s s LYS 41 Ca -0.03 -1.04 -0.33 0.00 -1.00 0.00 0.00 55.97 53.56 1i3s s LYS 41 Cb 0.12 0.59 -0.13 0.00 -2.06 0.00 0.00 37.83 36.35 1i3s s LYS 41 CO 0.84 -0.81 1.63 -2.30 0.10 0.00 0.00 175.35 174.81 1i3s n PRO 42 N -0.45 2.32 -4.60 1.78 -0.02 -1.26 -4.62 135.00 128.14 1i3s n PRO 42 Ca -0.04 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 1i3s n PRO 42 Cb 0.59 -2.63 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 1i3s n PRO 42 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i3s s VAL 43 N 1.12 3.72 -0.11 -1.45 1.01 -0.33 -4.92 120.40 119.45 1i3s s VAL 43 Ca 0.78 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1i3s s VAL 43 Cb -0.63 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1i3s s VAL 43 CO 0.37 0.58 0.05 -0.22 0.00 0.00 0.00 175.10 175.89 1i3s s LEU 44 N -0.62 3.87 -0.02 3.92 0.20 -1.26 0.42 118.68 125.19 1i3s s LEU 44 Ca 0.09 0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.17 1i3s s LEU 44 Cb -0.12 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1i3s s LEU 44 CO 0.02 0.37 -0.02 -0.04 -0.29 0.00 0.00 176.35 176.39 1i3s s MET 45 N -0.79 0.36 -0.01 1.98 -1.94 0.20 -5.01 119.30 114.10 1i3s s MET 45 Ca 0.13 -0.01 -0.01 0.00 -1.71 0.00 0.00 55.69 54.09 1i3s s MET 45 Cb -0.12 -0.46 0.00 0.00 2.01 0.00 0.00 34.83 36.26 1i3s s MET 45 CO 0.03 -0.06 0.01 -1.64 -0.01 0.00 0.00 175.02 173.35 1i3s s MET 46 N 0.66 0.03 0.19 2.03 -1.94 -1.26 -0.81 119.30 118.20 1i3s s MET 46 Ca -0.07 0.00 -0.20 0.00 -1.71 0.00 0.00 55.69 53.71 1i3s s MET 46 Cb -0.10 0.01 0.04 0.00 2.01 0.00 0.00 34.83 36.79 1i3s s MET 46 CO -0.01 -0.00 0.57 -0.59 -0.01 0.00 0.00 175.02 174.98 1i3s s PHE 47 N -0.04 -0.29 0.45 -0.03 -0.12 -0.93 -4.98 117.98 112.05 1i3s s PHE 47 Ca -0.00 -0.02 -0.05 0.00 -0.05 0.00 0.00 56.93 56.81 1i3s s PHE 47 Cb -0.00 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1i3s s PHE 47 CO -0.00 -0.93 0.74 -0.80 -0.05 0.00 0.00 175.22 174.18 1i3s s ASN 48 N -2.83 6.29 -0.11 1.98 0.01 -1.26 -1.00 114.94 118.02 1i3s s ASN 48 Ca 0.06 0.86 -0.20 0.00 -0.71 0.00 0.00 52.86 52.87 1i3s s ASN 48 Cb -0.02 -2.21 0.05 0.00 0.41 0.00 0.00 41.25 39.48 1i3s s ASN 48 CO -0.06 -0.51 0.49 -0.51 -1.51 0.00 0.00 177.10 175.00 1i3s s ILE 49 N -2.63 0.02 -1.65 0.60 2.07 -0.97 -4.61 121.20 114.03 1i3s s ILE 49 Ca 0.46 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 1i3s s ILE 49 Cb -0.10 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.75 1i3s s ILE 49 CO 0.42 -0.07 0.82 -1.54 -1.91 0.00 0.00 174.94 172.66 1i3s n SER 50 N 2.01 0.35 -3.61 4.50 3.41 -1.26 -2.96 113.62 116.06 1i3s n SER 50 Ca -0.17 -1.99 -0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1i3s n SER 50 Cb 0.56 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1i3s n SER 50 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i3s s GLY 51 N -0.66 -0.37 0.30 5.00 0.00 -1.26 0.77 107.32 111.10 1i3s s GLY 51 Ca 0.00 1.08 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 1i3s s GLY 51 CO 0.00 0.29 1.15 2.56 0.00 0.00 0.00 173.10 177.09 1i3s s PRO 52 N -2.35 4.56 0.33 2.90 0.04 -1.22 -4.64 135.00 134.61 1i3s s PRO 52 Ca 0.13 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 1i3s s PRO 52 Cb 0.03 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 1i3s s PRO 52 CO -0.04 0.11 0.95 0.42 0.04 0.00 0.00 177.00 178.47 1i3s s ILE 53 N -1.17 4.21 0.00 0.56 1.01 -1.26 -2.20 121.20 122.34 1i3s s ILE 53 Ca 0.46 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.90 1i3s s ILE 53 Cb -0.34 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1i3s s ILE 53 CO 0.44 0.11 0.37 -2.11 0.00 0.00 0.00 174.94 173.74 1i3s n ARG 54 N 0.47 -0.60 -3.64 2.79 1.85 0.10 -4.97 116.66 112.66 1i3s n ARG 54 Ca 0.02 -0.37 -0.07 0.00 -1.00 0.00 0.00 57.85 56.43 1i3s n ARG 54 Cb 0.50 -0.86 -0.07 0.00 -1.05 0.00 0.00 32.46 30.98 1i3s n ARG 54 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1i3s s SER 55 N -0.02 -0.39 -0.04 2.89 0.15 -1.19 -5.01 113.70 110.10 1i3s s SER 55 Ca 0.00 0.73 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1i3s s SER 55 Cb 0.00 0.78 0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1i3s s SER 55 CO 0.00 -0.12 -0.09 -0.69 1.20 0.00 0.00 173.24 173.53 1i3s s VAL 56 N 0.31 0.86 0.08 4.45 1.01 -1.26 -1.00 120.40 124.84 1i3s s VAL 56 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1i3s s VAL 56 Cb -0.05 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1i3s s VAL 56 CO -0.09 0.28 -0.01 -0.89 0.00 0.00 0.00 175.10 174.39 1i3s s THR 57 N 0.46 0.22 0.08 3.92 2.01 -0.44 -4.99 115.64 116.90 1i3s s THR 57 Ca -0.08 -1.85 0.03 0.00 0.31 0.00 0.00 61.69 60.10 1i3s s THR 57 Cb -0.12 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1i3s s THR 57 CO 0.01 -0.85 0.08 -0.13 -0.69 0.00 0.00 174.62 173.05 1i3s s ARG 58 N -3.95 2.90 0.18 4.92 0.52 -1.26 -0.16 118.95 122.11 1i3s s ARG 58 Ca 0.12 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1i3s s ARG 58 Cb 0.08 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1i3s s ARG 58 CO -0.06 0.57 -0.03 0.15 0.02 0.00 0.00 175.30 175.94 1i3s s LYS 59 N -2.39 1.16 0.52 3.54 1.02 0.16 -4.91 119.74 118.85 1i3s s LYS 59 Ca 0.29 -1.55 -0.22 0.00 0.02 0.00 0.00 55.97 54.51 1i3s s LYS 59 Cb -0.12 -0.48 -0.06 0.00 -0.52 0.00 0.00 37.83 36.65 1i3s s LYS 59 CO 0.22 -0.06 1.31 1.21 -0.92 0.00 0.00 175.35 177.11 1i3s s ASN 60 N -3.21 5.53 0.58 2.83 3.84 -1.26 -3.72 114.94 119.53 1i3s s ASN 60 Ca 0.23 2.64 0.39 0.00 0.21 0.00 0.00 52.86 56.33 1i3s s ASN 60 Cb 0.05 -2.63 2.02 0.00 -0.55 0.00 0.00 41.25 40.14 1i3s s ASN 60 CO 0.04 -1.38 2.18 0.78 -2.79 0.00 0.00 177.10 175.93 1i3s h ASN 61 N 1.64 0.00 0.33 -4.21 2.35 -0.45 -2.22 115.58 113.02 1i3s h ASN 61 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1i3s h ASN 61 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1i3s h ASN 61 CO 0.58 0.00 0.00 -0.55 -1.65 0.00 0.00 177.43 175.81 1i3s h ASN 62 N 0.00 0.00 0.14 5.81 7.08 -1.90 -1.62 115.58 125.09 1i3s h ASN 62 Ca 0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 1i3s h ASN 62 Cb 0.10 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.34 1i3s h ASN 62 CO 0.00 0.00 -0.17 0.25 -2.08 0.00 0.00 177.43 175.43 1i3s h LEU 63 N 0.00 0.06 -0.17 6.14 5.85 -1.77 -2.90 115.31 122.53 1i3s h LEU 63 Ca 0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1i3s h LEU 63 Cb 0.17 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1i3s h LEU 63 CO 0.00 0.25 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.10 1i3s h ARG 64 N 0.07 -0.17 -0.09 1.25 2.43 -1.51 0.06 114.38 116.42 1i3s h ARG 64 Ca 0.01 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 1i3s h ARG 64 Cb 0.35 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1i3s h ARG 64 CO 0.02 -0.11 -0.72 -0.44 -1.51 0.00 0.00 179.97 177.21 1i3s h ASP 65 N -0.17 0.52 0.10 -3.80 3.45 -1.71 -1.07 116.42 113.74 1i3s h ASP 65 Ca 0.11 -0.34 0.02 0.00 0.43 0.00 0.00 57.03 57.25 1i3s h ASP 65 Cb 0.33 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 1i3s h ASP 65 CO -0.27 1.08 -0.22 0.03 -1.57 0.00 0.00 179.24 178.29 1i3s h ARG 66 N 0.30 -0.39 -0.06 3.56 3.08 -1.25 -1.64 114.38 117.98 1i3s h ARG 66 Ca -0.03 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1i3s h ARG 66 Cb 1.30 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 1i3s h ARG 66 CO 0.13 -0.26 0.02 0.82 -1.07 0.00 0.00 179.97 179.61 1i3s h ILE 67 N -0.40 1.13 -0.66 2.04 2.04 -0.97 -3.11 117.51 117.57 1i3s h ILE 67 Ca 0.03 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.57 1i3s h ILE 67 Cb 0.43 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1i3s h ILE 67 CO -0.13 0.11 0.44 0.50 0.00 0.00 0.00 178.15 179.07 1i3s h LYS 68 N -0.06 0.58 -0.21 2.37 3.64 -1.14 -2.72 116.57 119.03 1i3s h LYS 68 Ca 0.02 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1i3s h LYS 68 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1i3s h LYS 68 CO -0.00 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.22 1i3s h SER 69 N 0.60 0.28 0.65 4.20 4.64 -1.22 -2.56 113.55 120.13 1i3s h SER 69 Ca 0.30 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1i3s h SER 69 Cb 0.38 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1i3s h SER 69 CO -0.10 0.33 -0.31 0.11 -0.87 0.00 0.00 176.83 176.00 1i3s h LYS 70 N 0.30 -0.84 -0.49 4.77 6.56 -1.58 0.37 116.57 125.66 1i3s h LYS 70 Ca 0.07 0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.60 1i3s h LYS 70 Cb 0.20 0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1i3s h LYS 70 CO 0.00 -0.55 -0.14 -1.35 -2.06 0.00 0.00 179.45 175.35 1i3s h PRO 71 N -0.89 0.96 -0.50 3.15 0.11 -1.70 -2.52 132.00 130.61 1i3s h PRO 71 Ca -0.09 -0.38 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1i3s h PRO 71 Cb 0.67 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.68 1i3s h PRO 71 CO 0.15 1.05 0.19 -0.44 -0.21 0.00 0.00 178.00 178.73 1i3s h ASP 72 N 0.82 0.20 -0.43 -2.05 3.32 -1.38 -0.95 116.42 115.95 1i3s h ASP 72 Ca 0.12 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1i3s h ASP 72 Cb 0.71 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1i3s h ASP 72 CO 0.05 0.14 0.20 -0.33 -1.72 0.00 0.00 179.24 177.58 1i3s h GLU 73 N 0.37 0.39 -0.53 3.56 5.08 -0.17 -0.17 114.58 123.11 1i3s h GLU 73 Ca 0.24 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1i3s h GLU 73 Cb 0.24 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1i3s h GLU 73 CO -0.24 0.26 0.30 1.96 -1.00 0.00 0.00 179.01 180.30 1i3s h GLN 74 N 0.40 0.58 0.00 2.33 1.08 -0.89 -2.61 115.11 116.00 1i3s h GLN 74 Ca 0.19 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.26 1i3s h GLN 74 Cb 0.12 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1i3s h GLN 74 CO -0.15 0.39 -0.43 0.74 -0.95 0.00 0.00 178.83 178.43 1i3s h PHE 75 N 0.60 0.00 -0.09 2.96 0.04 -0.85 -2.92 116.94 116.68 1i3s h PHE 75 Ca 0.22 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 1i3s h PHE 75 Cb 0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1i3s h PHE 75 CO -0.07 0.43 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.47 1i3s h ASP 76 N 0.00 0.13 0.22 2.17 3.32 -0.65 -1.34 116.42 120.26 1i3s h ASP 76 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1i3s h ASP 76 Cb 1.