#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwb s GLU 2 N 0.00 3.40 -0.02 0.00 2.12 -1.26 -1.55 118.70 121.38 3hwb s GLU 2 Ca 0.00 0.87 0.18 0.00 0.36 0.00 0.00 54.97 56.38 3hwb s GLU 2 Cb 0.00 -4.10 -0.27 0.00 0.26 0.00 0.00 34.13 30.02 3hwb s GLU 2 CO 0.00 -1.79 0.40 0.44 -0.54 0.00 0.00 175.26 173.77 3hwb n ILE 3 N 7.09 0.00 -4.16 -3.70 -5.35 -0.76 -4.95 119.36 107.54 3hwb n ILE 3 Ca 0.17 -0.39 -0.18 0.00 -0.27 0.00 0.00 62.75 62.08 3hwb n ILE 3 Cb 0.48 0.13 -0.16 0.00 -1.74 0.00 0.00 39.64 38.36 3hwb n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3hwb s TYR 4 N -3.20 0.61 -0.38 4.28 5.04 -1.11 -5.01 117.35 117.57 3hwb s TYR 4 Ca -0.06 -0.13 0.07 0.00 -2.44 0.00 0.00 57.07 54.50 3hwb s TYR 4 Cb 0.11 -0.50 0.18 0.00 0.35 0.00 0.00 41.96 42.10 3hwb s TYR 4 CO 0.73 -0.11 0.57 1.21 -1.34 0.00 0.00 175.55 176.62 3hwb s ASN 5 N 0.49 -1.01 -0.04 4.32 2.47 -1.26 -0.28 114.94 119.63 3hwb s ASN 5 Ca -0.06 -0.78 -0.02 0.00 0.42 0.00 0.00 52.86 52.42 3hwb s ASN 5 Cb -0.10 1.70 0.02 0.00 -1.45 0.00 0.00 41.25 41.43 3hwb s ASN 5 CO -0.00 -0.21 0.08 -0.75 -3.72 0.00 0.00 177.10 172.50 3hwb s LYS 6 N 1.93 0.04 -0.45 0.43 2.20 -0.70 -4.99 119.74 118.20 3hwb s LYS 6 Ca 0.15 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.89 3hwb s LYS 6 Cb -0.07 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 3hwb s LYS 6 CO -0.10 -0.11 0.28 -0.40 -0.36 0.00 0.00 175.35 174.66 3hwb n ASP 7 N 3.79 -1.91 0.00 1.43 3.85 -1.26 -2.23 116.55 120.22 3hwb n ASP 7 Ca -0.22 -0.50 0.00 0.00 -0.71 0.00 0.00 54.79 53.36 3hwb n ASP 7 Cb 0.54 -0.69 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 3hwb n ASP 7 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hwb n GLY 8 N -1.23 2.66 3.51 6.12 0.00 -1.26 -5.04 105.19 109.94 3hwb n GLY 8 Ca -0.09 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3hwb n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwb s ASN 9 N 0.13 4.51 -0.05 1.61 2.47 -0.95 -0.92 114.94 121.75 3hwb s ASN 9 Ca 0.00 -0.13 0.04 0.00 0.42 0.00 0.00 52.86 53.19 3hwb s ASN 9 Cb 0.00 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.41 3hwb s ASN 9 CO 0.00 0.27 -0.16 -1.59 -3.72 0.00 0.00 177.10 171.90 3hwb s LYS 10 N -0.26 1.78 -0.12 0.43 -2.85 -0.10 -1.72 119.74 116.89 3hwb s LYS 10 Ca 0.03 -0.57 0.01 0.00 -1.00 0.00 0.00 55.97 54.44 3hwb s LYS 10 Cb -0.13 -1.52 -0.01 0.00 -2.06 0.00 0.00 37.83 34.11 3hwb s LYS 10 CO 0.03 0.19 -0.15 0.08 0.10 0.00 0.00 175.35 175.60 3hwb s VAL 11 N 0.17 2.87 -0.39 1.79 1.01 0.62 -1.64 120.40 124.82 3hwb s VAL 11 Ca -0.06 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3hwb s VAL 11 Cb -0.12 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.18 3hwb s VAL 11 CO 0.03 0.53 0.12 -0.62 0.00 0.00 0.00 175.10 175.16 3hwb s ASP 12 N 0.32 4.72 -0.35 3.32 -1.08 -1.16 -1.82 116.67 120.62 3hwb s ASP 12 Ca -0.12 -2.36 -0.26 0.00 -0.52 0.00 0.00 52.55 49.29 3hwb s ASP 12 Cb -0.16 -1.66 0.01 0.00 -1.46 0.00 0.00 42.92 39.65 3hwb s ASP 12 CO 0.06 -0.36 0.91 -0.22 0.52 0.00 0.00 175.17 176.08 3hwb s LEU 13 N 0.63 4.02 0.33 -1.34 2.96 -0.60 -0.99 118.68 123.69 3hwb s LEU 13 Ca 0.12 0.63 0.08 0.00 -0.22 0.00 0.00 54.13 54.74 3hwb s LEU 13 Cb -0.21 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 3hwb s LEU 13 CO -0.06 -0.80 -0.05 -0.72 -1.32 0.00 0.00 176.35 173.40 3hwb s TYR 14 N 3.36 2.23 0.00 5.38 -0.85 -0.29 -0.46 117.35 126.73 3hwb s TYR 14 Ca 0.37 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 3hwb s TYR 14 Cb -0.12 -1.35 0.00 0.00 0.38 0.00 0.00 41.96 40.87 3hwb s TYR 14 CO 0.17 0.41 0.00 0.41 -1.52 0.00 0.00 175.55 175.02 3hwb n GLY 15 N -0.74 1.33 3.07 5.49 0.00 -1.13 -2.14 105.19 111.07 3hwb n GLY 15 Ca -0.05 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 3hwb n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hwb s LYS 16 N -2.00 0.23 -0.28 1.61 -2.85 -1.08 -1.75 119.74 113.63 3hwb s LYS 16 Ca 0.00 0.24 -0.07 0.00 -1.00 0.00 0.00 55.97 55.14 3hwb s LYS 16 Cb 0.00 0.11 -0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3hwb s LYS 16 CO 0.00 -0.03 0.08 0.00 0.10 0.00 0.00 175.35 175.50 3hwb s ALA 17 N 0.05 3.11 -0.36 0.59 0.00 -0.31 -0.22 121.76 124.62 3hwb s ALA 17 Ca -0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 3hwb s ALA 17 Cb -0.02 -2.15 0.07 0.00 0.00 0.00 0.00 23.12 21.03 3hwb s ALA 17 CO 0.00 -0.78 0.12 0.08 0.00 0.00 0.00 175.76 175.18 3hwb s VAL 18 N 1.55 3.35 -1.07 0.00 1.01 -0.37 -2.21 120.40 122.66 3hwb s VAL 18 Ca 0.04 -1.61 -0.22 0.00 0.00 0.00 0.00 61.98 60.19 3hwb s VAL 18 Cb -0.16 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.18 3hwb s VAL 18 CO 0.03 -0.39 1.55 -0.83 0.00 0.00 0.00 175.10 175.46 3hwb s GLY 19 N 1.58 1.25 -0.09 4.51 0.00 0.52 -2.54 107.32 112.55 3hwb s GLY 19 Ca 0.01 -2.35 0.01 0.00 0.00 0.00 0.00 44.72 42.40 3hwb s GLY 19 CO -0.01 2.76 -0.12 -2.27 0.00 0.00 0.00 173.10 173.46 3hwb s LEU 20 N 5.25 2.86 0.00 0.66 2.96 -1.26 -1.36 118.68 127.79 3hwb s LEU 20 Ca 0.50 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3hwb s LEU 20 Cb 0.00 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3hwb s LEU 20 CO -0.05 0.28 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.93 3hwb s HIS 21 N -0.35 0.44 -0.11 5.38 5.65 -0.23 -1.00 115.29 125.07 3hwb s HIS 21 Ca 0.04 -0.12 -0.02 0.00 0.25 0.00 0.00 55.06 55.21 3hwb s HIS 21 Cb -0.13 -0.28 -0.03 0.00 -1.18 0.00 0.00 32.58 30.97 3hwb s HIS 21 CO 0.02 -0.02 -0.04 0.71 -0.65 0.00 0.00 174.74 174.76 3hwb s TYR 22 N -0.24 3.02 -0.18 3.88 1.51 0.73 -1.35 117.35 124.71 3hwb s TYR 22 Ca 0.00 -0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 55.96 3hwb s TYR 22 Cb -0.03 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 3hwb s TYR 22 CO -0.00 0.18 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.42 3hwb s PHE 23 N -0.28 2.81 0.21 2.71 0.40 0.20 -1.72 117.98 122.31 3hwb s PHE 23 Ca 0.05 -1.24 -0.10 0.00 -0.60 0.00 0.00 56.93 55.03 3hwb s PHE 23 Cb -0.13 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3hwb s PHE 23 CO 0.02 -0.61 0.37 -1.12 0.70 0.00 0.00 175.22 174.58 3hwb s SER 24 N 1.12 -0.03 0.28 1.36 0.01 -1.26 -0.82 113.70 114.36 3hwb s SER 24 Ca 0.01 -0.92 -0.29 0.00 1.31 0.00 0.00 55.95 56.05 3hwb s SER 24 Cb -0.14 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.50 3hwb s SER 24 CO -0.05 -1.00 1.08 -0.75 0.41 0.00 0.00 173.24 172.92 3hwb s LYS 25 N -4.00 4.66 2.44 12.44 2.20 -1.26 -4.83 119.74 131.39 3hwb s LYS 25 Ca 0.21 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 3hwb s LYS 25 Cb 0.02 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3hwb s LYS 25 CO 0.05 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 3hwb n GLY 26 N 1.22 -0.95 0.40 5.54 0.00 -1.26 -3.91 105.19 106.23 3hwb n GLY 26 Ca -0.01 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.92 3hwb n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwb n ASN 27 N 0.09 1.22 -0.84 1.61 3.02 -1.26 -4.96 115.26 114.13 3hwb n ASN 27 Ca 0.00 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 3hwb n ASN 27 Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3hwb n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hwb n GLY 28 N 1.07 -0.84 0.00 7.41 0.00 -1.25 -4.76 105.19 106.82 3hwb n GLY 28 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3hwb n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hwb n GLU 29 N -0.15 0.00 -1.13 1.61 2.13 -1.26 -4.65 120.64 117.19 3hwb n GLU 29 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 3hwb n GLU 29 Cb 0.00 -0.17 0.15 0.00 0.27 0.00 0.00 31.44 31.69 3hwb n GLU 29 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3hwb n ASN 30 N -1.45 3.56 -4.72 4.31 5.15 -1.26 -4.87 115.26 115.97 3hwb n ASN 30 Ca 0.00 -3.79 -0.27 0.00 -0.60 0.00 0.00 54.58 49.92 3hwb n ASN 30 Cb 0.00 -0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.62 3hwb n ASN 30 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3hwb n SER 31 N -1.02 2.86 -0.03 1.20 3.41 -1.26 -1.59 113.62 117.18 3hwb n SER 31 Ca 0.39 -2.91 -0.13 0.00 -0.26 0.00 0.00 58.87 55.96 3hwb n SER 31 Cb 0.99 0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.88 3hwb n SER 31 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3hwb h TYR 32 N 0.79 0.01 -0.00 7.33 3.20 -1.70 -3.39 116.97 123.21 3hwb h TYR 32 Ca -0.35 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3hwb h TYR 32 Cb 1.24 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3hwb h TYR 32 CO 0.00 0.61 -0.10 0.41 -1.64 0.00 0.00 178.16 177.45 3hwb n GLY 33 N 0.56 0.47 0.00 1.82 0.00 -1.26 -5.00 105.19 101.77 3hwb n GLY 33 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hwb n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwb n GLY 34 N 0.92 -2.20 2.84 -0.02 0.00 -1.26 -5.04 105.19 100.43 3hwb n GLY 34 Ca 0.01 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 3hwb n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwb s ASN 35 N -2.32 -0.00 0.00 1.61 3.04 -1.26 -4.38 114.94 111.63 3hwb s ASN 35 Ca 0.00 0.11 0.00 0.00 0.04 0.00 0.00 52.86 53.01 3hwb s ASN 35 Cb 0.00 0.03 0.00 0.00 -1.54 0.00 0.00 41.25 39.74 3hwb s ASN 35 CO 0.00 -0.10 0.00 0.61 -3.04 0.00 0.00 177.10 174.57 3hwb n GLY 36 N 3.85 0.75 3.70 1.21 0.00 -0.70 -4.76 105.19 109.24 3hwb n GLY 36 Ca -0.23 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 3hwb n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwb s ASP 37 N -4.00 7.27 -0.23 1.61 2.15 -1.26 -0.19 116.67 122.02 3hwb s ASP 37 Ca 0.00 1.55 0.13 0.00 0.43 0.00 0.00 52.55 54.66 3hwb s ASP 37 Cb 0.00 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.53 3hwb s ASP 37 CO 0.00 -0.33 1.18 0.23 -0.17 0.00 0.00 175.17 176.09 3hwb n MET 38 N 4.37 2.34 -2.14 4.34 2.81 -0.17 -4.85 117.12 123.81 3hwb n MET 38 Ca 0.06 -3.58 -0.42 0.00 -1.81 0.00 0.00 57.70 51.95 3hwb n MET 38 Cb 0.50 -1.74 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 3hwb n MET 38 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hwb s THR 39 N -3.58 3.30 0.05 2.03 2.01 -1.04 -4.44 115.64 113.96 3hwb s THR 39 Ca 0.42 0.88 -0.02 0.00 0.31 0.00 0.00 61.69 63.28 3hwb s THR 39 Cb 0.38 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 3hwb s THR 39 CO -0.03 0.05 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.22 3hwb s TYR 40 N 1.50 0.45 0.07 4.92 1.13 -1.05 -0.53 117.35 123.83 3hwb s TYR 40 Ca 0.66 -0.94 0.05 0.00 -1.41 0.00 0.00 57.07 55.43 3hwb s TYR 40 Cb -0.37 -0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 40.13 3hwb s TYR 40 CO 0.30 -0.36 -0.15 0.00 -2.51 0.00 0.00 175.55 172.83 3hwb s ALA 41 N -3.53 1.23 0.10 9.51 0.00 0.19 -1.24 121.76 128.01 3hwb s ALA 41 Ca 0.03 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.10 3hwb s ALA 41 Cb 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3hwb s ALA 41 CO -0.09 0.19 -0.26 1.03 0.00 0.00 0.00 175.76 176.63 3hwb s ARG 42 N -1.66 1.57 -0.16 0.00 1.81 0.69 -0.10 118.95 121.10 3hwb s ARG 42 Ca -0.01 -1.25 -0.11 0.00 -1.72 0.00 0.00 55.73 52.64 3hwb s ARG 42 Cb -0.10 -1.94 0.05 0.00 -0.45 0.00 0.00 34.95 32.52 3hwb s ARG 42 CO 0.02 0.48 0.41 -1.17 -0.68 0.00 0.00 175.30 174.36 3hwb s LEU 43 N -1.74 0.08 -0.18 2.53 2.96 -1.08 -2.63 118.68 118.61 3hwb s LEU 43 Ca 0.13 0.87 -0.35 0.00 -0.22 0.00 0.00 54.13 54.56 3hwb s LEU 43 Cb -0.10 1.36 0.15 0.00 0.50 0.00 0.00 46.19 48.10 3hwb s LEU 43 CO 0.05 -0.18 1.41 -0.83 -1.32 0.00 0.00 176.35 175.47 3hwb s GLY 44 N 1.04 -0.36 0.09 7.98 0.00 -0.91 -1.17 107.32 113.98 3hwb s GLY 44 Ca -0.07 1.39 0.10 0.00 0.00 0.00 0.00 44.72 46.14 3hwb s GLY 44 CO -0.09 0.38 -0.27 -0.11 0.00 0.00 0.00 173.10 173.02 3hwb s PHE 45 N -2.05 2.31 -0.43 1.90 -0.12 -0.66 -1.13 117.98 117.80 3hwb s PHE 45 Ca 0.13 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3hwb s PHE 45 Cb 0.04 -1.32 0.13 0.00 -0.63 0.00 0.00 43.02 41.24 3hwb s PHE 45 CO -0.05 0.23 0.21 0.21 -0.05 0.00 0.00 175.22 175.78 3hwb s LYS 46 N -1.66 1.32 0.17 1.99 2.20 -0.16 -1.77 119.74 121.83 3hwb s LYS 46 Ca 0.13 -1.97 -0.04 0.00 -0.36 0.00 0.00 55.97 53.73 3hwb s LYS 46 Cb -0.10 -2.