#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxx s GLU 2 N 0.00 3.60 0.00 0.00 2.12 -1.26 -0.11 118.70 123.04 1hxx s GLU 2 Ca 0.00 0.54 0.17 0.00 0.36 0.00 0.00 54.97 56.04 1hxx s GLU 2 Cb 0.00 -3.98 0.26 0.00 0.26 0.00 0.00 34.13 30.67 1hxx s GLU 2 CO 0.00 -1.56 1.17 0.44 -0.54 0.00 0.00 175.26 174.77 1hxx n ILE 3 N 6.86 0.37 -3.64 -3.70 -5.35 -0.63 -4.95 119.36 108.31 1hxx n ILE 3 Ca 0.12 -0.68 -0.08 0.00 -0.27 0.00 0.00 62.75 61.83 1hxx n ILE 3 Cb 0.49 1.04 -0.07 0.00 -1.74 0.00 0.00 39.64 39.36 1hxx n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1hxx s TYR 4 N -1.26 -0.85 -0.36 4.28 5.04 -1.20 -5.00 117.35 117.99 1hxx s TYR 4 Ca 0.26 1.81 0.07 0.00 -2.44 0.00 0.00 57.07 56.77 1hxx s TYR 4 Cb 0.16 0.47 0.18 0.00 0.35 0.00 0.00 41.96 43.12 1hxx s TYR 4 CO 0.22 -0.42 0.59 1.21 -1.34 0.00 0.00 175.55 175.81 1hxx s ASN 5 N 1.13 -1.34 -0.16 4.32 3.84 -1.25 -1.10 114.94 120.39 1hxx s ASN 5 Ca -0.06 -0.46 -0.25 0.00 0.21 0.00 0.00 52.86 52.30 1hxx s ASN 5 Cb -0.05 1.88 0.06 0.00 -0.55 0.00 0.00 41.25 42.59 1hxx s ASN 5 CO -0.13 -0.23 0.65 -0.75 -2.79 0.00 0.00 177.10 173.85 1hxx s LYS 6 N 2.21 0.87 -1.53 0.43 2.20 -0.66 -4.97 119.74 118.29 1hxx s LYS 6 Ca 0.14 0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 56.22 1hxx s LYS 6 Cb -0.07 0.42 0.09 0.00 -1.51 0.00 0.00 37.83 36.75 1hxx s LYS 6 CO -0.15 -0.18 0.97 -0.25 -0.36 0.00 0.00 175.35 175.38 1hxx n ASP 7 N 1.98 -4.84 0.00 1.43 8.00 -1.26 -1.97 116.55 119.88 1hxx n ASP 7 Ca -0.16 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1hxx n ASP 7 Cb 0.56 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1hxx n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hxx n GLY 8 N -1.68 2.18 3.58 0.44 0.00 -1.26 -4.93 105.19 103.53 1hxx n GLY 8 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1hxx n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hxx s ASN 9 N -3.54 5.26 -0.07 1.61 2.47 -0.83 -0.87 114.94 118.97 1hxx s ASN 9 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 52.86 53.31 1hxx s ASN 9 Cb 0.00 -1.86 0.01 0.00 -1.45 0.00 0.00 41.25 37.95 1hxx s ASN 9 CO 0.00 0.19 -0.15 -1.59 -3.72 0.00 0.00 177.10 171.83 1hxx s LYS 10 N 0.26 1.97 -0.13 0.43 -2.85 -0.15 -1.65 119.74 117.62 1hxx s LYS 10 Ca 0.01 -0.54 0.01 0.00 -1.00 0.00 0.00 55.97 54.45 1hxx s LYS 10 Cb -0.13 -1.60 -0.01 0.00 -2.06 0.00 0.00 37.83 34.03 1hxx s LYS 10 CO 0.01 0.10 -0.16 0.08 0.10 0.00 0.00 175.35 175.48 1hxx s VAL 11 N 0.48 2.70 -0.24 1.79 1.01 -0.25 -1.73 120.40 124.15 1hxx s VAL 11 Ca -0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1hxx s VAL 11 Cb -0.15 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1hxx s VAL 11 CO 0.04 0.53 0.01 -0.62 0.00 0.00 0.00 175.10 175.06 1hxx s ASP 12 N 0.52 4.70 -0.31 3.32 3.68 0.15 -1.61 116.67 127.12 1hxx s ASP 12 Ca -0.10 -0.35 -0.09 0.00 2.13 0.00 0.00 52.55 54.14 1hxx s ASP 12 Cb -0.16 -1.82 0.00 0.00 -1.45 0.00 0.00 42.92 39.49 1hxx s ASP 12 CO 0.04 -0.04 0.13 -0.22 0.13 0.00 0.00 175.17 175.21 1hxx s LEU 13 N 1.53 4.08 0.26 -1.34 2.96 0.84 -0.43 118.68 126.59 1hxx s LEU 13 Ca 0.06 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1hxx s LEU 13 Cb -0.15 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 1hxx s LEU 13 CO -0.00 -0.21 -0.02 -0.72 -1.32 0.00 0.00 176.35 174.08 1hxx s TYR 14 N 1.57 1.78 0.00 5.38 -0.85 0.27 0.21 117.35 125.71 1hxx s TYR 14 Ca 0.04 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 1hxx s TYR 14 Cb -0.17 -1.05 0.00 0.00 0.38 0.00 0.00 41.96 41.12 1hxx s TYR 14 CO 0.05 0.10 0.00 0.41 -1.52 0.00 0.00 175.55 174.59 1hxx n GLY 15 N -0.53 -0.58 3.48 5.49 0.00 -0.90 -0.54 105.19 111.62 1hxx n GLY 15 Ca -0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1hxx n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxx s LYS 16 N -2.00 1.09 -0.23 1.61 -2.85 -0.76 -1.67 119.74 114.93 1hxx s LYS 16 Ca 0.00 -0.10 0.01 0.00 -1.00 0.00 0.00 55.97 54.88 1hxx s LYS 16 Cb 0.00 0.51 0.06 0.00 -2.06 0.00 0.00 37.83 36.34 1hxx s LYS 16 CO 0.00 -0.42 -0.07 0.00 0.10 0.00 0.00 175.35 174.97 1hxx s ALA 17 N -2.40 2.01 -0.36 0.59 0.00 -0.69 -0.58 121.76 120.33 1hxx s ALA 17 Ca -0.04 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 1hxx s ALA 17 Cb -0.01 -1.41 0.06 0.00 0.00 0.00 0.00 23.12 21.77 1hxx s ALA 17 CO -0.02 -1.11 0.13 0.08 0.00 0.00 0.00 175.76 174.84 1hxx s VAL 18 N 1.38 3.62 -0.32 0.00 1.01 0.70 -2.36 120.40 124.43 1hxx s VAL 18 Ca -0.05 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.28 1hxx s VAL 18 Cb -0.18 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1hxx s VAL 18 CO -0.06 -0.31 0.99 -0.83 0.00 0.00 0.00 175.10 174.89 1hxx s GLY 19 N 1.57 1.59 -0.02 4.51 0.00 -0.16 -1.84 107.32 112.99 1hxx s GLY 19 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 1hxx s GLY 19 CO 0.01 2.12 0.04 -2.27 0.00 0.00 0.00 173.10 172.99 1hxx s LEU 20 N 3.46 1.47 -0.03 0.66 2.96 -1.26 -0.89 118.68 125.05 1hxx s LEU 20 Ca 0.41 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1hxx s LEU 20 Cb -0.13 0.04 0.03 0.00 0.50 0.00 0.00 46.19 46.63 1hxx s LEU 20 CO 0.15 -0.07 0.04 -2.28 -1.32 0.00 0.00 176.35 172.87 1hxx s HIS 21 N 0.55 0.07 -0.16 5.38 5.65 -0.81 0.04 115.29 126.01 1hxx s HIS 21 Ca -0.04 0.15 -0.09 0.00 0.25 0.00 0.00 55.06 55.33 1hxx s HIS 21 Cb -0.06 -0.33 -0.05 0.00 -1.18 0.00 0.00 32.58 30.96 1hxx s HIS 21 CO -0.02 -0.12 0.14 0.71 -0.65 0.00 0.00 174.74 174.80 1hxx s TYR 22 N 1.40 3.50 -0.23 3.88 1.51 -0.49 -1.37 117.35 125.54 1hxx s TYR 22 Ca -0.05 0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 56.44 1hxx s TYR 22 Cb -0.13 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1hxx s TYR 22 CO -0.03 0.50 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.75 1hxx s PHE 23 N -0.29 3.02 0.20 2.71 0.40 0.19 -0.41 117.98 123.80 1hxx s PHE 23 Ca 0.12 -1.65 -0.04 0.00 -0.60 0.00 0.00 56.93 54.76 1hxx s PHE 23 Cb -0.12 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1hxx s PHE 23 CO 0.01 -0.76 0.19 -1.12 0.70 0.00 0.00 175.22 174.24 1hxx s SER 24 N 1.29 0.12 0.30 1.36 0.01 -1.26 -0.86 113.70 114.67 1hxx s SER 24 Ca 0.00 -1.25 0.03 0.00 1.31 0.00 0.00 55.95 56.04 1hxx s SER 24 Cb -0.16 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 1hxx s SER 24 CO -0.07 -0.88 0.47 -0.54 0.41 0.00 0.00 173.24 172.63 1hxx s LYS 25 N -4.11 3.41 0.00 12.44 1.02 -1.26 -4.95 119.74 126.29 1hxx s LYS 25 Ca 0.33 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1hxx s LYS 25 Cb 0.05 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1hxx s LYS 25 CO 0.09 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1hxx n GLY 26 N -1.62 -0.13 2.81 -3.33 0.00 -1.26 -4.58 105.19 97.09 1hxx n GLY 26 Ca -0.06 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1hxx n GLY 26 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hxx n ASN 27 N 0.00 7.44 -1.12 1.61 5.15 -1.26 -4.93 115.26 122.16 1hxx n ASN 27 Ca 0.00 -3.78 0.04 0.00 -0.60 0.00 0.00 54.58 50.24 1hxx n ASN 27 Cb 0.00 -1.10 0.20 0.00 -0.53 0.00 0.00 39.78 38.35 1hxx n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hxx n GLY 28 N -0.36 1.97 0.00 8.20 0.00 -1.26 -4.89 105.19 108.85 1hxx n GLY 28 Ca 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1hxx n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hxx n GLU 29 N 0.38 0.00 -0.18 1.61 1.02 -1.26 -1.61 120.64 120.60 1hxx n GLU 29 Ca 0.14 0.28 0.06 0.00 -0.02 0.00 0.00 57.16 57.62 1hxx n GLU 29 Cb 0.66 -1.70 0.08 0.00 -0.02 0.00 0.00 31.44 30.46 1hxx n GLU 29 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1hxx n ASN 30 N -1.28 1.59 -4.82 1.62 5.15 -1.26 -4.73 115.26 111.54 1hxx n ASN 30 Ca 0.00 -2.61 -0.22 0.00 -0.60 0.00 0.00 54.58 51.15 1hxx n ASN 30 Cb 0.20 -0.31 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 1hxx n ASN 30 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1hxx s SER 31 N -2.09 5.33 0.09 1.20 1.04 -0.63 0.13 113.70 118.76 1hxx s SER 31 Ca 0.19 -0.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.94 1hxx s SER 31 Cb 0.17 -1.18 -0.15 0.00 0.10 0.00 0.00 66.02 64.96 1hxx s SER 31 CO 0.02 -0.16 1.65 0.22 0.98 0.00 0.00 173.24 175.95 1hxx h TYR 32 N 1.43 -0.65 0.00 5.02 3.20 -1.34 -3.37 116.97 121.27 1hxx h TYR 32 Ca -0.47 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1hxx h TYR 32 Cb 1.25 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.75 1hxx h TYR 32 CO 0.56 -0.38 -1.20 0.41 -1.64 0.00 0.00 178.16 175.91 1hxx n GLY 33 N -1.38 -0.52 0.00 1.82 0.00 -1.26 -5.04 105.19 98.81 1hxx n GLY 33 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1hxx n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxx n GLY 34 N 1.51 -1.14 3.35 -0.02 0.00 -1.26 -5.06 105.19 102.56 1hxx n GLY 34 Ca -0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 1hxx n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hxx s ASN 35 N -4.00 -0.37 0.00 1.61 2.47 -1.26 -4.15 114.94 109.24 1hxx s ASN 35 Ca 0.00 0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.59 1hxx s ASN 35 Cb 0.00 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.20 1hxx s ASN 35 CO 0.00 -0.52 0.00 0.61 -3.72 0.00 0.00 177.10 173.47 1hxx n GLY 36 N 1.10 -2.74 3.73 1.21 0.00 0.46 -4.87 105.19 104.07 1hxx n GLY 36 Ca -0.20 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 1hxx n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hxx s ASP 37 N -2.21 6.56 -0.04 1.61 2.15 -1.26 -1.40 116.67 122.08 1hxx s ASP 37 Ca 0.00 2.70 0.05 0.00 0.43 0.00 0.00 52.55 55.73 1hxx s ASP 37 Cb 0.00 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1hxx s ASP 37 CO 0.00 -0.82 0.95 0.23 -0.17 0.00 0.00 175.17 175.36 1hxx n MET 38 N 3.31 0.77 -1.56 4.34 2.81 0.11 -4.86 117.12 122.04 1hxx n MET 38 Ca 0.11 -1.43 -0.51 0.00 -1.81 0.00 0.00 57.70 54.07 1hxx n MET 38 Cb 0.38 -0.85 -0.05 0.00 -0.71 0.00 0.00 33.22 31.99 1hxx n MET 38 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1hxx n THR 39 N -0.48 0.64 -4.01 2.03 -1.04 -1.10 -4.68 114.28 105.65 1hxx n THR 39 Ca 0.05 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.05 61.80 1hxx n THR 39 Cb 0.59 -0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 1hxx n THR 39 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1hxx s TYR 40 N -0.06 0.48 0.11 -1.42 1.13 -0.76 0.28 117.35 117.10 1hxx s TYR 40 Ca 0.77 -0.82 0.03 0.00 -1.41 0.00 0.00 57.07 55.65 1hxx s TYR 40 Cb -0.93 0.00 -0.04 0.00 -1.10 0.00 0.00 41.96 39.89 1hxx s TYR 40 CO 0.52 -0.85 -0.09 0.00 -2.51 0.00 0.00 175.55 172.62 1hxx s ALA 41 N -4.02 1.18 0.04 9.51 0.00 0.41 -0.21 121.76 128.67 1hxx s ALA 41 Ca 0.23 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.93 1hxx s ALA 41 Cb 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1hxx s ALA 41 CO 0.06 -0.10 -0.17 1.03 0.00 0.00 0.00 175.76 176.58 1hxx s ARG 42 N -3.32 1.14 -0.00 0.00 1.81 0.26 -1.28 118.95 117.56 1hxx s ARG 42 Ca 0.10 -0.85 0.01 0.00 -1.72 0.00 0.00 55.73 53.27 1hxx s ARG 42 Cb 0.01 -1.20 -0.00 0.00 -0.45 0.00 0.00 34.95 33.30 1hxx s ARG 42 CO -0.01 0.30 -0.02 -1.17 -0.68 0.00 0.00 175.30 173.72 1hxx s LEU 43 N -1.17 2.01 0.24 2.53 2.96 -0.82 -1.83 118.68 122.60 1hxx s LEU 43 Ca 0.04 -0.06 -0.22 0.00 -0.22 0.00 0.00 54.13 53.67 1hxx s LEU 43 Cb -0.08 -0.12 0.04 0.00 0.50 0.00 0.00 46.19 46.53 1hxx s LEU 43 CO 0.02 0.02 0.70 -0.83 -1.32 0.00 0.00 176.35 174.93 1hxx s GLY 44 N -0.11 -0.25 0.06 7.98 0.00 0.30 -0.56 107.32 114.73 1hxx s GLY 44 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.71 1hxx s GLY 44 CO -0.00 -0.01 -0.10 -0.11 0.00 0.00 0.00 173.10 172.88 1hxx s PHE 45 N -3.83 0.88 -0.06 1.90 -0.12 -0.11 -0.57 117.98 116.06 1hxx s PHE 45 Ca 0.08 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.43 1hxx s PHE 45 Cb -0.04 -0.51 0.03 0.00 -0.63 0.00 0.00 43.02 41.86 1hxx s PHE 45 CO 0.01 -0.04 -0.00 0.15 -0.05 0.00 0.00 175.22 175.29 1hxx s LYS 46 N -1.84 0.56 0.19 1.99 1.02 0.43 -1.58 119.74 120.51 1hxx s LYS 46 Ca -0.05 0.09 0.11 0.00 0.02 0.00 0.00 55.97 56.14 1hxx s LYS 46 Cb -0.09 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1hxx s LYS 46 CO 0.01 -0.26 -0.23 0.20 -0.92 0.00 0.00 175.35 174.15 1hxx s GLY 47 N 1.74 1.64 -0.21 -3.33 0.00 0.10 0.31 107.32 107.57 1hxx s GLY 47 Ca 0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 1hxx s GLY 47 CO -0.04 -1.64 0.47 1.85 0.00 0.00 0.00 173.10 173.74 1hxx s GLU 48 N -2.71 0.42 -0.05 2.90 2.12 -0.71 -1.52 118.70 119.16 1hxx s GLU 48 Ca 0.20 0.99 0.05 0.00 0.36 0.00 0.00 54.97 56.57 1hxx s GLU 48 Cb -0.07 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 1hxx s GLU 48 CO 0.09 -0.19 -0.20 -0.08 -0.54 0.00 0.00 175.26 174.34 1hxx s THR 49 N 1.99 1.68 -0.48 -1.70 -1.32 -0.26 -0.98 115.64 114.57 1hxx s THR 49 Ca -0.06 -0.85 -0.22 0.00 -1.21 0.00 0.00 61.69 59.34 1hxx s THR 49 Cb -0.10 -1.43 0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1hxx s THR 49 CO -0.14 0.47 0.76 -1.10 -2.21 0.00 0.00 174.62 172.40 1hxx s GLN 50 N -0.00 3.31 -0.00 7.08 -0.21 -0.05 -1.33 119.66 128.45 1hxx s GLN 50 Ca -0.05 -0.35 -0.20 0.00 0.02 0.00 0.00 55.36 54.79 1hxx s GLN 50 Cb -0.13 -4.00 -0.25 0.00 1.00 0.00 0.00 33.01 29.63 1hxx s GLN 50 CO 0.03 -1.20 1.06 0.82 -2.12 0.00 0.00 175.29 173.88 1hxx h ILE 51 N 5.95 1.43 -2.28 1.08 2.04 -1.33 -3.46 117.51 120.94 1hxx h ILE 51 Ca -0.26 -2.20 -0.03 0.00 1.00 0.00 0.00 64.86 63.37 1hxx h ILE 51 Cb 1.09 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1hxx h ILE 51 CO 0.98 0.64 0.02 -0.46 0.00 0.00 0.00 178.15 179.33 1hxx n ASN 52 N -4.16 -0.39 0.26 1.72 0.23 -1.14 -4.99 115.26 106.79 1hxx n ASN 52 Ca -0.11 -1.34 0.10 0.00 -0.53 0.00 0.00 54.58 52.69 1hxx n ASN 52 Cb 0.73 0.67 0.68 0.00 -2.08 0.00 0.00 39.78 39.78 1hxx n ASN 52 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1hxx h SER 53 N 0.40 0.00 0.00 0.53 0.02 -2.03 -2.89 113.55 109.58 1hxx h SER 53 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1hxx h SER 53 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1hxx h SER 53 CO 0.08 0.06 -1.88 0.47 -1.14 0.00 0.00 176.83 174.42 1hxx n ASP 54 N -4.22 0.25 -4.22 3.07 8.00 -1.26 -4.92 116.55 113.26 1hxx n ASP 54 Ca -0.03 -0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.06 1hxx n ASP 54 Cb 0.15 1.89 -0.15 0.00 -0.02 0.00 0.00 41.12 42.98 1hxx n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1hxx s LEU 55 N -4.34 2.41 -0.04 0.64 2.96 -1.09 0.77 118.68 119.99 1hxx s LEU 55 Ca -0.06 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1hxx s LEU 55 Cb 0.14 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1hxx s LEU 55 CO 0.87 0.04 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.83 1hxx s THR 56 N 1.07 2.37 0.13 3.68 2.01 0.36 -0.86 115.64 124.41 1hxx s THR 56 Ca -0.00 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.07 1hxx s THR 56 Cb -0.14 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1hxx s THR 56 CO -0.05 0.58 0.03 -0.83 -0.69 0.00 0.00 174.62 173.67 1hxx s GLY 57 N -0.56 1.83 0.11 4.40 0.00 -0.44 0.62 107.32 113.28 1hxx s GLY 57 Ca 0.08 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.42 1hxx s GLY 57 CO 0.00 -1.20 0.45 -2.52 0.00 0.00 0.00 173.10 169.83 1hxx s TYR 58 N -1.52 -0.29 -0.04 1.90 -0.85 -0.37 -1.10 117.35 115.07 1hxx s TYR 58 Ca 0.27 0.07 -0.19 0.00 -0.52 0.00 0.00 57.07 56.70 1hxx s TYR 58 Cb -0.11 0.31 0.04 0.00 0.38 0.00 0.00 41.96 42.58 1hxx s TYR 58 CO 0.20 -0.70 0.41 0.20 -1.52 0.00 0.00 175.55 174.13 1hxx s GLY 59 N -2.60 -0.27 -0.05 5.49 0.00 -0.57 -0.91 107.32 108.40 1hxx s GLY 59 Ca 0.01 0.66 -0.08 0.00 0.00 0.00 0.00 44.72 45.30 1hxx s GLY 59 CO -0.10 0.42 0.20 1.62 0.00 0.00 0.00 173.10 175.25 1hxx s GLN 60 N -1.12 0.36 -0.06 2.90 0.74 -0.15 -0.72 119.66 121.60 1hxx s GLN 60 Ca -0.11 0.05 -0.05 0.00 0.05 0.00 0.00 55.36 55.30 1hxx s GLN 60 Cb -0.04 0.16 0.02 0.00 1.10 0.00 0.00 33.01 34.26 1hxx s GLN 60 CO 0.05 -0.07 0.16 -0.46 -0.55 0.00 0.00 175.29 174.43 1hxx s TRP 61 N -0.45 -0.19 -0.11 1.67 -0.00 -0.61 -1.89 118.94 117.36 1hxx s TRP 61 Ca -0.06 0.47 -0.08 0.00 -0.00 0.00 0.00 56.10 56.44 1hxx s TRP 61 Cb -0.04 0.03 0.04 0.00 -0.00 0.00 0.00 33.47 33.50 1hxx s TRP 61 CO 0.01 -0.11 0.28 -2.00 -0.00 0.00 0.00 176.95 175.12 1hxx s GLU 62 N 0.39 0.28 0.12 5.86 2.12 -0.44 -0.94 118.70 126.09 1hxx s GLU 62 Ca -0.02 0.48 0.08 0.00 0.36 0.00 0.00 54.97 55.86 1hxx s GLU 62 Cb -0.04 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1hxx s GLU 62 CO -0.02 -0.10 -0.18 -0.47 -0.54 0.00 0.00 175.26 173.95 1hxx s TYR 63 N 0.69 1.68 -0.20 5.30 5.04 0.27 0.62 117.35 130.75 1hxx s TYR 63 Ca -0.04 -0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 54.11 1hxx s TYR 63 Cb -0.06 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.37 1hxx s TYR 63 CO -0.04 0.22 -0.11 1.21 -1.34 0.00 0.00 175.55 175.49 1hxx s ASN 64 N -2.22 3.82 -0.31 4.32 2.47 0.58 -1.94 114.94 121.65 1hxx s ASN 64 Ca 0.09 -0.49 -0.05 0.00 0.42 0.00 0.00 52.86 52.83 1hxx s ASN 64 Cb -0.08 -1.63 0.03 0.00 -1.45 0.00 0.00 41.25 38.13 1hxx s ASN 64 CO 0.05 -0.00 0.06 -0.36 -3.72 0.00 0.00 177.10 173.12 1hxx s PHE 65 N 1.35 3.22 0.46 0.43 0.08 -0.40 -2.01 117.98 121.09 1hxx s PHE 65 Ca 0.05 -1.45 -0.23 0.00 0.12 0.00 0.00 56.93 55.41 1hxx s PHE 65 Cb -0.14 -2.21 -0.07 0.00 -0.57 0.00 0.00 43.02 40.03 1hxx s PHE 65 CO -0.07 -0.72 1.22 -0.65 -0.10 0.00 0.00 175.22 174.91 1hxx s GLN 66 N 1.38 3.72 -0.09 0.44 -1.52 -1.26 -0.45 119.66 121.88 1hxx s GLN 66 Ca -0.01 1.92 0.13 0.00 -1.95 0.00 0.00 55.36 55.44 1hxx s GLN 66 Cb -0.19 -2.47 0.29 0.00 -0.22 0.00 0.00 33.01 30.42 1hxx s GLN 66 CO 0.01 -0.62 1.21 0.41 -0.25 0.00 0.00 175.29 176.05 1hxx n GLY 67 N 0.55 3.88 0.49 3.09 0.00 0.14 -4.57 105.19 108.77 1hxx n GLY 67 Ca 0.07 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.43 1hxx n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hxx n ASN 68 N -0.65 1.84 -4.75 1.61 6.94 -1.14 -4.70 115.26 114.41 1hxx n ASN 68 Ca 0.13 -3.72 -0.23 0.00 -0.02 0.00 0.00 54.58 50.74 1hxx n ASN 68 Cb 0.58 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1hxx n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1hxx s ASN 69 N -3.15 5.12 1.05 0.53 0.01 -1.26 -5.02 114.94 112.22 1hxx s ASN 69 Ca 0.37 -0.39 -0.18 0.00 -0.71 0.00 0.00 52.86 51.95 1hxx s ASN 69 Cb 0.35 -1.18 0.24 0.00 0.41 0.00 0.00 41.25 41.07 1hxx s ASN 69 CO -0.05 -0.01 1.30 -0.94 -1.51 0.00 0.00 177.10 175.90 1hxx s SER 70 N -3.65 2.32 0.00 -1.22 1.04 -1.26 -4.94 113.70 105.98 1hxx s SER 70 Ca 0.32 0.24 0.17 0.00 0.48 0.00 0.00 55.95 57.15 1hxx s SER 70 Cb -0.08 -0.23 0.52 0.00 0.10 0.00 0.00 66.02 66.34 1hxx s SER 70 CO 0.23 -3.23 1.41 -0.62 0.98 0.00 0.00 173.24 172.01 1hxx n GLU 71 N -4.09 1.90 0.00 4.02 1.02 -1.26 -3.70 120.64 118.53 1hxx n GLU 71 Ca 0.16 -1.37 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 1hxx n GLU 71 Cb 0.59 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1hxx n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hxx n GLY 72 N 1.17 1.13 0.32 0.62 0.00 -1.26 -4.83 105.19 102.34 1hxx n GLY 72 Ca 0.15 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.70 1hxx n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxx h ALA 73 N -1.77 1.94 -0.22 4.61 0.00 -2.03 -2.07 119.26 119.71 1hxx h ALA 73 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hxx h ALA 73 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1hxx h ALA 73 CO 0.00 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.84 1hxx n ASP 74 N -4.48 1.48 -0.34 0.00 5.75 -1.26 -4.57 116.55 113.13 1hxx n ASP 74 Ca 0.05 -1.85 0.22 0.00 -0.01 0.00 0.00 54.79 53.20 1hxx n ASP 74 Cb 0.23 -0.15 0.46 0.00 -1.03 0.00 0.00 41.12 40.64 1hxx n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hxx h ALA 75 N 3.73 2.06 -0.01 2.12 0.00 -1.45 -1.39 119.26 124.32 1hxx h ALA 75 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hxx h ALA 75 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hxx h ALA 75 CO 0.00 -0.53 -0.13 1.04 0.00 0.00 0.00 179.25 179.63 1hxx n GLN 76 N -4.77 1.08 -1.66 0.00 1.13 -1.26 -4.85 117.38 107.04 1hxx n GLN 76 Ca 0.27 -0.56 -0.50 0.00 -1.94 0.00 0.00 57.00 54.28 1hxx n GLN 76 Cb 0.87 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.68 1hxx n GLN 76 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1hxx n THR 77 N -0.48 0.21 -0.55 5.09 -1.04 -0.53 -1.26 114.28 115.72 1hxx n THR 77 Ca 0.15 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1hxx n THR 77 Cb 0.32 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1hxx n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hxx n GLY 78 N 3.60 1.67 3.76 3.41 0.00 -1.26 -4.63 105.19 111.74 1hxx n GLY 78 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1hxx n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hxx s ASN 79 N -3.33 7.31 -0.19 1.61 -0.87 -0.39 -4.58 114.94 114.50 1hxx s ASN 79 Ca 0.00 2.17 -0.35 0.00 -1.57 0.00 0.00 52.86 53.12 1hxx s ASN 79 Cb 0.00 -2.62 0.14 0.00 -0.02 0.00 0.00 41.25 38.75 1hxx s ASN 79 CO 0.00 -0.11 1.20 -1.59 -2.57 0.00 0.00 177.10 174.03 1hxx s LYS 80 N -1.49 0.32 0.02 -0.60 0.00 -0.85 -5.00 119.74 112.14 1hxx s LYS 80 Ca 0.45 -0.11 -0.30 0.00 0.00 0.00 0.00 55.97 56.01 1hxx s LYS 80 Cb -0.30 0.15 -0.03 0.00 0.00 0.00 0.00 37.83 37.65 1hxx s LYS 80 CO 0.38 -0.14 0.98 0.99 0.00 0.00 0.00 175.35 177.55 1hxx s THR 81 N -2.41 4.80 -0.19 3.79 2.01 -1.26 -0.31 115.64 122.07 1hxx s THR 81 Ca 0.09 2.06 -0.09 0.00 0.31 0.00 0.00 61.69 64.06 1hxx s THR 81 Cb -0.01 -4.32 -0.21 0.00 0.01 0.00 0.00 72.50 67.98 1hxx s THR 81 CO -0.05 0.19 0.09 0.54 -0.69 0.00 0.00 174.62 174.70 1hxx n ARG 82 N 3.71 0.67 -4.25 4.92 1.74 0.20 -4.94 116.66 118.71 1hxx n ARG 82 Ca 0.05 0.30 -0.17 0.00 -0.77 0.00 0.00 57.85 57.27 1hxx n ARG 82 Cb 0.51 -1.64 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 1hxx n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hxx s LEU 83 N -7.16 2.04 -0.29 0.55 1.43 -1.13 -4.71 118.68 109.41 1hxx s LEU 83 Ca -0.29 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1hxx s LEU 83 Cb 0.08 -0.36 0.20 0.00 0.03 0.00 0.00 46.19 46.14 1hxx s LEU 83 CO 0.65 0.06 0.62 0.00 0.23 0.00 0.00 176.35 177.91 1hxx s ALA 84 N -0.30 -2.51 0.11 4.21 0.00 -0.53 -1.33 121.76 121.42 1hxx s ALA 84 Ca 0.02 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1hxx s ALA 84 Cb -0.04 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.55 1hxx s ALA 84 CO -0.00 -1.86 0.37 -0.59 0.00 0.00 0.00 175.76 173.68 1hxx s PHE 85 N 2.81 -0.15 0.05 0.00 -0.12 -0.79 0.48 117.98 120.25 1hxx s PHE 85 Ca 0.11 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.85 1hxx s PHE 85 Cb -0.09 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 1hxx s PHE 85 CO -0.25 -0.67 -0.06 0.00 -0.05 0.00 0.00 175.22 174.19 1hxx s ALA 86 N -3.70 0.55 0.29 1.99 0.00 -1.01 -0.97 121.76 118.90 1hxx s ALA 86 Ca 0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1hxx s ALA 86 Cb 0.02 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.29 1hxx s ALA 86 CO -0.11 -0.11 0.69 0.41 0.00 0.00 0.00 175.76 176.64 1hxx n GLY 87 N 1.14 1.08 3.04 0.00 0.00 -0.09 -1.62 105.19 108.74 1hxx n GLY 87 Ca -0.21 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 1hxx n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hxx s LEU 88 N 0.00 2.07 -0.10 0.99 1.43 0.01 -1.24 118.68 121.83 1hxx s LEU 88 Ca 0.14 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1hxx s LEU 88 Cb -0.04 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.76 1hxx s LEU 88 CO 0.09 0.06 -0.16 -0.75 0.23 0.00 0.00 