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1i3s h ASP 76 CO 0.06 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.88 1i3s n GLN 77 N -4.28 0.16 -0.01 3.56 6.02 -1.10 -1.51 117.38 120.22 1i3s n GLN 77 Ca -0.01 0.18 0.09 0.00 -0.01 0.00 0.00 57.00 57.25 1i3s n GLN 77 Cb 0.27 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 1i3s n GLN 77 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1i3s n LEU 78 N -1.29 0.23 -4.95 1.08 4.77 -0.51 -5.02 117.00 111.31 1i3s n LEU 78 Ca 0.05 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1i3s n LEU 78 Cb 0.09 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1i3s n LEU 78 CO 0.09 0.06 0.53 -1.61 -1.33 0.00 0.00 177.39 175.12 1i3s s GLU 79 N -3.07 2.29 -0.43 3.23 2.02 -0.57 -4.94 118.70 117.24 1i3s s GLU 79 Ca -0.03 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.56 1i3s s GLU 79 Cb 0.12 -2.29 0.24 0.00 0.10 0.00 0.00 34.13 32.30 1i3s s GLU 79 CO 0.73 -1.06 0.65 0.54 0.02 0.00 0.00 175.26 176.14 1i3s n ARG 80 N -2.72 0.72 -2.95 1.61 1.74 -0.29 -4.94 116.66 109.83 1i3s n ARG 80 Ca 0.08 -2.67 -0.44 0.00 -0.77 0.00 0.00 57.85 54.06 1i3s n ARG 80 Cb 0.60 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 1i3s n ARG 80 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1i3s s ASP 81 N -1.30 6.25 -0.10 0.55 -1.08 -1.26 -2.55 116.67 117.18 1i3s s ASP 81 Ca 0.34 -1.31 0.00 0.00 -0.52 0.00 0.00 52.55 51.06 1i3s s ASP 81 Cb 0.19 -2.38 0.09 0.00 -1.46 0.00 0.00 42.92 39.36 1i3s s ASP 81 CO -0.16 -1.28 1.71 -1.22 0.52 0.00 0.00 175.17 174.74 1i3s n TYR 82 N 7.06 0.56 -1.72 -5.34 4.02 -1.26 -4.88 117.16 115.61 1i3s n TYR 82 Ca -0.01 -1.14 -0.29 0.00 -0.01 0.00 0.00 57.90 56.45 1i3s n TYR 82 Cb 0.45 -0.57 0.14 0.00 -0.02 0.00 0.00 39.34 39.34 1i3s n TYR 82 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1i3s s SER 83 N 1.06 3.63 -0.78 7.72 0.01 -1.26 -3.64 113.70 120.44 1i3s s SER 83 Ca 0.11 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1i3s s SER 83 Cb 0.09 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1i3s s SER 83 CO 0.01 -2.45 0.00 0.47 0.41 0.00 0.00 173.24 171.67 1i3s n ASP 84 N -3.67 -5.05 -4.78 2.44 8.00 -1.26 -4.91 116.55 107.32 1i3s n ASP 84 Ca 0.09 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.43 1i3s n ASP 84 Cb 0.60 -3.59 -0.02 0.00 -0.02 0.00 0.00 41.12 38.09 1i3s n ASP 84 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1i3s s GLN 85 N -2.47 3.61 -0.98 -1.24 2.00 -1.24 -5.00 119.66 114.35 1i3s s GLN 85 Ca 0.00 1.53 -0.02 0.00 -2.00 0.00 0.00 55.36 54.87 1i3s s GLN 85 Cb 0.00 -2.11 0.29 0.00 0.80 0.00 0.00 33.01 31.99 1i3s s GLN 85 CO 0.00 -0.62 1.30 0.00 -0.50 0.00 0.00 175.29 175.48 1i3s n MET 86 N -1.02 4.01 0.00 1.67 3.85 -1.26 -5.22 117.12 119.15 1i3s n MET 86 Ca 0.10 -4.58 0.00 0.00 -1.00 0.00 0.00 57.70 52.22 1i3s n MET 86 Cb 0.51 -2.46 0.00 0.00 -1.05 0.00 0.00 33.22 30.23 1i3s n MET 86 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1i3s n ASP 87 N 1.27 0.00 0.00 3.17 5.68 -1.26 -5.30 116.55 120.11 1i3s n ASP 87 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 1i3s n ASP 87 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1i3s n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i3s n SER 92 N -0.63 0.00 -4.15 -1.12 7.64 -1.26 -5.13 113.62 108.97 1i3s n SER 92 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1i3s n SER 92 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1i3s n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1i3s s ILE 93 N 0.00 1.33 -0.10 0.44 1.01 -1.26 -4.64 121.20 117.98 1i3s s ILE 93 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1i3s s ILE 93 Cb 0.00 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1i3s s ILE 93 CO 0.00 0.38 -0.15 -0.54 0.00 0.00 0.00 174.94 174.63 1i3s s LYS 94 N -0.33 3.06 0.10 2.79 1.02 -0.66 -4.96 119.74 120.76 1i3s s LYS 94 Ca 0.05 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1i3s s LYS 94 Cb -0.07 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1i3s s LYS 94 CO -0.00 0.34 0.01 0.71 -0.92 0.00 0.00 175.35 175.48 1i3s s TYR 95 N 0.01 2.99 -0.20 3.18 1.51 -1.26 -1.37 117.35 122.22 1i3s s TYR 95 Ca -0.05 -0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1i3s s TYR 95 Cb -0.14 -1.53 0.10 0.00 -0.11 0.00 0.00 41.96 40.27 1i3s s TYR 95 CO 0.04 0.49 0.29 -0.06 -1.11 0.00 0.00 175.55 175.20 1i3s s PHE 96 N -1.36 -0.51 0.35 2.71 0.40 0.01 -5.00 117.98 114.58 1i3s s PHE 96 Ca 0.26 0.67 0.08 0.00 -0.60 0.00 0.00 56.93 57.34 1i3s s PHE 96 Cb -0.11 -0.13 -0.07 0.00 0.51 0.00 0.00 43.02 43.22 1i3s s PHE 96 CO 0.19 -0.56 -0.05 0.15 0.70 0.00 0.00 175.22 175.64 1i3s s LYS 97 N 2.43 1.79 0.28 0.44 1.02 -1.26 -0.14 119.74 124.29 1i3s s LYS 97 Ca 0.07 -1.95 -0.15 0.00 0.02 0.00 0.00 55.97 53.95 1i3s s LYS 97 Cb -0.14 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 1i3s s LYS 97 CO -0.12 0.05 0.58 0.34 -0.92 0.00 0.00 175.35 175.28 1i3s s ASP 98 N -3.59 -0.08 0.63 2.83 -1.08 -0.32 -4.97 116.67 110.10 1i3s s ASP 98 Ca 0.33 -0.88 0.39 0.00 -0.52 0.00 0.00 52.55 51.87 1i3s s ASP 98 Cb 0.05 0.66 2.15 0.00 -1.46 0.00 0.00 42.92 44.32 1i3s s ASP 98 CO 0.16 -1.26 2.31 1.05 0.52 0.00 0.00 175.17 177.94 1i3s h GLU 99 N 2.14 0.00 0.00 4.34 -0.00 -2.02 -3.18 114.58 115.86 1i3s h GLU 99 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.12 1i3s h GLU 99 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1i3s h GLU 99 CO 0.32 0.01 0.00 0.72 -0.00 0.00 0.00 179.01 180.06 1i3s n HIS 100 N -3.36 0.00 -3.85 2.06 8.25 -1.26 -4.95 115.22 112.11 1i3s n HIS 100 Ca -0.03 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.15 1i3s n HIS 100 Cb 0.09 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1i3s n HIS 100 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1i3s s TYR 101 N -0.37 0.16 -0.15 4.41 -0.85 -1.20 0.50 117.35 119.84 1i3s s TYR 101 Ca 0.00 -0.53 -0.08 0.00 -0.52 0.00 0.00 57.07 55.94 1i3s s TYR 101 Cb 0.00 0.06 0.06 0.00 0.38 0.00 0.00 41.96 42.46 1i3s s TYR 101 CO 0.00 -0.69 0.36 0.45 -1.52 0.00 0.00 175.55 174.14 1i3s s SER 102 N -2.90 -0.36 0.02 -0.18 0.15 -0.37 -1.17 113.70 108.90 1i3s s SER 102 Ca 0.10 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.57 1i3s s SER 102 Cb 0.03 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 65.05 1i3s s SER 102 CO -0.05 -0.19 -0.11 -0.69 1.20 0.00 0.00 173.24 173.39 1i3s s VAL 103 N 1.56 0.87 -0.01 4.45 1.01 0.80 -0.41 120.40 128.68 1i3s s VAL 103 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1i3s s VAL 103 Cb -0.10 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1i3s s VAL 103 CO -0.11 0.02 -0.00 -0.94 0.00 0.00 0.00 175.10 174.07 1i3s s SER 104 N -0.85 0.11 -0.08 3.32 1.04 0.02 -0.81 113.70 116.44 1i3s s SER 104 Ca 0.01 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.44 1i3s s SER 104 Cb -0.06 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1i3s s SER 104 CO 0.01 -0.02 -0.09 0.00 0.98 0.00 0.00 173.24 174.11 1i3s s GLN 106 N -0.55 0.54 0.40 0.00 0.00 -0.96 -1.66 119.66 117.44 1i3s s GLN 106 Ca 0.08 -0.05 -0.27 0.00 -0.00 0.00 0.00 55.36 55.12 1i3s s GLN 106 Cb -0.12 0.25 -0.10 0.00 0.00 0.00 0.00 33.01 33.04 1i3s s GLN 106 CO 0.02 -0.21 1.39 0.09 0.00 0.00 0.00 175.29 176.59 1i3s n ASN 107 N 0.25 3.23 -0.19 12.60 4.13 -1.26 -0.95 115.26 133.07 1i3s n ASN 107 Ca -0.06 1.17 -0.02 0.00 1.68 0.00 0.00 54.58 57.34 1i3s n ASN 107 Cb 0.59 -1.57 0.05 0.00 -1.54 0.00 0.00 39.78 37.31 1i3s n ASN 107 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1i3s h GLY 108 N 2.50 0.35 -0.36 7.41 0.00 -1.30 -0.43 103.07 111.22 1i3s h GLY 108 Ca -0.49 0.23 0.25 0.00 0.00 0.00 0.00 47.33 47.32 1i3s h GLY 108 CO 0.62 -0.23 