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3hwb s LYS 46 CO 0.04 -1.12 0.40 0.20 -0.36 0.00 0.00 175.35 174.51 3hwb s GLY 47 N 0.45 2.13 -0.15 5.54 0.00 -0.45 -3.01 107.32 111.83 3hwb s GLY 47 Ca 0.16 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 44.18 3hwb s GLY 47 CO -0.03 -0.53 0.37 1.85 0.00 0.00 0.00 173.10 174.76 3hwb s GLU 48 N -2.85 0.37 -0.03 2.90 2.12 -0.65 -2.14 118.70 118.42 3hwb s GLU 48 Ca 0.41 0.65 0.03 0.00 0.36 0.00 0.00 54.97 56.42 3hwb s GLU 48 Cb -0.12 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.31 3hwb s GLU 48 CO 0.26 -0.12 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.67 3hwb s THR 49 N 0.96 0.90 -0.51 -1.70 -1.32 0.54 -0.93 115.64 113.58 3hwb s THR 49 Ca -0.06 -0.43 -0.26 0.00 -1.21 0.00 0.00 61.69 59.73 3hwb s THR 49 Cb -0.07 -0.79 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 3hwb s THR 49 CO -0.07 0.27 1.00 -1.10 -2.21 0.00 0.00 174.62 172.51 3hwb s GLN 50 N 0.13 3.49 0.03 7.08 -0.21 -0.09 -1.13 119.66 128.95 3hwb s GLN 50 Ca -0.03 0.09 -0.21 0.00 0.02 0.00 0.00 55.36 55.23 3hwb s GLN 50 Cb -0.09 -3.98 -0.16 0.00 1.00 0.00 0.00 33.01 29.79 3hwb s GLN 50 CO 0.01 -1.40 1.31 0.82 -2.12 0.00 0.00 175.29 173.90 3hwb h ILE 51 N 6.09 1.36 0.00 1.08 2.04 -1.65 -3.46 117.51 122.97 3hwb h ILE 51 Ca -0.25 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3hwb h ILE 51 Cb 1.07 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3hwb h ILE 51 CO 1.08 0.40 0.00 -0.46 0.00 0.00 0.00 178.15 179.17 3hwb n ASN 52 N -4.55 1.04 -0.04 1.72 0.23 -1.15 -5.01 115.26 107.50 3hwb n ASN 52 Ca -0.07 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.86 3hwb n ASN 52 Cb 0.38 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.00 3hwb n ASN 52 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3hwb h SER 53 N 0.00 0.23 -0.19 0.53 0.87 -2.04 -3.38 113.55 109.57 3hwb h SER 53 Ca 0.00 -0.44 -0.20 0.00 -1.23 0.00 0.00 61.79 59.92 3hwb h SER 53 Cb 0.00 -0.06 -0.31 0.00 -0.44 0.00 0.00 62.40 61.58 3hwb h SER 53 CO 0.00 0.62 -0.92 -0.90 -0.53 0.00 0.00 176.83 175.10 3hwb n ASP 54 N -4.70 1.76 -3.92 6.23 5.68 -1.26 -5.03 116.55 115.31 3hwb n ASP 54 Ca -0.07 -2.63 -0.20 0.00 -0.50 0.00 0.00 54.79 51.40 3hwb n ASP 54 Cb 0.29 -0.40 -0.16 0.00 -1.14 0.00 0.00 41.12 39.71 3hwb n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hwb s LEU 55 N -2.04 1.49 -0.05 -2.12 2.96 -1.26 -0.04 118.68 117.63 3hwb s LEU 55 Ca 0.35 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3hwb s LEU 55 Cb 0.37 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.62 3hwb s LEU 55 CO -0.09 -0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.94 3hwb s THR 56 N 0.66 0.83 -0.09 3.68 2.01 0.15 -1.70 115.64 121.18 3hwb s THR 56 Ca -0.09 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 3hwb s THR 56 Cb -0.12 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3hwb s THR 56 CO 0.00 0.28 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.32 3hwb s GLY 57 N 0.61 1.69 0.05 4.40 0.00 -0.29 0.34 107.32 114.12 3hwb s GLY 57 Ca -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 3hwb s GLY 57 CO 0.02 -0.53 -0.02 -2.52 0.00 0.00 0.00 173.10 170.04 3hwb s TYR 58 N -0.53 0.46 -0.21 1.90 -0.85 0.22 -0.34 117.35 118.01 3hwb s TYR 58 Ca 0.08 -0.95 -0.15 0.00 -0.52 0.00 0.00 57.07 55.52 3hwb s TYR 58 Cb -0.12 -0.34 0.06 0.00 0.38 0.00 0.00 41.96 41.94 3hwb s TYR 58 CO 0.02 -0.35 0.53 0.20 -1.52 0.00 0.00 175.55 174.43 3hwb s GLY 59 N -2.65 -0.43 -0.01 5.49 0.00 -0.91 -0.34 107.32 108.48 3hwb s GLY 59 Ca 0.03 1.70 0.02 0.00 0.00 0.00 0.00 44.72 46.46 3hwb s GLY 59 CO -0.08 1.63 -0.05 1.62 0.00 0.00 0.00 173.10 176.22 3hwb s GLN 60 N 0.88 0.49 -0.01 2.90 0.74 0.20 -1.35 119.66 123.52 3hwb s GLN 60 Ca -0.05 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.21 3hwb s GLN 60 Cb -0.05 -0.49 -0.00 0.00 1.10 0.00 0.00 33.01 33.56 3hwb s GLN 60 CO -0.07 0.08 -0.06 -0.46 -0.55 0.00 0.00 175.29 174.23 3hwb s TRP 61 N 0.07 0.52 -0.02 1.67 -0.00 -0.73 -1.22 118.94 119.23 3hwb s TRP 61 Ca -0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 56.10 55.99 3hwb s TRP 61 Cb -0.04 -0.34 0.01 0.00 -0.00 0.00 0.00 33.47 33.10 3hwb s TRP 61 CO -0.00 -0.01 0.04 -2.00 -0.00 0.00 0.00 176.95 174.97 3hwb s GLU 62 N -0.11 0.04 0.04 5.86 2.12 0.83 -1.65 118.70 125.83 3hwb s GLU 62 Ca 0.02 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.47 3hwb s GLU 62 Cb -0.02 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.33 3hwb s GLU 62 CO -0.00 -0.03 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.08 3hwb s TYR 63 N 0.16 1.22 -0.37 5.30 5.04 -0.32 0.04 117.35 128.42 3hwb s TYR 63 Ca -0.01 -0.36 -0.08 0.00 -2.44 0.00 0.00 57.07 54.18 3hwb s TYR 63 Cb -0.02 -0.72 0.05 0.00 0.35 0.00 0.00 41.96 41.62 3hwb s TYR 63 CO -0.00 0.03 0.18 1.21 -1.34 0.00 0.00 175.55 175.62 3hwb s ASN 64 N -1.14 5.49 -0.04 4.32 2.47 0.25 -2.64 114.94 123.65 3hwb s ASN 64 Ca 0.01 -1.27 -0.13 0.00 0.42 0.00 0.00 52.86 51.90 3hwb s ASN 64 Cb -0.08 -1.93 -0.05 0.00 -1.45 0.00 0.00 41.25 37.74 3hwb s ASN 64 CO 0.01 -0.41 0.34 -0.36 -3.72 0.00 0.00 177.10 172.96 3hwb s PHE 65 N 1.43 3.68 -0.17 0.43 0.08 0.85 -2.73 117.98 121.55 3hwb s PHE 65 Ca 0.01 0.87 -0.07 0.00 0.12 0.00 0.00 56.93 57.86 3hwb s PHE 65 Cb -0.21 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 3hwb s PHE 65 CO 0.03 0.64 0.05 -0.65 -0.10 0.00 0.00 175.22 175.19 3hwb s GLN 66 N -0.97 3.87 0.00 0.44 -1.52 -1.26 0.52 119.66 120.74 3hwb s GLN 66 Ca 0.21 -0.35 0.21 0.00 -1.95 0.00 0.00 55.36 53.48 3hwb s GLN 66 Cb -0.15 -3.16 0.10 0.00 -0.22 0.00 0.00 33.01 29.57 3hwb s GLN 66 CO 0.11 0.32 1.11 0.41 -0.25 0.00 0.00 175.29 176.99 3hwb n GLY 67 N 3.37 0.45 0.58 3.09 0.00 0.31 -4.29 105.19 108.70 3hwb n GLY 67 Ca -0.17 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.38 3hwb n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hwb n ASN 68 N 0.71 1.85 -4.90 1.61 6.94 -0.81 -4.85 115.26 115.81 3hwb n ASN 68 Ca 0.11 -1.58 -0.34 0.00 -0.02 0.00 0.00 54.58 52.74 3hwb n ASN 68 Cb 0.49 0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 37.88 3hwb n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3hwb s ASN 69 N -2.04 6.38 0.88 0.53 0.01 -1.26 -5.02 114.94 114.41 3hwb s ASN 69 Ca 0.34 0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 52.76 3hwb s ASN 69 Cb 0.21 -2.02 0.12 0.00 0.41 0.00 0.00 41.25 39.96 3hwb s ASN 69 CO 0.34 0.30 1.13 -0.94 -1.51 0.00 0.00 177.10 176.43 3hwb s SER 70 N -1.70 3.82 0.00 -1.22 1.04 -1.26 -4.94 113.70 109.44 3hwb s SER 70 Ca 0.24 1.01 0.20 0.00 0.48 0.00 0.00 55.95 57.88 3hwb s SER 70 Cb -0.12 -1.61 1.17 0.00 0.10 0.00 0.00 66.02 65.55 3hwb s SER 70 CO 0.15 -2.36 1.76 -0.62 0.98 0.00 0.00 173.24 173.15 3hwb n GLU 71 N -3.65 1.03 0.00 4.02 1.02 -1.26 -3.76 120.64 118.05 3hwb n GLU 71 Ca 0.07 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3hwb n GLU 71 Cb 0.59 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 3hwb n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hwb n GLY 72 N 0.83 0.88 0.14 0.62 0.00 -1.26 -4.89 105.19 101.50 3hwb n GLY 72 Ca 0.15 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3hwb n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwb h ALA 73 N -1.94 0.67 -0.89 4.61 0.00 -2.03 -3.34 119.26 116.33 3hwb h ALA 73 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3hwb h ALA 73 Cb 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.52 3hwb h ALA 73 CO 0.00 0.00 0.65 -0.40 0.00 0.00 0.00 179.25 179.50 3hwb n ASP 74 N -2.75 4.77 0.06 0.00 5.75 -1.26 -4.59 116.55 118.53 3hwb n ASP 74 Ca 0.02 -3.50 -0.11 0.00 -0.01 0.00 0.00 54.79 51.19 3hwb n ASP 74 Cb 0.53 -0.86 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3hwb n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hwb h ALA 75 N 1.33 0.51 -0.36 2.12 0.00 -1.69 -3.28 119.26 117.90 3hwb h ALA 75 Ca 0.56 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hwb h ALA 75 Cb 2.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.89 3hwb h ALA 75 CO 1.12 0.81 0.00 1.04 0.00 0.00 0.00 179.25 182.22 3hwb n GLN 76 N -3.77 2.74 -2.48 0.00 1.13 -1.26 -4.87 117.38 108.86 3hwb n GLN 76 Ca -0.05 -1.68 -0.42 0.00 -1.94 0.00 0.00 57.00 52.91 3hwb n GLN 76 Cb 0.77 -1.71 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 3hwb n GLN 76 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3hwb s THR 77 N -1.79 4.28 0.00 5.09 2.01 -1.24 -3.10 115.64 120.89 3hwb s THR 77 Ca 0.30 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.91 3hwb s THR 77 Cb 0.20 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.68 3hwb s THR 77 CO 0.13 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 3hwb n GLY 78 N 3.27 0.41 3.63 4.40 0.00 -1.26 -4.71 105.19 110.93 3hwb n GLY 78 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3hwb n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hwb s ASN 79 N -2.09 6.35 0.20 1.61 0.01 -1.18 -4.61 114.94 115.23 3hwb s ASN 79 Ca 0.00 0.42 -0.20 0.00 -0.71 0.00 0.00 52.86 52.36 3hwb s ASN 79 Cb 0.00 -2.24 0.04 0.00 0.41 0.00 0.00 41.25 39.47 3hwb s ASN 79 CO 0.00 -0.18 0.59 -1.59 -1.51 0.00 0.00 177.10 174.40 3hwb s LYS 80 N 1.93 1.41 -0.32 -0.60 0.00 -1.11 -5.02 119.74 116.04 3hwb s LYS 80 Ca 0.18 -0.74 -0.23 0.00 0.00 0.00 0.00 55.97 55.18 3hwb s LYS 80 Cb -0.15 0.56 0.00 0.00 0.00 0.00 0.00 37.83 38.24 3hwb s LYS 80 CO 0.09 -0.62 0.79 0.99 0.00 0.00 0.00 175.35 176.60 3hwb s THR 81 N -3.83 4.78 -0.10 3.79 2.01 -1.26 -0.58 115.64 120.44 3hwb s THR 81 Ca 0.06 1.11 -0.26 0.00 0.31 0.00 0.00 61.69 62.91 3hwb s THR 81 Cb -0.02 -4.16 -0.22 0.00 0.01 0.00 0.00 72.50 68.11 3hwb s THR 81 CO -0.05 -0.30 0.85 0.03 -0.69 0.00 0.00 174.62 174.46 3hwb h ARG 82 N 8.21 -0.02 -4.96 4.92 3.08 -0.72 -3.47 114.38 121.42 3hwb h ARG 82 Ca -0.24 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.42 3hwb h ARG 82 Cb 1.10 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.90 3hwb h ARG 82 CO 0.89 0.74 -0.78 -0.51 -1.07 0.00 0.00 179.97 179.25 3hwb s LEU 83 N -8.55 2.14 -0.39 3.04 1.43 -0.98 -4.75 118.68 110.63 3hwb s LEU 83 Ca -0.16 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3hwb s LEU 83 Cb -0.01 -0.46 0.18 0.00 0.03 0.00 0.00 46.19 45.93 3hwb s LEU 83 CO 0.62 0.01 0.69 0.00 0.23 0.00 0.00 176.35 177.90 3hwb s ALA 84 N -0.74 -2.69 0.05 4.21 0.00 -0.74 -0.12 121.76 121.73 3hwb s ALA 84 Ca -0.00 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 3hwb s ALA 84 Cb -0.07 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.30 3hwb s ALA 84 CO 0.01 -2.22 0.24 -0.59 0.00 0.00 0.00 175.76 173.20 3hwb s PHE 85 N 1.98 -0.00 -0.01 0.00 -0.12 -0.36 0.58 117.98 120.05 3hwb s PHE 85 Ca 0.15 -0.22 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 3hwb s PHE 85 Cb -0.04 0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.37 3hwb s PHE 85 CO -0.10 -0.49 -0.08 0.00 -0.05 0.00 0.00 175.22 174.50 3hwb s ALA 86 N -2.81 0.70 0.22 1.99 0.00 -0.97 -0.63 121.76 120.26 3hwb s ALA 86 Ca -0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3hwb s ALA 86 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3hwb s ALA 86 CO -0.05 0.16 0.41 0.20 0.00 0.00 0.00 175.76 176.48 3hwb s GLY 87 N -0.13 0.54 -0.08 0.00 0.00 0.54 -2.13 107.32 106.07 3hwb s GLY 87 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.88 3hwb s GLY 87 CO -0.00 -0.70 -0.18 1.08 0.00 0.00 0.00 173.10 173.30 3hwb s LEU 