176.35 175.82 1hxx s LYS 89 N -0.49 2.23 -0.24 1.70 2.20 0.20 -1.06 119.74 124.28 1hxx s LYS 89 Ca 0.02 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1hxx s LYS 89 Cb -0.05 -1.86 0.06 0.00 -1.51 0.00 0.00 37.83 34.48 1hxx s LYS 89 CO -0.00 -0.02 -0.07 -0.47 -0.36 0.00 0.00 175.35 174.43 1hxx s TYR 90 N 0.85 2.61 0.00 4.03 5.04 -0.14 -0.48 117.35 129.26 1hxx s TYR 90 Ca -0.10 -1.89 0.00 0.00 -2.44 0.00 0.00 57.07 52.65 1hxx s TYR 90 Cb -0.15 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1hxx s TYR 90 CO 0.01 -0.80 0.00 0.00 -1.34 0.00 0.00 175.55 173.42 1hxx n ALA 91 N 4.61 0.00 -0.42 3.97 0.00 0.23 -0.80 120.51 128.10 1hxx n ALA 91 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1hxx n ALA 91 Cb 0.44 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.22 1hxx n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hxx n ASP 92 N 1.39 4.17 0.15 0.00 8.00 -1.26 -4.31 116.55 124.68 1hxx n ASP 92 Ca 0.00 -2.10 0.03 0.00 0.71 0.00 0.00 54.79 53.42 1hxx n ASP 92 Cb 0.00 -0.52 0.10 0.00 -0.02 0.00 0.00 41.12 40.68 1hxx n ASP 92 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1hxx h VAL 93 N 4.29 0.91 0.00 2.53 2.07 -1.30 -3.36 116.25 121.39 1hxx h VAL 93 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1hxx h VAL 93 Cb 1.10 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1hxx h VAL 93 CO 0.06 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1hxx n GLY 94 N 0.99 0.76 3.35 2.17 0.00 -1.15 -4.88 105.19 106.42 1hxx n GLY 94 Ca 0.01 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.56 1hxx n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hxx s SER 95 N -1.26 2.89 -0.03 1.61 1.04 -0.46 -0.96 113.70 116.53 1hxx s SER 95 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1hxx s SER 95 Cb 0.00 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.96 1hxx s SER 95 CO 0.00 0.06 -0.00 0.12 0.98 0.00 0.00 173.24 174.40 1hxx s PHE 96 N -1.52 0.29 0.05 5.02 5.36 -0.23 -1.80 117.98 125.14 1hxx s PHE 96 Ca 0.13 0.00 -0.03 0.00 -0.96 0.00 0.00 56.93 56.08 1hxx s PHE 96 Cb -0.08 -0.36 -0.03 0.00 -0.34 0.00 0.00 43.02 42.20 1hxx s PHE 96 CO 0.06 -0.11 0.02 0.16 -1.46 0.00 0.00 175.22 173.89 1hxx s ASP 97 N 0.88 0.38 0.00 6.13 1.47 -0.65 -0.81 116.67 124.06 1hxx s ASP 97 Ca -0.09 -0.85 -0.01 0.00 1.18 0.00 0.00 52.55 52.78 1hxx s ASP 97 Cb -0.12 0.22 -0.01 0.00 -0.34 0.00 0.00 42.92 42.67 1hxx s ASP 97 CO -0.02 -0.59 0.01 -0.47 0.68 0.00 0.00 175.17 174.79 1hxx s TYR 98 N -3.57 0.09 -5.00 2.11 5.04 -0.64 -1.11 117.35 114.27 1hxx s TYR 98 Ca 0.04 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1hxx s TYR 98 Cb 0.05 -0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.29 1hxx s TYR 98 CO -0.09 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 1hxx n GLY 99 N 2.39 0.71 3.59 8.97 0.00 -1.02 -2.41 105.19 117.41 1hxx n GLY 99 Ca -0.17 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1hxx n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hxx s ARG 100 N -2.00 3.78 0.33 1.61 3.52 0.18 -2.00 118.95 124.37 1hxx s ARG 100 Ca 0.00 0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.79 1hxx s ARG 100 Cb 0.00 -3.78 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1hxx s ARG 100 CO 0.00 -0.74 0.51 1.21 -0.81 0.00 0.00 175.30 175.47 1hxx s ASN 101 N 1.76 0.64 0.25 -2.12 3.84 -0.95 -1.45 114.94 116.90 1hxx s ASN 101 Ca 0.28 -1.36 -0.30 0.00 0.21 0.00 0.00 52.86 51.69 1hxx s ASN 101 Cb -0.14 0.67 -0.09 0.00 -0.55 0.00 0.00 41.25 41.14 1hxx s ASN 101 CO 0.15 -1.31 1.22 -0.31 -2.79 0.00 0.00 177.10 174.05 1hxx s TYR 102 N -3.13 3.35 0.69 0.43 2.02 -1.26 -1.11 117.35 118.34 1hxx s TYR 102 Ca 0.28 1.46 -0.15 0.00 -0.37 0.00 0.00 57.07 58.28 1hxx s TYR 102 Cb -0.01 -3.48 0.02 0.00 -0.40 0.00 0.00 41.96 38.09 1hxx s TYR 102 CO 0.17 -1.30 1.16 0.20 -1.57 0.00 0.00 175.55 174.21 1hxx s GLY 103 N -0.24 2.27 0.51 0.71 0.00 0.79 -4.92 107.32 106.44 1hxx s GLY 103 Ca 0.50 0.73 0.19 0.00 0.00 0.00 0.00 44.72 46.14 1hxx s GLY 103 CO 0.42 1.11 2.11 -0.39 0.00 0.00 0.00 173.10 176.35 1hxx h VAL 104 N -0.11 0.93 0.00 1.40 -1.51 -1.89 -2.07 116.25 113.00 1hxx h VAL 104 Ca -0.47 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1hxx h VAL 104 Cb 1.27 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1hxx h VAL 104 CO 0.52 0.07 0.00 0.58 -1.23 0.00 0.00 177.57 177.50 1hxx h VAL 105 N 0.00 0.00 0.00 7.19 2.07 -1.57 -1.41 116.25 122.52 1hxx h VAL 105 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1hxx h VAL 105 Cb 0.13 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1hxx h VAL 105 CO 0.01 0.00 0.00 0.15 0.02 0.00 0.00 177.57 177.75 1hxx h PHE 106 N 0.00 0.00 -0.74 1.57 3.57 -1.37 -1.49 116.94 118.49 1hxx h PHE 106 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1hxx h PHE 106 Cb 0.40 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1hxx h PHE 106 CO 0.00 0.00 0.48 -0.44 -2.23 0.00 0.00 178.31 176.12 1hxx h ASP 107 N 0.00 0.72 0.08 0.41 5.19 -1.38 0.91 116.42 122.35 1hxx h ASP 107 Ca 0.00 -0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1hxx h ASP 107 Cb 0.36 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1hxx h ASP 107 CO 0.00 0.48 -1.56 0.00 -3.12 0.00 0.00 179.24 175.05 1hxx h ALA 108 N 1.59 0.30 0.00 3.45 0.00 -1.47 -3.40 119.26 119.73 1hxx h ALA 108 Ca 0.31 -1.24 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 1hxx h ALA 108 Cb 0.16 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1hxx h ALA 108 CO -0.10 0.95 -0.02 -0.07 0.00 0.00 0.00 179.25 180.02 1hxx h LEU 109 N -0.43 0.00 -2.40 0.00 3.38 -1.29 -2.02 115.31 112.55 1hxx h LEU 109 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1hxx h LEU 109 Cb 1.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1hxx h LEU 109 CO -0.03 0.02 -0.02 1.23 0.09 0.00 0.00 178.44 179.73 1hxx h GLY 110 N 0.86 0.00 0.59 0.83 0.00 -1.02 -3.00 103.07 101.32 1hxx h GLY 110 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1hxx h GLY 110 CO 0.00 0.00 0.25 -0.97 0.00 0.00 0.00 176.54 175.82 1hxx h TYR 111 N 0.00 0.44 -0.19 5.60 -1.99 -1.62 -2.92 116.97 116.29 1hxx h TYR 111 Ca -0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1hxx h TYR 111 Cb 0.18 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1hxx h TYR 111 CO 0.00 0.18 0.00 0.25 -0.00 0.00 0.00 178.16 178.59 1hxx n THR 112 N -4.93 0.23 -2.01 -2.88 -2.24 -1.14 -4.65 114.28 96.66 1hxx n THR 112 Ca 0.06 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1hxx n THR 112 Cb 0.19 1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1hxx n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1hxx n ASP 113 N 1.34 5.95 -0.09 3.42 2.03 -1.10 -4.31 116.55 123.77 1hxx n ASP 113 Ca 0.16 -3.00 0.01 0.00 0.52 0.00 0.00 54.79 52.48 1hxx n ASP 113 Cb 0.58 -1.50 0.02 0.00 -0.72 0.00 0.00 41.12 39.50 1hxx n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1hxx n MET 114 N 3.78 1.03 -1.56 -0.67 2.81 -1.26 -4.96 117.12 116.29 1hxx n MET 114 Ca 0.52 -1.13 -0.31 0.00 -1.81 0.00 0.00 57.70 54.97 1hxx n MET 114 Cb 0.33 -0.77 0.05 0.00 -0.71 0.00 0.00 33.22 32.12 1hxx n MET 114 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1hxx s LEU 115 N -0.64 3.10 0.21 4.03 1.43 -1.26 -4.94 118.68 120.62 1hxx s LEU 115 Ca 0.04 1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1hxx s LEU 115 Cb 0.03 -4.47 0.23 0.00 0.03 0.00 0.00 46.19 42.02 1hxx s LEU 115 CO 0.00 -1.48 1.82 -0.65 0.23 0.00 0.00 176.35 176.27 1hxx h PRO 116 N -0.75 0.71 0.00 1.29 0.11 -1.94 -3.40 132.00 128.02 1hxx h PRO 116 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hxx h PRO 116 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1hxx h PRO 116 CO 0.57 0.47 -0.31 -1.91 -0.21 0.00 0.00 178.00 176.60 1hxx n GLU 117 N -4.76 0.00 0.00 1.05 4.07 -1.26 -5.06 120.64 114.68 1hxx n GLU 117 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1hxx n GLU 117 Cb 0.16 -0.29 0.00 0.00 -0.06 0.00 0.00 31.44 31.24 1hxx n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1hxx n PHE 118 N -2.42 0.00 -0.63 4.31 3.72 -1.26 -5.05 117.46 116.12 1hxx n PHE 118 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1hxx n PHE 118 Cb 0.16 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1hxx n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hxx n GLY 119 N 5.00 -2.18 3.41 1.37 0.00 -1.26 -4.15 105.19 107.38 1hxx n GLY 119 Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1hxx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxx n GLY 120 N -1.43 -0.54 0.19 -0.02 0.00 -1.26 -4.88 105.19 97.25 1hxx n GLY 120 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1hxx n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hxx h ASP 121 N -2.18 0.00 0.07 1.61 5.19 -1.96 -2.42 116.42 116.72 1hxx h ASP 121 Ca -0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1hxx h ASP 121 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1hxx h ASP 121 CO 0.57 0.37 -0.27 0.35 -3.12 0.00 0.00 179.24 177.14 1hxx n THR 122 N -3.45 0.00 -1.59 0.35 -2.24 -1.26 -4.53 114.28 101.56 1hxx n THR 122 Ca 0.00 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 1hxx n THR 122 Cb 0.53 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1hxx n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hxx n ALA 123 N 0.00 7.14 -1.76 6.98 0.00 -0.91 -4.88 120.51 127.08 1hxx n ALA 123 Ca 0.12 -3.65 -0.39 0.00 0.00 0.00 0.00 53.44 49.52 1hxx n ALA 123 Cb 0.43 -3.01 0.01 0.00 0.00 0.00 0.00 19.45 16.88 1hxx n ALA 123 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1hxx s TYR 124 N 0.51 2.69 0.52 0.00 2.02 -1.26 -4.48 117.35 117.34 1hxx s TYR 124 Ca 0.63 1.41 -0.19 0.00 -0.37 0.00 0.00 57.07 58.54 1hxx s TYR 124 Cb 0.20 -3.67 -0.07 0.00 -0.40 0.00 0.00 41.96 38.02 1hxx s TYR 124 CO -0.08 -2.23 1.06 -1.12 -1.57 0.00 0.00 175.55 171.61 1hxx s SER 125 N -0.87 6.13 -1.43 2.29 0.01 -1.26 -3.06 113.70 115.51 1hxx s SER 125 Ca 0.61 1.96 -0.01 0.00 1.31 0.00 0.00 55.95 59.82 1hxx s SER 125 Cb -0.37 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.30 1hxx s SER 125 CO 0.47 -0.93 0.39 0.47 0.41 0.00 0.00 173.24 174.05 1hxx n ASP 126 N -1.21 -0.28 -3.18 2.44 8.00 0.10 -4.91 116.55 117.51 1hxx n ASP 126 Ca 0.10 -1.03 -0.22 0.00 0.71 0.00 0.00 54.79 54.34 1hxx n ASP 126 Cb 0.52 -2.91 -0.06 0.00 -0.02 0.00 0.00 41.12 38.65 1hxx n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hxx n ASP 127 N -2.97 0.30 0.00 -2.24 2.03 -1.25 -4.38 116.55 108.04 1hxx n ASP 127 Ca -0.30 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1hxx n ASP 127 Cb 0.68 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1hxx n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1hxx n PHE 128 N 1.10 0.00 0.70 -0.67 3.72 -1.26 -3.07 117.46 117.98 1hxx n PHE 128 Ca 0.22 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.70 1hxx n PHE 128 Cb 0.57 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.18 1hxx n PHE 128 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hxx n PHE 129 N 4.13 0.01 0.67 1.38 3.72 -1.26 -4.57 117.46 121.54 1hxx n PHE 129 Ca 0.00 -0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1hxx n PHE 129 Cb 0.00 -0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 1hxx n PHE 129 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1hxx n VAL 130 N 0.96 0.28 -2.24 -4.37 0.24 -1.17 -1.46 118.33 110.56 1hxx n VAL 130 Ca 0.10 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1hxx n VAL 130 Cb 0.43 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1hxx n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hxx n GLY 131 N 1.37 4.76 3.74 7.63 0.00 -1.17 -4.06 105.19 117.46 1hxx n GLY 131 Ca 0.04 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1hxx n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxx s ARG 132 N 1.50 4.41 0.07 1.61 0.52 -1.26 -0.15 118.95 125.65 1hxx s ARG 132 Ca 0.00 2.04 -0.08 0.00 -0.52 0.00 0.00 55.73 57.17 1hxx s ARG 132 Cb 0.00 -3.18 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1hxx s ARG 132 CO 0.00 -0.20 0.17 0.08 0.02 0.00 0.00 175.30 175.36 1hxx s VAL 133 N -0.13 0.14 0.16 3.52 1.01 -0.26 0.02 120.40 124.86 1hxx s VAL 133 Ca 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1hxx s VAL 133 Cb -0.36 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1hxx s VAL 133 CO 0.40 -0.65 0.32 -0.83 0.00 0.00 0.00 175.10 174.34 1hxx s GLY 134 N -2.71 1.84 -0.80 4.51 0.00 -1.26 -2.25 107.32 106.65 1hxx s GLY 134 Ca 0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.82 1hxx s GLY 134 CO -0.09 -0.87 0.52 0.61 0.00 0.00 0.00 173.10 173.27 1hxx n GLY 135 N -0.43 0.08 3.71 0.20 0.00 -1.13 -4.72 105.19 102.90 1hxx n GLY 135 Ca -0.05 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1hxx n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hxx s VAL 136 N -3.05 4.61 -0.31 1.61 -7.23 -0.84 -2.19 120.40 112.99 1hxx s VAL 136 Ca 0.26 -0.13 -0.09 0.00 -1.81 0.00 0.00 61.98 60.21 1hxx s VAL 136 Cb -0.11 -2.98 -0.00 0.00 0.56 0.00 0.00 36.38 33.85 1hxx s VAL 136 CO 0.32 0.58 0.13 0.00 -0.31 0.00 0.00 175.10 175.82 1hxx s ALA 137 N -0.65 3.20 -0.12 1.32 0.00 0.24 -2.43 121.76 123.31 1hxx s ALA 137 Ca 0.11 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1hxx s ALA 137 Cb -0.12 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1hxx s ALA 137 CO 0.02 -0.93 -0.16 0.99 0.00 0.00 0.00 175.76 175.68 1hxx s THR 138 N 1.57 2.73 -0.13 0.00 2.01 -0.27 0.09 115.64 121.64 1hxx s THR 138 Ca 0.04 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 1hxx s THR 138 Cb -0.17 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1hxx s THR 138 CO 0.05 0.53 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.91 1hxx s TYR 139 N 0.40 2.80 -0.02 4.92 5.04 -0.00 -1.63 117.35 128.85 1hxx s TYR 139 Ca -0.13 -0.72 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 1hxx s TYR 139 Cb -0.16 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.30 1hxx s TYR 139 CO 0.06 -0.27 -0.07 1.03 -1.34 0.00 0.00 175.55 174.96 1hxx s ARG 140 N 0.45 0.73 -0.05 4.97 0.52 -0.75 -1.15 118.95 123.66 1hxx s ARG 140 Ca -0.10 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.94 1hxx s ARG 140 Cb -0.16 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.59 1hxx s ARG 140 CO 0.05 0.09 -0.24 1.21 0.02 0.00 0.00 175.30 176.43 1hxx s ASN 141 N 0.16 3.15 -0.08 0.23 3.84 0.36 -1.35 114.94 121.24 1hxx s ASN 141 Ca -0.02 -0.47 0.01 0.00 0.21 0.00 0.00 52.86 52.59 1hxx s ASN 141 Cb -0.07 -0.70 -0.03 0.00 -0.55 0.00 0.00 41.25 39.90 1hxx s ASN 141 CO 0.00 0.27 -0.10 -0.44 -2.79 0.00 0.00 177.10 174.05 1hxx s SER 142 N -0.33 4.38 -1.63 -4.21 0.01 -1.26 -1.91 113.70 108.75 1hxx s SER 142 Ca 0.01 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 1hxx s SER 142 Cb -0.12 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1hxx s SER 142 CO 0.02 0.31 0.21 0.59 0.41 0.00 0.00 173.24 174.78 1hxx n ASN 143 N 2.57 -5.72 -3.83 2.44 3.02 -0.42 -3.63 115.26 109.69 1hxx n ASN 143 Ca -0.18 -0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.00 1hxx n ASN 143 Cb 0.53 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 1hxx n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1hxx n PHE 144 N -4.11 -1.95 -2.22 3.10 7.35 -0.76 -0.91 117.46 117.96 1hxx n PHE 144 Ca -0.19 0.73 -0.21 0.00 -0.76 0.00 0.00 57.45 57.03 1hxx n PHE 144 Cb 0.65 -2.77 -0.03 0.00 0.35 0.00 0.00 39.48 37.69 1hxx n PHE 144 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1hxx n PHE 145 N -2.95 -0.79 -0.80 -5.13 3.72 -1.24 -0.54 117.46 109.73 1hxx n PHE 145 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1hxx n PHE 145 Cb 0.68 -3.82 0.00 0.00 -0.94 0.00 0.00 39.48 35.40 1hxx n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hxx n GLY 146 N -0.86 0.84 0.11 1.37 0.00 -0.08 -4.86 105.19 101.70 1hxx n GLY 146 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1hxx n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hxx n LEU 147 N 0.00 1.44 -3.99 0.99 4.77 0.30 -4.81 117.00 115.71 1hxx n LEU 147 Ca 0.00 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 1hxx n LEU 147 Cb 0.00 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 1hxx n LEU 147 CO 0.00 0.63 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.70 1hxx s VAL 148 N -2.55 2.28 -0.14 4.08 1.01 -0.38 -5.00 120.40 119.70 1hxx s VAL 148 Ca -0.16 -2.55 -0.36 0.00 0.00 0.00 0.00 61.98 58.92 1hxx s VAL 148 Cb 0.07 -2.66 -0.13 0.00 0.00 0.00 0.00 36.38 33.66 1hxx s VAL 148 CO 0.77 -0.66 1.83 0.47 0.00 0.00 0.00 175.10 177.52 1hxx n ASP 149 N 3.99 3.10 0.00 3.32 10.43 -1.26 -2.38 116.55 133.75 1hxx n ASP 149 Ca 0.04 1.01 0.00 0.00 2.57 0.00 0.00 54.79 58.41 1hxx n ASP 149 Cb 0.39 -1.30 0.00 0.00 1.84 0.00 0.00 41.12 42.06 1hxx n ASP 149 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1hxx n GLY 150 N 4.31 0.68 3.55 0.44 0.00 -1.26 -4.92 105.19 107.99 1hxx n GLY 150 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1hxx n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hxx s LEU 151 N 0.00 4.39 0.28 0.99 2.96 -1.00 -1.73 118.68 124.57 1hxx s LEU 151 Ca 0.00 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 1hxx s LEU 151 Cb 0.00 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1hxx s LEU 151 CO 0.00 -0.41 -0.14 0.20 -1.32 0.00 0.00 176.35 174.68 1hxx s ASN 152 N 1.74 3.30 0.20 3.68 0.02 0.11 -1.30 114.94 122.69 1hxx s ASN 152 Ca 0.16 -1.10 -0.12 0.00 -1.02 0.00 0.00 52.86 50.77 1hxx s ASN 152 Cb -0.16 -0.26 0.00 0.00 0.02 0.00 0.00 41.25 40.85 1hxx s ASN 152 CO 0.12 -0.13 0.40 0.72 0.02 0.00 0.00 177.10 178.24 1hxx s PHE 153 N -2.71 0.27 0.01 2.20 -0.71 -0.80 -1.17 117.98 115.07 1hxx s PHE 153 Ca 0.29 -0.62 -0.17 0.00 -1.04 0.00 0.00 56.93 55.39 1hxx s PHE 153 Cb -0.01 0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1hxx s PHE 153 CO 0.13 -0.85 0.37 0.00 -1.34 0.00 0.00 175.22 173.53 1hxx s ALA 154 N -3.96 -0.91 0.01 1.99 0.00 -0.31 -0.49 121.76 118.08 1hxx s ALA 154 Ca 0.17 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1hxx s ALA 154 Cb 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1hxx s ALA 154 CO 0.02 -0.36 -0.06 0.54 0.00 0.00 0.00 175.76 175.90 1hxx s VAL 155 N -1.91 0.47 -0.02 0.00 0.11 -0.30 -1.09 120.40 117.66 1hxx s VAL 155 Ca -0.09 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1hxx s VAL 155 Cb -0.03 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1hxx s VAL 155 CO 0.01 0.02 -0.04 -1.58 -3.33 0.00 0.00 175.10 170.18 1hxx s GLN 156 N -0.45 0.47 -0.18 1.54 0.74 0.59 -0.82 119.66 121.55 1hxx s GLN 156 Ca -0.00 -0.10 -0.04 0.00 0.05 0.00 0.00 55.36 55.27 1hxx s GLN 156 Cb -0.04 -0.50 -0.02 0.00 1.10 0.00 0.00 33.01 33.55 1hxx s GLN 156 CO -0.00 0.01 -0.04 0.71 -0.55 0.00 0.00 175.29 175.42 1hxx s TYR 157 N 0.37 2.98 -0.23 1.67 2.02 0.11 -1.46 117.35 122.81 1hxx s TYR 157 Ca -0.04 -0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 1hxx s TYR 157 Cb -0.07 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 1hxx s TYR 157 CO -0.00 -0.21 0.00 -1.17 -1.57 0.00 0.00 175.55 172.59 1hxx s LEU 158 N 0.74 3.11 0.31 -1.29 2.96 0.25 -0.59 118.68 124.16 1hxx s LEU 158 Ca -0.02 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1hxx s LEU 158 Cb -0.15 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 1hxx s LEU 158 CO 0.02 -0.03 0.64 -0.83 -1.32 0.00 0.00 176.35 174.83 1hxx s GLY 159 N 1.53 2.10 0.27 7.98 0.00 -0.93 -1.05 107.32 117.21 1hxx s GLY 159 Ca 0.06 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 1hxx s GLY 159 CO -0.01 -0.11 1.38 1.17 0.00 0.00 0.00 173.10 175.53 1hxx n LYS 160 N -0.68 2.09 -3.70 2.90 4.81 -1.26 -4.67 118.16 117.66 1hxx n LYS 160 Ca 0.01 0.74 -0.30 0.00 -0.87 0.00 0.00 58.31 57.90 1hxx n LYS 160 Cb 0.53 -2.38 -0.13 0.00 0.02 0.00 0.00 35.03 33.07 1hxx n LYS 160 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1hxx s ASN 161 N 0.12 3.70 -0.83 3.14 0.01 0.28 -4.95 114.94 116.40 1hxx s ASN 161 Ca 0.64 -2.35 -0.20 0.00 -0.71 0.00 0.00 52.86 50.24 1hxx s ASN 161 Cb -0.62 -0.95 0.10 0.00 0.41 0.00 0.00 41.25 40.20 1hxx s ASN 161 CO 0.53 -0.31 1.08 -0.70 -1.51 0.00 0.00 177.10 176.20 1hxx s GLU 162 N 0.72 3.42 0.62 -0.60 2.12 -1.26 -1.50 118.70 122.21 1hxx s GLU 162 Ca 0.16 -1.39 0.07 0.00 0.36 0.00 0.00 54.97 54.17 1hxx s GLU 162 Cb -0.23 -4.69 0.11 0.00 0.26 0.00 0.00 34.13 29.58 1hxx s GLU 162 CO -0.05 -1.81 0.85 0.54 -0.54 0.00 0.00 175.26 174.25 1hxx n ARG 163 N 7.09 0.44 0.27 4.30 1.74 -1.26 -5.01 116.66 124.22 1hxx n ARG 163 Ca 0.14 -3.05 0.16 0.00 -0.77 0.00 0.00 57.85 54.33 1hxx n ARG 163 Cb 0.48 -0.34 0.69 0.00 -1.02 0.00 0.00 32.46 32.27 1hxx n ARG 163 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1hxx h ASP 164 N -0.06 0.00 -4.48 0.55 3.32 -1.95 -3.44 116.42 110.36 1hxx h ASP 164 Ca -0.29 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.10 1hxx h ASP 164 Cb 1.25 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.51 1hxx h ASP 164 CO 0.38 0.06 -0.87 -0.89 -1.72 0.00 0.00 179.24 176.20 1hxx s THR 165 N -3.76 1.90 0.14 0.35 2.01 -1.26 -5.03 115.64 110.00 1hxx s THR 165 Ca 0.00 -1.09 -0.14 0.00 0.31 0.00 0.00 61.69 60.77 1hxx s THR 165 Cb 0.10 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1hxx s THR 165 CO 0.55 0.48 1.66 0.00 -0.69 0.00 0.00 174.62 176.62 1hxx h ALA 166 N 5.37 0.60 -0.89 7.40 0.00 -1.87 -3.04 119.26 126.84 1hxx h ALA 166 Ca -0.42 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.46 1hxx h ALA 166 Cb 1.13 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1hxx h ALA 166 CO 0.46 0.26 0.57 -0.09 0.00 0.00 0.00 179.25 180.46 1hxx h ARG 167 N 0.60 0.59 -0.49 0.00 9.65 -1.95 -2.75 114.38 120.04 1hxx h ARG 167 Ca 0.15 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1hxx h ARG 167 Cb 0.29 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1hxx h ARG 167 CO -0.00 0.39 0.00 0.54 2.80 0.00 0.00 179.97 183.70 1hxx n ARG 168 N -4.56 2.59 -2.99 0.20 5.12 -1.16 -4.71 116.66 111.16 1hxx n ARG 168 Ca 0.18 -2.28 -0.18 0.00 -1.93 0.00 0.00 57.85 53.64 1hxx n ARG 168 Cb 0.53 -1.43 0.02 0.00 -1.16 0.00 0.00 32.46 30.42 1hxx n ARG 168 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1hxx s SER 169 N -1.09 5.51 -0.13 0.55 0.01 -1.04 -4.75 113.70 112.77 1hxx s SER 169 Ca 0.36 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 1hxx s SER 169 Cb 0.19 -0.47 0.12 0.00 0.21 0.00 0.00 66.02 66.08 1hxx s SER 169 CO 0.26 -0.91 0.99 0.54 0.41 0.00 0.00 173.24 174.53 1hxx s ASN 170 N -4.42 -0.34 0.28 2.44 4.22 -0.56 -4.74 114.94 111.81 1hxx s ASN 170 Ca 0.57 0.27 0.05 0.00 -2.14 0.00 0.00 52.86 51.61 1hxx s ASN 170 Cb -0.09 0.30 0.05 0.00 1.28 0.00 0.00 41.25 42.79 1hxx s ASN 170 CO 0.35 -0.39 0.39 0.61 -2.04 0.00 0.00 177.10 176.01 1hxx n GLY 171 N 0.44 1.94 3.72 0.45 0.00 -0.70 -0.56 105.19 110.49 1hxx n GLY 171 Ca -0.09 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1hxx n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hxx s ASP 172 N -2.74 4.25 0.04 1.61 1.01 -1.26 -4.12 116.67 115.46 1hxx s ASP 172 Ca 0.29 2.37 -0.28 0.00 0.71 0.00 0.00 52.55 55.64 1hxx s ASP 172 Cb -0.02 -2.59 0.10 0.00 1.01 0.00 0.00 42.92 41.41 1hxx s ASP 172 CO 0.19 -2.23 1.10 -0.83 0.21 0.00 0.00 175.17 173.61 1hxx s GLY 173 N -1.99 -0.33 -0.00 0.21 0.00 -0.22 -0.47 107.32 104.51 1hxx s GLY 173 Ca 0.75 0.59 0.02 0.00 0.00 0.00 0.00 44.72 46.08 1hxx s GLY 173 CO 0.45 0.14 -0.05 0.14 0.00 0.00 0.00 173.10 173.78 1hxx s VAL 174 N -2.86 0.41 0.15 1.40 1.01 -0.77 -0.58 120.40 119.16 1hxx s VAL 174 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1hxx