#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw1 n GLY -3 N 0.00 -0.66 3.75 3.41 0.00 -0.62 -4.96 105.19 106.10 3hw1 n GLY -3 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3hw1 n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw1 s SER -2 N -4.00 6.28 -0.55 1.61 0.15 -1.26 -1.61 113.70 114.32 3hw1 s SER -2 Ca 0.00 0.31 0.05 0.00 0.70 0.00 0.00 55.95 57.01 3hw1 s SER -2 Cb 0.00 -2.11 0.36 0.00 -1.71 0.00 0.00 66.02 62.57 3hw1 s SER -2 CO 0.00 0.19 1.01 0.49 1.20 0.00 0.00 173.24 176.13 3hw1 n PHE -1 N 3.36 3.88 -0.34 3.44 3.01 -1.26 -4.95 117.46 124.60 3hw1 n PHE -1 Ca -0.16 -3.74 0.26 0.00 1.01 0.00 0.00 57.45 54.82 3hw1 n PHE -1 Cb 0.52 -0.39 0.50 0.00 -0.01 0.00 0.00 39.48 40.11 3hw1 n PHE -1 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 3hw1 h VAL 0 N 2.86 0.26 0.00 -4.37 -1.51 -1.97 -0.50 116.25 111.01 3hw1 h VAL 0 Ca 0.18 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 3hw1 h VAL 0 Cb 0.61 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3hw1 h VAL 0 CO 0.83 0.05 0.00 -0.33 -1.23 0.00 0.00 177.57 176.89 3hw1 h GLU 1 N 0.27 0.00 0.00 5.19 4.39 -1.92 -3.13 114.58 119.38 3hw1 h GLU 1 Ca 0.75 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.29 3hw1 h GLU 1 Cb 1.80 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.42 3hw1 h GLU 1 CO -0.61 0.00 -2.17 -1.33 -1.16 0.00 0.00 179.01 173.74 3hw1 n MET 2 N -2.67 0.67 -1.62 2.33 2.81 -0.22 -4.37 117.12 114.05 3hw1 n MET 2 Ca 0.02 -0.12 -0.40 0.00 -1.81 0.00 0.00 57.70 55.39 3hw1 n MET 2 Cb 0.33 -1.52 0.02 0.00 -0.71 0.00 0.00 33.22 31.34 3hw1 n MET 2 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hw1 n VAL 3 N -2.48 2.73 -4.25 2.03 0.31 -1.08 -2.00 118.33 113.60 3hw1 n VAL 3 Ca -0.17 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.30 3hw1 n VAL 3 Cb 0.83 -1.19 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 3hw1 n VAL 3 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hw1 n ASP 4 N 0.18 -2.37 -0.82 4.52 2.03 -1.24 -4.85 116.55 114.00 3hw1 n ASP 4 Ca 0.10 -1.07 0.11 0.00 0.52 0.00 0.00 54.79 54.45 3hw1 n ASP 4 Cb 0.41 -2.52 0.29 0.00 -0.72 0.00 0.00 41.12 38.59 3hw1 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hw1 n ASN 5 N -2.68 2.46 -4.66 1.67 6.94 -0.80 -4.87 115.26 113.32 3hw1 n ASN 5 Ca 0.00 -1.84 -0.29 0.00 -0.02 0.00 0.00 54.58 52.43 3hw1 n ASN 5 Cb 0.52 -0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 37.70 3hw1 n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hw1 s LEU 6 N -1.54 3.32 0.22 -4.53 1.43 0.11 -4.46 118.68 113.23 3hw1 s LEU 6 Ca 0.35 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3hw1 s LEU 6 Cb 0.20 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3hw1 s LEU 6 CO 0.28 0.14 0.20 -0.13 0.23 0.00 0.00 176.35 177.08 3hw1 s ARG 7 N -2.52 1.32 0.00 1.70 1.81 -0.77 -2.58 118.95 117.91 3hw1 s ARG 7 Ca 0.25 -1.62 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 3hw1 s ARG 7 Cb -0.11 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.70 3hw1 s ARG 7 CO 0.17 -0.46 0.00 0.41 -0.68 0.00 0.00 175.30 174.74 3hw1 n GLY 8 N -0.33 1.56 3.86 -3.53 0.00 0.12 -0.31 105.19 106.57 3hw1 n GLY 8 Ca 0.02 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3hw1 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw1 