88 N -3.01 1.86 -0.14 0.66 1.43 0.71 -0.61 118.68 119.58 3hwb s LEU 88 Ca 0.21 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3hwb s LEU 88 Cb 0.01 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 3hwb s LEU 88 CO 0.06 0.10 -0.10 -0.75 0.23 0.00 0.00 176.35 175.89 3hwb s LYS 89 N 0.49 3.48 -0.28 1.70 2.20 0.15 -0.79 119.74 126.69 3hwb s LYS 89 Ca -0.16 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.83 3hwb s LYS 89 Cb -0.17 -2.72 0.08 0.00 -1.51 0.00 0.00 37.83 33.51 3hwb s LYS 89 CO 0.06 0.23 0.01 -0.47 -0.36 0.00 0.00 175.35 174.82 3hwb s TYR 90 N 0.35 2.65 0.00 4.03 5.04 -0.90 0.32 117.35 128.84 3hwb s TYR 90 Ca -0.09 -2.13 0.00 0.00 -2.44 0.00 0.00 57.07 52.41 3hwb s TYR 90 Cb -0.15 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.14 3hwb s TYR 90 CO 0.05 -0.85 0.00 0.00 -1.34 0.00 0.00 175.55 173.40 3hwb n ALA 91 N 4.59 0.00 -2.06 3.97 0.00 0.95 -1.55 120.51 126.40 3hwb n ALA 91 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3hwb n ALA 91 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.91 3hwb n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hwb n ASP 92 N 2.10 6.57 -0.05 0.00 8.00 -1.26 -4.45 116.55 127.45 3hwb n ASP 92 Ca 0.00 -3.80 -0.06 0.00 0.71 0.00 0.00 54.79 51.64 3hwb n ASP 92 Cb 0.00 -0.84 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 3hwb n ASP 92 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hwb n VAL 93 N -0.55 0.54 0.00 2.53 0.31 -0.60 -4.32 118.33 116.24 3hwb n VAL 93 Ca 0.50 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 3hwb n VAL 93 Cb 0.42 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3hwb n VAL 93 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hwb n GLY 94 N 3.00 1.80 3.20 2.92 0.00 -1.23 -4.85 105.19 110.04 3hwb n GLY 94 Ca -0.16 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 3hwb n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hwb s SER 95 N 0.00 2.57 -0.10 1.61 1.04 0.11 -2.11 113.70 116.82 3hwb s SER 95 Ca 0.00 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.03 3hwb s SER 95 Cb 0.00 -0.62 0.01 0.00 0.10 0.00 0.00 66.02 65.51 3hwb s SER 95 CO 0.00 0.21 -0.18 0.12 0.98 0.00 0.00 173.24 174.38 3hwb s PHE 96 N -0.15 2.11 0.02 5.02 5.36 0.03 -0.06 117.98 130.32 3hwb s PHE 96 Ca -0.01 -0.95 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 3hwb s PHE 96 Cb -0.12 -1.48 -0.02 0.00 -0.34 0.00 0.00 43.02 41.06 3hwb s PHE 96 CO 0.02 -0.45 -0.05 0.16 -1.46 0.00 0.00 175.22 173.44 3hwb s ASP 97 N 0.78 0.46 0.01 6.13 1.47 -0.70 -0.21 116.67 124.60 3hwb s ASP 97 Ca -0.10 -0.45 0.02 0.00 1.18 0.00 0.00 52.55 53.19 3hwb s ASP 97 Cb -0.16 0.06 -0.01 0.00 -0.34 0.00 0.00 42.92 42.47 3hwb s ASP 97 CO 0.01 -0.22 -0.07 -0.47 0.68 0.00 0.00 175.17 175.11 3hwb s TYR 98 N -1.23 0.58 -1.91 2.11 5.04 -0.90 -0.92 117.35 120.12 3hwb s TYR 98 Ca -0.11 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 3hwb s TYR 98 Cb -0.09 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.86 3hwb s TYR 98 CO -0.00 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.59 3hwb n GLY 99 N 2.55 0.39 3.60 8.97 0.00 -1.18 -2.28 105.19 117.24 3hwb n GLY 99 Ca -0.15 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 3hwb n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hwb s ARG 100 N -2.00 3.91 0.20 1.61 3.52 0.19 -0.87 118.95 125.52 3hwb s ARG 100 Ca 0.00 0.21 -0.13 0.00 -0.13 0.00 0.00 55.73 55.67 3hwb s ARG 100 Cb 0.00 -3.71 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 3hwb s ARG 100 CO 0.00 -0.49 0.43 1.21 -0.81 0.00 0.00 175.30 175.64 3hwb s ASN 101 N 1.63 -0.11 0.50 -2.12 3.84 -0.67 -1.80 114.94 116.21 3hwb s ASN 101 Ca 0.22 -0.73 -0.23 0.00 0.21 0.00 0.00 52.86 52.33 3hwb s ASN 101 Cb -0.15 0.53 -0.06 0.00 -0.55 0.00 0.00 41.25 41.02 3hwb s ASN 101 CO 0.11 -1.02 1.29 -0.31 -2.79 0.00 0.00 177.10 174.37 3hwb s TYR 102 N -3.94 2.54 0.90 0.43 2.02 -1.26 -0.92 117.35 117.12 3hwb s TYR 102 Ca 0.15 1.43 -0.12 0.00 -0.37 0.00 0.00 57.07 58.16 3hwb s TYR 102 Cb 0.01 -3.64 0.13 0.00 -0.40 0.00 0.00 41.96 38.05 3hwb s TYR 102 CO 0.01 -2.34 1.14 0.20 -1.57 0.00 0.00 175.55 173.00 3hwb s GLY 103 N -1.07 1.58 0.44 0.71 0.00 0.06 -4.86 107.32 104.17 3hwb s GLY 103 Ca 0.67 -0.54 0.27 0.00 0.00 0.00 0.00 44.72 45.12 3hwb s GLY 103 CO 0.43 0.01 1.77 -0.39 0.00 0.00 0.00 173.10 174.92 3hwb h VAL 104 N -1.45 0.00 0.00 1.40 -1.51 -1.89 -2.88 116.25 109.92 3hwb h VAL 104 Ca -0.50 -0.71 -0.04 0.00 -1.23 0.00 0.00 66.70 64.23 3hwb h VAL 104 Cb 1.33 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 3hwb h VAL 104 CO 0.62 0.00 -0.17 0.58 -1.23 0.00 0.00 177.57 177.38 3hwb h VAL 105 N 0.00 0.31 0.00 7.19 2.07 -1.72 -3.01 116.25 121.09 3hwb h VAL 105 Ca 0.00 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 3hwb h VAL 105 Cb 0.75 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3hwb h VAL 105 CO 0.00 0.16 -0.07 0.22 0.02 0.00 0.00 177.57 177.90 3hwb h TYR 106 N 0.00 0.00 0.00 1.57 3.20 -1.50 -0.03 116.97 120.21 3hwb h TYR 106 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hwb h TYR 106 Cb 1.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.28 3hwb h TYR 106 CO 0.00 0.07 0.00 -0.44 -1.64 0.00 0.00 178.16 176.15 3hwb h ASP 107 N 0.00 0.00 0.00 -2.11 3.32 -1.64 0.36 116.42 116.35 3hwb h ASP 107 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3hwb h ASP 107 Cb 0.48 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 3hwb h ASP 107 CO 0.01 0.00 -2.26 0.00 -1.72 0.00 0.00 179.24 175.27 3hwb n ALA 108 N -2.06 1.52 0.34 3.45 0.00 -0.53 -4.60 120.51 118.63 3hwb n ALA 108 Ca -0.02 -0.94 0.12 0.00 0.00 0.00 0.00 53.44 52.61 3hwb n ALA 108 Cb 0.15 0.03 0.24 0.00 0.00 0.00 0.00 19.45 19.87 3hwb n ALA 108 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hwb h LEU 109 N -0.13 0.00 0.00 0.00 3.38 -0.97 -3.16 115.31 114.43 3hwb h LEU 109 Ca -0.51 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3hwb h LEU 109 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 3hwb h LEU 109 CO -0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.02 3hwb n GLY 110 N 1.16 -1.02 0.31 0.83 0.00 0.13 -3.12 105.19 103.48 3hwb n GLY 110 Ca 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3hwb n GLY 110 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hwb h TYR 111 N 0.00 1.12 0.00 1.61 -1.99 -1.77 -3.27 116.97 112.67 3hwb h TYR 111 Ca 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.55 3hwb h TYR 111 Cb 0.23 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.66 3hwb h TYR 111 CO 0.00 0.99 -1.23 0.25 -0.00 0.00 0.00 178.16 178.17 3hwb n THR 112 N -4.19 0.00 -1.80 -2.88 -2.24 -1.18 -4.70 114.28 97.30 3hwb n THR 112 Ca 0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3hwb n THR 112 Cb 0.33 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3hwb n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hwb n ASP 113 N -1.68 3.74 -0.15 3.42 2.03 -1.19 -4.29 116.55 118.42 3hwb n ASP 113 Ca 0.02 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.52 3hwb n ASP 113 Cb 0.38 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.21 3hwb n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3hwb n MET 114 N 6.88 0.22 -2.74 -0.67 2.81 -1.26 -4.96 117.12 117.40 3hwb n MET 114 Ca 0.50 -0.78 -0.33 0.00 -1.81 0.00 0.00 57.70 55.28 3hwb n MET 114 Cb 0.41 -0.56 -0.06 0.00 -0.71 0.00 0.00 33.22 32.30 3hwb n MET 114 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hwb s LEU 115 N -0.15 3.93 0.56 4.03 1.43 -1.26 -4.95 118.68 122.27 3hwb s LEU 115 Ca 0.01 1.77 0.34 0.00 -1.03 0.00 0.00 54.13 55.22 3hwb s LEU 115 Cb 0.01 -4.52 1.49 0.00 0.03 0.00 0.00 46.19 43.20 3hwb s LEU 115 CO 0.00 -0.47 1.79 1.55 0.23 0.00 0.00 176.35 179.45 3hwb h PRO 116 N 1.86 0.00 0.00 1.29 0.13 -1.97 -3.38 132.00 129.94 3hwb h PRO 116 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hwb h PRO 116 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hwb h PRO 116 CO 0.61 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.47 3hwb n GLU 117 N -4.03 0.00 0.00 0.86 4.07 -1.26 -5.00 120.64 115.28 3hwb n GLU 117 Ca 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 3hwb n GLU 117 Cb 1.15 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.53 3hwb n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3hwb n PHE 118 N -2.67 0.00 -0.16 4.31 3.72 -1.26 -5.08 117.46 116.32 3hwb n PHE 118 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3hwb n PHE 118 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3hwb n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hwb n GLY 119 N 5.00 -2.45 3.21 1.37 0.00 -1.26 -4.11 105.19 106.94 3hwb n GLY 119 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 3hwb n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwb n GLY 120 N -2.42 -0.30 0.19 -0.02 0.00 -1.26 -4.90 105.19 96.47 3hwb n GLY 120 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.12 3hwb n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hwb h ASP 121 N -2.02 0.00 1.23 1.61 5.19 -1.96 -2.53 116.42 117.94 3hwb h ASP 121 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 3hwb h ASP 121 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3hwb h ASP 121 CO 0.46 0.35 0.00 0.35 -3.12 0.00 0.00 179.24 177.28 3hwb n THR 122 N -4.09 0.68 -1.97 0.35 -2.24 -1.26 -4.12 114.28 101.62 3hwb n THR 122 Ca -0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3hwb n THR 122 Cb 0.39 -0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3hwb n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwb n ALA 123 N -1.79 5.67 -1.87 6.98 0.00 -0.96 -4.86 120.51 123.69 3hwb n ALA 123 Ca 0.04 -4.06 -0.41 0.00 0.00 0.00 0.00 53.44 49.02 3hwb n ALA 123 Cb 0.36 -3.25 -0.04 0.00 0.00 0.00 0.00 19.45 16.53 3hwb n ALA 123 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hwb s TYR 124 N 1.69 3.43 0.21 0.00 2.02 -1.26 -4.67 117.35 118.78 3hwb s TYR 124 Ca 0.46 1.54 -0.30 0.00 -0.37 0.00 0.00 57.07 58.40 3hwb s TYR 124 Cb 0.13 -3.41 -0.09 0.00 -0.40 0.00 0.00 41.96 38.19 3hwb s TYR 124 CO -0.05 -1.02 1.21 -1.12 -1.57 0.00 0.00 175.55 173.00 3hwb s SER 125 N -0.42 7.06 -1.29 2.29 0.01 -1.26 -2.94 113.70 117.14 3hwb s SER 125 Ca 0.48 2.30 -0.03 0.00 1.31 0.00 0.00 55.95 60.02 3hwb s SER 125 Cb -0.34 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.29 3hwb s SER 125 CO 0.41 -0.38 0.93 0.47 0.41 0.00 0.00 173.24 175.08 3hwb n ASP 126 N 2.19 -2.65 -3.51 2.44 8.00 -0.41 -4.92 116.55 117.68 3hwb n ASP 126 Ca 0.03 -0.69 -0.27 0.00 0.71 0.00 0.00 54.79 54.58 3hwb n ASP 126 Cb 0.44 -4.64 -0.10 0.00 -0.02 0.00 0.00 41.12 36.80 3hwb n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hwb n ASP 127 N -3.06 1.31 0.00 -2.24 2.03 -1.23 -4.53 116.55 108.82 3hwb n ASP 127 Ca -0.22 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.25 3hwb n ASP 127 Cb 0.64 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3hwb n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hwb n PHE 128 N 2.02 0.00 -0.16 -0.67 3.72 -1.26 -2.52 117.46 118.59 3hwb n PHE 128 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 3hwb n PHE 128 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3hwb n PHE 128 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3hwb n PHE 129 N 0.00 0.00 0.09 1.38 3.72 -1.26 -4.85 117.46 116.54 3hwb n PHE 129 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3hwb n PHE 129 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3hwb n PHE 129 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3hwb h VAL 130 N 0.16 1.29 -1.10 -4.37 -1.51 -1.77 -2.35 116.25 106.60 3hwb h VAL 130 Ca 0.00 -2.86 0.00 0.00 -1.23 0.00 0.00 66.70 62.61 3hwb h VAL 130 Cb 0.08 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3hwb h VAL 