0.40 1.48 0.00 0.00 0.00 176.54 178.82 1i3s h SER 109 N -0.03 0.30 -0.16 0.19 4.64 -1.87 0.57 113.55 117.18 1i3s h SER 109 Ca 0.27 0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.75 1i3s h SER 109 Cb 0.45 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1i3s h SER 109 CO -0.61 -0.08 0.02 0.58 -0.87 0.00 0.00 176.83 175.87 1i3s h VAL 110 N 0.33 1.23 -0.53 0.95 2.07 -1.45 0.90 116.25 119.75 1i3s h VAL 110 Ca 0.61 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1i3s h VAL 110 Cb 1.25 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1i3s h VAL 110 CO -0.59 0.22 0.32 0.25 0.02 0.00 0.00 177.57 177.79 1i3s h LEU 111 N 0.05 0.51 -0.53 2.57 5.85 -0.04 -1.05 115.31 122.67 1i3s h LEU 111 Ca 0.05 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1i3s h LEU 111 Cb 0.32 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1i3s h LEU 111 CO 0.00 0.36 0.30 0.50 -0.34 0.00 0.00 178.44 179.27 1i3s h LYS 112 N 0.63 0.57 0.00 1.25 3.64 0.13 0.15 116.57 122.94 1i3s h LYS 112 Ca 0.21 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1i3s h LYS 112 Cb 0.02 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1i3s h LYS 112 CO -0.09 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.13 1i3s h SER 113 N 0.59 0.00 -0.15 4.20 4.64 0.05 -3.34 113.55 119.54 1i3s h SER 113 Ca 0.22 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.35 1i3s h SER 113 Cb 0.08 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.84 1i3s h SER 113 CO -0.12 0.00 -0.87 1.17 -0.87 0.00 0.00 176.83 176.13 1i3s n LYS 114 N -2.36 0.79 -0.20 4.77 0.00 -0.48 -5.02 118.16 115.65 1i3s n LYS 114 Ca 0.03 -2.31 -0.12 0.00 0.00 0.00 0.00 58.31 55.90 1i3s n LYS 114 Cb 0.29 -0.46 -0.09 0.00 0.00 0.00 0.00 35.03 34.78 1i3s n LYS 114 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1i3s h PHE 115 N 1.44 -1.67 -0.71 5.64 3.57 -0.83 -1.81 116.94 122.58 1i3s h PHE 115 Ca -0.27 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 1i3s h PHE 115 Cb 1.53 0.80 -0.03 0.00 2.79 0.00 0.00 35.95 41.04 1i3s h PHE 115 CO 0.21 -0.46 0.26 0.00 -2.23 0.00 0.00 178.31 176.09 1i3s h ALA 116 N 0.17 1.12 0.36 2.41 0.00 -1.93 -0.87 119.26 120.51 1i3s h ALA 116 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1i3s h ALA 116 Cb 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i3s h ALA 116 CO -0.67 0.62 -0.18 1.57 0.00 0.00 0.00 179.25 180.59 1i3s h LYS 117 N 1.03 -0.47 -0.44 0.00 5.09 -1.92 0.28 116.57 120.15 1i3s h LYS 117 Ca 0.23 0.03 0.09 0.00 0.09 0.00 0.00 60.65 61.10 1i3s h LYS 117 Cb 0.24 0.11 -0.09 0.00 0.10 0.00 0.00 32.23 32.59 1i3s h LYS 117 CO -0.02 -0.19 -0.16 0.82 -2.09 0.00 0.00 179.45 177.82 1i3s h ILE 118 N -0.73 0.47 -0.66 0.07 2.04 -1.27 0.92 117.51 118.35 1i3s h ILE 118 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1i3s h ILE 118 Cb 0.50 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1i3s h ILE 118 CO 0.08 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.52 1i3s h LEU 119 N -0.06 0.83 -1.17 1.44 4.07 -1.10 -0.99 115.31 118.32 1i3s h LEU 119 Ca 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1i3s h LEU 119 Cb 0.39 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1i3s h LEU 119 CO -0.48 0.69 0.43 0.11 -1.08 0.00 0.00 178.44 178.11 1i3s h LYS 120 N 0.90 1.00 -0.97 1.13 6.56 0.11 -0.57 116.57 124.73 1i3s h LYS 120 Ca 0.23 -0.09 0.24 0.00 -1.06 0.00 0.00 60.65 59.97 1i3s h LYS 120 Cb 0.05 -0.21 -0.07 0.00 -0.57 0.00 0.00 32.23 31.43 1i3s h LYS 120 CO -0.04 0.71 0.65 1.03 -2.06 0.00 0.00 179.45 179.74 1i3s h SER 121 N 1.01 0.33 -0.45 0.86 0.87 0.22 0.86 113.55 117.25 1i3s h SER 121 Ca 0.26 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1i3s h SER 121 Cb -0.02 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1i3s h SER 121 CO -0.05 0.10 0.00 1.41 -0.53 0.00 0.00 176.83 177.77 1i3s n HIS 122 N -4.49 0.60 -2.91 2.24 8.25 -0.33 -4.90 115.22 113.70 1i3s n HIS 122 Ca 0.22 -0.30 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 1i3s n HIS 122 Cb 0.83 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.97 1i3s n HIS 122 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1i3s n ASP 123 N 0.91 -3.62 -4.11 0.41 5.68 0.30 -4.91 116.55 111.22 1i3s n ASP 123 Ca 0.17 -0.21 -0.36 0.00 -0.50 0.00 0.00 54.79 53.88 1i3s n ASP 123 Cb 0.42 -2.25 -0.11 0.00 -1.14 0.00 0.00 41.12 38.04 1i3s n ASP 123 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1i3s s TYR 124 N -3.12 3.51 -0.19 2.11 5.04 -0.57 -4.85 117.35 119.27 1i3s s TYR 124 Ca 0.22 -2.54 -0.23 0.00 -2.44 0.00 0.00 57.07 52.07 1i3s s TYR 124 Cb -0.10 -3.21 -0.21 0.00 0.35 0.00 0.00 41.96 38.80 1i3s s TYR 124 CO 0.28 -0.92 0.33 1.15 -1.34 0.00 0.00 175.55 175.05 1i3s h THR 125 N 5.92 1.08 0.00 4.34 2.02 -1.89 -3.26 112.91 121.13 1i3s h THR 125 Ca -0.09 -2.22 -0.59 0.00 0.77 0.00 0.00 66.41 64.29 1i3s h THR 125 Cb 1.01 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.82 1i3s h THR 125 CO 0.71 0.38 1.25 -0.67 0.37 0.00 0.00 175.52 177.55 1i3s n ASP 126 N -4.45 0.52 -0.16 4.18 -0.08 -1.26 -4.83 116.55 110.47 1i3s n ASP 126 Ca -0.28 0.45 -0.02 0.00 -1.51 0.00 0.00 54.79 53.43 1i3s n ASP 126 Cb 0.65 -0.78 0.07 0.00 2.34 0.00 0.00 41.12 43.40 1i3s n ASP 126 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1i3s h LYS 127 N 8.49 0.24 -0.56 -0.67 5.09 -2.00 -1.70 116.57 125.46 1i3s h LYS 127 Ca -0.07 -0.01 0.02 0.00 0.09 0.00 0.00 60.65 60.67 1i3s h LYS 127 Cb 1.19 -0.05 -0.04 0.00 0.10 0.00 0.00 32.23 33.43 1i3s h LYS 127 CO 1.01 0.16 0.35 1.57 -2.09 0.00 0.00 179.45 180.45 1i3s h LYS 128 N 0.25 0.67 -0.52 0.07 5.09 -2.00 -1.04 116.57 119.09 1i3s h LYS 128 Ca 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.95 1i3s h LYS 128 Cb 0.33 -0.15 -0.03 0.00 0.10 0.00 0.00 32.23 32.48 1i3s h LYS 128 CO -0.32 0.45 0.34 0.77 -2.09 0.00 0.00 179.45 178.60 1i3s h SER 129 N 0.70 0.60 -0.95 7.07 0.02 -1.80 -0.43 113.55 118.76 1i3s h SER 129 Ca 0.22 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1i3s h SER 129 Cb -0.00 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1i3s h SER 129 CO -0.09 0.44 0.59 0.40 -1.14 0.00 0.00 176.83 177.03 1i3s h ILE 130 N 0.71 1.26 -0.30 3.27 2.04 -0.83 -0.84 117.51 122.80 1i3s h ILE 130 Ca 0.19 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1i3s h ILE 130 Cb -0.07 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 35.90 1i3s h ILE 130 CO -0.04 0.26 -0.05 -0.33 0.00 0.00 0.00 178.15 178.00 1i3s h GLU 131 N 1.30 0.56 -0.06 2.37 5.08 -0.76 -1.54 114.58 121.53 1i3s h GLU 131 Ca 0.34 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1i3s h GLU 131 Cb -0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1i3s h GLU 131 CO -0.07 0.74 -0.18 0.00 -1.00 0.00 0.00 179.01 178.50 1i3s h ALA 132 N 0.80 -0.18 -0.74 3.43 0.00 -0.46 0.42 119.26 122.53 1i3s h ALA 132 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1i3s h ALA 132 Cb 0.52 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1i3s h ALA 132 CO 0.02 -0.66 0.49 1.88 0.00 0.00 0.00 179.25 180.98 1i3s h TYR 133 N -0.27 0.92 -0.08 0.00 -1.99 -1.13 0.29 116.97 114.72 1i3s h TYR 133 Ca 0.07 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1i3s h TYR 133 Cb 0.37 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1i3s h TYR 133 CO -0.26 0.57 -0.03 1.49 -0.00 0.00 0.00 178.16 179.94 1i3s h GLU 134 N 0.99 0.11 0.10 4.88 4.81 -0.61 0.25 114.58 125.11 1i3s h GLU 134 Ca 0.28 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.21 1i3s h GLU 134 Cb -0.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1i3s h GLU 134 CO -0.07 0.15 -1.49 -0.22 -0.73 0.00 0.00 179.01 176.65 1i3s h LYS 135 N 0.11 0.21 0.00 1.92 3.64 0.06 -3.39 116.57 119.12 1i3s h LYS 135 Ca 0.03 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1i3s h LYS 135 Cb 0.12 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1i3s h LYS 135 CO 0.00 1.17 -1.71 0.66 -2.27 0.00 0.00 179.45 177.30 1i3s n TYR 136 N -3.92 0.00 -0.07 1.91 0.53 0.94 -4.71 117.16 111.84 1i3s n TYR 136 Ca -0.27 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.50 1i3s n TYR 136 Cb 0.89 -0.37 -0.04 0.00 -1.03 0.00 0.00 39.34 38.80 1i3s n TYR 136 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1i3s h LEU 138 N -0.75 0.15 -1.52 0.00 5.85 -1.34 0.70 115.31 118.40 1i3s h LEU 138 Ca -0.14 0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1i3s h LEU 138 Cb 0.94 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1i3s h LEU 138 CO -0.09 -0.11 0.53 -0.65 -0.34 0.00 0.00 178.44 177.78 1i3s h PRO 139 N 0.27 0.45 0.00 5.25 0.11 -1.84 0.89 132.00 137.14 1i3s h PRO 139 Ca 0.58 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.61 1i3s h PRO 139 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1i3s h PRO 139 CO -0.61 0.30 -0.23 0.87 -0.21 0.00 0.00 178.00 178.11 1i3s h LYS 140 N 0.46 0.00 -0.03 1.05 1.79 -1.14 -3.20 116.57 115.51 1i3s h LYS 140 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1i3s h