s VAL 174 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1hxx s VAL 174 CO -0.02 0.12 0.23 -0.83 0.00 0.00 0.00 175.10 174.59 1hxx s GLY 175 N -0.11 0.51 0.17 4.51 0.00 -0.54 -1.60 107.32 110.26 1hxx s GLY 175 Ca 0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 1hxx s GLY 175 CO -0.00 -0.93 0.54 -0.32 0.00 0.00 0.00 173.10 172.39 1hxx s GLY 176 N -2.97 -0.39 0.00 0.20 0.00 -0.01 -0.30 107.32 103.86 1hxx s GLY 176 Ca 0.16 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 1hxx s GLY 176 CO -0.01 -0.07 0.12 -1.35 0.00 0.00 0.00 173.10 171.79 1hxx s SER 177 N -2.80 0.03 -0.01 1.64 1.04 -0.25 -0.93 113.70 112.42 1hxx s SER 177 Ca 0.04 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1hxx s SER 177 Cb -0.01 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 1hxx s SER 177 CO -0.09 -0.35 -0.05 -0.63 0.98 0.00 0.00 173.24 173.09 1hxx s ILE 178 N -1.31 0.44 0.10 -1.02 1.01 -0.17 -1.17 121.20 119.08 1hxx s ILE 178 Ca -0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1hxx s ILE 178 Cb -0.07 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.03 1hxx s ILE 178 CO 0.01 0.13 0.27 -0.94 0.00 0.00 0.00 174.94 174.41 1hxx s SER 179 N -0.08 -0.02 -0.05 3.58 1.04 -0.32 -0.33 113.70 117.51 1hxx s SER 179 Ca 0.02 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1hxx s SER 179 Cb -0.03 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1hxx s SER 179 CO -0.00 -0.76 0.11 -0.47 0.98 0.00 0.00 173.24 173.10 1hxx s TYR 180 N -3.72 -0.10 -0.05 5.02 5.04 0.86 -0.71 117.35 123.69 1hxx s TYR 180 Ca 0.03 0.39 0.05 0.00 -2.44 0.00 0.00 57.07 55.11 1hxx s TYR 180 Cb 0.03 -0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.16 1hxx s TYR 180 CO -0.11 -0.16 -0.22 -1.21 -1.34 0.00 0.00 175.55 172.52 1hxx s GLU 181 N 1.36 2.19 -0.28 4.97 2.02 -0.71 -0.70 118.70 127.55 1hxx s GLU 181 Ca -0.07 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.12 1hxx s GLU 181 Cb -0.12 -1.88 0.16 0.00 0.10 0.00 0.00 34.13 32.39 1hxx s GLU 181 CO -0.05 0.33 0.54 -0.47 0.02 0.00 0.00 175.26 175.62 1hxx s TYR 182 N -0.09 -1.33 -1.09 1.61 5.04 0.16 -4.61 117.35 117.05 1hxx s TYR 182 Ca -0.03 1.54 -0.16 0.00 -2.44 0.00 0.00 57.07 55.98 1hxx s TYR 182 Cb -0.13 0.44 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 1hxx s TYR 182 CO 0.03 -0.79 0.81 -1.91 -1.34 0.00 0.00 175.55 172.35 1hxx n GLU 183 N 5.41 -1.44 0.00 4.97 2.13 -1.26 -1.83 120.64 128.63 1hxx n GLU 183 Ca -0.03 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1hxx n GLU 183 Cb 0.50 -4.49 0.00 0.00 0.27 0.00 0.00 31.44 27.72 1hxx n GLU 183 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hxx n GLY 184 N -1.59 3.01 3.92 8.31 0.00 -1.26 -4.94 105.19 112.63 1hxx n GLY 184 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1hxx n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hxx s PHE 185 N -1.41 3.48 -0.18 1.61 0.08 -0.76 0.73 117.98 121.53 1hxx s PHE 185 Ca 0.00 0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 1hxx s PHE 185 Cb 0.00 -1.94 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1hxx s PHE 185 CO 0.00 0.33 0.47 0.20 -0.10 0.00 0.00 175.22 176.12 1hxx s GLY 186 N -3.05 -0.36 -0.03 4.36 0.00 -0.94 -0.66 107.32 106.64 1hxx s GLY 186 Ca 0.40 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.51 1hxx s GLY 186 CO 0.29 1.23 -0.07 -1.50 0.00 0.00 0.00 173.10 173.05 1hxx s ILE 187 N 0.41 0.66 0.12 0.90 2.07 0.12 -1.69 121.20 123.80 1hxx s ILE 187 Ca -0.01 -0.27 0.05 0.00 -1.41 0.00 0.00 60.65 59.01 1hxx s ILE 187 Cb -0.04 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 1hxx s ILE 187 CO -0.01 0.22 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.42 1hxx s VAL 188 N 0.38 1.25 -0.01 4.00 1.01 -0.74 -0.10 120.40 126.19 1hxx s VAL 188 Ca -0.05 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.20 1hxx s VAL 188 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1hxx s VAL 188 CO 0.00 -0.46 0.02 -0.83 0.00 0.00 0.00 175.10 173.84 1hxx s GLY 189 N -2.49 -0.01 -0.10 4.51 0.00 0.55 -1.42 107.32 108.36 1hxx s GLY 189 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 44.72 44.78 1hxx s GLY 189 CO 0.02 0.06 0.27 0.00 0.00 0.00 0.00 173.10 173.45 1hxx s ALA 190 N 0.03 -0.66 -0.09 3.20 0.00 -0.77 -1.00 121.76 122.46 1hxx s ALA 190 Ca -0.00 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 1hxx s ALA 190 Cb -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1hxx s ALA 190 CO -0.00 -0.13 0.26 -0.47 0.00 0.00 0.00 175.76 175.42 1hxx s TYR 191 N 0.09 -0.28 0.01 0.00 5.04 -0.11 -1.81 117.35 120.30 1hxx s TYR 191 Ca -0.00 0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1hxx s TYR 191 Cb -0.02 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 1hxx s TYR 191 CO 0.00 -0.15 0.00 0.20 -1.34 0.00 0.00 175.55 174.27 1hxx s GLY 192 N 0.07 0.18 -0.03 8.97 0.00 0.38 -0.83 107.32 116.08 1hxx s GLY 192 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 1hxx s GLY 192 CO 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 173.10 172.64 1hxx s ALA 193 N -1.32 -0.11 0.07 3.20 0.00 -0.62 -0.97 121.76 122.00 1hxx s ALA 193 Ca -0.14 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 1hxx s ALA 193 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1hxx s ALA 193 CO -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 175.76 175.77 1hxx s ALA 194 N 0.43 0.14 0.74 0.00 0.00 0.28 -1.84 121.76 121.52 1hxx s ALA 194 Ca -0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1hxx s ALA 194 Cb -0.05 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1hxx s ALA 194 CO -0.02 -0.44 1.09 -0.51 0.00 0.00 0.00 175.76 175.89 1hxx s ASP 195 N -2.88 4.69 0.07 0.00 1.01 0.38 0.35 116.67 120.30 1hxx s ASP 195 Ca 0.06 1.85 0.05 0.00 0.71 0.00 0.00 52.55 55.22 1hxx s ASP 195 Cb 0.06 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1hxx s ASP 195 CO -0.10 -1.91 -0.05 -0.13 0.21 0.00 0.00 175.17 173.19 1hxx s ARG 196 N -4.71 2.42 0.77 8.23 0.52 -0.89 -1.72 118.95 123.57 1hxx s ARG 196 Ca 0.62 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.87 1hxx s ARG 196 Cb -0.18 -2.46 0.07 0.00 0.52 0.00 0.00 34.95 32.90 1hxx s ARG 196 CO 0.52 0.55 1.13 0.95 0.02 0.00 0.00 175.30 178.48 1hxx s THR 197 N -1.19 2.26 0.15 0.02 -4.23 -1.26 -4.73 115.64 106.67 1hxx s THR 197 Ca 0.22 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 1hxx s THR 197 Cb -0.11 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1hxx s THR 197 CO 0.14 -0.08 1.72 0.78 -0.54 0.00 0.00 174.62 176.63 1hxx h ASN 198 N -0.90 -0.05 -0.94 3.99 4.21 -2.00 -0.45 115.58 119.45 1hxx h ASN 198 Ca -0.46 0.06 0.09 0.00 1.21 0.00 0.00 56.30 57.21 1hxx h ASN 198 Cb 1.32 0.10 -0.07 0.00 -1.12 0.00 0.00 38.32 38.55 1hxx h ASN 198 CO 0.65 0.01 0.60 0.25 -1.29 0.00 0.00 177.43 177.65 1hxx h LEU 199 N 0.14 0.89 -0.73 1.61 5.85 -1.98 0.89 115.31 122.00 1hxx h LEU 199 Ca 0.16 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1hxx h LEU 199 Cb 0.19 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1hxx h LEU 199 CO -0.23 0.53 0.02 1.56 -0.34 0.00 0.00 178.44 179.99 1hxx h GLN 200 N 0.99 1.00 0.00 1.25 4.20 -1.43 -2.83 115.11 118.28 1hxx h GLN 200 Ca 0.43 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1hxx h GLN 200 Cb 0.34 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1hxx h GLN 200 CO -0.19 0.97 -0.16 0.93 -0.67 0.00 0.00 178.83 179.71 1hxx h GLU 201 N 0.92 0.00 0.00 1.46 5.08 -0.07 -2.87 114.58 119.10 1hxx h GLU 201 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1hxx h GLU 201 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1hxx h GLU 201 CO 0.02 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1hxx n ALA 202 N -2.16 1.95 -1.76 3.43 0.00 0.16 -4.81 120.51 117.32 1hxx n ALA 202 Ca 0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1hxx n ALA 202 Cb 0.48 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1hxx n ALA 202 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hxx s GLN 203 N -2.87 4.73 0.41 0.00 -1.52 -1.08 -4.95 119.66 114.37 1hxx s GLN 203 Ca 0.12 1.67 0.08 0.00 -1.95 0.00 0.00 55.36 55.28 1hxx s GLN 203 Cb 0.13 -3.23 0.87 0.00 -0.22 0.00 0.00 33.01 30.57 1hxx s GLN 203 CO 0.35 0.34 2.05 -1.00 -0.25 0.00 0.00 175.29 176.78 1hxx h PRO 204 N 3.97 0.49 -5.41 2.91 0.13 -1.88 -3.40 132.00 128.80 1hxx h PRO 204 Ca -0.46 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.03 1hxx h PRO 204 Cb 1.21 -0.11 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1hxx h PRO 204 CO 0.67 0.34 -0.23 -0.51 -0.23 0.00 0.00 178.00 178.04 1hxx s LEU 205 N -9.41 4.16 0.00 1.56 1.43 -1.22 -4.93 118.68 110.27 1hxx s LEU 205 Ca -0.08 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1hxx s LEU 205 Cb 0.17 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1hxx s LEU 205 CO 0.73 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.87 1hxx n GLY 206 N 3.89 0.23 2.90 -3.19 0.00 -1.12 -1.37 105.19 106.54 1hxx n GLY 206 Ca -0.09 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1hxx n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hxx s ASN 207 N -0.67 1.15 0.00 1.61 2.47 -1.26 -4.88 114.94 113.36 1hxx s ASN 207 Ca 0.00 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.12 1hxx s ASN 207 Cb 0.00 -0.52 0.00 0.00 -1.45 0.00 0.00 41.25 39.28 1hxx s ASN 207 CO 0.00 -0.05 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 1hxx n GLY 208 N 4.11 3.78 0.09 1.21 0.00 -1.26 -4.96 105.19 108.16 1hxx n GLY 208 Ca -0.23 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1hxx n GLY 208 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxx h LYS 209 N 0.00 0.00 -5.17 1.61 1.57 -1.97 -3.46 116.57 109.15 1hxx h LYS 209 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1hxx h LYS 209 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 1hxx h LYS 209 CO 0.00 0.00 -0.80 0.15 -0.57 0.00 0.00 179.45 178.23 1hxx s LYS 210 N -3.27 0.97 -0.16 3.15 1.02 -1.26 -2.10 119.74 118.09 1hxx s LYS 210 Ca 0.03 -0.56 -0.06 0.00 0.02 0.00 0.00 55.97 55.40 1hxx s LYS 210 Cb 0.11 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1hxx s LYS 210 CO 0.76 0.25 0.02 0.00 -0.92 0.00 0.00 175.35 175.46 1hxx s ALA 211 N -0.50 3.24 0.04 5.17 0.00 0.15 -4.71 121.76 125.16 1hxx s ALA 211 Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1hxx s ALA 211 Cb -0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1hxx s ALA 211 CO 0.00 0.22 -0.17 -1.21 0.00 0.00 0.00 175.76 174.60 1hxx s GLU 212 N 0.27 1.14 -0.07 0.00 2.02 -0.97 -0.55 118.70 120.54 1hxx s GLU 212 Ca 0.01 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.09 1hxx s GLU 212 Cb -0.13 -1.21 0.03 0.00 0.10 0.00 0.00 34.13 32.92 1hxx s GLU 212 CO 0.01 0.30 0.18 -0.65 0.02 0.00 0.00 175.26 175.12 1hxx s GLN 213 N -1.19 0.17 0.02 1.61 -0.21 -0.15 -0.56 119.66 119.34 1hxx s GLN 213 Ca 0.04 0.34 -0.14 0.00 0.02 0.00 0.00 55.36 55.62 1hxx s GLN 213 Cb -0.08 -0.03 0.02 0.00 1.00 0.00 0.00 33.01 33.91 1hxx s GLN 213 CO 0.02 -0.10 0.30 1.67 -2.12 0.00 0.00 175.29 175.06 1hxx s TRP 214 N 0.66 -0.13 0.00 0.91 1.48 -0.49 -0.47 118.94 120.90 1hxx s TRP 214 Ca -0.05 0.09 -0.16 0.00 -1.06 0.00 0.00 56.10 54.92 1hxx s TRP 214 Cb -0.06 0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.37 1hxx s TRP 214 CO -0.03 -0.45 0.35 0.00 -4.06 0.00 0.00 176.95 172.75 1hxx s ALA 215 N -2.04 -0.86 0.19 2.67 0.00 -0.75 -1.56 121.76 119.41 1hxx s ALA 215 Ca -0.09 0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.32 1hxx s ALA 215 Cb -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1hxx s ALA 215 CO -0.00 -0.32 -0.22 0.99 0.00 0.00 0.00 175.76 176.21 1hxx s THR 216 N -1.67 2.48 -0.06 0.00 2.01 0.10 -1.85 115.64 116.65 1hxx s THR 216 Ca -0.11 -1.99 -0.10 0.00 0.31 0.00 0.00 61.69 59.80 1hxx s THR 216 