130 CO 0.00 0.74 0.00 0.61 -1.23 0.00 0.00 177.57 177.69 3hwb n GLY 131 N 1.31 5.76 3.63 5.19 0.00 -1.15 -3.98 105.19 115.95 3hwb n GLY 131 Ca -0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3hwb n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwb s ARG 132 N 1.43 3.99 0.06 1.61 0.52 -1.26 -0.76 118.95 124.54 3hwb s ARG 132 Ca 0.00 1.21 0.07 0.00 -0.52 0.00 0.00 55.73 56.50 3hwb s ARG 132 Cb 0.00 -3.82 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 3hwb s ARG 132 CO 0.00 -1.02 -0.21 0.14 0.02 0.00 0.00 175.30 174.24 3hwb s VAL 133 N 4.06 1.66 0.07 3.52 -7.23 -0.10 -1.29 120.40 121.09 3hwb s VAL 133 Ca 0.52 -1.29 -0.20 0.00 -1.81 0.00 0.00 61.98 59.20 3hwb s VAL 133 Cb -0.15 -1.47 -0.07 0.00 0.56 0.00 0.00 36.38 35.25 3hwb s VAL 133 CO 0.20 0.12 0.59 -0.83 -0.31 0.00 0.00 175.10 174.87 3hwb s GLY 134 N -1.39 2.69 -0.19 2.32 0.00 -1.26 -1.67 107.32 107.81 3hwb s GLY 134 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 3hwb s GLY 134 CO 0.02 0.53 0.17 0.61 0.00 0.00 0.00 173.10 174.43 3hwb n GLY 135 N 1.79 0.53 3.07 0.20 0.00 -0.04 -4.72 105.19 106.02 3hwb n GLY 135 Ca -0.10 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3hwb n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hwb s VAL 136 N -3.07 1.63 -0.53 1.61 -7.23 -0.49 -1.48 120.40 110.83 3hwb s VAL 136 Ca 0.08 -0.71 -0.19 0.00 -1.81 0.00 0.00 61.98 59.35 3hwb s VAL 136 Cb -0.01 -1.49 0.07 0.00 0.56 0.00 0.00 36.38 35.51 3hwb s VAL 136 CO 0.13 0.47 0.65 0.00 -0.31 0.00 0.00 175.10 176.04 3hwb s ALA 137 N 1.09 3.40 -0.22 1.32 0.00 -1.11 -3.08 121.76 123.15 3hwb s ALA 137 Ca -0.03 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 49.96 3hwb s ALA 137 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3hwb s ALA 137 CO -0.04 -2.11 0.01 0.99 0.00 0.00 0.00 175.76 174.61 3hwb s THR 138 N 2.63 3.95 -0.27 0.00 2.01 -0.10 -1.30 115.64 122.56 3hwb s THR 138 Ca 0.14 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 3hwb s THR 138 Cb -0.21 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3hwb s THR 138 CO 0.10 0.40 0.15 -0.47 -0.69 0.00 0.00 174.62 174.11 3hwb s TYR 139 N 1.26 3.17 -0.13 4.92 5.04 0.59 -1.73 117.35 130.47 3hwb s TYR 139 Ca 0.04 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.61 3hwb s TYR 139 Cb -0.15 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.84 3hwb s TYR 139 CO 0.01 -0.23 -0.21 1.03 -1.34 0.00 0.00 175.55 174.81 3hwb s ARG 140 N 1.71 2.91 -0.08 4.97 0.52 0.92 -1.03 118.95 128.87 3hwb s ARG 140 Ca 0.07 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3hwb s ARG 140 Cb -0.16 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 3hwb s ARG 140 CO 0.08 -0.01 -0.13 1.21 0.02 0.00 0.00 175.30 176.47 3hwb s ASN 141 N 0.80 4.07 -0.08 0.23 3.84 -0.59 0.05 114.94 123.26 3hwb s ASN 141 Ca -0.08 -0.22 0.02 0.00 0.21 0.00 0.00 52.86 52.79 3hwb s ASN 141 Cb -0.16 -1.10 -0.02 0.00 -0.55 0.00 0.00 41.25 39.42 3hwb s ASN 141 CO -0.01 0.29 -0.15 -0.44 -2.79 0.00 0.00 177.10 174.00 3hwb s SER 142 N -0.41 3.95 -1.40 -4.21 0.01 -1.26 -3.13 113.70 107.25 3hwb s SER 142 Ca 0.05 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 3hwb s SER 142 Cb -0.12 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 64.98 3hwb s SER 142 CO 0.02 0.27 0.15 0.59 0.41 0.00 0.00 173.24 174.68 3hwb n ASN 143 N 2.81 -4.90 -3.62 2.44 3.02 -1.03 -3.29 115.26 110.69 3hwb n ASN 143 Ca -0.18 -0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.11 3hwb n ASN 143 Cb 0.52 -4.08 0.01 0.00 -0.61 0.00 0.00 39.78 35.62 3hwb n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3hwb n PHE 144 N -3.83 -2.34 -1.91 3.10 7.35 -0.75 -0.98 117.46 118.10 3hwb n PHE 144 Ca -0.16 0.96 -0.17 0.00 -0.76 0.00 0.00 57.45 57.32 3hwb n PHE 144 Cb 0.63 -2.70 -0.04 0.00 0.35 0.00 0.00 39.48 37.71 3hwb n PHE 144 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3hwb n PHE 145 N -1.88 -0.65 -2.81 -5.13 3.72 -1.21 -1.61 117.46 107.89 3hwb n PHE 145 Ca -0.22 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.10 3hwb n PHE 145 Cb 0.67 -3.19 0.03 0.00 -0.94 0.00 0.00 39.48 36.04 3hwb n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hwb n GLY 146 N -0.59 0.45 0.68 1.37 0.00 -0.80 -4.80 105.19 101.50 3hwb n GLY 146 Ca -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hwb n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hwb n LEU 147 N -1.94 0.95 -4.12 0.99 4.77 -0.15 -4.99 117.00 112.52 3hwb n LEU 147 Ca -0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 3hwb n LEU 147 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 3hwb n LEU 147 CO 0.21 0.07 -0.16 -0.69 -1.33 0.00 0.00 177.39 175.49 3hwb s VAL 148 N -1.82 3.31 -0.08 4.08 1.01 -0.62 -5.02 120.40 121.25 3hwb s VAL 148 Ca 0.00 -2.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 3hwb s VAL 148 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3hwb s VAL 148 CO 0.00 -0.70 1.68 -0.62 0.00 0.00 0.00 175.10 175.45 3hwb s ASP 149 N 1.74 6.58 0.00 3.32 -1.08 -1.26 -2.58 116.67 123.39 3hwb s ASP 149 Ca 0.09 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.26 3hwb s ASP 149 Cb -0.23 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 3hwb s ASP 149 CO -0.04 -1.01 0.00 0.61 0.52 0.00 0.00 175.17 175.24 3hwb n GLY 150 N 4.28 2.78 3.65 2.66 0.00 -1.26 -4.90 105.19 112.40 3hwb n GLY 150 Ca 0.18 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3hwb n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwb s LEU 151 N 0.00 4.12 -0.05 0.99 2.96 -1.07 -2.65 118.68 122.99 3hwb s LEU 151 Ca 0.00 1.69 0.03 0.00 -0.22 0.00 0.00 54.13 55.63 3hwb s LEU 151 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3hwb s LEU 151 CO 0.00 -0.89 -0.15 0.20 -1.32 0.00 0.00 176.35 174.19 3hwb s ASN 152 N 2.56 1.96 0.05 3.68 0.01 0.14 -1.81 114.94 121.54 3hwb s ASN 152 Ca 0.60 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 52.46 3hwb s ASN 152 Cb -0.23 -0.70 -0.02 0.00 0.41 0.00 0.00 41.25 40.70 3hwb s ASN 152 CO 0.20 0.10 -0.12 0.72 -1.51 0.00 0.00 177.10 176.48 3hwb s PHE 153 N 0.31 1.05 0.01 2.20 -0.71 -1.18 0.48 117.98 120.13 3hwb s PHE 153 Ca -0.09 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 3hwb s PHE 153 Cb -0.13 -0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 41.06 3hwb s PHE 153 CO 0.03 0.01 0.01 0.00 -1.34 0.00 0.00 175.22 173.94 3hwb s ALA 154 N -1.12 -0.00 -0.01 1.99 0.00 0.41 -1.54 121.76 121.48 3hwb s ALA 154 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3hwb s ALA 154 Cb -0.09 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hwb s ALA 154 CO 0.01 -0.12 -0.11 0.54 0.00 0.00 0.00 175.76 176.08 3hwb s VAL 155 N -1.01 0.90 -0.01 0.00 0.11 -0.20 -0.95 120.40 119.25 3hwb s VAL 155 Ca -0.11 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 3hwb s VAL 155 Cb -0.07 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 3hwb s VAL 155 CO -0.00 0.26 -0.12 -1.58 -3.33 0.00 0.00 175.10 170.33 3hwb s GLN 156 N -0.19 1.02 -0.48 1.54 0.74 -0.44 -0.30 119.66 121.55 3hwb s GLN 156 Ca 0.03 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.02 3hwb s GLN 156 Cb -0.05 -0.97 0.13 0.00 1.10 0.00 0.00 33.01 33.21 3hwb s GLN 156 CO -0.00 0.24 0.25 0.71 -0.55 0.00 0.00 175.29 175.93 3hwb s TYR 157 N -0.19 3.47 0.06 1.67 2.02 -0.42 -0.41 117.35 123.55 3hwb s TYR 157 Ca 0.03 -2.84 -0.31 0.00 -0.37 0.00 0.00 57.07 53.59 3hwb s TYR 157 Cb -0.06 -3.04 -0.06 0.00 -0.40 0.00 0.00 41.96 38.40 3hwb s TYR 157 CO -0.00 -0.87 1.20 -1.17 -1.57 0.00 0.00 175.55 173.13 3hwb s LEU 158 N 0.37 4.37 0.51 -1.29 2.96 0.53 -2.76 118.68 123.38 3hwb s LEU 158 Ca 0.14 2.01 -0.05 0.00 -0.22 0.00 0.00 54.13 56.00 3hwb s LEU 158 Cb -0.22 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 3hwb s LEU 158 CO -0.04 -0.47 0.82 -0.83 -1.32 0.00 0.00 176.35 174.51 3hwb s GLY 159 N 1.05 1.53 0.05 7.98 0.00 -0.55 -1.83 107.32 115.56 3hwb s GLY 159 Ca 0.59 -0.55 -0.31 0.00 0.00 0.00 0.00 44.72 44.45 3hwb s GLY 159 CO 0.29 -0.36 1.18 1.25 0.00 0.00 0.00 173.10 175.46 3hwb s LYS 160 N -4.81 4.44 -0.58 2.90 2.20 -1.25 -4.61 119.74 118.03 3hwb s LYS 160 Ca 0.49 1.73 0.04 0.00 -0.36 0.00 0.00 55.97 57.88 3hwb s LYS 160 Cb -0.10 -3.36 0.17 0.00 -1.51 0.00 0.00 37.83 33.02 3hwb s LYS 160 CO 0.45 -0.24 0.42 -0.80 -0.36 0.00 0.00 175.35 174.82 3hwb s ASN 161 N 1.07 3.47 -0.66 1.43 0.01 0.68 -4.98 114.94 115.97 3hwb s ASN 161 Ca 0.58 -3.50 -0.27 0.00 -0.71 0.00 0.00 52.86 48.96 3hwb s ASN 161 Cb -0.28 -1.15 0.01 0.00 0.41 0.00 0.00 41.25 40.23 3hwb s ASN 161 CO 0.29 -0.13 1.53 -1.61 -1.51 0.00 0.00 177.10 175.68 3hwb s GLU 162 N -0.79 2.99 0.57 -0.60 2.02 -1.26 -2.50 118.70 119.12 3hwb s GLU 162 Ca 0.28 0.22 0.07 0.00 0.02 0.00 0.00 54.97 55.55 3hwb s GLU 162 Cb -0.02 -4.25 0.06 0.00 0.10 0.00 0.00 34.13 30.02 3hwb s GLU 162 CO -0.17 -2.34 0.55 1.03 0.02 0.00 0.00 175.26 174.34 3hwb s ARG 163 N 6.21 2.25 0.27 1.61 0.52 -1.26 -5.04 118.95 123.51 3hwb s ARG 163 Ca 0.51 -1.93 0.07 0.00 -0.52 0.00 0.00 55.73 53.86 3hwb s ARG 163 Cb -0.10 -2.27 0.37 0.00 0.52 0.00 0.00 34.95 33.46 3hwb s ARG 163 CO 0.19 -0.74 1.63 -0.44 0.02 0.00 0.00 175.30 175.96 3hwb h ASP 164 N 0.52 0.21 -3.79 0.23 3.32 -1.98 -3.44 116.42 111.49 3hwb h ASP 164 Ca -0.34 -0.10 -0.68 0.00 0.02 0.00 0.00 57.03 55.93 3hwb h ASP 164 Cb 1.30 -0.06 -0.20 0.00 0.22 0.00 0.00 39.33 40.59 3hwb h ASP 164 CO 0.51 0.69 -0.74 0.28 -1.72 0.00 0.00 179.24 178.27 3hwb s THR 165 N -3.90 3.34 0.23 0.35 -1.32 -1.26 -5.03 115.64 108.05 3hwb s THR 165 Ca -0.04 -0.81 0.21 0.00 -1.21 0.00 0.00 61.69 59.84 3hwb s THR 165 Cb 0.13 -2.40 0.18 0.00 -1.51 0.00 0.00 72.50 68.90 3hwb s THR 165 CO 0.78 0.45 1.83 0.00 -2.21 0.00 0.00 174.62 175.47 3hwb h ALA 166 N 4.81 1.10 -0.83 11.08 0.00 -1.87 -2.79 119.26 130.76 3hwb h ALA 166 Ca -0.48 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.23 3hwb h ALA 166 Cb 1.16 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3hwb h ALA 166 CO 0.51 0.37 0.50 -0.09 0.00 0.00 0.00 179.25 180.54 3hwb h ARG 167 N 0.00 0.87 -0.02 0.00 9.65 -1.95 -2.90 114.38 120.03 3hwb h ARG 167 Ca -0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3hwb h ARG 167 Cb 0.73 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 3hwb h ARG 167 CO 0.04 0.58 -0.32 0.54 2.80 0.00 0.00 179.97 183.61 3hwb n ARG 168 N -4.67 1.57 -3.08 0.20 5.12 -1.17 -4.79 116.66 109.84 3hwb n ARG 168 Ca 0.12 -1.27 -0.33 0.00 -1.93 0.00 0.00 57.85 54.45 3hwb n ARG 168 Cb 0.20 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 3hwb n ARG 168 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3hwb s SER 169 N -2.27 6.84 0.12 0.55 0.01 -1.06 -4.85 113.70 113.05 3hwb s SER 169 Ca 0.21 1.36 -0.23 0.00 1.31 0.00 0.00 55.95 58.61 3hwb s SER 169 Cb 0.18 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 64.07 3hwb s SER 169 CO 0.47 -0.19 0.57 0.54 0.41 0.00 0.00 173.24 175.04 3hwb s ASN 170 N -2.17 -0.51 0.00 2.44 4.22 -1.04 -4.87 114.94 113.00 3hwb s ASN 170 Ca 0.54 0.04 0.00 0.00 -2.14 0.00 0.00 52.86 51.30 3hwb s ASN 170 Cb -0.11 0.56 0.00 0.00 1.28 0.00 0.00 41.25 42.98 3hwb s ASN 170 CO 0.17 -0.89 0.00 0.61 -2.04 0.00 0.00 177.10 174.95 3hwb n GLY 171 N -0.15 2.78 3.76 0.45 0.00 -0.56 -0.23 105.19 111.24 3hwb n GLY 171 Ca -0.17 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 3hwb n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hwb s ASP 172 N -0.77 7.00 0.07 1.61 1.11 -1.26 -3.93 116.67 120.50 3hwb s ASP 172 Ca 0.00 2.45 -0.26 0.00 0.18 0.00 0.00 52.55 54.92 3hwb s ASP 172 Cb 0.00 -2.63 0.08 0.00 1.07 0.00 0.00 42.92 41.44 3hwb s ASP 172 CO 0.00 -0.38 0.71 -0.83 1.18 0.00 0.00 175.17 175.85 3hwb s GLY 173 N -0.43 -0.56 -0.06 0.21 0.00 -0.76 -0.17 107.32 105.55 3hwb s GLY 173 Ca 0.49 0.83 0.04 0.00 0.00 