s LYS 9 N -2.00 3.80 0.09 1.61 -0.14 -1.25 0.85 119.74 122.70 3hw1 s LYS 9 Ca 0.00 0.25 -0.36 0.00 -1.36 0.00 0.00 55.97 54.50 3hw1 s LYS 9 Cb 0.00 -3.08 -0.16 0.00 -1.68 0.00 0.00 37.83 32.91 3hw1 s LYS 9 CO 0.00 0.62 1.43 0.45 -0.76 0.00 0.00 175.35 177.09 3hw1 n SER 10 N 1.27 2.12 0.00 2.83 2.88 0.19 -1.30 113.62 121.61 3hw1 n SER 10 Ca -0.11 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 3hw1 n SER 10 Cb 0.52 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3hw1 n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hw1 n GLY 11 N 2.88 0.75 0.03 0.46 0.00 -1.26 -4.83 105.19 103.23 3hw1 n GLY 11 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3hw1 n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hw1 n GLN 12 N -2.00 2.19 0.00 1.61 6.02 -0.42 -4.88 117.38 119.89 3hw1 n GLN 12 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 3hw1 n GLN 12 Cb 0.00 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3hw1 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hw1 n GLY 13 N -0.93 2.41 3.65 1.08 0.00 -1.24 -4.78 105.19 105.39 3hw1 n GLY 13 Ca 0.07 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 3hw1 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hw1 s TYR 14 N -2.47 3.28 0.18 1.61 1.51 -1.26 -3.87 117.35 116.33 3hw1 s TYR 14 Ca 0.00 0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.27 3hw1 s TYR 14 Cb 0.00 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3hw1 s TYR 14 CO 0.00 0.19 -0.19 1.52 -1.11 0.00 0.00 175.55 175.96 3hw1 s TYR 15 N 0.33 1.90 0.22 2.71 -0.85 0.58 -1.33 117.35 120.92 3hw1 s TYR 15 Ca 0.04 -0.46 0.11 0.00 -0.52 0.00 0.00 57.07 56.25 3hw1 s TYR 15 Cb -0.12 -0.93 -0.05 0.00 0.38 0.00 0.00 41.96 41.25 3hw1 s TYR 15 CO -0.00 0.38 -0.22 0.54 -1.52 0.00 0.00 175.55 174.73 3hw1 s VAL 16 N -2.15 2.35 -0.09 -3.49 0.11 -0.39 -1.86 120.40 114.89 3hw1 s VAL 16 Ca 0.18 -2.17 -0.22 0.00 -2.93 0.00 0.00 61.98 56.84 3hw1 s VAL 16 Cb -0.05 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 3hw1 s VAL 16 CO 0.08 -0.25 0.64 -0.70 -3.33 0.00 0.00 175.10 171.53 3hw1 s GLU 17 N -3.02 4.39 0.12 1.54 2.12 -1.26 -0.42 118.70 122.17 3hw1 s GLU 17 Ca 0.24 0.75 0.06 0.00 0.36 0.00 0.00 54.97 56.37 3hw1 s GLU 17 Cb -0.06 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3hw1 s GLU 17 CO 0.11 0.07 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.13 3hw1 s MET 18 N 0.84 1.01 -0.12 4.30 -1.94 -0.30 -3.95 119.30 119.14 3hw1 s MET 18 Ca 0.34 -1.25 0.02 0.00 -1.71 0.00 0.00 55.69 53.09 3hw1 s MET 18 Cb -0.17 -0.85 -0.00 0.00 2.01 0.00 0.00 34.83 35.82 3hw1 s MET 18 CO 0.15 0.16 -0.20 0.95 -0.01 0.00 0.00 175.02 176.07 3hw1 s THR 19 N -2.24 2.35 0.04 2.05 -4.23 -0.79 -0.76 115.64 112.06 3hw1 s THR 19 Ca 0.09 -0.90 0.08 0.00 -1.18 0.00 0.00 61.69 59.78 3hw1 s THR 19 Cb -0.04 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 3hw1 s THR 19 CO 0.03 0.54 -0.23 0.68 -0.54 0.00 0.00 174.62 175.10 3hw1 s VAL 20 N 0.51 1.87 0.00 2.29 -7.23 -0.39 -1.24 120.40 116.21 3hw1 s VAL 20 Ca -0.13 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3hw1 s VAL 20 Cb -0.17 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3hw1 s VAL 20 CO 0.05 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 3hw1 n GLY 21 N 1.85 1.59 3.07 2.32 0.00 -0.52 -1.16 105.19 112.35 3hw1 n GLY 21 Ca -0.17 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 3hw1 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw1 s SER 22 N -0.29 2.88 0.92 1.61 0.01 -1.26 -2.22 113.70 115.35 3hw1 s SER 22 Ca 0.00 -0.