LYS 140 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1i3s h LYS 140 CO -0.14 0.23 -0.11 1.28 -1.08 0.00 0.00 179.45 179.63 1i3s n LEU 141 N -3.31 2.66 -4.08 2.94 4.77 0.19 -4.86 117.00 115.32 1i3s n LEU 141 Ca 0.01 -0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 54.73 1i3s n LEU 141 Cb 0.48 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 1i3s n LEU 141 CO 0.34 0.46 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.69 1i3s s VAL 142 N -2.02 2.13 -0.09 4.08 1.01 -0.51 -4.73 120.40 120.26 1i3s s VAL 142 Ca 0.24 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1i3s s VAL 142 Cb 0.19 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1i3s s VAL 142 CO 0.35 0.09 -0.11 -0.62 0.00 0.00 0.00 175.10 174.82 1i3s s ASP 143 N 1.15 4.26 -0.01 3.32 3.68 -1.26 -4.90 116.67 122.90 1i3s s ASP 143 Ca -0.06 -0.19 -0.07 0.00 2.13 0.00 0.00 52.55 54.36 1i3s s ASP 143 Cb -0.18 -1.28 -0.04 0.00 -1.45 0.00 0.00 42.92 39.96 1i3s s ASP 143 CO -0.07 0.27 0.53 1.05 0.13 0.00 0.00 175.17 177.08 1i3s h GLU 144 N 5.93 -0.25 -0.39 4.34 -0.00 -1.99 -3.34 114.58 118.89 1i3s h GLU 144 Ca -0.38 0.02 0.03 0.00 -0.00 0.00 0.00 59.36 59.03 1i3s h GLU 144 Cb 1.18 0.06 -0.05 0.00 -0.00 0.00 0.00 28.75 29.94 1i3s h GLU 144 CO 0.54 -0.16 -0.23 2.89 -0.00 0.00 0.00 179.01 182.05 1i3s n ARG 145 N -3.39 -0.17 -5.27 1.06 1.85 -1.26 -3.97 116.66 105.52 1i3s n ARG 145 Ca -0.03 0.66 -0.31 0.00 -1.00 0.00 0.00 57.85 57.17 1i3s n ARG 145 Cb 0.10 -0.97 -0.16 0.00 -1.05 0.00 0.00 32.46 30.38 1i3s n ARG 145 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1i3s s ASN 146 N -4.86 3.14 -1.19 2.89 -0.87 -1.26 -5.03 114.94 107.76 1i3s s ASN 146 Ca -0.05 -0.45 -0.04 0.00 -1.57 0.00 0.00 52.86 50.76 1i3s s ASN 146 Cb 0.04 -0.44 0.19 0.00 -0.02 0.00 0.00 41.25 41.03 1i3s s ASN 146 CO 0.24 0.31 2.19 -0.67 -2.57 0.00 0.00 177.10 176.61 1i3s n ASP 147 N 2.48 7.77 -4.41 -1.22 4.64 -1.25 -4.24 116.55 120.32 1i3s n ASP 147 Ca -0.16 -3.35 -0.38 0.00 -1.38 0.00 0.00 54.79 49.52 1i3s n ASP 147 Cb 0.51 -1.29 0.03 0.00 -1.04 0.00 0.00 41.12 39.34 1i3s n ASP 147 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1i3s n TYR 148 N 1.04 -1.28 -1.72 -0.67 0.53 -1.26 -4.14 117.16 109.66 1i3s n TYR 148 Ca 0.57 0.44 -0.31 0.00 -1.02 0.00 0.00 57.90 57.57 1i3s n TYR 148 Cb 0.26 -1.88 0.03 0.00 -1.03 0.00 0.00 39.34 36.72 1i3s n TYR 148 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 1i3s s TYR 149 N -1.80 3.22 -0.00 -0.72 1.51 -1.15 -1.18 117.35 117.22 1i3s s TYR 149 Ca 0.65 1.41 0.02 0.00 -1.01 0.00 0.00 57.07 58.14 1i3s s TYR 149 Cb -0.45 -2.86 -0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1i3s s TYR 149 CO 0.58 -1.07 -0.06 0.08 -1.11 0.00 0.00 175.55 173.97 1i3s s VAL 150 N -2.99 0.45 -0.21 0.71 1.01 -0.12 -2.28 120.40 116.97 1i3s s VAL 150 Ca 0.58 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 1i3s s VAL 150 Cb -0.13 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1i3s s VAL 150 CO 0.52 0.13 0.02 0.00 0.00 0.00 0.00 175.10 175.77 1i3s s ALA 151 N -0.12 3.11 -0.22 5.51 0.00 -0.17 -2.27 121.76 127.60 1i3s s ALA 151 Ca 0.02 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1i3s s ALA 151 Cb -0.02 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1i3s s ALA 151 CO -0.00 -0.17 -0.01 0.08 0.00 0.00 0.00 175.76 175.66 1i3s s VAL 152 N 1.03 3.64 -0.12 0.00 1.01 -0.43 -2.18 120.40 123.35 1i3s s VAL 152 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1i3s s VAL 152 Cb -0.14 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1i3s s VAL 152 CO 0.02 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 1i3s s VAL 154 N 0.94 3.22 -0.08 0.00 1.01 0.45 -0.62 120.40 125.32 1i3s s VAL 154 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1i3s s VAL 154 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1i3s s VAL 154 CO -0.02 0.47 0.29 -0.76 0.00 0.00 0.00 175.10 175.08 1i3s s LEU 155 N 1.07 4.38 0.12 3.92 1.02 0.17 -1.23 118.68 128.13 1i3s s LEU 155 Ca 0.00 0.69 0.06 0.00 0.02 0.00 0.00 54.13 54.90 1i3s s LEU 155 Cb -0.15 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1i3s s LEU 155 CO -0.01 0.29 -0.04 -0.54 0.02 0.00 0.00 176.35 176.07 1i3s s LYS 156 N -0.63 2.34 -0.02 1.70 1.02 0.18 -1.19 119.74 123.14 1i3s s LYS 156 Ca 0.19 -0.99 -0.37 0.00 0.02 0.00 0.00 55.97 54.83 1i3s s LYS 156 Cb -0.14 -2.40 -0.15 0.00 -0.52 0.00 0.00 37.83 34.62 1i3s s LYS 156 CO 0.08 0.50 1.57 -2.30 -0.92 0.00 0.00 175.35 174.28 1i3s n PRO 157 N 0.43 1.50 0.00 -1.68 -0.02 -1.26 -1.49 135.00 132.48 1i3s n PRO 157 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1i3s n PRO 157 Cb 0.53 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1i3s n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i3s n GLY 158 N 3.40 1.40 0.25 -1.23 0.00 -1.26 -4.94 105.19 102.81 1i3s n GLY 158 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1i3s n GLY 158 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i3s h PHE 159 N 0.00 0.18 -0.01 1.61 3.57 -1.52 -1.25 116.94 119.52 1i3s h PHE 159 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1i3s h PHE 159 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1i3s h PHE 159 CO 0.00 0.24 0.00 -0.85 -2.23 0.00 0.00 178.31 175.47 1i3s n GLU 160 N -4.38 1.22 -3.13 1.11 0.00 -1.26 -4.66 120.64 109.53 1i3s n GLU 160 Ca -0.01 -0.32 -0.40 0.00 0.00 0.00 0.00 57.16 56.43 1i3s n GLU 160 Cb 0.19 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 30.09 1i3s n GLU 160 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1i3s s ASN 161 N -1.96 6.57 0.00 -1.84 0.02 -0.47 -4.86 114.94 112.40 1i3s s ASN 161 Ca 0.43 0.70 0.00 0.00 -1.02 0.00 0.00 52.86 52.97 1i3s s ASN 161 Cb 0.21 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 39.15 1i3s s ASN 161 CO 0.35 -0.34 0.00 0.61 0.02 0.00 0.00 177.10 177.74 1i3s n GLY 162 N 4.12 -0.60 0.92 0.66 0.00 -1.26 -4.76 105.19 104.27 1i3s n GLY 162 Ca -0.01 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.81 1i3s n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i3s n SER 163 N 0.00 2.70 -2.35 1.61 7.64 -1.26 -4.79 113.62 117.18 1i3s n SER 163 Ca 0.00 -3.54 -0.30 0.00 1.01 0.00 0.00 58.87 56.04 1i3s n SER 163 Cb 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 64.21 62.65 1i3s n SER 163 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1i3s n ASN 164 N -1.02 5.92 -3.55 6.43 3.02 -1.26 0.37 115.26 125.16 1i3s n ASN 164 Ca 0.27 -3.77 -0.40 0.00 -0.03 0.00 0.00 54.58 50.65 1i3s n ASN 164 Cb 0.92 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 1i3s n ASN 164 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i3s n GLN 165 N -0.67 4.91 -3.67 3.52 3.00 -1.26 -4.40 117.38 118.81 1i3s n GLN 165 Ca 0.49 -3.93 -0.14 0.00 -0.01 0.00 0.00 57.00 53.40 1i3s n GLN 165 Cb 0.71 -2.57 -0.14 0.00 0.00 0.00 0.00 30.24 28.23 1i3s n GLN 165 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1i3s s VAL 166 N -2.36 -0.32 -0.11 5.09 1.01 -1.24 -4.81 120.40 117.66 1i3s s VAL 166 Ca 0.48 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.65 1i3s s VAL 166 Cb 0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1i3s s VAL 166 CO -0.10 0.12 0.20 -0.76 0.00 0.00 0.00 175.10 174.56 1i3s s LEU 167 N 2.23 4.38 -0.17 3.92 1.43 -1.17 -0.66 118.68 128.63 1i3s s LEU 167 Ca 0.00 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1i3s s LEU 167 Cb -0.12 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1i3s s LEU 167 CO -0.08 0.35 -0.16 -0.55 0.23 0.00 0.00 176.35 176.14 1i3s s SER 168 N -0.77 3.01 -0.33 2.29 0.15 0.78 -1.24 113.70 117.58 1i3s s SER 168 Ca 0.16 -0.63 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 1i3s s SER 168 Cb -0.13 -1.