0.00 0.00 44.72 46.08 3hwb s GLY 173 CO 0.45 0.37 -0.18 0.14 0.00 0.00 0.00 173.10 173.88 3hwb s VAL 174 N -3.07 1.53 0.36 1.40 1.01 -0.40 -0.35 120.40 120.88 3hwb s VAL 174 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3hwb s VAL 174 Cb -0.01 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 3hwb s VAL 174 CO -0.08 0.44 0.06 -0.83 0.00 0.00 0.00 175.10 174.69 3hwb s GLY 175 N 0.20 2.26 0.02 4.51 0.00 0.45 -1.93 107.32 112.82 3hwb s GLY 175 Ca -0.09 -1.86 -0.28 0.00 0.00 0.00 0.00 44.72 42.50 3hwb s GLY 175 CO 0.04 -1.87 0.80 -0.32 0.00 0.00 0.00 173.10 171.75 3hwb s GLY 176 N -3.55 -0.50 -0.14 0.20 0.00 0.13 -1.33 107.32 102.12 3hwb s GLY 176 Ca 0.33 1.00 -0.12 0.00 0.00 0.00 0.00 44.72 45.92 3hwb s GLY 176 CO 0.15 0.41 0.38 -1.35 0.00 0.00 0.00 173.10 172.69 3hwb s SER 177 N -2.31 -0.40 -0.08 1.64 1.04 -0.12 -0.46 113.70 113.00 3hwb s SER 177 Ca 0.02 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.24 3hwb s SER 177 Cb -0.01 0.76 0.01 0.00 0.10 0.00 0.00 66.02 66.88 3hwb s SER 177 CO -0.07 -0.14 -0.15 -0.63 0.98 0.00 0.00 173.24 173.23 3hwb s ILE 178 N 0.38 1.40 0.06 -1.02 1.01 0.43 -0.45 121.20 123.01 3hwb s ILE 178 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3hwb s ILE 178 Cb -0.04 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3hwb s ILE 178 CO -0.01 0.42 -0.07 -0.94 0.00 0.00 0.00 174.94 174.34 3hwb s SER 179 N 0.72 0.85 -0.05 3.58 1.04 0.18 0.03 113.70 120.04 3hwb s SER 179 Ca -0.13 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 3hwb s SER 179 Cb -0.16 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.05 3hwb s SER 179 CO 0.03 -0.31 0.13 -0.47 0.98 0.00 0.00 173.24 173.60 3hwb s TYR 180 N -2.17 -0.14 -0.05 5.02 5.04 0.55 0.27 117.35 125.87 3hwb s TYR 180 Ca -0.03 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.01 3hwb s TYR 180 Cb -0.05 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.26 3hwb s TYR 180 CO -0.02 -0.11 -0.12 -1.21 -1.34 0.00 0.00 175.55 172.75 3hwb s GLU 181 N 0.55 1.50 -0.18 4.97 2.02 -1.08 -0.67 118.70 125.81 3hwb s GLU 181 Ca -0.04 -0.41 -0.07 0.00 0.02 0.00 0.00 54.97 54.46 3hwb s GLU 181 Cb -0.06 -1.29 0.08 0.00 0.10 0.00 0.00 34.13 32.96 3hwb s GLU 181 CO -0.02 0.09 0.39 -0.47 0.02 0.00 0.00 175.26 175.26 3hwb s TYR 182 N 0.43 -0.68 -1.42 1.61 5.04 -0.46 -4.46 117.35 117.42 3hwb s TYR 182 Ca -0.09 1.36 -0.05 0.00 -2.44 0.00 0.00 57.07 55.84 3hwb s TYR 182 Cb -0.13 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.45 3hwb s TYR 182 CO 0.02 -0.42 0.72 0.39 -1.34 0.00 0.00 175.55 174.93 3hwb n GLU 183 N 5.02 -4.62 0.00 4.97 -0.58 -1.26 -1.88 120.64 122.30 3hwb n GLU 183 Ca -0.13 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3hwb n GLU 183 Cb 0.51 -5.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.26 3hwb n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hwb n GLY 184 N -1.69 2.55 3.77 0.62 0.00 -1.26 -4.98 105.19 104.20 3hwb n GLY 184 Ca -0.18 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3hwb n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwb s PHE 185 N -1.24 2.88 -0.04 1.61 0.08 -0.78 -1.61 117.98 118.87 3hwb s PHE 185 Ca 0.00 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 58.58 3hwb s PHE 185 Cb 0.00 -3.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.14 3hwb s PHE 185 CO 0.00 -1.43 0.09 0.20 -0.10 0.00 0.00 175.22 173.99 3hwb s GLY 186 N -1.45 0.02 -0.01 4.36 0.00 0.16 -1.35 107.32 109.06 3hwb s GLY 186 Ca 0.64 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.93 3hwb s GLY 186 CO 0.33 0.84 -0.18 -1.50 0.00 0.00 0.00 173.10 172.58 3hwb s ILE 187 N 1.09 1.45 0.01 0.90 2.07 0.15 -0.60 121.20 126.27 3hwb s ILE 187 Ca -0.09 -0.83 -0.05 0.00 -1.41 0.00 0.00 60.65 58.26 3hwb s ILE 187 Cb -0.12 -1.21 -0.00 0.00 0.13 0.00 0.00 42.46 41.25 3hwb s ILE 187 CO -0.04 0.37 0.10 0.54 -1.91 0.00 0.00 174.94 173.99 3hwb s VAL 188 N -0.49 0.09 -0.16 4.00 0.11 -0.49 -0.33 120.40 123.13 3hwb s VAL 188 Ca 0.07 -0.74 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 3hwb s VAL 188 Cb -0.07 -0.39 0.08 0.00 -1.53 0.00 0.00 36.38 34.47 3hwb s VAL 188 CO -0.00 -0.41 0.27 -0.83 -3.33 0.00 0.00 175.10 170.80 3hwb s GLY 189 N -1.39 -0.13 0.19 6.54 0.00 0.10 -1.53 107.32 111.10 3hwb s GLY 189 Ca -0.15 0.79 0.11 0.00 0.00 0.00 0.00 44.72 45.47 3hwb s GLY 189 CO 0.01 2.11 -0.22 0.00 0.00 0.00 0.00 173.10 175.00 3hwb s ALA 190 N 2.42 2.39 -0.11 3.20 0.00 0.31 -0.43 121.76 129.54 3hwb s ALA 190 Ca 0.04 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.23 3hwb s ALA 190 Cb -0.13 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.74 3hwb s ALA 190 CO -0.10 0.37 0.43 -0.47 0.00 0.00 0.00 175.76 175.99 3hwb s TYR 191 N -1.79 -0.42 -0.21 0.00 5.04 0.39 -2.02 117.35 118.34 3hwb s TYR 191 Ca 0.19 0.93 -0.08 0.00 -2.44 0.00 0.00 57.07 55.68 3hwb s TYR 191 Cb -0.07 0.17 0.09 0.00 0.35 0.00 0.00 41.96 42.50 3hwb s TYR 191 CO 0.09 -0.31 0.46 0.20 -1.34 0.00 0.00 175.55 174.64 3hwb s GLY 192 N -0.33 -0.41 -0.06 8.97 0.00 0.13 0.18 107.32 115.80 3hwb s GLY 192 Ca -0.05 1.65 0.05 0.00 0.00 0.00 0.00 44.72 46.38 3hwb s GLY 192 CO 0.03 2.32 -0.24 0.00 0.00 0.00 0.00 173.10 175.21 3hwb s ALA 193 N 2.32 2.08 0.05 3.20 0.00 -0.81 -0.17 121.76 128.42 3hwb s ALA 193 Ca -0.04 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 3hwb s ALA 193 Cb -0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3hwb s ALA 193 CO -0.14 0.37 0.13 0.00 0.00 0.00 0.00 175.76 176.12 3hwb s ALA 194 N -0.02 -0.12 0.54 0.00 0.00 0.11 -1.27 121.76 120.99 3hwb s ALA 194 Ca -0.07 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 3hwb s ALA 194 Cb -0.14 0.29 -0.06 0.00 0.00 0.00 0.00 23.12 23.21 3hwb s ALA 194 CO 0.05 -0.36 1.06 -0.51 0.00 0.00 0.00 175.76 176.00 3hwb s ASP 195 N -2.27 6.02 -0.13 0.00 -0.00 0.76 0.38 116.67 121.42 3hwb s ASP 195 Ca -0.03 1.92 -0.04 0.00 -0.00 0.00 0.00 52.55 54.40 3hwb s ASP 195 Cb 0.00 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.34 3hwb s ASP 195 CO -0.06 -1.00 0.02 -0.13 -0.00 0.00 0.00 175.17 173.99 3hwb s ARG 196 N -3.57 3.48 0.73 8.23 0.52 -0.16 -1.50 118.95 126.68 3hwb s ARG 196 Ca 0.67 -0.40 -0.13 0.00 -0.52 0.00 0.00 55.73 55.35 3hwb s ARG 196 Cb -0.17 -2.97 0.04 0.00 0.52 0.00 0.00 34.95 32.37 3hwb s ARG 196 CO 0.28 0.46 1.11 0.95 0.02 0.00 0.00 175.30 178.11 3hwb s THR 197 N -0.20 3.20 0.50 0.02 -4.23 -1.26 -4.84 115.64 108.81 3hwb s THR 197 Ca 0.06 0.46 0.32 0.00 -1.18 0.00 0.00 61.69 61.35 3hwb s THR 197 Cb -0.12 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.12 3hwb s THR 197 CO 0.02 -0.43 2.18 0.78 -0.54 0.00 0.00 174.62 176.63 3hwb h ASN 198 N -0.64 0.00 0.36 3.99 2.35 -1.99 -1.57 115.58 118.08 3hwb h ASN 198 Ca -0.45 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.13 3hwb h ASN 198 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 3hwb h ASN 198 CO 0.52 0.05 -0.70 0.25 -1.65 0.00 0.00 177.43 175.90 3hwb h LEU 199 N 0.00 0.34 -0.85 1.61 5.85 -1.97 -2.78 115.31 117.52 3hwb h LEU 199 Ca -0.00 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 3hwb h LEU 199 Cb 0.18 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3hwb h LEU 199 CO 0.01 0.93 -0.56 1.56 -0.34 0.00 0.00 178.44 180.04 3hwb h GLN 200 N 0.20 0.00 0.00 1.25 4.20 -1.62 -2.97 115.11 116.18 3hwb h GLN 200 Ca -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3hwb h GLN 200 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 3hwb h GLN 200 CO 0.11 0.56 -0.20 0.93 -0.67 0.00 0.00 178.83 179.56 3hwb h GLU 201 N 0.00 0.00 0.00 1.46 4.39 -1.43 -3.17 114.58 115.83 3hwb h GLU 201 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3hwb h GLU 201 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3hwb h GLU 201 CO 0.07 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 3hwb h ALA 202 N 1.80 1.00 -2.49 3.43 0.00 -1.32 -3.45 119.26 118.24 3hwb h ALA 202 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 3hwb h ALA 202 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hwb h ALA 202 CO 0.03 0.00 0.57 -0.65 0.00 0.00 0.00 179.25 179.19 3hwb s GLN 203 N -3.34 4.43 0.00 0.00 -1.52 -1.20 -4.91 119.66 113.12 3hwb s GLN 203 Ca 0.06 1.78 0.00 0.00 -1.95 0.00 0.00 55.36 55.25 3hwb s GLN 203 Cb 0.09 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.54 3hwb s GLN 203 CO 0.56 -0.27 0.45 -0.35 -0.25 0.00 0.00 175.29 175.43 3hwb n PRO 204 N 3.93 0.45 -3.93 2.91 -0.04 -1.26 -4.44 135.00 132.62 3hwb n PRO 204 Ca 0.09 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 3hwb n PRO 204 Cb 0.46 -1.00 -0.17 0.00 -0.04 0.00 0.00 33.50 32.75 3hwb n PRO 204 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hwb s LEU 205 N -1.00 1.42 0.00 1.53 1.43 -1.26 -4.79 118.68 116.00 3hwb s LEU 205 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3hwb s LEU 205 Cb 0.00 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3hwb s LEU 205 CO 0.00 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.07 3hwb n GLY 206 N 4.88 2.23 2.77 -3.19 0.00 -0.89 -0.50 105.19 110.49 3hwb n GLY 206 Ca -0.13 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 3hwb n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwb s ASN 207 N 0.00 1.07 0.00 1.61 3.04 -1.26 -4.91 114.94 114.49 3hwb s ASN 207 Ca 0.00 0.12 0.00 0.00 0.04 0.00 0.00 52.86 53.02 3hwb s ASN 207 Cb 0.00 0.15 0.00 0.00 -1.54 0.00 0.00 41.25 39.86 3hwb s ASN 207 CO 0.00 -0.27 0.00 0.61 -3.04 0.00 0.00 177.10 174.40 3hwb n GLY 208 N 5.31 3.56 0.11 1.21 0.00 -1.26 -4.90 105.19 109.22 3hwb n GLY 208 Ca -0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 3hwb n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hwb n LYS 209 N -1.23 0.68 -4.55 1.61 5.02 -1.26 -4.85 118.16 113.58 3hwb n LYS 209 Ca 0.00 0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 3hwb n LYS 209 Cb 0.00 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.19 3hwb n LYS 209 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hwb s LYS 210 N -2.56 3.49 -0.19 1.97 2.47 -1.26 -0.99 119.74 122.68 3hwb s LYS 210 Ca -0.15 -0.62 -0.10 0.00 -1.56 0.00 0.00 55.97 53.54 3hwb s LYS 210 Cb 0.07 -2.78 -0.05 0.00 -1.46 0.00 0.00 37.83 33.62 3hwb s LYS 210 CO 0.78 0.18 0.15 0.00 0.16 0.00 0.00 175.35 176.63 3hwb s ALA 211 N 0.46 3.68 -0.02 3.13 0.00 0.16 -4.79 121.76 124.38 3hwb s ALA 211 Ca -0.07 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.30 3hwb s ALA 211 Cb -0.15 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 3hwb s ALA 211 CO 0.04 0.15 -0.22 -1.21 0.00 0.00 0.00 175.76 174.52 3hwb s GLU 212 N 0.36 2.22 -0.11 0.00 2.02 -0.41 -0.71 118.70 122.07 3hwb s GLU 212 Ca 0.09 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 3hwb s GLU 212 Cb -0.11 -2.16 0.05 0.00 0.10 0.00 0.00 34.13 32.01 3hwb s GLU 212 CO -0.01 0.58 0.11 -0.65 0.02 0.00 0.00 175.26 175.31 3hwb s GLN 213 N -0.73 0.02 0.01 1.61 -0.21 0.76 -0.50 119.66 120.62 3hwb s GLN 213 Ca 0.11 0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.78 3hwb s GLN 213 Cb -0.10 -0.91 -0.01 0.00 1.00 0.00 0.00 33.01 32.99 3hwb s GLN 213 CO -0.00 -0.46 -0.05 1.67 -2.12 0.00 0.00 175.29 174.33 3hwb s TRP 214 N 2.21 0.40 -0.06 0.91 1.48 -1.01 0.19 118.94 123.06 3hwb s TRP 214 Ca 0.04 -0.19 -0.13 0.00 -1.06 0.00 0.00 56.10 54.75 3hwb s TRP 214 Cb -0.14 -0.25 0.03 0.00 -1.16 0.00 0.00 33.47 31.95 3hwb s TRP 214 CO -0.07 -0.04 0.32 0.00 -4.06 0.00 0.00 176.95 173.11 3hwb s ALA 215 N -0.47 -0.80 0.19 2.67 0.00 -0.86 -1.29 121.76 121.21 3hwb s ALA 215 Ca -0.02 0.60 0.09 0.00 0.00 0.00 0.00 51.96 52.63 3hwb s ALA 215 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3hwb s ALA 215 CO -0.00 -0.21 -0.19 0.95 0.00 0.00 0.00 175.76 176.30 3hwb s THR 216 N -0.66 2.01 -0.03 0.00 -4.23 0.01 -0.53 115.64 