Cb -0.03 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.30 1hxx s THR 216 CO 0.03 -0.12 0.25 -0.83 -0.69 0.00 0.00 174.62 173.26 1hxx s GLY 217 N -2.71 -0.15 -0.01 4.40 0.00 -0.51 -1.94 107.32 106.40 1hxx s GLY 217 Ca 0.22 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1hxx s GLY 217 CO 0.11 0.37 0.01 -2.27 0.00 0.00 0.00 173.10 171.31 1hxx s LEU 218 N -0.46 1.48 0.10 0.66 1.98 -0.40 -1.79 118.68 120.24 1hxx s LEU 218 Ca -0.06 0.00 -0.08 0.00 -2.89 0.00 0.00 54.13 51.11 1hxx s LEU 218 Cb -0.04 -0.09 -0.01 0.00 0.66 0.00 0.00 46.19 46.72 1hxx s LEU 218 CO 0.01 -0.07 0.18 -1.59 -1.89 0.00 0.00 176.35 173.00 1hxx s LYS 219 N 0.61 0.88 -0.10 1.98 -2.85 -0.68 -0.20 119.74 119.37 1hxx s LYS 219 Ca -0.05 -1.03 -0.01 0.00 -1.00 0.00 0.00 55.97 53.88 1hxx s LYS 219 Cb -0.08 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1hxx s LYS 219 CO -0.02 -0.28 -0.04 -0.47 0.10 0.00 0.00 175.35 174.65 1hxx s TYR 220 N -3.89 1.14 -0.41 1.78 5.04 -0.25 -2.22 117.35 118.55 1hxx s TYR 220 Ca 0.08 -0.53 0.03 0.00 -2.44 0.00 0.00 57.07 54.20 1hxx s TYR 220 Cb 0.05 -1.05 0.16 0.00 0.35 0.00 0.00 41.96 41.47 1hxx s TYR 220 CO -0.09 -0.45 0.30 0.34 -1.34 0.00 0.00 175.55 174.32 1hxx s ASP 221 N 1.82 2.11 -0.13 4.32 2.15 0.22 -1.67 116.67 125.49 1hxx s ASP 221 Ca 0.05 -2.81 -0.33 0.00 0.43 0.00 0.00 52.55 49.88 1hxx s ASP 221 Cb -0.13 -0.49 0.13 0.00 -0.30 0.00 0.00 42.92 42.13 1hxx s ASP 221 CO -0.07 -0.21 1.20 0.00 -0.17 0.00 0.00 175.17 175.92 1hxx s ALA 222 N 0.32 -2.08 -1.46 3.66 0.00 -1.11 -4.47 121.76 116.62 1hxx s ALA 222 Ca 0.27 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.49 1hxx s ALA 222 Cb -0.06 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1hxx s ALA 222 CO -0.13 -0.72 0.90 0.09 0.00 0.00 0.00 175.76 175.91 1hxx n ASN 223 N -0.20 -6.19 0.00 0.00 3.02 -1.26 -2.45 115.26 108.18 1hxx n ASN 223 Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1hxx n ASN 223 Cb 0.59 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 1hxx n ASN 223 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hxx n ASN 224 N -2.78 -3.87 -4.68 6.41 5.03 -1.26 -4.96 115.26 109.16 1hxx n ASN 224 Ca -0.05 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.07 1hxx n ASN 224 Cb 0.59 -2.41 -0.09 0.00 -1.02 0.00 0.00 39.78 36.84 1hxx n ASN 224 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1hxx s ILE 225 N -1.44 4.17 -0.12 2.41 1.01 -1.03 -0.14 121.20 126.07 1hxx s ILE 225 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1hxx s ILE 225 Cb 0.00 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1hxx s ILE 225 CO 0.00 0.46 0.04 -0.47 0.00 0.00 0.00 174.94 174.97 1hxx s TYR 226 N -1.01 0.53 -0.02 3.97 5.04 -0.55 -2.74 117.35 122.57 1hxx s TYR 226 Ca 0.17 -0.29 0.04 0.00 -2.44 0.00 0.00 57.07 54.56 1hxx s TYR 226 Cb -0.11 -0.77 -0.01 0.00 0.35 0.00 0.00 41.96 41.42 1hxx s TYR 226 CO 0.07 -0.41 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.21 1hxx s LEU 227 N 2.02 1.97 -0.08 6.97 1.43 -0.67 -0.73 118.68 129.59 1hxx s LEU 227 Ca 0.03 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 1hxx s LEU 227 Cb -0.14 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.30 1hxx s LEU 227 CO -0.06 0.17 0.58 0.00 0.23 0.00 0.00 176.35 177.27 1hxx s ALA 228 N -0.18 -1.49 0.00 4.21 0.00 -0.50 -1.10 121.76 122.70 1hxx s ALA 228 Ca 0.02 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1hxx s ALA 228 Cb -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1hxx s ALA 228 CO 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 175.76 175.41 1hxx s ALA 229 N -0.94 0.21 0.03 0.00 0.00 0.71 -1.40 121.76 120.37 1hxx s ALA 229 Ca -0.10 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1hxx s ALA 229 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1hxx s ALA 229 CO 0.07 0.03 -0.19 -0.80 0.00 0.00 0.00 175.76 174.87 1hxx s ASN 230 N -0.25 2.20 -0.05 0.00 0.02 -0.01 -1.27 114.94 115.58 1hxx s ASN 230 Ca -0.01 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 51.38 1hxx s ASN 230 Cb -0.02 -0.19 0.02 0.00 0.02 0.00 0.00 41.25 41.08 1hxx s ASN 230 CO -0.00 0.14 -0.04 -0.47 0.02 0.00 0.00 177.10 176.75 1hxx s TYR 231 N -0.72 0.78 0.15 2.20 5.04 -0.82 -1.86 117.35 122.12 1hxx s TYR 231 Ca 0.06 -0.23 -0.12 0.00 -2.44 0.00 0.00 57.07 54.35 1hxx s TYR 231 Cb -0.08 -0.70 0.01 0.00 0.35 0.00 0.00 41.96 41.53 1hxx s TYR 231 CO 0.01 -0.21 0.34 0.20 -1.34 0.00 0.00 175.55 174.55 1hxx s GLY 232 N 1.01 0.19 -0.03 8.97 0.00 -0.26 0.01 107.32 117.20 1hxx s GLY 232 Ca -0.10 -0.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.94 1hxx s GLY 232 CO -0.00 -0.63 0.22 -0.54 0.00 0.00 0.00 173.10 172.15 1hxx s GLU 233 N -3.91 0.47 0.05 2.90 2.02 -0.60 -0.00 118.70 119.63 1hxx s GLU 233 Ca 0.11 -0.09 0.02 0.00 0.02 0.00 0.00 54.97 55.04 1hxx s GLU 233 Cb 0.02 0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 1hxx s GLU 233 CO -0.04 -0.11 -0.08 0.95 0.02 0.00 0.00 175.26 176.01 1hxx s THR 234 N -0.85 0.57 -0.09 3.63 -4.23 -1.05 -1.40 115.64 112.22 1hxx s THR 234 Ca -0.09 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1hxx s THR 234 Cb -0.05 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 72.99 1hxx s THR 234 CO 0.02 -0.47 -0.16 -0.13 -0.54 0.00 0.00 174.62 173.34 1hxx s ARG 235 N -2.00 2.21 -1.29 3.99 1.81 0.27 -1.55 118.95 122.39 1hxx s ARG 235 Ca -0.06 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1hxx s ARG 235 Cb -0.07 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 1hxx s ARG 235 CO -0.01 0.03 0.00 0.09 -0.68 0.00 0.00 175.30 174.73 1hxx n ASN 236 N 3.90 -4.46 0.00 0.23 3.02 -0.24 -2.28 115.26 115.42 1hxx n ASN 236 Ca -0.20 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1hxx n ASN 236 Cb 0.52 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1hxx n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hxx n ALA 237 N -1.96 1.75 -2.67 5.41 0.00 -1.25 -4.68 120.51 117.11 1hxx n ALA 237 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1hxx n ALA 237 Cb 0.62 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 1hxx n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hxx s THR 238 N -1.68 4.72 0.18 0.00 2.01 -1.26 -4.91 115.64 114.70 1hxx s THR 238 Ca 0.00 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.72 1hxx s THR 238 Cb 0.00 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 1hxx s THR 238 CO 0.00 -0.11 1.24 -2.16 -0.69 0.00 0.00 174.62 172.90 1hxx s PRO 239 N 2.77 4.45 0.06 4.92 0.04 -1.26 -0.69 135.00 145.28 1hxx s PRO 239 Ca 0.45 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 1hxx s PRO 239 Cb -0.16 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1hxx s PRO 239 CO 0.10 -0.17 -0.04 0.96 0.04 0.00 0.00 177.00 177.89 1hxx s ILE 240 N 0.12 0.35 -0.02 0.56 -4.36 0.72 -4.85 121.20 113.72 1hxx s ILE 240 Ca 0.55 -1.74 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1hxx s ILE 240 Cb -0.34 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 41.96 1hxx s ILE 240 CO 0.36 -0.90 -0.02 -0.89 0.24 0.00 0.00 174.94 173.73 1hxx s THR 241 N -3.54 0.27 -0.55 8.37 2.01 -1.26 -1.33 115.64 119.62 1hxx s THR 241 Ca 0.06 -0.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 1hxx s THR 241 Cb 0.05 -0.29 0.08 0.00 0.01 0.00 0.00 72.50 72.35 1hxx s THR 241 CO -0.07 0.12 0.67 0.21 -0.69 0.00 0.00 174.62 174.86 1hxx s ASN 242 N 0.42 6.21 0.37 3.53 3.84 0.11 -4.82 114.94 124.59 1hxx s ASN 242 Ca -0.04 -1.13 0.04 0.00 0.21 0.00 0.00 52.86 51.94 1hxx s ASN 242 Cb -0.07 -2.30 0.72 0.00 -0.55 0.00 0.00 41.25 39.04 1hxx s ASN 242 CO -0.01 -1.01 2.00 0.11 -2.79 0.00 0.00 177.10 175.40 1hxx h LYS 243 N 9.10 0.74 0.93 0.43 1.57 -1.32 0.82 116.57 128.85 1hxx h LYS 243 Ca -0.28 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1hxx h LYS 243 Cb 1.09 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1hxx h LYS 243 CO 1.03 0.49 -0.45 0.74 -0.57 0.00 0.00 179.45 180.70 1hxx h PHE 244 N 0.77 -1.16 0.00 -1.35 0.04 -1.91 -3.20 116.94 110.12 1hxx h PHE 244 Ca 0.25 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 1hxx h PHE 244 Cb 0.04 0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1hxx h PHE 244 CO -0.00 -0.72 -0.57 1.79 -0.60 0.00 0.00 178.31 178.21 1hxx h THR 245 N -1.26 1.20 -2.26 -1.55 1.35 -1.92 -3.47 112.91 105.00 1hxx h THR 245 Ca -0.13 -2.11 -0.23 0.00 -0.55 0.00 0.00 66.41 63.39 1hxx h THR 245 Cb 0.96 2.21 0.02 0.00 -1.73 0.00 0.00 68.15 69.60 1hxx h THR 245 CO 0.21 0.56 -0.32 0.59 -0.25 0.00 0.00 175.52 176.31 1hxx n ASN 246 N -3.56 -3.93 -4.82 5.36 3.02 0.28 -5.01 115.26 106.60 1hxx n ASN 246 Ca -0.00 -0.10 -0.34 0.00 -0.03 0.00 0.00 54.58 54.11 1hxx n ASN 246 Cb 0.64 -2.96 -0.07 0.00 -0.61 0.00 0.00 39.78 36.79 1hxx n ASN 246 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1hxx s THR 247 N -2.76 5.02 0.09 3.41 -4.23 -1.09 -4.92 115.64 111.16 1hxx s THR 247 Ca 0.10 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 1hxx s THR 247 Cb -0.04 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1hxx s THR 247 CO 0.12 0.43 -0.07 -0.44 -0.54 0.00 0.00 174.62 174.12 1hxx s SER 248 N -1.54 1.10 0.00 3.99 0.01 -1.26 0.09 113.70 116.08 1hxx s SER 248 Ca 0.21 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1hxx s SER 248 Cb -0.12 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1hxx s SER 248 CO 0.12 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1hxx n GLY 249 N 0.27 -0.66 3.44 3.44 0.00 -0.44 -3.42 105.19 107.81 1hxx n GLY 249 Ca -0.14 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1hxx n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hxx s PHE 250 N -4.00 2.47 0.06 1.61 0.40 -0.47 -0.20 117.98 117.85 1hxx s PHE 250 Ca 0.00 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 1hxx s PHE 250 Cb 0.00 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 1hxx s PHE 250 CO 0.00 0.30 1.16 0.00 0.70 0.00 0.00 175.22 177.38 1hxx s ALA 251 N -1.02 3.35 0.19 5.36 0.00 0.14 -2.78 121.76 127.00 1hxx s ALA 251 Ca 0.15 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1hxx s ALA 251 Cb -0.10 -3.42 0.20 0.00 0.00 0.00 0.00 23.12 19.79 1hxx s ALA 251 CO 0.07 -0.39 1.68 -0.91 0.00 0.00 0.00 175.76 176.21 1hxx h ASN 252 N 6.68 -0.22 -5.03 0.00 4.21 -1.83 -1.71 115.58 117.68 1hxx h ASN 252 Ca -0.42 0.12 -0.12 0.00 1.21 0.00 0.00 56.30 57.10 1hxx h ASN 252 Cb 1.21 0.22 -0.19 0.00 -1.12 0.00 0.00 38.32 38.45 1hxx h ASN 252 CO 0.80 -0.08 -0.37 -1.59 -1.29 0.00 0.00 177.43 174.90 1hxx s LYS 253 N -6.17 0.65 0.12 0.81 0.00 -1.19 -1.08 119.74 112.88 1hxx s LYS 253 Ca -0.13 -0.44 0.04 0.00 0.00 0.00 0.00 55.97 55.43 1hxx s LYS 253 Cb 0.16 0.28 -0.04 0.00 0.00 0.00 0.00 37.83 38.23 1hxx s LYS 253 CO 0.72 -0.18 -0.11 0.95 0.00 0.00 0.00 175.35 176.74 1hxx s THR 254 N -1.95 1.06 -0.13 3.79 -4.23 -0.60 -0.82 115.64 112.78 1hxx s THR 254 Ca -0.10 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1hxx s THR 254 Cb -0.04 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1hxx s THR 254 CO -0.00 -0.60 -0.04 -1.10 -0.54 0.00 0.00 174.62 172.34 1hxx s GLN 255 N -3.09 1.16 -0.06 3.99 -0.21 -0.75 -2.54 119.66 118.16 1hxx s GLN 255 Ca 0.10 -0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.27 1hxx s GLN 255 Cb -0.01 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.40 1hxx s GLN 255 CO 0.01 -0.36 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.09 1hxx s ASP 256 N 1.77 2.62 -0.02 5.90 1.01 0.99 -1.96 116.67 126.99 1hxx s ASP 256 Ca 0.03 -0.44 0.03 0.00 0.71 0.00 0.00 52.55 52.88 1hxx s ASP 256 Cb -0.14 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 42.96 1hxx s ASP 256 CO -0.07 0.18 -0.09 -0.69 0.21 0.00 0.00 175.17 174.71 1hxx s VAL 257 N 0.05 0.79 -0.07 -1.27 1.01 -0.39 -1.11 120.40 119.42 1hxx s VAL 257 Ca -0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1hxx s VAL 257 Cb -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1hxx s VAL 257 CO 0.04 0.24 0.16 -0.76 0.00 0.00 0.00 175.10 174.78 1hxx s LEU 258 N 0.12 0.86 0.01 3.92 1.02 -0.78 -1.80 118.68 122.03 1hxx s LEU 258 Ca -0.02 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.49 1hxx s LEU 258 Cb -0.08 0.43 -0.01 0.00 0.02 0.00 0.00 46.19 46.55 1hxx s LEU 258 CO 0.00 -0.13 -0.12 -0.76 0.02 0.00 0.00 176.35 175.37 1hxx s LEU 259 N 0.93 2.08 -0.03 1.79 1.43 0.21 -0.83 118.68 124.25 1hxx s LEU 259 Ca -0.07 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1hxx s LEU 259 Cb -0.09 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1hxx s LEU 259 CO -0.05 0.09 0.12 -0.69 0.23 0.00 0.00 176.35 176.04 1hxx s VAL 260 N -0.51 0.03 -0.05 -1.59 1.01 -0.49 -1.46 120.40 117.32 1hxx s VAL 260 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1hxx s VAL 260 Cb -0.06 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1hxx s VAL 260 CO 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.09 1hxx s ALA 261 N -0.34 -0.03 0.06 5.51 0.00 0.14 -1.41 121.76 125.68 1hxx s ALA 261 Ca -0.04 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 1hxx s ALA 261 Cb -0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1hxx s ALA 261 CO 0.00 -0.33 -0.03 -0.65 0.00 0.00 0.00 175.76 174.75 1hxx s GLN 262 N 1.69 0.65 -0.04 0.00 -0.21 0.09 -0.64 119.66 121.20 1hxx s GLN 262 Ca -0.02 -1.24 -0.02 0.00 0.02 0.00 0.00 55.36 54.09 1hxx s GLN 262 Cb -0.12 0.18 0.02 0.00 1.00 0.00 0.00 33.01 34.09 1hxx s GLN 262 CO -0.04 -0.11 0.09 -0.47 -2.12 0.00 0.00 175.29 172.63 1hxx s TYR 263 N -3.90 -0.08 -0.39 0.91 5.04 -1.09 -1.48 117.35 116.35 1hxx s TYR 263 Ca 0.08 0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 54.89 1hxx s TYR 263 Cb 0.08 -0.08 0.05 0.00 0.35 0.00 0.00 41.96 42.36 1hxx s TYR 263 CO -0.09 -0.09 0.22 -1.14 -1.34 0.00 0.00 175.55 173.11 1hxx s GLN 264 N 0.67 2.72 0.61 4.97 2.00 0.81 -3.14 119.66 128.30 1hxx s GLN 264 Ca -0.05 -1.24 -0.15 0.00 -2.00 0.00 0.00 55.36 51.91 1hxx s GLN 264 Cb -0.07 -3.73 -0.03 0.00 0.80 0.00 0.00 33.01 29.98 1hxx s GLN 264 CO -0.03 -0.80 1.06 -0.06 -0.50 0.00 0.00 175.29 174.96 1hxx s PHE 265 N 1.49 2.99 0.36 1.67 0.08 0.56 -4.83 117.98 120.31 1hxx s PHE 265 Ca 0.02 1.50 0.13 0.00 0.12 0.00 0.00 56.93 58.70 1hxx s PHE 265 Cb -0.21 -3.00 0.69 0.00 -0.57 0.00 0.00 43.02 39.94 1hxx s PHE 265 CO 0.05 -1.15 1.81 -0.44 -0.10 0.00 0.00 175.22 175.39 1hxx h ASP 266 N 0.28 0.00 0.46 1.36 3.32 -1.98 -2.40 116.42 117.45 1hxx h ASP 266 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1hxx h ASP 266 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1hxx h ASP 266 CO 0.57 0.39 0.00 2.22 -1.72 0.00 0.00 179.24 180.70 1hxx n PHE 267 N -4.07 0.00 0.00 4.55 -1.74 -1.26 -4.89 117.46 110.05 1hxx n PHE 267 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.87 1hxx n PHE 267 Cb 0.42 -0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.16 1hxx n PHE 267 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1hxx n GLY 268 N 0.97 1.54 3.78 4.97 0.00 -0.90 -4.93 105.19 110.62 1hxx n GLY 268 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1hxx n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hxx s LEU 269 N 0.00 4.54 -0.39 0.99 2.96 -1.25 -1.38 118.68 124.15 1hxx s LEU 269 Ca 0.00 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.41 1hxx s LEU 269 Cb 0.00 -3.18 0.14 0.00 0.50 0.00 0.00 46.19 43.65 1hxx s LEU 269 CO 0.00 0.18 0.22 -0.60 -1.32 0.00 0.00 176.35 174.82 1hxx s ARG 270 N -0.85 0.87 0.69 1.98 3.52 0.60 -0.32 118.95 125.44 1hxx s ARG 270 Ca 0.35 -1.60 -0.15 0.00 -0.13 0.00 0.00 55.73 54.20 1hxx s ARG 270 Cb -0.22 -1.78 0.02 0.00 -1.56 0.00 0.00 34.95 31.41 1hxx s ARG 270 CO 0.24 -1.17 1.14 -1.25 -0.81 0.00 0.00 175.30 173.44 1hxx s PRO 271 N 0.80 2.53 -0.04 5.12 0.04 -1.19 -2.12 135.00 140.15 1hxx s PRO 271 Ca 0.17 1.48 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1hxx s PRO 271 Cb -0.23 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1hxx s PRO 271 CO -0.01 -1.48 0.13 0.45 0.04 0.00 0.00 177.00 176.13 1hxx s SER 272 N -2.48 -0.09 -0.02 6.66 0.15 0.41 -2.66 113.70 115.65 1hxx s SER 272 Ca 0.69 0.16 0.01 0.00 0.70 0.00 0.00 55.95 57.50 1hxx s SER 272 Cb -0.23 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1hxx s SER 272 CO 0.44 -0.11 -0.04 -0.63 1.20 0.00 0.00 173.24 174.10 1hxx s ILE 273 N -0.23 0.41 0.16 6.45 -1.09 0.19 -1.14 121.20 125.95 1hxx s ILE 273 Ca -0.03 -0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.14 1hxx s ILE 273 Cb -0.02 -0.40 -0.00 0.00 -1.58 0.00 0.00 42.46 40.45 1hxx s ILE 273 CO 0.00 0.16 0.32 0.00 -1.23 0.00 0.00 174.94 174.19 1hxx s ALA 274 N 0.38 -0.22 -0.04 9.38 0.00 -0.67 -0.68 121.76 129.91 1hxx s ALA 274 Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1hxx s ALA 274 Cb -0.08 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1hxx s ALA 274 CO -0.00 -0.66 0.09 -0.47 0.00 0.00 0.00 175.76 174.71 1hxx s TYR 275 N -3.94 -0.08 -0.01 0.00 5.04 -0.54 0.05 117.35 117.87 1hxx s TYR 275 Ca 0.14 0.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 1hxx s TYR 275 Cb 0.03 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.24 1hxx s TYR 275 CO -0.02 -0.11 -0.03 0.99 -1.34 0.00 0.00 175.55 175.05 1hxx s THR 276 N 0.83 0.26 -0.17 4.34 2.01 -0.75 -0.62 115.64 121.54 1hxx s THR 276 Ca -0.07 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 1hxx s THR 276 Cb -0.09 -0.25 0.06 0.00 0.01 0.00 0.00 72.50 72.23 1hxx s THR 276 CO -0.03 0.10 0.41 -0.75 -0.69 0.00 0.00 174.62 173.65 1hxx s LYS 277 N 0.16 0.38 -0.08 4.92 2.20 -0.74 -1.21 119.74 125.37 1hxx s LYS 277 Ca -0.01 0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 56.42 1hxx s LYS 277 Cb -0.04 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1hxx s LYS 277 CO -0.00 -0.18 -0.03 0.45 -0.36 0.00 0.00 175.35 175.23 1hxx s SER 278 N 1.61 1.62 -0.06 1.43 0.15 0.21 -1.26 113.70 117.39 1hxx s SER 278 Ca -0.08 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1hxx s SER 278 Cb -0.09 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1hxx s SER 278 CO -0.13 -0.14 -0.22 -1.59 1.20 0.00 0.00 173.24 172.37 1hxx s LYS 279 N 1.65 2.37 0.24 5.44 -2.85 -0.83 -0.03 119.74 125.73 1hxx s LYS 279 Ca 0.01 -0.78 -0.14 0.00 -1.00 0.00 0.00 55.97 54.07 1hxx s LYS 279 Cb -0.13 -1.96 -0.08 0.00 -2.06 0.00 0.00 37.83 33.61 1hxx s LYS 279 CO -0.05 0.27 0.64 0.00 0.10 0.00 0.00 175.35 176.31 1hxx s ALA 280 N 0.07 3.47 0.02 0.59 0.00 0.68 -1.81 121.76 124.78 1hxx s ALA 280 Ca -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1hxx s ALA 280 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 1hxx s ALA 280 CO 0.04 0.41 -0.12 0.15 0.00 0.00 0.00 175.76 176.25 1hxx s LYS 281 N -2.56 0.88 -1.04 0.00 1.02 0.00 -1.93 119.74 116.10 1hxx s LYS 281 Ca 0.47 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 1hxx s LYS 281 Cb -0.12 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 1hxx s LYS 281 CO 0.19 0.22 0.19 -0.25 -0.92 0.00 0.00 175.35 174.79 1hxx n ASP 282 N 2.29 -4.25 -4.69 2.83 8.00 -1.21 -3.16 116.55 116.36 1hxx n ASP 282 Ca -0.16 -0.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 1hxx n ASP 282 Cb 0.55 -3.28 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 1hxx n ASP 282 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1hxx s VAL 283 N -2.80 4.01 -0.30 2.53 1.01 -1.04 -4.65 120.40 119.16 1hxx s VAL 283 Ca 0.10 1.36 -0.37 0.00 0.00 0.00 0.00 61.98 63.07 1hxx s VAL 283 Cb -0.04 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 1hxx s VAL 283 CO 0.12 0.01 2.00 -1.84 0.00 0.00 0.00 175.10 175.39 1hxx n GLU 284 N 5.18 1.19 0.00 2.72 0.00 -1.26 -1.33 120.64 127.14 1hxx n GLU 284 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1hxx n GLU 284 Cb 0.45 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.57 1hxx n GLU 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1hxx n GLY 285 N 5.56 2.19 0.03 -1.84 0.00 -1.26 -4.82 105.19 105.06 1hxx n GLY 285 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 1hxx n GLY 285 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hxx n ILE 286 N -2.00 0.43 -2.04 -0.61 -0.00 -0.44 -5.11 119.36 109.58 1hxx n ILE 286 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 1hxx n ILE 286 Cb 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 39.64 38.82 1hxx n ILE 286 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1hxx n GLY 287 N 2.75 0.51 3.76 7.39 0.00 -0.80 -4.84 105.19 113.95 1hxx n GLY 287 Ca -0.11 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1hxx n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hxx s ASP 288 N -4.00 6.78 -0.12 1.61 -0.00 -1.26 -2.49 116.67 117.18 1hxx s ASP 288 Ca 0.00 0.93 -0.15 0.00 -0.00 0.00 0.00 52.55 53.32 1hxx s ASP 288 Cb 0.00 -2.29 0.04 0.00 -0.00 0.00 0.00 42.92 40.67 1hxx s ASP 288 CO 0.00 0.11 0.41 0.54 -0.00 0.00 0.00 175.17 176.23 1hxx s VAL 289 N -0.01 0.01 0.23 -1.27 0.11 -0.81 -5.02 120.40 113.65 1hxx s VAL 289 Ca 0.26 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 1hxx s VAL 289 Cb -0.16 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 1hxx s VAL 289 CO 0.12 -0.06 1.02 -1.81 -3.33 0.00 0.00 175.10 171.05 1hxx s ASP 290 N -0.18 7.44 -0.22 3.54 1.01 -1.26 -0.23 116.67 126.76 1hxx s ASP 290 Ca -0.03 2.08 -0.01 0.00 0.71 0.00 0.00 52.55 55.29 1hxx s ASP 290 Cb -0.03 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.15 1hxx s ASP 290 CO 0.02 -0.03 -0.22 0.18 0.21 0.00 0.00 175.17 175.33 1hxx n LEU 291 N 1.63 2.68 -3.93 1.23 4.77 0.96 -4.86 117.00 119.48 1hxx n LEU 291 Ca -0.01 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1hxx n LEU 291 Cb 0.46 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1hxx n LEU 291 CO 0.52 0.79 -0.39 -0.69 -1.33 0.00 0.00 177.39 176.28 1hxx s VAL 292 N -2.44 0.32 -0.30 4.08 1.01 -0.93 -4.97 120.40 117.18 1hxx s VAL 292 Ca -0.31 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1hxx s VAL 292 Cb 0.09 -0.29 0.19 0.00 0.00 0.00 0.00 36.38 36.37 1hxx s VAL 292 CO 0.49 0.10 0.92 0.21 0.00 0.00 0.00 175.10 176.82 1hxx s ASN 293 N 0.05 -0.74 0.29 3.32 3.84 -1.24 -0.62 114.94 119.83 1hxx s ASN 293 Ca -0.00 0.08 -0.13 0.00 0.21 0.00 0.00 52.86 53.02 1hxx s ASN 293 Cb -0.03 1.46 0.01 0.00 -0.55 0.00 0.00 41.25 42.14 1hxx s ASN 293 CO -0.00 -0.14 0.56 -0.72 -2.79 0.00 0.00 177.10 174.01 1hxx s TYR 294 N 2.91 0.35 -0.00 0.43 -0.85 -0.35 0.13 117.35 119.96 1hxx s TYR 294 Ca 0.23 -0.75 0.07 0.00 -0.52 0.00 0.00 57.07 56.10 1hxx s TYR 294 Cb -0.04 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 1hxx s TYR 294 CO -0.24 -1.13 -0.23 -0.06 -1.52 0.00 0.00 175.55 172.38 1hxx s PHE 295 N -3.63 2.43 0.05 -3.49 0.40 -0.67 -1.80 117.98 111.26 1hxx s PHE 295 Ca 0.21 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 1hxx s PHE 295 Cb -0.02 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 1hxx s PHE 295 CO 0.11 0.08 -0.22 -2.00 0.70 0.00 0.00 175.22 173.89 1hxx s GLU 296 N -0.88 1.44 -0.02 0.44 -6.30 0.11 -1.14 118.70 112.34 1hxx s GLU 296 Ca 0.11 -0.99 0.00 0.00 -2.50 0.00 0.00 54.97 51.59 1hxx s GLU 296 Cb -0.10 -1.58 0.02 0.00 0.00 0.00 0.00 34.13 32.47 1hxx s GLU 296 CO 0.01 0.40 0.01 0.08 0.02 0.00 0.00 175.26 175.78 1hxx s VAL 297 N -0.83 0.04 0.22 3.70 1.01 -0.81 -1.67 120.40 122.06 1hxx s VAL 297 Ca 0.08 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 1hxx s VAL 297 Cb -0.09 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.23 1hxx s VAL 297 CO 0.02 0.08 0.97 -0.83 0.00 0.00 0.00 175.10 175.34 1hxx s GLY 298 N 0.71 0.08 -0.08 4.51 0.00 -0.29 -1.13 107.32 111.12 1hxx s GLY 298 Ca -0.06 -0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.12 