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.89 1i3s s SER 168 CO 0.05 -0.05 0.11 -0.36 1.20 0.00 0.00 173.24 174.19 1i3s s PHE 169 N 1.38 3.22 -0.21 3.44 0.08 0.18 -1.33 117.98 124.73 1i3s s PHE 169 Ca 0.04 -1.22 -0.23 0.00 0.12 0.00 0.00 56.93 55.64 1i3s s PHE 169 Cb -0.14 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 1i3s s PHE 169 CO -0.11 -0.67 0.72 -2.00 -0.10 0.00 0.00 175.22 173.06 1i3s s GLU 170 N 1.45 4.21 0.23 0.44 2.12 -0.17 -0.58 118.70 126.39 1i3s s GLU 170 Ca 0.00 0.76 -0.08 0.00 0.36 0.00 0.00 54.97 56.02 1i3s s GLU 170 Cb -0.19 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 1i3s s GLU 170 CO 0.03 -0.35 0.33 1.52 -0.54 0.00 0.00 175.26 176.25 1i3s s TYR 171 N 2.28 0.70 -0.27 5.30 1.13 0.47 0.02 117.35 126.97 1i3s s TYR 171 Ca 0.32 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 54.97 1i3s s TYR 171 Cb -0.16 -0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.62 1i3s s TYR 171 CO 0.10 -0.84 -0.05 -0.80 -2.51 0.00 0.00 175.55 171.44 1i3s s ASN 172 N -3.08 4.60 0.20 -0.18 0.02 -0.94 0.00 114.94 115.57 1i3s s ASN 172 Ca 0.29 -1.24 -0.32 0.00 -1.02 0.00 0.00 52.86 50.57 1i3s s ASN 172 Cb 0.03 -1.64 -0.13 0.00 0.02 0.00 0.00 41.25 39.52 1i3s s ASN 172 CO 0.10 -0.21 1.57 -2.65 0.02 0.00 0.00 177.10 175.93 1i3s n PRO 173 N 4.56 2.30 -3.73 -0.60 -0.02 -1.26 -3.43 135.00 132.82 1i3s n PRO 173 Ca -0.14 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1i3s n PRO 173 Cb 0.44 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 1i3s n PRO 173 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i3s s ILE 174 N 0.62 5.38 -1.54 4.25 -1.09 0.23 -4.46 121.20 124.60 1i3s s ILE 174 Ca 0.74 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 1i3s s ILE 174 Cb -0.62 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1i3s s ILE 174 CO 0.41 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.26 1i3s n GLY 175 N 2.58 1.07 2.57 6.18 0.00 -1.26 -3.16 105.19 113.16 1i3s n GLY 175 Ca -0.17 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 1i3s n GLY 175 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i3s n ASN 176 N -0.59 -5.38 -4.70 1.61 3.02 -1.26 -4.96 115.26 103.00 1i3s n ASN 176 Ca -0.16 -0.12 -0.24 0.00 -0.03 0.00 0.00 54.58 54.03 1i3s n ASN 176 Cb 0.54 -4.34 -0.07 0.00 -0.61 0.00 0.00 39.78 35.30 1i3s n ASN 176 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i3s s LYS 177 N -5.19 2.49 -0.07 3.52 -0.14 -1.19 -0.10 119.74 119.06 1i3s s LYS 177 Ca 0.12 -1.24 -0.03 0.00 -1.36 0.00 0.00 55.97 53.46 1i3s s LYS 177 Cb -0.05 -2.32 0.04 0.00 -1.68 0.00 0.00 37.83 33.82 1i3s s LYS 177 CO 0.15 0.40 0.14 0.08 -0.76 0.00 0.00 175.35 175.35 1i3s s VAL 178 N -2.13 -0.15 -0.20 3.17 1.01 -0.01 -4.57 120.40 117.52 1i3s s VAL 178 Ca 0.31 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 1i3s s VAL 178 Cb -0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1i3s s VAL 178 CO 0.21 0.12 0.09 -0.63 0.00 0.00 0.00 175.10 174.89 1i3s s ILE 179 N 1.74 5.00 -0.37 2.22 1.01 -1.26 -0.97 121.20 128.56 1i3s s ILE 179 Ca -0.03 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 1i3s s ILE 179 Cb -0.12 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.10 1i3s s ILE 179 CO -0.06 0.44 0.22 -0.69 0.00 0.00 0.00 174.94 174.85 1i3s s VAL 180 N 0.49 4.70 -0.44 2.92 1.01 0.26 -4.79 120.40 124.55 1i3s s VAL 180 Ca 0.05 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 1i3s s VAL 180 Cb -0.12 -3.59 -0.26 0.00 0.00 0.00 0.00 36.38 32.41 1i3s s VAL 180 CO 0.00 -0.21 1.78 -0.81 0.00 0.00 0.00 175.10 175.86 1i3s n PRO 181 N 5.02 0.78 0.02 2.72 -0.04 -1.26 -2.46 135.00 139.78 1i3s n PRO 181 Ca -0.12 -1.47 0.11 0.00 -0.04 0.00 0.00 63.50 61.98 1i3s n PRO 181 Cb 0.47 -2.78 0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1i3s n PRO 181 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i3s n PHE 182 N 8.75 0.19 -1.59 0.54 0.99 -1.26 -4.95 117.46 120.14 1i3s n PHE 182 Ca 0.48 0.06 -0.50 0.00 -0.00 0.00 0.00 57.45 57.49 1i3s n PHE 182 Cb 0.42 -0.36 -0.06 0.00 -1.00 0.00 0.00 39.48 38.48 1i3s n PHE 182 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1i3s n ALA 183 N -1.76 0.92 -1.95 4.37 0.00 -1.19 -4.64 120.51 116.26 1i3s n ALA 183 Ca 0.02 0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1i3s n ALA 183 Cb 0.41 -2.53 0.15 0.00 0.00 0.00 0.00 19.45 17.49 1i3s n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1i3s s HIS 184 N 5.75 1.66 0.15 0.00 3.76 -1.26 -4.98 115.29 120.37 1i3s s HIS 184 Ca 1.01 0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 55.76 1i3s s HIS 184 Cb -0.76 -3.70 -0.07 0.00 1.11 0.00 0.00 32.58 29.15 1i3s s HIS 184 CO 0.51 -2.28 0.94 -1.83 -0.85 0.00 0.00 174.74 171.22 1i3s s GLU 185 N -5.62 4.73 0.18 1.40 1.03 -1.26 -4.95 118.70 114.22 1i3s s GLU 185 Ca 0.71 1.44 -0.31 0.00 0.03 0.00 0.00 54.97 56.83 1i3s s GLU 185 Cb -0.05 -3.34 -0.09 0.00 -0.80 0.00 0.00 34.13 29.85 1i3s s GLU 185 CO 0.50 0.32 1.45 0.42 -1.33 0.00 0.00 175.26 176.62 1i3s s ILE 186 N -0.41 2.89 0.21 1.83 1.01 -0.11 -5.00 121.20 121.61 1i3s s ILE 186 Ca 0.44 0.68 0.05 0.00 0.00 0.00 0.00 60.65 61.82 1i3s s ILE 186 Cb -0.24 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1i3s s ILE 186 CO 0.30 0.08 -0.06 0.54 0.00 0.00 0.00 174.94 175.79 1i3s s ASN 187 N 0.78 2.10 0.20 3.58 2.20 -1.26 -4.82 114.94 117.73 1i3s s ASN 187 Ca 0.64 -1.12 -0.11 0.00 -0.94 0.00 0.00 52.86 51.32 1i3s s ASN 187 Cb -0.40 -0.05 0.26 0.00 -2.00 0.00 0.00 41.25 39.06 1i3s s ASN 187 CO 0.36 -0.38 1.70 -2.24 -2.94 0.00 0.00 177.10 173.60 1i3s h ASP 188 N 2.54 -0.04 0.59 3.54 -0.00 -1.96 -2.88 116.42 118.22 1i3s h ASP 188 Ca -0.38 0.11 -0.02 0.00 -0.00 0.00 0.00 57.03 56.74 1i3s h ASP 188 Cb 1.21 0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 40.70 1i3s h ASP 188 CO 0.64 -0.00 -0.12 0.71 -0.00 0.00 0.00 179.24 180.47 1i3s h THR 189 N 0.23 0.42 0.00 1.15 1.35 -2.01 -3.46 112.91 110.59 1i3s h THR 189 Ca 0.30 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1i3s h THR 189 Cb 0.43 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1i3s h THR 189 CO -0.40 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.60 1i3s n GLY 190 N -0.38 0.48 3.18 5.82 0.00 -1.09 -5.01 105.19 108.18 1i3s n GLY 190 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1i3s n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3s s LEU 191 N 0.00 1.98 -0.09 0.99 1.43 -1.26 -4.32 118.68 117.41 1i3s s LEU 191 Ca 0.00 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1i3s s LEU 191 Cb 0.00 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1i3s s LEU 191 CO 0.00 0.14 -0.22 -0.31 0.23 0.00 0.00 176.35 176.18 1i3s s TYR 192 N 0.36 2.41 -0.18 0.29 1.51 0.23 -4.94 117.35 117.02 1i3s s TYR 192 Ca -0.16 -0.97 -0.15 0.00 -1.01 0.00 0.00 57.07 54.78 1i3s s TYR 192 Cb -0.17 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1i3s s TYR 192 CO 0.07 -0.39 0.36 -2.00 -1.11 0.00 0.00 175.55 172.47 1i3s s GLU 193 N 0.36 4.21 0.13 -0.62 2.12 -1.26 -1.44 118.70 122.20 1i3s s GLU 193 Ca -0.18 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.34 1i3s s GLU 193 Cb -0.18 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1i3s s GLU 193 CO 0.08 0.07 0.21 0.71 -0.54 0.00 0.00 175.26 175.79 1i3s s TYR 194 N 0.98 3.37 -0.45 5.30 1.51 0.35 -4.95 117.35 123.46 1i3s s TYR 194 Ca 0.18 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 1i3s s TYR 194 Cb -0.14 -1.63 0.19 0.00 -0.11 0.00 0.00 41.96 40.27 1i3s s TYR 194 CO 0.07 0.53 0.79 0.34 -1.11 0.00 0.00 175.55 176.16 1i3s s ASP 195 N -3.01 -1.21 -0.05 2.29 2.15 -0.93 -0.89 116.67 115.02 1i3s s ASP 195 Ca 0.33 -1.17 -0.11 0.00 0.43 0.00 0.00 52.55 52.03 1i3s s ASP 195 Cb -0.11 1.58 0.02 0.00 -0.30 0.00 0.00 42.92 44.10 1i3s s ASP 195 CO 0.26 -0.07 0.26 0.54 -0.17 0.00 0.00 175.17 175.99 1i3s s VAL 196 N 1.21 0.04 0.09 1.11 0.11 -0.93 -1.34 120.40 120.68 1i3s s VAL 196 Ca 0.24 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1i3s s VAL 196 Cb 0.01 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1i3s s VAL 196 CO -0.07 -0.18 -0.19 0.68 -3.33 0.00 0.00 175.10 172.01 1i3s s VAL 197 N -0.74 1.54 0.05 2.04 -7.23 -0.51 -1.86 120.40 113.69 1i3s s VAL 197 Ca -0.08 -1.44 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 1i3s s VAL 197 Cb -0.04 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1i3s s VAL 197 CO 0.02 -0.08 0.21 0.00 -0.31 0.00 0.00 175.10 174.94 1i3s s ALA 198 N -1.15 -0.37 -0.14 1.32 0.00 0.41 -1.85 121.76 119.98 1i3s s ALA 198 Ca 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 1i3s s ALA 198 Cb -0.10 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.42 1i3s s ALA 198 CO 0.03 -0.41 0.03 -0.47 0.00 0.00 0.00 175.76 174.94 1i3s s TYR 199 N -2.94 0.80 -0.19 0.00 6.14 0.09 -0.92 117.35 120.33 1i3s s TYR 199 Ca -0.02 -0.53 -0.00 0.00 0.64 0.00 0.00 57.07 57.15 1i3s s TYR 199 Cb 0.01 -0.90 0.05 0.00 0.42 0.00 0.00 41.96 41.53 1i3s s TYR 199 CO -0.06 -0.49 -0.05 0.08 0.64 0.00 0.00 175.55 175.67 1i3s s VAL 200 N 1.93 1.26 0.38 3.14 1.01 -0.22 0.03 120.40 127.94 1i3s s VAL 200 Ca 0.02 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1i3s s VAL 200 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1i3s s VAL 200 CO -0.07 0.05 0.52 1.51 0.00 0.00 0.00 175.10 177.11 1i3s s ASP 201 N 1.55 5.78 -1.26 3.32 1.47 -0.68 0.02 116.67 126.87 1i3s s ASP 201 Ca -0.01 -0.33 -0.03 0.00 1.18 0.00 0.00 52.55 53.36 1i3s s ASP 201 Cb -0.16 -0.91 0.00 0.00 -0.34 0.00 0.00 42.92 41.51 1i3s s ASP 201 CO -0.07 -0.61 1.06 -1.20 0.68 0.00 0.00 175.17 175.03 1i3s n SER 202 N -1.75 -3.60 -4.17 2.11 7.64 -0.58 -4.44 113.62 108.84 1i3s n SER 202 Ca 0.04 -0.59 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 1i3s n SER 202 Cb 0.59 -5.08 -0.10 0.00 -1.01 0.00 0.00 64.21 58.60 1i3s n SER 202 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1i3s s VAL 203 N -3.35 0.77 -0.12 0.44 -7.23 -1.09 -1.93 120.40 107.89 1i3s s VAL 203 Ca 0.21 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.50 1i3s s VAL 203 Cb -0.09 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1i3s s VAL 203 CO 0.73 -0.75 0.19 -1.58 -0.31 0.00 0.00 175.10 173.38 1i3s s GLN 204 N -3.38 3.66 0.55 