112.20 3hwb s THR 216 Ca -0.08 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.20 3hwb s THR 216 Cb -0.04 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3hwb s THR 216 CO 0.03 -0.34 0.37 -0.83 -0.54 0.00 0.00 174.62 173.30 3hwb s GLY 217 N -2.90 -0.22 -0.03 3.99 0.00 -0.58 -1.63 107.32 105.93 3hwb s GLY 217 Ca 0.20 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.47 3hwb s GLY 217 CO 0.09 0.32 -0.05 1.08 0.00 0.00 0.00 173.10 174.54 3hwb s LEU 218 N -1.13 1.51 0.04 0.66 1.02 -0.53 -1.40 118.68 118.85 3hwb s LEU 218 Ca -0.12 -0.12 -0.03 0.00 0.02 0.00 0.00 54.13 53.88 3hwb s LEU 218 Cb -0.04 -0.42 -0.02 0.00 0.02 0.00 0.00 46.19 45.73 3hwb s LEU 218 CO 0.05 -0.02 0.03 -1.59 0.02 0.00 0.00 176.35 174.84 3hwb s LYS 219 N 0.62 0.53 -0.26 1.70 -2.85 0.23 -0.82 119.74 118.89 3hwb s LYS 219 Ca -0.08 -0.85 0.02 0.00 -1.00 0.00 0.00 55.97 54.06 3hwb s LYS 219 Cb -0.11 0.20 0.07 0.00 -2.06 0.00 0.00 37.83 35.92 3hwb s LYS 219 CO 0.00 -0.11 -0.04 -0.47 0.10 0.00 0.00 175.35 174.83 3hwb s TYR 220 N -2.69 2.75 -0.68 1.78 5.04 -0.72 -0.67 117.35 122.16 3hwb s TYR 220 Ca -0.04 -2.07 0.05 0.00 -2.44 0.00 0.00 57.07 52.56 3hwb s TYR 220 Cb -0.01 -1.87 0.19 0.00 0.35 0.00 0.00 41.96 40.62 3hwb s TYR 220 CO -0.05 -0.83 0.57 -3.47 -1.34 0.00 0.00 175.55 170.42 3hwb n ASP 221 N 4.57 3.16 -3.60 4.32 2.03 -0.63 -2.53 116.55 123.86 3hwb n ASP 221 Ca -0.09 -3.26 -0.16 0.00 0.52 0.00 0.00 54.79 51.80 3hwb n ASP 221 Cb 0.43 -0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 3hwb n ASP 221 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hwb s ALA 222 N -1.74 -1.39 -1.34 -1.67 0.00 -1.14 -4.73 121.76 109.75 3hwb s ALA 222 Ca 0.30 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 3hwb s ALA 222 Cb 0.02 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3hwb s ALA 222 CO -0.12 -0.38 0.77 0.09 0.00 0.00 0.00 175.76 176.12 3hwb n ASN 223 N 0.86 -1.93 -0.11 0.00 5.03 -1.26 -2.35 115.26 115.51 3hwb n ASN 223 Ca -0.19 -0.80 -0.01 0.00 0.87 0.00 0.00 54.58 54.44 3hwb n ASN 223 Cb 0.58 -4.09 -0.01 0.00 -1.02 0.00 0.00 39.78 35.24 3hwb n ASN 223 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3hwb n ASN 224 N -3.02 -5.14 -4.52 6.41 3.02 -1.26 -4.96 115.26 105.79 3hwb n ASN 224 Ca -0.23 0.03 -0.34 0.00 -0.03 0.00 0.00 54.58 54.01 3hwb n ASN 224 Cb 0.65 -2.76 -0.12 0.00 -0.61 0.00 0.00 39.78 36.94 3hwb n ASN 224 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hwb s ILE 225 N -1.39 3.65 -0.25 2.41 1.01 -0.99 -0.61 121.20 125.03 3hwb s ILE 225 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3hwb s ILE 225 Cb 0.00 -2.54 0.08 0.00 0.01 0.00 0.00 42.46 40.01 3hwb s ILE 225 CO 0.00 0.55 0.03 -0.47 0.00 0.00 0.00 174.94 175.05 3hwb s TYR 226 N -0.19 1.74 -0.30 3.97 5.04 0.50 -2.87 117.35 125.24 3hwb s TYR 226 Ca 0.02 -1.49 0.02 0.00 -2.44 0.00 0.00 57.07 53.19 3hwb s TYR 226 Cb -0.13 -1.49 0.09 0.00 0.35 0.00 0.00 41.96 40.78 3hwb s TYR 226 CO 0.03 -0.76 0.01 -0.51 -1.34 0.00 0.00 175.55 172.98 3hwb s LEU 227 N 1.61 3.68 0.01 6.97 1.43 -1.05 -0.35 118.68 130.98 3hwb s LEU 227 Ca 0.02 -1.75 0.07 0.00 -1.03 0.00 0.00 54.13 51.43 3hwb s LEU 227 Cb -0.18 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3hwb s LEU 227 CO -0.13 -0.33 -0.20 0.00 0.23 0.00 0.00 176.35 175.92 3hwb s ALA 228 N 1.16 2.48 -0.04 4.21 0.00 -0.41 -1.76 121.76 127.40 3hwb s ALA 228 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3hwb s ALA 228 Cb -0.19 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3hwb s ALA 228 CO -0.10 0.56 0.03 0.00 0.00 0.00 0.00 175.76 176.24 3hwb s ALA 229 N -0.82 0.38 0.03 0.00 0.00 0.00 -0.67 121.76 120.68 3hwb s ALA 229 Ca 0.13 0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.28 3hwb s ALA 229 Cb -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3hwb s ALA 229 CO 0.03 -0.34 -0.26 -0.80 0.00 0.00 0.00 175.76 174.39 3hwb s ASN 230 N 1.72 3.18 -0.04 0.00 0.02 0.84 -1.45 114.94 119.21 3hwb s ASN 230 Ca -0.00 -0.55 -0.01 0.00 -1.02 0.00 0.00 52.86 51.28 3hwb s ASN 230 Cb -0.13 -0.32 0.03 0.00 0.02 0.00 0.00 41.25 40.85 3hwb s ASN 230 CO -0.03 0.27 0.03 -0.47 0.02 0.00 0.00 177.10 176.92 3hwb s TYR 231 N -0.77 0.24 0.03 2.20 5.04 -0.65 -0.80 117.35 122.64 3hwb s TYR 231 Ca 0.11 0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.80 3hwb s TYR 231 Cb -0.10 -0.49 -0.02 0.00 0.35 0.00 0.00 41.96 41.70 3hwb s TYR 231 CO 0.01 -0.19 0.04 0.20 -1.34 0.00 0.00 175.55 174.28 3hwb s GLY 232 N 1.68 0.21 -0.03 8.97 0.00 -0.82 -0.81 107.32 116.52 3hwb s GLY 232 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3hwb s GLY 232 CO -0.03 -0.68 -0.03 -0.54 0.00 0.00 0.00 173.10 171.82 3hwb s GLU 233 N -2.14 0.54 0.08 2.90 2.02 -0.41 -0.43 118.70 121.25 3hwb s GLU 233 Ca -0.09 -0.07 0.10 0.00 0.02 0.00 0.00 54.97 54.93 3hwb s GLU 233 Cb -0.04 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.56 3hwb s GLU 233 CO -0.03 -0.04 -0.27 0.95 0.02 0.00 0.00 175.26 175.89 3hwb s THR 234 N 0.64 2.17 -0.18 3.63 -4.23 -1.23 -2.41 115.64 114.03 3hwb s THR 234 Ca -0.07 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3hwb s THR 234 Cb -0.11 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.88 3hwb s THR 234 CO -0.00 0.26 -0.14 -0.13 -0.54 0.00 0.00 174.62 174.06 3hwb s ARG 235 N -1.54 2.42 -1.51 3.99 1.81 0.35 -1.79 118.95 122.68 3hwb s ARG 235 Ca 0.12 -0.79 -0.13 0.00 -1.72 0.00 0.00 55.73 53.21 3hwb s ARG 235 Cb -0.10 -2.40 0.08 0.00 -0.45 0.00 0.00 34.95 32.07 3hwb s ARG 235 CO 0.03 -0.31 0.99 0.09 -0.68 0.00 0.00 175.30 175.42 3hwb n ASN 236 N 4.67 -4.82 0.00 0.23 3.02 -1.04 -1.29 115.26 116.03 3hwb n ASN 236 Ca -0.17 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3hwb n ASN 236 Cb 0.48 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 3hwb n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hwb n ALA 237 N -4.70 2.10 -2.34 5.41 0.00 -1.23 -4.68 120.51 115.07 3hwb n ALA 237 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 3hwb n ALA 237 Cb 0.53 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.16 3hwb n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hwb s THR 238 N -1.46 4.12 0.15 0.00 2.01 -1.26 -4.86 115.64 114.33 3hwb s THR 238 Ca 0.00 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 3hwb s THR 238 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 3hwb s THR 238 CO 0.00 -0.11 1.23 -2.84 -0.69 0.00 0.00 174.62 172.21 3hwb s PRO 239 N 3.48 4.45 0.10 4.92 0.02 -1.26 0.11 135.00 146.82 3hwb s PRO 239 Ca 0.59 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.54 3hwb s PRO 239 Cb -0.24 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3hwb s PRO 239 CO 0.18 -0.18 -0.13 0.96 -0.33 0.00 0.00 177.00 177.51 3hwb s ILE 240 N 0.34 1.16 -0.04 2.83 -4.36 -1.06 -4.80 121.20 115.26 3hwb s ILE 240 Ca 0.56 -1.61 -0.00 0.00 -0.26 0.00 0.00 60.65 59.34 3hwb s ILE 240 Cb -0.33 -1.38 0.03 0.00 1.25 0.00 0.00 42.46 42.03 3hwb s ILE 240 CO 0.34 -0.43 0.00 -0.89 0.24 0.00 0.00 174.94 174.21 3hwb s THR 241 N -2.06 0.25 -0.48 8.37 2.01 -1.26 -1.84 115.64 120.62 3hwb s THR 241 Ca 0.05 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.94 3hwb s THR 241 Cb -0.05 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.12 3hwb s THR 241 CO 0.02 0.19 0.78 0.21 -0.69 0.00 0.00 174.62 175.13 3hwb s ASN 242 N 1.41 6.35 0.34 3.53 2.47 0.13 -4.67 114.94 124.51 3hwb s ASN 242 Ca -0.04 -0.33 0.14 0.00 0.42 0.00 0.00 52.86 53.05 3hwb s ASN 242 Cb -0.13 -2.37 0.60 0.00 -1.45 0.00 0.00 41.25 37.89 3hwb s ASN 242 CO -0.03 -0.97 1.73 0.11 -3.72 0.00 0.00 177.10 174.22 3hwb h LYS 243 N 9.05 0.00 -0.01 0.43 1.79 -0.93 -0.73 116.57 126.18 3hwb h LYS 243 Ca -0.26 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.06 3hwb h LYS 243 Cb 1.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 3hwb h LYS 243 CO 0.98 0.46 -0.72 0.74 -1.08 0.00 0.00 179.45 179.83 3hwb h PHE 244 N 0.00 0.05 -0.00 -1.35 0.04 -1.86 -3.33 116.94 110.48 3hwb h PHE 244 Ca -0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3hwb h PHE 244 Cb 0.86 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.01 3hwb h PHE 244 CO 0.00 0.74 -0.04 0.25 -0.60 0.00 0.00 178.31 178.67 3hwb n THR 245 N -3.70 0.00 -3.40 -1.55 -2.24 -1.20 -5.03 114.28 97.16 3hwb n THR 245 Ca -0.01 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 3hwb n THR 245 Cb 0.70 1.06 0.06 0.00 -2.10 0.00 0.00 70.33 70.05 3hwb n THR 245 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hwb n ASN 246 N -0.11 -5.91 -4.02 3.42 5.15 -0.33 -5.02 115.26 108.43 3hwb n ASN 246 Ca 0.02 -0.80 -0.30 0.00 -0.60 0.00 0.00 54.58 52.89 3hwb n ASN 246 Cb 0.08 -4.62 -0.16 0.00 -0.53 0.00 0.00 39.78 34.54 3hwb n ASN 246 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hwb s THR 247 N -3.42 1.56 -0.07 -0.44 2.01 -0.87 -4.98 115.64 109.43 3hwb s THR 247 Ca 0.43 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.85 3hwb s THR 247 Cb -0.09 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 3hwb s THR 247 CO 0.78 0.46 -0.20 -0.55 -0.69 0.00 0.00 174.62 174.41 3hwb s SER 248 N 1.47 3.46 0.00 3.53 0.15 -1.26 0.22 113.70 121.27 3hwb s SER 248 Ca 0.04 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3hwb s SER 248 Cb -0.13 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 3hwb s SER 248 CO -0.10 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3hwb n GLY 249 N 2.99 2.24 3.00 9.45 0.00 -0.77 -4.60 105.19 117.50 3hwb n GLY 249 Ca -0.18 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3hwb n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwb s PHE 250 N 1.15 0.42 0.07 1.61 0.40 0.35 -2.56 117.98 119.43 3hwb s PHE 250 Ca 0.00 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.61 3hwb s PHE 250 Cb 0.00 -0.27 -0.06 0.00 0.51 0.00 0.00 43.02 43.20 3hwb s PHE 250 CO 0.00 -0.11 1.16 0.00 0.70 0.00 0.00 175.22 176.97 3hwb s ALA 251 N -1.14 3.36 0.31 5.36 0.00 0.31 -2.10 121.76 127.86 3hwb s ALA 251 Ca -0.10 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.75 3hwb s ALA 251 Cb -0.08 -3.42 0.50 0.00 0.00 0.00 0.00 23.12 20.12 3hwb s ALA 251 CO -0.00 -0.38 1.72 -0.97 0.00 0.00 0.00 175.76 176.13 3hwb h ASN 252 N 6.53 0.20 -3.73 0.00 -0.73 -1.81 -2.76 115.58 113.28 3hwb h ASN 252 Ca -0.42 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 57.65 3hwb h ASN 252 Cb 1.21 -0.05 -0.21 0.00 0.27 0.00 0.00 38.32 39.54 3hwb h ASN 252 CO 0.79 0.59 0.13 -0.75 -0.37 0.00 0.00 177.43 177.82 3hwb s LYS 253 N -4.14 0.79 0.10 6.67 2.20 -0.93 -2.81 119.74 121.62 3hwb s LYS 253 Ca -0.04 1.02 0.04 0.00 -0.36 0.00 0.00 55.97 56.64 3hwb s LYS 253 Cb 0.14 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 3hwb s LYS 253 CO 0.76 -0.11 -0.12 0.95 -0.36 0.00 0.00 175.35 176.48 3hwb s THR 254 N 0.65 1.05 -0.24 3.43 -4.23 -0.74 0.20 115.64 115.76 3hwb s THR 254 Ca -0.02 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3hwb s THR 254 Cb -0.05 -1.30 0.07 0.00 1.34 0.00 0.00 72.50 72.56 3hwb s THR 254 CO -0.04 -0.45 -0.00 -1.10 -0.54 0.00 0.00 174.62 172.49 3hwb s GLN 255 N -2.48 1.21 -0.13 3.99 -0.21 -0.48 -3.54 119.66 118.01 3hwb s GLN 255 Ca 0.04 -0.89 -0.03 0.00 0.02 0.00 0.00 55.36 54.50 3hwb s GLN 255 Cb -0.05 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 3hwb s GLN 255 CO 0.01 -0.68 -0.03 -0.51 -2.12 0.00 0.00 175.29 171.95 3hwb s ASP 256 N 1.53 4.86 -0.09 5.90 1.01 0.43 -2.25 116.67 128.06 3hwb s ASP 256 Ca -0.01 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.18 3hwb s ASP 256 Cb -0.18 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.12 3hwb s ASP 256 CO -0.09 0.23 -0.08 -0.69 0.21 0.00 0.00 175.17 174.74 3hwb s VAL 257 N -0.00 1.01 -0.07 -1.27 1.01 0.21 -1.94 120.40 119.33 3hwb s VAL 257 Ca 