1hxx s GLY 298 CO -0.02 1.29 0.52 0.00 0.00 0.00 0.00 173.10 174.90 1hxx s ALA 299 N -2.49 -1.32 -0.03 3.20 0.00 -0.69 -0.45 121.76 119.98 1hxx s ALA 299 Ca 0.18 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1hxx s ALA 299 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1hxx s ALA 299 CO 0.06 -0.30 -0.23 0.99 0.00 0.00 0.00 175.76 176.28 1hxx s THR 300 N -0.80 2.31 -0.20 0.00 2.01 -0.90 -1.63 115.64 116.43 1hxx s THR 300 Ca -0.09 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1hxx s THR 300 Cb -0.03 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.67 1hxx s THR 300 CO 0.05 0.58 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.96 1hxx s TYR 301 N -0.60 2.89 -0.51 4.92 6.14 0.98 -0.29 117.35 130.88 1hxx s TYR 301 Ca 0.09 -1.47 -0.17 0.00 0.64 0.00 0.00 57.07 56.16 1hxx s TYR 301 Cb -0.10 -1.99 0.07 0.00 0.42 0.00 0.00 41.96 40.36 1hxx s TYR 301 CO -0.00 -0.73 0.54 0.71 0.64 0.00 0.00 175.55 176.71 1hxx s TYR 302 N 1.34 3.13 0.21 4.97 2.02 -0.48 -1.29 117.35 127.25 1hxx s TYR 302 Ca 0.04 -0.78 -0.06 0.00 -0.37 0.00 0.00 57.07 55.90 1hxx s TYR 302 Cb -0.14 -3.47 0.16 0.00 -0.40 0.00 0.00 41.96 38.11 1hxx s TYR 302 CO -0.09 -0.97 1.65 0.74 -1.57 0.00 0.00 175.55 175.30 1hxx h PHE 303 N 8.92 0.99 -0.59 2.71 0.04 -1.34 -3.42 116.94 124.25 1hxx h PHE 303 Ca -0.28 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1hxx h PHE 303 Cb 1.10 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1hxx h PHE 303 CO 0.72 0.95 0.00 0.27 -0.60 0.00 0.00 178.31 179.65 1hxx n ASN 304 N -4.15 0.00 0.17 2.17 0.23 -1.16 -4.97 115.26 107.55 1hxx n ASN 304 Ca 0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.19 1hxx n ASN 304 Cb 0.39 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.47 1hxx n ASN 304 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1hxx h LYS 305 N 0.00 0.00 0.00 -3.83 1.57 -1.97 -3.21 116.57 109.12 1hxx h LYS 305 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1hxx h LYS 305 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1hxx h LYS 305 CO 0.00 0.00 -1.93 0.09 -0.57 0.00 0.00 179.45 177.04 1hxx n ASN 306 N -2.63 0.54 -4.01 0.86 4.13 -1.26 -4.83 115.26 108.06 1hxx n ASN 306 Ca 0.04 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.10 1hxx n ASN 306 Cb 0.41 1.80 -0.15 0.00 -1.54 0.00 0.00 39.78 40.30 1hxx n ASN 306 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1hxx s MET 307 N -3.27 0.87 0.26 3.52 1.75 -1.21 -0.51 119.30 120.71 1hxx s MET 307 Ca -0.07 -0.32 -0.14 0.00 -1.25 0.00 0.00 55.69 53.90 1hxx s MET 307 Cb 0.12 -0.82 0.00 0.00 2.84 0.00 0.00 34.83 36.97 1hxx s MET 307 CO 0.80 0.16 0.54 -1.54 -0.65 0.00 0.00 175.02 174.33 1hxx s SER 308 N -0.00 -0.10 0.03 1.11 1.04 -0.47 -0.90 113.70 114.41 1hxx s SER 308 Ca 0.00 -0.88 -0.06 0.00 0.48 0.00 0.00 55.95 55.49 1hxx s SER 308 Cb -0.06 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 1hxx s SER 308 CO 0.00 -1.21 0.11 -0.89 0.98 0.00 0.00 173.24 172.24 1hxx s THR 309 N -3.92 0.12 0.14 2.02 2.01 -0.41 -1.41 115.64 114.19 1hxx s THR 309 Ca 0.20 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1hxx s THR 309 Cb -0.02 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.72 1hxx s THR 309 CO 0.09 -0.54 0.35 -0.72 -0.69 0.00 0.00 174.62 173.11 1hxx s TYR 310 N -2.33 0.06 -0.06 4.92 -0.85 -0.42 -0.01 117.35 118.66 1hxx s TYR 310 Ca -0.07 -0.42 0.01 0.00 -0.52 0.00 0.00 57.07 56.07 1hxx s TYR 310 Cb -0.03 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.47 1hxx s TYR 310 CO -0.03 -0.72 -0.08 0.08 -1.52 0.00 0.00 175.55 173.28 1hxx s VAL 311 N -3.88 0.79 -0.09 -3.49 1.01 -0.65 -1.01 120.40 113.09 1hxx s VAL 311 Ca 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1hxx s VAL 311 Cb 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1hxx s VAL 311 CO -0.06 0.28 -0.11 -0.62 0.00 0.00 0.00 175.10 174.59 1hxx s ASP 312 N 0.85 2.02 -0.12 3.32 -1.08 0.93 -1.70 116.67 120.88 1hxx s ASP 312 Ca -0.12 -0.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.61 1hxx s ASP 312 Cb -0.15 -0.87 0.01 0.00 -1.46 0.00 0.00 42.92 40.46 1hxx s ASP 312 CO 0.01 -0.03 -0.18 -0.47 0.52 0.00 0.00 175.17 175.03 1hxx s TYR 313 N 1.13 2.21 -0.36 -5.34 5.04 -0.28 0.04 117.35 119.78 1hxx s TYR 313 Ca -0.06 -1.07 -0.11 0.00 -2.44 0.00 0.00 57.07 53.40 1hxx s TYR 313 Cb -0.14 -1.56 0.02 0.00 0.35 0.00 0.00 41.96 40.63 1hxx s TYR 313 CO -0.02 -0.52 0.21 0.42 -1.34 0.00 0.00 175.55 174.30 1hxx s ILE 314 N 0.92 4.69 -0.96 3.14 -1.09 -0.05 -1.93 121.20 125.92 1hxx s ILE 314 Ca -0.07 -0.72 -0.18 0.00 -2.23 0.00 0.00 60.65 57.45 1hxx s ILE 314 Cb -0.15 -3.56 0.14 0.00 -1.58 0.00 0.00 42.46 37.31 1hxx s ILE 314 CO -0.02 -0.17 1.14 -0.63 -1.23 0.00 0.00 174.94 174.03 1hxx s ILE 315 N 1.59 4.85 0.18 2.92 1.01 -0.30 -2.75 121.20 128.71 1hxx s ILE 315 Ca 0.03 -1.80 -0.30 0.00 0.00 0.00 0.00 60.65 58.57 1hxx s ILE 315 Cb -0.19 -4.77 -0.09 0.00 0.01 0.00 0.00 42.46 37.43 1hxx s ILE 315 CO 0.07 -1.48 1.33 0.21 0.00 0.00 0.00 174.94 175.07 1hxx s ASN 316 N 3.39 6.87 0.00 3.58 3.84 -1.26 -1.67 114.94 129.68 1hxx s ASN 316 Ca 0.33 2.40 0.13 0.00 0.21 0.00 0.00 52.86 55.93 1hxx s ASN 316 Cb -0.05 -2.61 0.18 0.00 -0.55 0.00 0.00 41.25 38.23 1hxx s ASN 316 CO -0.08 -0.56 1.04 0.00 -2.79 0.00 0.00 177.10 174.70 1hxx n GLN 317 N 2.89 1.43 -1.76 0.43 1.13 0.34 -4.87 117.38 116.97 1hxx n GLN 317 Ca 0.07 -1.55 -0.41 0.00 -1.94 0.00 0.00 57.00 53.17 1hxx n GLN 317 Cb 0.43 -1.28 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 1hxx n GLN 317 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1hxx n ILE 318 N 0.76 1.63 -2.19 5.09 2.08 -1.14 -4.97 119.36 120.62 1hxx n ILE 318 Ca 0.10 -0.41 -0.30 0.00 0.56 0.00 0.00 62.75 62.70 1hxx n ILE 318 Cb 0.37 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 1hxx n ILE 318 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1hxx s ASP 319 N 0.10 6.27 0.49 4.38 -4.77 -1.26 -4.64 116.67 117.23 1hxx s ASP 319 Ca 0.57 1.24 0.32 0.00 -3.30 0.00 0.00 52.55 51.39 1hxx s ASP 319 Cb -0.49 -2.39 1.40 0.00 -1.09 0.00 0.00 42.92 40.35 1hxx s ASP 319 CO 0.58 -0.74 1.95 0.77 0.70 0.00 0.00 175.17 178.43 1hxx h SER 320 N -0.03 0.00 -0.63 2.11 4.64 -1.93 -2.40 113.55 115.31 1hxx h SER 320 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1hxx h SER 320 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1hxx h SER 320 CO 0.62 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.05 1hxx n ASP 321 N -2.85 3.63 -4.61 4.97 10.43 -1.26 -4.98 116.55 121.88 1hxx n ASP 321 Ca 0.00 -1.99 -0.59 0.00 2.57 0.00 0.00 54.79 54.79 1hxx n ASP 321 Cb 0.25 -0.42 -0.08 0.00 1.84 0.00 0.00 41.12 42.71 1hxx n ASP 321 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1hxx n ASN 322 N 1.50 1.08 0.31 -2.24 2.85 -0.91 -4.81 115.26 113.04 1hxx n ASN 322 Ca 0.22 1.14 0.21 0.00 -0.11 0.00 0.00 54.58 56.04 1hxx n ASN 322 Cb 0.58 -1.02 1.07 0.00 1.24 0.00 0.00 39.78 41.65 1hxx n ASN 322 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1hxx h LYS 323 N 4.50 0.00 -0.01 1.20 1.79 -1.93 -2.68 116.57 119.46 1hxx h LYS 323 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1hxx h LYS 323 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1hxx h LYS 323 CO 0.80 0.00 -0.66 1.28 -1.08 0.00 0.00 179.45 179.79 1hxx n LEU 324 N -3.02 1.39 0.00 2.94 4.77 -1.26 -4.90 117.00 116.92 1hxx n LEU 324 Ca -0.02 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1hxx n LEU 324 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1hxx n LEU 324 CO 0.21 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1hxx n GLY 325 N 1.45 0.83 3.69 -0.72 0.00 -1.01 -0.93 105.19 108.49 1hxx n GLY 325 Ca 0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1hxx n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hxx s VAL 326 N -2.00 2.80 0.34 1.61 1.01 -1.26 -4.90 120.40 118.00 1hxx s VAL 326 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1hxx s VAL 326 Cb 0.00 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 33.09 1hxx s VAL 326 CO 0.00 -0.00 0.92 0.61 0.00 0.00 0.00 175.10 176.62 1hxx n GLY 327 N 4.15 -0.50 0.14 4.51 0.00 -1.26 -4.80 105.19 107.43 1hxx n GLY 327 Ca 0.17 0.23 0.04 0.00 0.00 0.00 0.00 46.02 46.47 1hxx n GLY 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hxx n SER 328 N 1.07 0.90 -4.84 1.61 3.41 0.52 -4.52 113.62 111.77 1hxx n SER 328 Ca 0.10 -0.95 -0.32 0.00 -0.26 0.00 0.00 58.87 57.44 1hxx n SER 328 Cb 0.35 0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 64.91 1hxx n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hxx s ASP 329 N -1.48 6.69 0.85 4.04 1.01 0.34 -4.67 116.67 123.45 1hxx s ASP 329 Ca 0.06 1.52 -0.11 0.00 0.71 0.00 0.00 52.55 54.73 1hxx s ASP 329 Cb 0.07 -2.48 0.10 0.00 1.01 0.00 0.00 42.92 41.62 1hxx s ASP 329 CO 0.28 -0.48 1.09 -1.81 0.21 0.00 0.00 175.17 174.46 1hxx s ASP 330 N -2.82 3.84 -0.02 0.27 1.11 -1.26 -1.14 116.67 116.66 1hxx s ASP 330 Ca 0.58 1.65 -0.01 0.00 0.18 0.00 0.00 52.55 54.95 1hxx s ASP 330 Cb -0.10 -2.33 0.01 0.00 1.07 0.00 0.00 42.92 41.57 1hxx s ASP 330 CO 0.26 -2.43 0.04 -0.89 1.18 0.00 0.00 175.17 173.33 1hxx s THR 331 N -2.91 -0.01 -0.10 -1.27 2.01 -1.11 -4.42 115.64 107.83 1hxx s THR 331 Ca 0.63 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.70 1hxx s THR 331 Cb -0.18 -0.07 0.00 0.00 0.01 0.00 0.00 72.50 72.26 1hxx s THR 331 CO 0.57 0.02 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.59 1hxx s VAL 332 N 0.22 2.03 -0.04 3.82 1.01 -0.04 -0.87 120.40 126.52 1hxx s VAL 332 Ca -0.02 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.02 1hxx s VAL 332 Cb -0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1hxx s VAL 332 CO -0.01 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 1hxx s ALA 333 N 0.37 2.48 -0.04 5.51 0.00 0.11 0.54 121.76 130.72 1hxx s ALA 333 Ca -0.18 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1hxx s ALA 333 Cb -0.18 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 1hxx s ALA 333 CO 0.08 0.53 -0.16 0.08 0.00 0.00 0.00 175.76 176.30 1hxx s VAL 334 N -0.64 1.33 -0.01 0.00 1.01 -0.47 -0.05 120.40 121.56 1hxx s VAL 334 Ca 0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1hxx s VAL 334 Cb -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1hxx s VAL 334 CO 0.00 0.39 0.06 -0.83 0.00 0.00 0.00 175.10 174.72 1hxx s GLY 335 N 0.12 0.01 -0.13 4.51 0.00 -0.18 -1.92 107.32 109.73 1hxx s GLY 335 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.69 1hxx s GLY 335 CO 0.02 -0.04 -0.16 -1.50 0.00 0.00 0.00 173.10 171.42 1hxx s ILE 336 N -0.45 1.63 -0.16 0.90 2.07 -0.07 -1.30 121.20 123.82 1hxx s ILE 336 Ca -0.05 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1hxx s ILE 336 Cb -0.03 -1.49 0.01 0.00 0.13 0.00 0.00 42.46 41.07 1hxx s ILE 336 CO 0.00 0.47 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.62 1hxx s VAL 337 N 1.14 2.22 -0.12 4.00 1.01 -0.50 -0.98 120.40 127.17 1hxx s VAL 337 Ca -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1hxx s VAL 337 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1hxx s VAL 337 CO -0.05 0.53 -0.04 -0.47 0.00 0.00 0.00 175.10 175.07 1hxx s TYR 338 N 1.00 3.02 0.06 5.22 5.04 -0.99 -1.37 117.35 129.32 1hxx s TYR 338 Ca -0.02 -0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 54.41 1hxx s TYR 338 Cb -0.15 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 1hxx s TYR 338 CO -0.05 0.16 0.14 1.14 -1.34 0.00 0.00 175.55 175.59 1hxx s GLN 339 N -0.21 0.70 0.00 4.97 -2.07 0.33 -1.70 119.66 121.68 1hxx s GLN 339 Ca 0.04 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 1hxx s GLN 339 Cb -0.13 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1hxx s GLN 339 CO 0.02 -0.19 0.00 1.97 -1.32 0.00 0.00 175.29 175.77