4.82 0.74 -0.29 -4.65 119.66 121.11 1i3s s GLN 204 Ca 0.09 -0.05 -0.21 0.00 0.05 0.00 0.00 55.36 55.24 1i3s s GLN 204 Cb 0.02 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 1i3s s GLN 204 CO -0.03 0.67 1.24 0.34 -0.55 0.00 0.00 175.29 176.96 1i3s n PHE 205 N 2.26 1.87 -3.26 1.67 7.35 -1.26 -4.46 117.46 121.62 1i3s n PHE 205 Ca -0.18 0.44 -0.24 0.00 -0.76 0.00 0.00 57.45 56.71 1i3s n PHE 205 Cb 0.54 -2.30 -0.08 0.00 0.35 0.00 0.00 39.48 37.99 1i3s n PHE 205 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1i3s n ASP 206 N -0.88 -0.54 -0.21 -2.13 -0.08 -1.26 -4.99 116.55 106.45 1i3s n ASP 206 Ca 0.11 -2.54 -0.03 0.00 -1.51 0.00 0.00 54.79 50.82 1i3s n ASP 206 Cb 0.45 -0.35 0.04 0.00 2.34 0.00 0.00 41.12 43.59 1i3s n ASP 206 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1i3s h GLY 207 N 4.99 0.17 0.15 0.27 0.00 -1.98 -1.73 103.07 104.95 1i3s h GLY 207 Ca 0.18 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.88 1i3s h GLY 207 CO 0.38 -0.23 -0.35 0.83 0.00 0.00 0.00 176.54 177.16 1i3s h GLU 208 N -0.09 -0.43 0.00 4.80 5.08 -1.99 0.17 114.58 122.11 1i3s h GLU 208 Ca 0.27 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1i3s h GLU 208 Cb 0.53 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1i3s h GLU 208 CO -0.68 -0.29 -0.06 -0.56 -1.00 0.00 0.00 179.01 176.42 1i3s h GLN 209 N -0.45 0.00 -0.13 2.33 3.07 -1.94 -1.65 115.11 116.35 1i3s h GLN 209 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.65 1i3s h GLN 209 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 1i3s h GLN 209 CO -0.34 0.06 -0.62 0.74 0.09 0.00 0.00 178.83 178.76 1i3s h PHE 210 N 0.00 0.60 -0.13 0.06 0.04 -0.51 -2.74 116.94 114.25 1i3s h PHE 210 Ca -0.00 -0.23 -0.10 0.00 2.80 0.00 0.00 57.97 60.43 1i3s h PHE 210 Cb 0.67 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1i3s h PHE 210 CO 0.00 0.96 -0.32 1.49 -0.60 0.00 0.00 178.31 179.84 1i3s h GLU 211 N 0.34 0.45 -0.50 1.51 4.81 -0.27 -0.71 114.58 120.21 1i3s h GLU 211 Ca -0.01 -0.31 0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1i3s h GLU 211 Cb 1.17 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 1i3s h GLU 211 CO 0.11 0.92 0.06 1.49 -0.73 0.00 0.00 179.01 180.86 1i3s h GLU 212 N 0.05 0.17 0.00 1.92 4.81 -1.31 0.14 114.58 120.37 1i3s h GLU 212 Ca -0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1i3s h GLU 212 Cb 0.93 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1i3s h GLU 212 CO 0.07 0.12 -0.00 0.35 -0.73 0.00 0.00 179.01 178.81 1i3s h PHE 213 N 0.18 -0.00 -0.19 0.92 3.57 -1.44 -2.88 116.94 117.10 1i3s h PHE 213 Ca 0.26 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1i3s h PHE 213 Cb 0.37 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1i3s h PHE 213 CO -0.27 0.19 0.09 0.28 -2.23 0.00 0.00 178.31 176.37 1i3s h VAL 214 N -0.20 1.13 0.00 1.41 2.07 -0.63 -2.52 116.25 117.51 1i3s h VAL 214 Ca -0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1i3s h VAL 214 Cb 0.19 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1i3s h VAL 214 CO 0.00 0.12 0.03 1.56 0.02 0.00 0.00 177.57 179.30 1i3s h GLN 215 N 0.18 0.00 0.00 1.57 4.20 -0.72 -1.88 115.11 118.46 1i3s h GLN 215 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1i3s h GLN 215 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1i3s h GLN 215 CO -0.01 0.00 -0.76 -1.13 -0.67 0.00 0.00 178.83 176.26 1i3s n SER 216 N -2.69 0.62 -4.77 1.46 3.41 -0.96 -4.95 113.62 105.74 1i3s n SER 216 Ca -0.02 -0.22 -0.37 0.00 -0.26 0.00 0.00 58.87 57.99 1i3s n SER 216 Cb 0.08 0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1i3s n SER 216 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i3s s LEU 217 N -3.58 4.04 -0.19 1.04 1.43 -0.71 -4.44 118.68 116.26 1i3s s LEU 217 Ca 0.07 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 1i3s s LEU 217 Cb 0.15 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1i3s s LEU 217 CO 0.76 -0.88 -0.17 -0.63 0.23 0.00 0.00 176.35 175.65 1i3s s ILE 218 N -1.53 2.23 0.71 -0.59 1.09 0.19 -4.94 121.20 118.36 1i3s s ILE 218 Ca 0.63 -0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 59.11 1i3s s ILE 218 Cb -0.29 -1.98 0.02 0.00 -1.06 0.00 0.00 42.46 39.15 1i3s s ILE 218 CO 0.35 0.47 1.07 -0.76 -0.10 0.00 0.00 174.94 175.97 1i3s s LEU 219 N 1.30 3.00 1.01 2.97 1.02 -1.26 -1.50 118.68 125.21 1i3s s LEU 219 Ca 0.04 1.48 -0.13 0.00 0.02 0.00 0.00 54.13 55.54 1i3s s LEU 219 Cb -0.14 -4.31 0.20 0.00 0.02 0.00 0.00 46.19 41.96 1i3s s LEU 219 CO -0.11 -1.48 1.10 -2.84 0.02 0.00 0.00 176.35 173.03 1i3s s PRO 220 N -5.12 0.31 0.02 1.29 0.02 -1.26 -4.93 135.00 125.34 1i3s s PRO 220 Ca 0.58 0.43 0.03 0.00 0.02 0.00 0.00 61.00 62.07 1i3s s PRO 220 Cb -0.13 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1i3s s PRO 220 CO 0.54 -2.79 -0.04 0.45 -0.33 0.00 0.00 177.00 174.83 1i3s s SER 221 N -3.53 4.81 0.00 2.53 0.15 -1.26 -4.99 113.70 111.41 1i3s s SER 221 Ca 0.66 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 57.43 1i3s s SER 221 Cb -0.18 -1.16 0.38 0.00 -1.71 0.00 0.00 66.02 63.35 1i3s s SER 221 CO 0.57 0.26 1.34 -1.54 1.20 0.00 0.00 173.24 175.07 1i3s n SER 222 N 1.34 1.76 -0.45 5.45 3.41 -1.26 -4.95 113.62 118.92 1i3s n SER 222 Ca -0.14 -1.37 -0.06 0.00 -0.26 0.00 0.00 58.87 57.04 1i3s n SER 222 Cb 0.52 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1i3s n SER 222 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i3s n PHE 223 N -0.04 0.00 -3.63 7.33 3.01 -1.26 -5.00 117.46 117.87 1i3s n PHE 223 Ca 0.12 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.19 1i3s n PHE 223 Cb 0.43 -1.60 -0.11 0.00 -0.01 0.00 0.00 39.48 38.19 1i3s n PHE 223 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1i3s s LYS 224 N -2.06 3.59 0.57 -1.08 1.02 -1.26 -4.96 119.74 115.57 1i3s s LYS 224 Ca 0.00 -0.55 0.09 0.00 0.02 0.00 0.00 55.97 55.53 1i3s s LYS 224 Cb 0.00 -3.60 0.49 0.00 -0.52 0.00 0.00 37.83 34.20 1i3s s LYS 224 CO 0.00 -0.32 1.23 -0.91 -0.92 0.00 0.00 175.35 174.43 1i3s h ASN 225 N 8.37 0.00 -0.00 2.83 -0.26 -2.02 0.13 115.58 124.63 1i3s h ASN 225 Ca -0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 1i3s h ASN 225 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1i3s h ASN 225 CO 0.59 0.00 -0.09 -1.54 -1.06 0.00 0.00 177.43 175.33 1i3s n SER 226 N -2.43 2.31 -4.77 5.81 3.41 -1.26 -4.99 113.62 111.70 1i3s n SER 226 Ca -0.01 -1.71 -0.40 0.00 -0.26 0.00 0.00 58.87 56.50 1i3s n SER 226 Cb 0.73 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.76 1i3s n SER 226 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1i3s s GLU 227 N -2.11 4.00 0.04 4.33 -1.05 0.46 -4.78 118.70 119.59 1i3s s GLU 227 Ca 0.29 2.18 0.03 0.00 -0.15 0.00 0.00 54.97 57.33 1i3s s GLU 227 Cb 0.20 -2.79 -0.02 0.00 -0.44 0.00 0.00 34.13 31.08 1i3s s GLU 227 CO 0.37 -0.48 -0.10 0.15 0.95 0.00 0.00 175.26 176.15 1i3s s LYS 228 N -2.20 0.66 -0.31 -4.83 1.02 0.04 -4.98 119.74 109.14 1i3s s LYS 228 Ca 0.56 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 1i3s s LYS 228 Cb -0.39 -0.56 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 1i3s s LYS 228 CO 0.50 0.13 0.18 0.08 -0.92 0.00 0.00 175.35 175.32 1i3s s VAL 229 N -1.01 4.96 -0.01 3.17 1.01 -1.26 -0.67 120.40 126.60 1i3s s VAL 229 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1i3s s VAL 229 Cb -0.08 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1i3s s VAL 229 CO 0.01 0.11 0.14 -0.76 0.00 0.00 0.00 175.10 174.60 1i3s s LEU 230 N 1.68 4.17 -0.18 3.92 1.02 -0.38 -4.91 118.68 124.00 1i3s s LEU 230 Ca 0.06 0.26 -0.06 0.00 0.02 0.00 0.00 54.13 54.40 1i3s s LEU 230 Cb -0.17 -2.47 -0.04 0.00 0.02 0.00 0.00 46.19 43.53 1i3s s LEU 230 CO 0.08 0.27 0.04 -0.47 0.02 0.00 0.00 176.35 176.29 1i3s s TYR 231 N -1.27 3.18 -0.06 0.29 5.04 -1.26 -1.48 117.35 121.79 1i3s s TYR 231 Ca 0.25 -0.06 0.05 0.00 -2.44 0.00 0.00 57.07 54.87 1i3s s TYR 231 Cb -0.12 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 1i3s s TYR 231 CO 0.17 0.07 -0.20 0.71 -1.34 0.00 0.00 175.55 174.96 1i3s s TYR 232 N 0.47 2.57 -0.43 4.97 1.51 0.16 -5.00 117.35 121.59 1i3s s TYR 232 Ca 0.01 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1i3s s TYR 232 Cb -0.13 -1.63 0.17 0.00 -0.11 0.00 0.00 41.96 40.26 1i3s s TYR 232 CO 0.01 -0.05 0.47 1.21 -1.11 0.00 0.00 175.55 176.08 1i3s s ASN 233 N -0.35 0.47 0.04 2.29 3.84 -1.25 -0.59 114.94 119.38 1i3s s ASN 233 Ca 0.03 -2.26 0.06 0.00 0.21 0.00 0.00 52.86 50.90 1i3s s ASN 233 Cb -0.12 0.55 -0.02 0.00 -0.55 0.00 0.00 41.25 41.10 1i3s s ASN 233 CO 0.02 -0.16 -0.19 -1.83 -2.79 0.00 0.00 177.10 172.16 1i3s s GLU 234 N 0.68 1.27 -0.14 0.43 -1.05 -0.17 -5.00 118.70 114.72 1i3s s GLU 234 Ca 0.28 -0.87 -0.04 0.00 -0.15 0.00 0.00 54.97 54.19 1i3s s GLU 234 Cb -0.03 -1.34 -0.03 0.00 -0.44 0.00 0.00 34.13 32.29 1i3s s GLU 234 CO -0.11 0.34 -0.01 0.00 0.95 0.00 0.00 175.26 176.44 1i3s s ALA 235 N -0.78 3.16 0.00 -0.84 0.00 -1.26 0.06 121.76 122.10 1i3s s ALA 235 