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3hwb s VAL 257 Cb -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3hwb s VAL 257 CO 0.03 0.35 -0.17 -0.76 0.00 0.00 0.00 175.10 174.55 3hwb s LEU 258 N 1.37 1.85 -0.02 3.92 2.01 0.02 -0.67 118.68 127.16 3hwb s LEU 258 Ca -0.01 -0.39 0.01 0.00 0.01 0.00 0.00 54.13 53.74 3hwb s LEU 258 Cb -0.14 -1.05 0.01 0.00 0.01 0.00 0.00 46.19 45.03 3hwb s LEU 258 CO -0.04 0.10 -0.03 -0.76 1.01 0.00 0.00 176.35 176.63 3hwb s LEU 259 N 0.40 1.53 -0.02 1.79 1.43 0.82 -0.11 118.68 124.52 3hwb s LEU 259 Ca -0.13 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3hwb s LEU 259 Cb -0.15 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.77 3hwb s LEU 259 CO 0.05 -0.02 -0.03 -0.69 0.23 0.00 0.00 176.35 175.89 3hwb s VAL 260 N 0.56 0.32 -0.16 -1.59 1.01 0.15 -0.38 120.40 120.31 3hwb s VAL 260 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3hwb s VAL 260 Cb -0.10 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.98 3hwb s VAL 260 CO -0.00 0.15 0.01 0.00 0.00 0.00 0.00 175.10 175.25 3hwb s ALA 261 N 0.60 1.08 0.02 5.51 0.00 0.10 -1.28 121.76 127.79 3hwb s ALA 261 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3hwb s ALA 261 Cb -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 3hwb s ALA 261 CO -0.01 -0.94 -0.06 -0.65 0.00 0.00 0.00 175.76 174.11 3hwb s GLN 262 N 1.82 0.44 -0.00 0.00 -0.21 0.52 -1.18 119.66 121.05 3hwb s GLN 262 Ca 0.01 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 54.95 3hwb s GLN 262 Cb -0.16 -0.29 -0.01 0.00 1.00 0.00 0.00 33.01 33.55 3hwb s GLN 262 CO -0.07 0.06 -0.10 -0.47 -2.12 0.00 0.00 175.29 172.59 3hwb s TYR 263 N -0.79 0.90 -0.32 0.91 5.04 -1.18 -0.37 117.35 121.54 3hwb s TYR 263 Ca -0.05 -0.20 -0.06 0.00 -2.44 0.00 0.00 57.07 54.32 3hwb s TYR 263 Cb -0.06 -0.57 0.03 0.00 0.35 0.00 0.00 41.96 41.70 3hwb s TYR 263 CO 0.00 -0.01 0.09 -1.14 -1.34 0.00 0.00 175.55 173.15 3hwb s GLN 264 N -0.38 2.76 0.53 4.97 2.00 0.22 -3.41 119.66 126.34 3hwb s GLN 264 Ca 0.03 -1.08 -0.16 0.00 -2.00 0.00 0.00 55.36 52.15 3hwb s GLN 264 Cb -0.04 -3.41 -0.07 0.00 0.80 0.00 0.00 33.01 30.28 3hwb s GLN 264 CO -0.00 -0.59 0.99 -0.06 -0.50 0.00 0.00 175.29 175.13 3hwb s PHE 265 N 1.42 3.45 0.03 1.67 0.08 -0.73 -4.82 117.98 119.10 3hwb s PHE 265 Ca -0.00 1.45 0.32 0.00 0.12 0.00 0.00 56.93 58.82 3hwb s PHE 265 Cb -0.19 -2.79 1.25 0.00 -0.57 0.00 0.00 43.02 40.72 3hwb s PHE 265 CO 0.02 -0.43 1.94 -0.44 -0.10 0.00 0.00 175.22 176.21 3hwb h ASP 266 N 0.76 0.00 -0.13 1.36 3.32 -1.99 -3.06 116.42 116.67 3hwb h ASP 266 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hwb h ASP 266 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3hwb h ASP 266 CO 0.61 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 180.35 3hwb n PHE 267 N -3.07 0.16 0.00 4.55 -1.74 -1.26 -4.95 117.46 111.14 3hwb n PHE 267 Ca 0.01 -0.08 0.00 0.00 -0.56 0.00 0.00 57.45 56.82 3hwb n PHE 267 Cb 0.33 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.33 3hwb n PHE 267 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hwb n GLY 268 N 1.20 0.52 3.73 4.97 0.00 -1.16 -4.94 105.19 109.52 3hwb n GLY 268 Ca 0.17 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hwb n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwb s LEU 269 N 0.00 4.42 -0.50 0.99 2.96 -1.26 -1.42 118.68 123.87 3hwb s LEU 269 Ca 0.00 2.30 0.04 0.00 -0.22 0.00 0.00 54.13 56.25 3hwb s LEU 269 Cb 0.00 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 43.24 3hwb s LEU 269 CO 0.00 -0.47 0.35 -0.60 -1.32 0.00 0.00 176.35 174.31 3hwb s ARG 270 N -0.01 1.47 0.68 1.98 3.52 0.48 -1.77 118.95 125.30 3hwb s ARG 270 Ca 0.56 -2.41 -0.16 0.00 -0.13 0.00 0.00 55.73 53.59 3hwb s ARG 270 Cb -0.34 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 3hwb s ARG 270 CO 0.36 -1.28 1.20 -2.14 -0.81 0.00 0.00 175.30 172.63 3hwb s PRO 271 N -0.25 2.49 -0.09 5.12 0.02 -1.22 -1.52 135.00 139.55 3hwb s PRO 271 Ca 0.25 1.74 -0.04 0.00 0.02 0.00 0.00 61.00 62.97 3hwb s PRO 271 Cb -0.09 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.60 3hwb s PRO 271 CO -0.12 -1.56 0.20 0.45 -0.33 0.00 0.00 177.00 175.64 3hwb s SER 272 N -1.96 0.11 -0.12 2.53 0.15 0.24 -3.12 113.70 111.53 3hwb s SER 272 Ca 0.74 0.43 0.01 0.00 0.70 0.00 0.00 55.95 57.83 3hwb s SER 272 Cb -0.29 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 3hwb s SER 272 CO 0.41 -0.19 -0.14 -0.63 1.20 0.00 0.00 173.24 173.89 3hwb s ILE 273 N 1.67 1.44 0.07 6.45 1.09 -0.32 -1.18 121.20 130.42 3hwb s ILE 273 Ca -0.05 -0.58 0.01 0.00 -1.10 0.00 0.00 60.65 58.93 3hwb s ILE 273 Cb -0.11 -1.35 -0.04 0.00 -1.06 0.00 0.00 42.46 39.90 3hwb s ILE 273 CO -0.07 0.43 -0.05 0.00 -0.10 0.00 0.00 174.94 175.15 3hwb s ALA 274 N 1.26 0.71 -0.01 9.38 0.00 -0.37 -0.72 121.76 132.00 3hwb s ALA 274 Ca -0.01 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3hwb s ALA 274 Cb -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3hwb s ALA 274 CO -0.06 -0.27 -0.10 -0.47 0.00 0.00 0.00 175.76 174.86 3hwb s TYR 275 N -3.47 0.94 -0.03 0.00 5.04 0.49 0.02 117.35 120.33 3hwb s TYR 275 Ca 0.07 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.50 3hwb s TYR 275 Cb 0.04 -0.62 0.03 0.00 0.35 0.00 0.00 41.96 41.77 3hwb s TYR 275 CO -0.06 -0.03 0.05 0.99 -1.34 0.00 0.00 175.55 175.16 3hwb s THR 276 N -0.16 -0.06 -0.08 4.34 2.01 -1.10 -0.13 115.64 120.47 3hwb s THR 276 Ca 0.03 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 3hwb s THR 276 Cb -0.05 -0.11 0.04 0.00 0.01 0.00 0.00 72.50 72.39 3hwb s THR 276 CO -0.00 0.09 0.15 -0.75 -0.69 0.00 0.00 174.62 173.42 3hwb s LYS 277 N 1.14 0.05 -0.12 4.92 2.20 0.16 -1.80 119.74 126.29 3hwb s LYS 277 Ca -0.08 0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 3hwb s LYS 277 Cb -0.13 -0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.00 3hwb s LYS 277 CO -0.04 -0.25 0.03 0.45 -0.36 0.00 0.00 175.35 175.18 3hwb s SER 278 N 1.86 2.09 -0.09 1.43 0.15 0.22 0.63 113.70 119.99 3hwb s SER 278 Ca -0.02 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.29 3hwb s SER 278 Cb -0.12 -0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 63.74 3hwb s SER 278 CO -0.06 -0.26 -0.23 -1.59 1.20 0.00 0.00 173.24 172.31 3hwb s LYS 279 N 1.97 2.96 0.17 5.44 -2.85 -0.95 -0.22 119.74 126.26 3hwb s LYS 279 Ca 0.03 -0.86 -0.15 0.00 -1.00 0.00 0.00 55.97 53.98 3hwb s LYS 279 Cb -0.14 -2.31 -0.07 0.00 -2.06 0.00 0.00 37.83 33.25 3hwb s LYS 279 CO -0.06 0.24 0.60 0.00 0.10 0.00 0.00 175.35 176.22 3hwb s ALA 280 N 0.19 3.53 0.13 0.59 0.00 0.24 -1.39 121.76 125.06 3hwb s ALA 280 Ca -0.14 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.84 3hwb s ALA 280 Cb -0.17 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3hwb s ALA 280 CO 0.07 0.42 -0.19 0.15 0.00 0.00 0.00 175.76 176.21 3hwb s LYS 281 N -2.04 1.19 -1.52 0.00 -0.14 0.52 -1.66 119.74 116.09 3hwb s LYS 281 Ca 0.40 -1.27 -0.05 0.00 -1.36 0.00 0.00 55.97 53.68 3hwb s LYS 281 Cb -0.15 -1.34 0.02 0.00 -1.68 0.00 0.00 37.83 34.68 3hwb s LYS 281 CO 0.20 0.29 0.56 -0.25 -0.76 0.00 0.00 175.35 175.38 3hwb n ASP 282 N 0.71 -5.72 -4.73 2.83 8.00 -0.89 -2.20 116.55 114.55 3hwb n ASP 282 Ca -0.16 -0.28 -0.41 0.00 0.71 0.00 0.00 54.79 54.64 3hwb n ASP 282 Cb 0.55 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 36.98 3hwb n ASP 282 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hwb s VAL 283 N -3.13 3.57 -0.25 2.53 1.01 -0.68 -4.58 120.40 118.87 3hwb s VAL 283 Ca 0.30 1.26 -0.28 0.00 0.00 0.00 0.00 61.98 63.26 3hwb s VAL 283 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hwb s VAL 283 CO 0.37 0.17 2.13 -1.61 0.00 0.00 0.00 175.10 176.17 3hwb s GLU 284 N 0.10 3.16 0.00 2.72 0.41 -1.26 -0.50 118.70 123.32 3hwb s GLU 284 Ca 0.55 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 57.00 3hwb s GLU 284 Cb -0.33 -4.34 0.00 0.00 -1.78 0.00 0.00 34.13 27.68 3hwb s GLU 284 CO 0.35 -2.07 0.00 0.41 -0.49 0.00 0.00 175.26 173.46 3hwb n GLY 285 N 5.70 3.36 0.88 -1.39 0.00 -1.26 -4.82 105.19 107.65 3hwb n GLY 285 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 3hwb n GLY 285 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hwb n ILE 286 N -1.88 0.73 0.00 -0.61 5.41 -0.73 -5.11 119.36 117.17 3hwb n ILE 286 Ca 0.00 0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.99 3hwb n ILE 286 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 3hwb n ILE 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hwb n GLY 287 N 3.18 1.25 3.52 7.39 0.00 0.34 -4.88 105.19 115.99 3hwb n GLY 287 Ca -0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3hwb n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hwb s ASP 288 N -4.00 6.17 -0.03 1.61 1.11 -1.26 -1.69 116.67 118.58 3hwb s ASP 288 Ca 0.00 -0.44 0.02 0.00 0.18 0.00 0.00 52.55 52.31 3hwb s ASP 288 Cb 0.00 -2.20 0.01 0.00 1.07 0.00 0.00 42.92 41.81 3hwb s ASP 288 CO 0.00 -0.42 -0.06 -0.69 1.18 0.00 0.00 175.17 175.18 3hwb s VAL 289 N 2.01 0.60 -0.10 -1.27 1.01 -0.67 -4.99 120.40 116.99 3hwb s VAL 289 Ca 0.11 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3hwb s VAL 289 Cb -0.17 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3hwb s VAL 289 CO 0.12 0.22 1.01 -1.81 0.00 0.00 0.00 175.10 174.64 3hwb s ASP 290 N 0.59 7.25 -0.20 3.32 1.11 -1.26 0.83 116.67 128.31 3hwb s ASP 290 Ca -0.08 1.54 -0.16 0.00 0.18 0.00 0.00 52.55 54.03 3hwb s ASP 290 Cb -0.12 -2.56 -0.12 0.00 1.07 0.00 0.00 42.92 41.20 3hwb s ASP 290 CO 0.00 -0.44 -0.06 0.18 1.18 0.00 0.00 175.17 176.03 3hwb n LEU 291 N 4.96 1.87 -3.96 1.23 4.77 0.69 -4.91 117.00 121.65 3hwb n LEU 291 Ca 0.09 0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 56.28 3hwb n LEU 291 Cb 0.49 -0.89 -0.17 0.00 -2.33 0.00 0.00 43.42 40.52 3hwb n LEU 291 CO 0.52 0.04 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.48 3hwb s VAL 292 N -2.41 1.00 -0.27 4.08 1.01 -0.96 -4.99 120.40 117.87 3hwb s VAL 292 Ca -0.26 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3hwb s VAL 292 Cb 0.06 -0.97 0.15 0.00 0.00 0.00 0.00 36.38 35.62 3hwb s VAL 292 CO 0.44 0.34 0.51 0.21 0.00 0.00 0.00 175.10 176.61 3hwb s ASN 293 N 1.12 -0.70 0.28 3.32 2.47 -1.25 0.70 114.94 120.87 3hwb s ASN 293 Ca -0.06 0.76 -0.20 0.00 0.42 0.00 0.00 52.86 53.77 3hwb s ASN 293 Cb -0.14 1.75 0.04 0.00 -1.45 0.00 0.00 41.25 41.45 3hwb s ASN 293 CO -0.01 -0.27 0.81 -0.72 -3.72 0.00 0.00 177.10 173.19 3hwb s TYR 294 N 2.73 -0.06 -0.15 0.43 -0.85 -0.75 -0.42 117.35 118.28 3hwb s TYR 294 Ca 0.13 -0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.26 3hwb s TYR 294 Cb -0.14 0.74 0.01 0.00 0.38 0.00 0.00 41.96 42.95 3hwb s TYR 294 CO -0.18 -1.25 -0.20 -0.06 -1.52 0.00 0.00 175.55 172.34 3hwb s PHE 295 N -3.18 2.60 -0.14 -3.49 0.40 -0.82 -2.70 117.98 110.65 3hwb s PHE 295 Ca 0.13 -1.40 -0.13 0.00 -0.60 0.00 0.00 56.93 54.94 3hwb s PHE 295 Cb -0.05 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.64 3hwb s PHE 295 CO 0.07 -0.67 0.28 -2.00 0.70 0.00 0.00 175.22 173.61 3hwb s GLU 296 N 1.04 4.13 -0.08 0.44 -6.30 0.10 -1.05 118.70 116.98 3hwb s GLU 296 Ca -0.02 0.09 -0.01 0.00 -2.50 0.00 0.00 54.97 52.53 3hwb s GLU 296 Cb -0.14 -3.38 0.03 0.00 0.00 0.00 0.00 34.13 30.64 3hwb s GLU 296 CO -0.06 0.35 -0.02 0.08 0.02 0.00 0.00 175.26 175.63 3hwb s VAL 297 N 0.12 0.58 0.25 3.70 1.01 -0.41 -1.23 120.40 124.41 3hwb s VAL 297 Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 3hwb s VAL 297 Cb -0.13 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.61 3hwb s VAL 297 CO 0.05 0.29 0.88 -0.83 0.00 0.00 0.00 175.10 175.49 3hwb s GLY 298 N 1.86 0.01 -0.20 4.51 0.00 -0.32 -1.07 107.32 112.11 3hwb s GLY 298 Ca 0.04 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 3hwb s GLY 298 CO -0.06 0.40 0.52 0.00 0.00 0.00 0.00 173.10 173.95 3hwb s ALA 299 N -2.98 -1.31 -0.23 3.20 0.00 -0.99 0.81 121.76 120.26 3hwb s ALA 299 Ca 0.15 1.62 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 3hwb s ALA 299 Cb -0.04 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.14 3hwb s ALA 299 CO 0.06 -0.27 -0.07 0.99 0.00 0.00 0.00 175.76 176.48 3hwb s THR 300 N 0.75 2.97 -0.51 0.00 2.01 -0.58 -2.13 115.64 118.15 3hwb s THR 300 Ca -0.04 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 3hwb s THR 300 Cb -0.05 -2.44 0.07 0.00 0.01 0.00 0.00 72.50 70.09 3hwb s THR 300 CO -0.06 0.30 0.59 -0.47 -0.69 0.00 0.00 174.62 174.30 3hwb s TYR 301 N 1.37 3.08 -0.49 4.92 6.14 0.80 -0.39 117.35 132.79 3hwb s TYR 301 Ca 0.03 -0.68 -0.26 0.00 0.64 0.00 0.00 57.07 56.80 3hwb s TYR 301 Cb -0.15 -3.55 0.03 0.00 0.42 0.00 0.00 41.96 38.71 3hwb s TYR 301 CO -0.05 -1.03 1.01 0.71 0.64 0.00 0.00 175.55 176.83 3hwb s TYR 302 N 2.45 2.84 0.10 4.97 2.02 -0.50 -1.68 117.35 127.55 3hwb s TYR 302 Ca 0.12 0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 57.03 3hwb s TYR 302 Cb -0.21 -4.16 -0.07 0.00 -0.40 0.00 0.00 41.96 37.12 3hwb s TYR 302 CO 0.10 -1.23 1.66 0.74 -1.57 0.00 0.00 175.55 175.25 3hwb h PHE 303 N 9.20 0.34 -0.75 2.71 0.04 -1.44 -3.41 116.94 123.63 3hwb h PHE 303 Ca -0.24 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.51 3hwb h PHE 303 Cb 1.07 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.11 3hwb h PHE 303 CO 0.92 0.36 0.00 0.27 -0.60 0.00 0.00 178.31 179.26 3hwb n ASN 304 N -4.82 0.00 0.00 2.17 6.94 -0.94 -4.98 115.26 113.63 3hwb n ASN 304 Ca -0.03 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.66 3hwb n ASN 304 Cb 0.11 0.00 0.66 0.00 -2.36 0.00 0.00 39.78 38.19 3hwb n ASN 304 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3hwb n LYS 305 N 0.00 0.36 -0.01 -3.83 2.85 -1.26 -3.92 118.16 112.35 3hwb n LYS 305 Ca 0.00 0.04 -0.01 0.00 -1.05 0.00 0.00 58.31 57.29 3hwb n LYS 305 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 3hwb n LYS 305 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hwb n ASN 306 N -1.29 4.43 -4.24 -5.58 4.13 -1.26 -4.92 115.26 106.53 3hwb n ASN 306 Ca 0.12 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.10 3hwb n ASN 306 Cb 0.21 0.60 -0.16 0.00 -1.54 0.00 0.00 39.78 38.89 3hwb n ASN 306 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3hwb s MET 307 N -2.06 1.97 0.00 3.52 1.75 -1.25 -1.02 119.30 122.21 3hwb s MET 307 Ca -0.01 -0.80 -0.28 0.00 -1.25 0.00 0.00 55.69 53.36 3hwb s MET 307 Cb 0.01 -1.82 0.07 0.00 2.84 0.00 0.00 34.83 35.93 3hwb s MET 307 CO 0.09 0.43 0.62 -1.54 -0.65 0.00 0.00 175.02 173.98 3hwb s SER 308 N -0.37 -0.59 0.03 1.11 1.04 -0.65 -1.14 113.70 113.13 3hwb s SER 308 Ca 0.04 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.99 3hwb s SER 308 Cb -0.10 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3hwb s SER 308 CO 0.01 -0.68 -0.10 0.42 0.98 0.00 0.00 173.24 173.86 3hwb s THR 309 N -1.85 0.80 0.02 2.02 -4.23 -0.67 -0.56 115.64 111.16 3hwb s THR 309 Ca -0.08 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.50 3hwb s THR 309 Cb -0.01 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 3hwb s THR 309 CO 0.04 -0.11 0.04 -0.72 -0.54 0.00 0.00 174.62 173.33 3hwb s TYR 310 N -0.90 0.21 -0.19 3.99 -0.85 -0.77 -0.14 117.35 118.70 3hwb s TYR 310 Ca -0.02 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 56.08 3hwb s TYR 310 Cb -0.08 -0.16 0.04 0.00 0.38 0.00 0.00 41.96 42.14 3hwb s TYR 310 CO 0.01 -0.26 -0.11 0.08 -1.52 0.00 0.00 175.55 173.74 3hwb s VAL 311 N -1.84 1.64 -0.27 -3.49 1.01 -0.91 -1.78 120.40 114.77 3hwb s VAL 311 Ca -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3hwb s VAL 311 Cb -0.06 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.67 3hwb s VAL 311 CO -0.02 0.24 -0.02 -0.62 0.00 0.00 0.00 175.10 174.68 3hwb s ASP 312 N 1.41 4.56 -0.21 3.32 -1.08 0.77 -2.34 116.67 123.11 3hwb s ASP 312 Ca 0.00 -0.89 -0.03 0.00 -0.52 0.00 0.00 52.55 51.11 3hwb s ASP 312 Cb -0.15 -1.72 -0.00 0.00 -1.46 0.00 0.00 42.92 39.59 3hwb s ASP 312 CO -0.09 -0.16 -0.07 -0.47 0.52 0.00 0.00 175.17 174.90 3hwb s TYR 313 N 1.35 2.93 -0.31 -5.34 5.04 -0.23 0.17 117.35 120.95 3hwb s TYR 313 Ca -0.00 -1.05 -0.12 0.00 -2.44 0.00 0.00 57.07 53.46 3hwb s TYR 313 Cb -0.17 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 3hwb s TYR 313 CO -0.03 -0.59 0.21 0.42 -1.34 0.00 0.00 175.55 174.22 3hwb s ILE 314 N 1.44 5.23 -1.09 3.14 -1.09 -0.50 -1.29 121.20 127.06 3hwb s ILE 314 Ca 0.06 -0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.24 3hwb s ILE 314 Cb -0.14 -3.60 0.13 0.00 -1.58 0.00 0.00 42.46 37.28 3hwb s ILE 314 CO -0.05 0.11 1.34 -0.63 -1.23 0.00 0.00 174.94 174.49 3hwb s ILE 315 N 1.73 4.72 -0.00 2.92 1.01 -0.21 -3.23 121.20 128.14 3hwb s ILE 315 Ca 0.06 -1.97 -0.30 0.00 0.00 0.00 0.00 60.65 58.44 3hwb s ILE 315 Cb -0.17 -4.90 -0.07 0.00 0.01 0.00 0.00 42.46 37.33 3hwb s ILE 315 CO 0.10 -1.64 1.74 0.21 0.00 0.00 0.00 174.94 175.35 3hwb s ASN 316 N 3.48 6.59 0.00 3.58 2.47 -1.26 -1.94 114.94 127.87 3hwb s ASN 316 Ca 0.40 2.41 0.17 0.00 0.42 0.00 0.00 52.86 56.26 3hwb s ASN 316 Cb -0.03 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 37.53 3hwb s ASN 316 CO -0.04 -0.95 1.21 1.67 -3.72 0.00 0.00 177.10 175.27 3hwb n GLN 317 N 6.88 2.05 -1.83 0.43 -0.06 0.44 -4.80 117.38 120.49 3hwb n GLN 317 Ca 0.18 -1.91 -0.42 0.00 -2.00 0.00 0.00 57.00 52.85 3hwb n GLN 317 Cb 0.42 -1.37 -0.03 0.00 -4.06 0.00 0.00 30.24 25.20 3hwb n GLN 317 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3hwb s ILE 318 N -1.23 2.55 0.58 1.69 -1.09 -1.02 -4.92 121.20 117.76 3hwb s ILE 318 Ca 0.27 0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 58.76 3hwb s ILE 318 Cb 0.16 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3hwb s ILE 318 CO 0.23 0.01 1.16 -0.62 -1.23 0.00 0.00 174.94 174.49 3hwb s ASP 319 N 1.82 5.41 0.31 3.58 2.15 -1.26 -4.54 116.67 124.14 3hwb s ASP 319 Ca 0.75 2.24 0.26 0.00 0.43 0.00 0.00 52.55 56.23 3hwb s ASP 319 Cb -0.45 -2.58 1.01 0.00 -0.30 0.00 0.00 42.92 40.60 3hwb s ASP 319 CO 0.33 -1.43 1.77 0.28 -0.17 0.00 0.00 175.17 175.95 3hwb h SER 320 N 0.92 0.00 0.82 -0.34 0.02 -1.93 -2.95 113.55 110.09 3hwb h SER 320 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3hwb h SER 320 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3hwb h SER 320 CO 0.56 0.00 -0.57 0.47 -1.14 0.00 0.00 176.83 176.14 3hwb n ASP 321 N -2.43 0.65 -1.43 3.07 8.00 -1.26 -4.98 116.55 118.17 3hwb n ASP 321 Ca 0.02 0.08 -0.20 0.00 0.71 0.00 0.00 54.79 55.40 3hwb n ASP 321 Cb 0.28 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3hwb n ASP 321 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3hwb n ASN 322 N -1.99 0.27 0.27 -2.24 2.85 -1.12 -4.78 115.26 108.51 3hwb n ASN 322 Ca 0.04 0.25 0.14 0.00 -0.11 0.00 0.00 54.58 54.90 3hwb n ASN 322 Cb 0.42 -0.30 0.71 0.00 1.24 0.00 0.00 39.78 41.85 3hwb n ASN 322 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3hwb h LYS 323 N 2.77 0.00 0.00 1.20 1.57 -1.93 -0.51 116.57 119.66 3hwb h LYS 323 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hwb h LYS 323 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hwb h LYS 323 CO 0.35 0.11 -0.25 1.28 -0.57 0.00 0.00 179.45 180.37 3hwb n LEU 324 N -3.39 0.71 -0.08 2.94 4.77 -1.26 -4.76 117.00 115.92 3hwb n LEU 324 Ca -0.01 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3hwb n LEU 324 Cb 0.28 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hwb n LEU 324 CO 0.29 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3hwb n GLY 325 N 1.34 0.94 3.74 -0.72 0.00 -0.20 -0.27 105.19 110.01 3hwb n GLY 325 Ca 0.05 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3hwb n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwb s VAL 326 N -2.16 3.59 0.23 1.61 1.01 -1.26 -4.74 120.40 118.68 3hwb s VAL 326 Ca 0.00 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 3hwb s VAL 326 Cb 0.00 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3hwb s VAL 326 CO 0.00 0.24 1.37 0.61 0.00 0.00 0.00 175.10 177.32 3hwb n GLY 327 N 2.02 0.67 0.01 4.51 0.00 -1.26 -4.83 105.19 106.31 3hwb n GLY 327 Ca 0.03 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.62 3hwb n GLY 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hwb n SER 328 N 2.10 1.22 -4.80 1.61 3.41 -0.74 -4.58 113.62 111.84 3hwb n SER 328 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.39 3hwb n SER 328 Cb 0.31 1.69 -0.02 0.00 -0.26 0.00 0.00 64.21 65.92 3hwb n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hwb s ASP 329 N -3.98 6.22 0.59 4.04 1.01 -0.62 -4.67 116.67 119.25 3hwb s ASP 329 Ca -0.06 1.91 -0.15 0.00 0.71 0.00 0.00 52.55 54.96 3hwb s ASP 329 Cb 0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 3hwb s ASP 329 CO 0.68 -0.87 1.04 -1.81 0.21 0.00 0.00 175.17 174.43 3hwb s ASP 330 N -2.14 5.97 -0.06 0.27 1.11 -1.26 -2.24 116.67 118.32 3hwb s ASP 330 Ca 0.67 1.72 0.01 0.00 0.18 0.00 0.00 52.55 55.12 3hwb s ASP 330 Cb -0.16 -2.52 0.02 0.00 1.07 0.00 0.00 42.92 41.33 3hwb s ASP 330 CO 0.23 -1.04 -0.06 -0.89 1.18 0.00 0.00 175.17 174.60 3hwb s THR 331 N -2.58 0.67 -0.13 -1.27 2.01 -1.20 -4.36 115.64 108.78 3hwb s THR 331 Ca 0.61 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 3hwb s THR 331 Cb -0.14 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 3hwb s THR 331 CO 0.38 0.27 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 3hwb s VAL 332 N 1.05 3.62 -0.14 3.82 1.01 0.00 -1.40 120.40 128.35 3hwb s VAL 332 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3hwb s VAL 332 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3hwb s VAL 332 CO -0.00 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 3hwb s ALA 333 N 0.15 2.12 -0.16 5.51 0.00 0.13 0.59 121.76 130.11 3hwb s ALA 333 Ca -0.03 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 3hwb s ALA 333 Cb -0.14 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 3hwb s ALA 333 CO 0.03 -0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.63 3hwb s VAL 334 N 0.95 2.79 0.01 0.00 1.01 -0.46 -0.16 120.40 124.54 3hwb s VAL 334 Ca -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3hwb s VAL 334 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3hwb s VAL 334 CO -0.04 0.51 -0.05 -0.83 0.00 0.00 0.00 175.10 174.69 3hwb s GLY 335 N 0.78 0.30 -0.16 4.51 0.00 -0.73 -1.07 107.32 110.94 3hwb s GLY 335 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.31 3hwb s GLY 335 CO 0.01 -0.36 -0.19 -1.50 0.00 0.00 0.00 173.10 171.05 3hwb s ILE 336 N -0.51 1.97 -0.11 0.90 2.07 -0.46 -1.84 121.20 123.21 3hwb s ILE 336 Ca -0.02 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.35 3hwb s ILE 336 Cb -0.04 -1.78 0.01 0.00 0.13 0.00 0.00 42.46 40.77 3hwb s ILE 336 CO -0.00 0.53 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.66 3hwb s VAL 337 N 1.21 1.89 -0.09 4.00 1.01 0.27 -0.36 120.40 128.33 3hwb s VAL 337 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3hwb s VAL 337 Cb -0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3hwb s VAL 337 CO -0.10 0.52 -0.12 -0.47 0.00 0.00 0.00 175.10 174.93 3hwb s TYR 338 N 0.62 2.80 0.02 5.22 5.04 -0.94 -1.64 117.35 128.47 3hwb s TYR 338 Ca -0.13 -0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 54.13 3hwb s TYR 338 Cb -0.17 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 3hwb s TYR 338 CO 0.03 0.01 -0.01 1.14 -1.34 0.00 0.00 175.55 175.39 3hwb s GLN 339 N -0.18 0.32 0.00 4.97 -2.07 -0.19 -1.16 119.66 121.34 3hwb s GLN 339 Ca 0.00 -0.55 0.00 0.00 -1.82 0.00 0.00 55.36 52.99 3hwb s GLN 339 Cb -0.13 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.90 3hwb s GLN 339 CO 0.03 -0.06 0.27 1.97 -1.32 0.00 0.00 175.29 176.19