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1i3s s ALA 235 Cb -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1i3s s ALA 235 CO 0.01 0.32 0.00 0.45 0.00 0.00 0.00 175.76 176.55 1i3s n SER 236 N 3.10 0.95 0.12 0.00 2.88 0.29 -4.99 113.62 115.98 1i3s n SER 236 Ca -0.18 -0.66 -0.06 0.00 -1.33 0.00 0.00 58.87 56.65 1i3s n SER 236 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1i3s n SER 236 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1i3s h LYS 237 N 0.00 -0.33 0.08 -1.46 -0.00 -2.02 -3.38 116.57 109.46 1i3s h LYS 237 Ca 0.00 0.02 -0.36 0.00 -0.00 0.00 0.00 60.65 60.31 1i3s h LYS 237 Cb 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 32.23 32.27 1i3s h LYS 237 CO 0.00 -0.22 -2.10 0.27 -0.00 0.00 0.00 179.45 177.40 1i3s n ASN 238 N -3.08 1.89 -4.74 7.07 2.04 -1.26 -5.00 115.26 112.19 1i3s n ASN 238 Ca -0.04 0.14 -0.23 0.00 -0.44 0.00 0.00 54.58 54.00 1i3s n ASN 238 Cb 0.14 -0.61 -0.06 0.00 -2.53 0.00 0.00 39.78 36.72 1i3s n ASN 238 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1i3s s LYS 239 N -2.55 2.64 -0.10 -3.83 -2.85 -1.26 -0.99 119.74 110.81 1i3s s LYS 239 Ca -0.23 -1.17 0.04 0.00 -1.00 0.00 0.00 55.97 53.61 1i3s s LYS 239 Cb 0.07 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.44 1i3s s LYS 239 CO 0.74 0.40 -0.22 0.45 0.10 0.00 0.00 175.35 176.81 1i3s s SER 240 N -3.60 2.93 -0.02 0.03 0.15 0.46 0.11 113.70 113.75 1i3s s SER 240 Ca 0.31 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.49 1i3s s SER 240 Cb -0.08 -1.34 -0.01 0.00 -1.71 0.00 0.00 66.02 62.88 1i3s s SER 240 CO 0.22 0.14 -0.20 -0.04 1.20 0.00 0.00 173.24 174.57 1i3s s MET 241 N 0.40 1.71 -0.17 5.44 -1.94 0.11 0.15 119.30 124.99 1i3s s MET 241 Ca -0.18 -0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 53.07 1i3s s MET 241 Cb -0.18 -1.60 0.06 0.00 2.01 0.00 0.00 34.83 35.12 1i3s s MET 241 CO 0.08 0.39 0.04 0.42 -0.01 0.00 0.00 175.02 175.94 1i3s s ILE 242 N -0.35 0.43 0.30 2.53 1.01 0.41 -1.00 121.20 124.53 1i3s s ILE 242 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 1i3s s ILE 242 Cb -0.09 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.52 1i3s s ILE 242 CO 0.00 -0.15 0.80 -0.72 0.00 0.00 0.00 174.94 174.87 1i3s s TYR 243 N 1.91 -0.05 0.18 3.97 1.13 0.24 0.26 117.35 125.00 1i3s s TYR 243 Ca 0.00 -0.48 0.09 0.00 -1.41 0.00 0.00 57.07 55.28 1i3s s TYR 243 Cb -0.16 0.75 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1i3s s TYR 243 CO -0.08 -1.30 -0.19 0.15 -2.51 0.00 0.00 175.55 171.62 1i3s s LYS 244 N -3.10 1.35 0.03 -3.49 1.02 -0.72 0.39 119.74 115.22 1i3s s LYS 244 Ca 0.14 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 54.55 1i3s s LYS 244 Cb -0.05 -1.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.84 1i3s s LYS 244 CO 0.08 0.29 0.22 0.00 -0.92 0.00 0.00 175.35 175.02 1i3s s ALA 245 N -2.12 -0.46 -0.29 5.17 0.00 -0.55 -1.96 121.76 121.56 1i3s s ALA 245 Ca 0.18 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 1i3s s ALA 245 Cb -0.06 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1i3s s ALA 245 CO 0.08 -0.34 0.21 -1.17 0.00 0.00 0.00 175.76 174.54 1i3s s LEU 246 N -1.90 4.08 0.05 0.00 2.96 0.69 -1.25 118.68 123.31 1i3s s LEU 246 Ca -0.07 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1i3s s LEU 246 Cb -0.02 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1i3s s LEU 246 CO -0.02 -0.08 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.09 1i3s s GLU 247 N 1.78 1.51 0.12 1.98 2.02 0.16 -1.10 118.70 125.15 1i3s s GLU 247 Ca 0.07 -1.01 -0.26 0.00 0.02 0.00 0.00 54.97 53.79 1i3s s GLU 247 Cb -0.16 -1.66 0.07 0.00 0.10 0.00 0.00 34.13 32.48 1i3s s GLU 247 CO 0.11 0.42 0.96 -0.59 0.02 0.00 0.00 175.26 176.19 1i3s s PHE 248 N -0.82 -0.16 0.21 1.61 -0.12 -1.03 -0.78 117.98 116.88 1i3s s PHE 248 Ca 0.09 -0.10 0.09 0.00 -0.05 0.00 0.00 56.93 56.96 1i3s s PHE 248 Cb -0.09 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1i3s s PHE 248 CO 0.02 -0.75 -0.08 0.99 -0.05 0.00 0.00 175.22 175.35 1i3s s THR 249 N -3.21 3.20 -0.04 -4.49 2.01 -1.26 -0.10 115.64 111.76 1i3s s THR 249 Ca 0.11 -1.79 -0.02 0.00 0.31 0.00 0.00 61.69 60.30 1i3s s THR 249 Cb -0.01 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1i3s s THR 249 CO -0.00 -0.21 0.09 0.42 -0.69 0.00 0.00 174.62 174.23 1i3s s THR 250 N -1.95 -0.03 0.04 -0.82 -4.23 -0.63 -4.96 115.64 103.06 1i3s s THR 250 Ca 0.27 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1i3s s THR 250 Cb -0.08 -0.15 -0.02 0.00 1.34 0.00 0.00 72.50 73.59 1i3s s THR 250 CO 0.16 0.05 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.60 1i3s s GLU 251 N 0.70 0.59 0.25 3.99 2.02 -1.26 -0.99 118.70 124.00 1i3s s GLU 251 Ca -0.05 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1i3s s GLU 251 Cb -0.08 -0.45 -0.09 0.00 0.10 0.00 0.00 34.13 33.61 1i3s s GLU 251 CO -0.03 0.10 1.19 0.45 0.02 0.00 0.00 175.26 176.99 1i3s s SER 252 N -1.25 7.08 0.01 -0.19 0.15 -1.26 -4.96 113.70 113.28 1i3s s SER 252 Ca -0.05 2.35 0.06 0.00 0.70 0.00 0.00 55.95 59.01 1i3s s SER 252 Cb -0.08 -2.62 -0.24 0.00 -1.71 0.00 0.00 66.02 61.37 1i3s s SER 252 CO 0.01 -0.33 0.86 0.77 1.20 0.00 0.00 173.24 175.75 1i3s h SER 253 N 4.35 0.11 0.00 5.45 4.64 -1.99 -3.35 113.55 122.76 1i3s h SER 253 Ca -0.46 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1i3s h SER 253 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1i3s h SER 253 CO 0.70 1.15 0.15 1.87 -0.87 0.00 0.00 176.83 179.83 1i3s n TRP 254 N -3.25 0.14 0.00 4.77 -0.00 -1.26 -4.91 117.44 112.93 1i3s n TRP 254 Ca -0.13 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 1i3s n TRP 254 Cb 1.02 -0.48 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 1i3s n TRP 254 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i3s n GLY 255 N -1.34 0.92 3.25 5.87 0.00 -1.26 -5.02 105.19 107.61 1i3s n GLY 255 Ca -0.00 -2.24 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 1i3s n GLY 255 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i3s n LYS 256 N -0.56 -4.14 -0.50 1.61 2.85 -1.26 -4.66 118.16 111.50 1i3s n LYS 256 Ca 0.00 0.66 -0.02 0.00 -1.05 0.00 0.00 58.31 57.90 1i3s n LYS 256 Cb 0.00 -5.44 -0.02 0.00 -0.65 0.00 0.00 35.03 28.92 1i3s n LYS 256 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1i3s n SER 257 N -2.41 -0.86 -4.51 -5.58 7.64 -1.26 -4.86 113.62 101.78 1i3s n SER 257 Ca -0.05 -0.56 -0.42 0.00 1.01 0.00 0.00 58.87 58.85 1i3s n SER 257 Cb 0.57 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 1i3s n SER 257 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1i3s s GLU 258 N 2.44 3.18 0.29 1.43 1.03 -1.26 -4.88 118.70 120.94 1i3s s GLU 258 Ca 0.12 -0.53 -0.29 0.00 0.03 0.00 0.00 54.97 54.31 1i3s s GLU 258 Cb -0.08 -4.26 -0.09 0.00 -0.80 0.00 0.00 34.13 28.90 1i3s s GLU 258 CO 0.05 -2.02 1.07 0.15 -1.33 0.00 0.00 175.26 173.18 1i3s s LYS 259 N 5.03 4.60 -0.19 -4.83 1.02 -1.26 -4.30 119.74 119.81 1i3s s LYS 259 Ca 0.31 1.72 0.00 0.00 0.02 0.00 0.00 55.97 58.02 1i3s s LYS 259 Cb -0.11 -3.10 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1i3s s LYS 259 CO 0.12 0.20 -0.18 0.71 -0.92 0.00 0.00 175.35 175.28 1i3s s TYR 260 N -1.24 2.80 -0.68 3.18 4.12 -0.16 -4.98 117.35 120.39 1i3s s TYR 260 Ca 0.46 -1.55 -0.15 0.00 0.02 0.00 0.00 57.07 55.84 1i3s s TYR 260 Cb -0.30 -1.95 0.17 0.00 -1.52 0.00 0.00 41.96 38.37 1i3s s TYR 260 CO 0.38 -0.77 0.65 -0.80 0.02 0.00 0.00 175.55 175.02 1i3s s ASN 261 N 1.31 6.45 0.30 2.29 -0.87 -1.26 -1.60 114.94 121.56 1i3s s ASN 261 Ca 0.05 -2.17 -0.29 0.00 -1.57 0.00 0.00 52.86 48.88 1i3s s ASN 261 Cb -0.13 -2.22 -0.10 0.00 -0.02 0.00 0.00 41.25 38.78 1i3s s ASN 261 CO -0.12 -0.75 1.19 0.26 -2.57 0.00 0.00 177.10 175.11 1i3s s TRP 262 N 1.06 3.35 -0.35 2.20 0.52 0.86 -4.85 118.94 121.73 1i3s s TRP 262 Ca 0.11 1.57 -0.00 0.00 0.02 0.00 0.00 56.10 57.80 1i3s s TRP 262 Cb -0.20 -3.45 0.14 0.00 -1.15 0.00 0.00 33.47 28.80 1i3s s TRP 262 CO -0.02 -1.12 0.20 0.21 0.02 0.00 0.00 176.95 176.25 1i3s s LYS 263 N -1.55 0.58 0.29 4.98 2.20 -1.06 -2.46 119.74 122.71 1i3s s LYS 263 Ca 0.47 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1i3s s LYS 263 Cb -0.35 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 1i3s s LYS 263 CO 0.46 -1.19 0.03 0.44 -0.36 0.00 0.00 175.35 174.73 1i3s n ILE 264 N 4.12 0.00 -4.10 5.43 -5.35 -0.26 -1.13 119.36 118.07 1i3s n ILE 264 Ca 0.10 -1.34 -0.29 0.00 -0.27 0.00 0.00 62.75 60.95 1i3s n ILE 264 Cb 0.37 0.21 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 1i3s n ILE 264 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1i3s n PHE 265 N -0.78 -1.57 -2.67 4.28 3.72 -1.26 -0.22 117.46 118.96 1i3s n PHE 265 Ca -0.11 0.73 -0.43 0.00 -0.05 0.00 0.00 57.45 57.59 1i3s n PHE 265 Cb 0.36 -3.35 -0.02 0.00 -0.94 0.00 0.00 39.48 35.53 1i3s n PHE 265 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3s s ASN 267 N 1.15 0.20 0.00 0.00 0.01 -0.83 -4.91 114.94 110.56 1i3s s ASN 267 Ca 0.48 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 1i3s s ASN 267 Cb -0.18 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1i3s s ASN 267 CO 0.16 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 1i3s n GLY 268 N 2.86 -0.12 3.14 0.66 0.00 0.35 -1.76 105.19 110.32 1i3s n GLY 268 Ca -0.14 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 1i3s n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i3s s PHE 269 N -4.00 1.91 -0.10 1.61 0.40 0.14 -1.95 117.98 115.99 1i3s s PHE 269 Ca 0.00 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1i3s s PHE 269 Cb 0.00 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.24 1i3s s PHE 269 CO 0.00 -0.25 -0.22 0.42 0.70 0.00 0.00 175.22 175.87 1i3s s ILE 270 N 0.22 1.94 -0.16 0.64 1.01 -0.84 -0.44 121.20 123.57 1i3s s ILE 270 Ca -0.09 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1i3s s ILE 270 Cb -0.14 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1i3s s ILE 270 CO 0.04 0.53 -0.08 -0.47 0.00 0.00 0.00 174.94 174.96 1i3s s TYR 271 N 0.45 1.88 -0.84 3.97 5.04 0.12 -0.76 117.35 127.21 1i3s s TYR 271 Ca -0.17 -1.13 -0.25 0.00 -2.44 0.00 0.00 57.07 53.08 1i3s s TYR 271 Cb -0.17 -1.41 0.04 0.00 0.35 0.00 0.00 41.96 40.76 1i3s s TYR 271 CO 0.07 -0.63 1.32 0.34 -1.34 0.00 0.00 175.55 175.31 1i3s s ASP 272 N 1.58 6.29 0.42 4.32 3.68 -0.25 -0.40 116.67 132.30 1i3s s ASP 272 Ca 0.02 -0.87 0.15 0.00 2.13 0.00 0.00 52.55 53.97 1i3s s ASP 272 Cb -0.14 -2.55 1.02 0.00 -1.45 0.00 0.00 42.92 39.79 1i3s s ASP 272 CO -0.09 -1.69 1.92 0.11 0.13 0.00 0.00 175.17 175.56 1i3s h LYS 273 N 9.90 0.44 0.74 4.34 1.57 -1.37 0.42 116.57 132.61 1i3s h LYS 273 Ca -0.10 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1i3s h LYS 273 Cb 1.04 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1i3s h LYS 273 CO 1.33 0.29 -0.36 0.87 -0.57 0.00 0.00 179.45 181.01 1i3s h LYS 274 N 0.45 -0.96 -0.25 3.15 1.57 -1.91 -3.31 116.57 115.31 1i3s h LYS 274 Ca 0.37 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1i3s h LYS 274 Cb 0.79 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1i3s h LYS 274 CO -0.12 -0.63 0.00 -1.13 -0.57 0.00 0.00 179.45 177.00 1i3s n SER 275 N -5.44 2.24 -3.83 0.86 3.41 -1.05 -4.96 113.62 104.85 1i3s n SER 275 Ca -0.13 -1.82 -0.27 0.00 -0.26 0.00 0.00 58.87 56.39 1i3s n SER 275 Cb 0.40 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1i3s n SER 275 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i3s n LYS 276 N 0.70 -5.75 -4.44 4.33 4.76 0.15 -4.52 118.16 113.39 1i3s n LYS 276 Ca 0.17 0.64 -0.35 0.00 -2.87 0.00 0.00 58.31 55.90 1i3s n LYS 276 Cb 0.41 -5.49 -0.10 0.00 -1.84 0.00 0.00 35.03 28.01 1i3s n LYS 276 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1i3s s VAL 277 N -3.38 4.14 -0.11 -0.18 1.01 -1.16 -1.53 120.40 119.19 1i3s s VAL 277 Ca 0.51 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1i3s s VAL 277 Cb -0.25 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1i3s s VAL 277 CO 0.81 0.59 -0.14 -0.22 0.00 0.00 0.00 175.10 176.15 1i3s s LEU 278 N -0.76 2.69 -0.19 3.92 2.96 0.10 -1.09 118.68 126.31 1i3s s LEU 278 Ca 0.12 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1i3s s LEU 278 Cb -0.11 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1i3s s LEU 278 CO 0.02 0.21 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.89 1i3s s TYR 279 N 0.10 2.95 -0.05 5.38 1.51 0.06 -1.06 117.35 126.25 1i3s s TYR 279 Ca -0.06 -0.72 0.06 0.00 -1.01 0.00 0.00 57.07 55.34 1i3s s TYR 279 Cb -0.15 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1i3s s TYR 279 CO 0.05 -0.36 -0.24 0.08 -1.11 0.00 0.00 175.55 173.96 1i3s s VAL 280 N 1.02 1.98 -0.11 0.71 1.01 -0.09 -1.98 120.40 122.93 1i3s s VAL 280 Ca 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1i3s s VAL 280 Cb -0.15 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.62 1i3s s VAL 280 CO 0.00 0.55 0.12 -0.75 0.00 0.00 0.00 175.10 175.02 1i3s s LYS 281 N -0.26 0.03 -0.47 2.72 2.20 -0.82 -0.45 119.74 122.69 1i3s s LYS 281 Ca 0.00 0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.94 1i3s s LYS 281 Cb -0.12 -0.93 0.20 0.00 -1.51 0.00 0.00 37.83 35.47 1i3s s LYS 281 CO 0.02 -0.47 0.45 1.28 -0.36 0.00 0.00 175.35 176.28 1i3s n LEU 282 N 5.30 0.58 -4.47 5.43 4.77 -0.78 -0.50 117.00 127.34 1i3s n LEU 282 Ca -0.05 -4.68 -0.43 0.00 -0.03 0.00 0.00 56.01 50.82 1i3s n LEU 282 Cb 0.50 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 1i3s n LEU 282 CO 0.07 1.93 0.21 -2.28 -1.33 0.00 0.00 177.39 175.99 1i3s s HIS 283 N -0.76 3.13 -1.24 -1.77 2.46 -1.26 -2.20 115.29 113.64 1i3s s HIS 283 Ca 0.33 -0.39 -0.02 0.00 0.47 0.00 0.00 55.06 55.45 1i3s s HIS 283 Cb 0.08 -3.15 -0.01 0.00 -0.13 0.00 0.00 32.58 29.37 1i3s s HIS 283 CO -0.15 -0.82 0.81 0.09 -2.47 0.00 0.00 174.74 172.20 1i3s n ASN 284 N 5.84 -2.20 -4.44 9.88 3.02 -0.07 -4.89 115.26 122.40 1i3s n ASN 284 Ca -0.06 -0.77 -0.26 0.00 -0.03 0.00 0.00 54.58 53.45 1i3s n ASN 284 Cb 0.47 -4.42 -0.11 0.00 -0.61 0.00 0.00 39.78 35.10 1i3s n ASN 284 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1i3s s VAL 285 N -3.55 2.45 0.21 2.41 -7.23 -1.10 -4.14 120.40 109.46 1i3s s VAL 285 Ca 0.08 -2.06 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1i3s s VAL 285 Cb -0.02 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1i3s s VAL 285 CO 0.79 -0.16 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.40 1i3s s THR 286 N -1.80 2.96 0.05 5.32 2.01 -0.56 -0.50 115.64 123.13 1i3s s THR 286 Ca 0.22 -1.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.07 1i3s s THR 286 Cb -0.08 -2.49 0.08 0.00 0.01 0.00 0.00 72.50 70.03 1i3s s THR 286 CO 0.11 -0.20 0.72 -0.55 -0.69 0.00 0.00 174.62 174.01 1i3s s SER 287 N -3.04 -0.52 0.00 3.53 0.15 -0.52 -0.63 113.70 112.67 1i3s s SER 287 Ca 0.26 0.17 0.25 0.00 0.70 0.00 0.00 55.95 57.32 1i3s s SER 287 Cb -0.08 0.51 0.45 0.00 -1.71 0.00 0.00 66.02 65.19 1i3s s SER 287 CO 0.15 -0.76 1.38 0.00 1.20 0.00 0.00 173.24 175.20 1i3s n ALA 288 N -0.02 3.23 -2.53 5.45 0.00 -1.26 -0.60 120.51 124.78 1i3s n ALA 288 Ca -0.15 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 1i3s n ALA 288 Cb 0.62 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1i3s n ALA 288 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3s s LEU 289 N -2.45 4.41 -0.41 0.00 1.43 -1.26 -4.86 118.68 115.54 1i3s s LEU 289 Ca 0.23 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1i3s s LEU 289 Cb 0.19 -3.43 0.13 0.00 0.03 0.00 0.00 46.19 43.11 1i3s s LEU 289 CO 0.52 -0.13 0.22 0.21 0.23 0.00 0.00 176.35 177.41 1i3s s ASN 290 N 0.49 3.49 0.24 2.29 3.84 -1.26 -4.82 114.94 119.20 1i3s s ASN 290 Ca 0.46 -2.46 -0.17 0.00 0.21 0.00 0.00 52.86 50.90 1i3s s ASN 290 Cb -0.21 -0.86 0.01 0.00 -0.55 0.00 0.00 41.25 39.65 1i3s s ASN 290 CO 0.26 -0.29 0.56 -1.59 -2.79 0.00 0.00 177.10 173.26 1i3s s LYS 291 N 0.61 1.56 0.58 0.43 -2.85 -1.26 -4.80 119.74 114.01 1i3s s LYS 291 Ca 0.17 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1i3s s LYS 291 Cb -0.24 0.53 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1i3s s LYS 291 CO -0.00 -0.68 0.82 -0.80 0.10 0.00 0.00 175.35 174.79 1i3s s ASN 292 N -2.94 5.14 -0.18 0.03 0.01 -1.26 -3.19 114.94 112.54 1i3s s ASN 292 Ca 0.15 -0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.27 1i3s s ASN 292 Cb -0.02 -0.80 -0.00 0.00 0.41 0.00 0.00 41.25 40.83 1i3s s ASN 292 CO 0.04 -1.26 -0.11 -0.69 -1.51 0.00 0.00 177.10 173.58 1i3s s VAL 293 N -2.84 2.97 -0.20 1.60 1.01 -1.03 -4.94 120.40 116.96 1i3s s VAL 293 Ca 0.58 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1i3s s VAL 293 Cb -0.10 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1i3s s VAL 293 CO 0.40 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 175.24 1i3s s ILE 294 N 1.10 2.82 0.37 2.22 1.01 -1.26 -0.57 121.20 126.89 1i3s s ILE 294 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1i3s s ILE 294 Cb -0.14 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 1i3s s ILE 294 CO -0.03 0.47 0.00 -0.76 0.00 0.00 0.00 174.94 174.63 1i3s s LEU 295 N 1.39 2.68 0.05 2.97 1.43 -0.15 -4.97 118.68 122.08 1i3s s LEU 295 Ca 0.05 -1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 51.75 1i3s s LEU 295 Cb -0.14 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1i3s s LEU 295 CO -0.07 -0.44 0.32 0.20 0.23 0.00 0.00 176.35 176.59 1i3s s ASN 296 N -3.63 6.54 0.67 2.29 0.01 -1.26 -0.83 114.94 118.73 1i3s s ASN 296 Ca 0.35 0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 53.07 1i3s s ASN 296 Cb 0.08 -2.11 0.05 0.00 0.41 0.00 0.00 41.25 39.68 1i3s s ASN 296 CO 0.17 0.20 0.97 0.42 -1.51 0.00 0.00 177.10 177.35 1i3s s THR 297 N -1.38 2.59 -0.70 1.60 -4.23 0.86 -1.14 115.64 113.25 1i3s s THR 297 Ca 0.31 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.64 1i3s s THR 297 Cb -0.13 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.65 1i3s s THR 297 CO 0.18 -0.10 0.68 -0.38 -0.54 0.00 0.00 174.62 174.46