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 3hw1 s SER 22 Cb 0.00 -1.31 0.14 0.00 0.21 0.00 0.00 66.02 65.06 3hw1 s SER 22 CO 0.00 -0.02 1.12 -2.16 0.41 0.00 0.00 173.24 172.59 3hw1 s PRO 23 N 1.33 1.04 0.13 12.44 0.04 -1.26 0.09 135.00 148.81 3hw1 s PRO 23 Ca 0.03 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.12 3hw1 s PRO 23 Cb -0.13 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 3hw1 s PRO 23 CO -0.10 -2.56 1.53 -1.25 0.04 0.00 0.00 177.00 174.65 3hw1 s PRO 24 N -4.69 4.24 -0.21 0.56 0.04 -0.94 -4.91 135.00 129.10 3hw1 s PRO 24 Ca 0.66 2.27 -0.07 0.00 0.04 0.00 0.00 61.00 63.90 3hw1 s PRO 24 Cb -0.22 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 3hw1 s PRO 24 CO 0.58 -0.58 0.05 -0.65 0.04 0.00 0.00 177.00 176.45 3hw1 s GLN 25 N 1.37 3.79 -0.03 4.56 -0.21 -0.31 -4.92 119.66 123.91 3hw1 s GLN 25 Ca 0.69 -0.43 -0.25 0.00 0.02 0.00 0.00 55.36 55.39 3hw1 s GLN 25 Cb -0.41 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 3hw1 s GLN 25 CO 0.31 0.07 0.78 0.99 -2.12 0.00 0.00 175.29 175.32 3hw1 s THR 26 N 0.90 4.95 0.02 -0.19 2.01 -1.26 -1.26 115.64 120.80 3hw1 s THR 26 Ca 0.03 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.66 3hw1 s THR 26 Cb -0.14 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 3hw1 s THR 26 CO 0.02 0.25 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.43 3hw1 s LEU 27 N 0.71 2.17 -0.24 4.42 1.43 0.06 -4.96 118.68 122.26 3hw1 s LEU 27 Ca 0.41 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.93 3hw1 s LEU 27 Cb -0.19 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 3hw1 s LEU 27 CO 0.21 -0.28 0.36 0.20 0.23 0.00 0.00 176.35 177.08 3hw1 s ASN 28 N -1.33 6.31 -0.16 2.29 0.02 -1.26 -1.14 114.94 119.66 3hw1 s ASN 28 Ca -0.15 0.36 0.01 0.00 -1.02 0.00 0.00 52.86 52.07 3hw1 s ASN 28 Cb -0.09 -2.21 0.02 0.00 0.02 0.00 0.00 41.25 38.99 3hw1 s ASN 28 CO -0.01 -0.12 -0.19 -0.63 0.02 0.00 0.00 177.10 176.18 3hw1 s ILE 29 N 1.69 1.90 0.03 0.60 -1.09 0.44 -0.15 121.20 124.61 3hw1 s ILE 29 Ca 0.16 -0.85 -0.35 0.00 -2.23 0.00 0.00 60.65 57.38 3hw1 s ILE 29 Cb -0.15 -1.72 -0.14 0.00 -1.58 0.00 0.00 42.46 38.87 3hw1 s ILE 29 CO 0.09 0.51 1.65 -0.11 -1.23 0.00 0.00 174.94 175.85 3hw1 n LEU 30 N 4.53 2.90 -4.59 2.97 7.94 -0.12 -1.26 117.00 129.36 3hw1 n LEU 30 Ca -0.20 1.05 -0.43 0.00 -1.11 0.00 0.00 56.01 55.33 3hw1 n LEU 30 Cb 0.50 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 3hw1 n LEU 30 CO 0.25 -0.35 0.73 -0.69 -1.11 0.00 0.00 177.39 176.21 3hw1 s VAL 31 N 2.05 4.59 -0.25 1.96 1.01 -0.44 0.13 120.40 129.46 3hw1 s VAL 31 Ca 0.86 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 3hw1 s VAL 31 Cb -0.76 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 31.37 3hw1 s VAL 31 CO 0.46 -0.57 0.08 -0.62 0.00 0.00 0.00 175.10 174.45 3hw1 s ASP 32 N 1.94 3.35 0.00 3.32 2.15 -0.08 -4.25 116.67 123.09 3hw1 s ASP 32 Ca 0.37 -1.16 0.13 0.00 0.43 0.00 0.00 52.55 52.32 3hw1 s ASP 32 Cb -0.12 -0.59 0.68 0.00 -0.30 0.00 0.00 42.92 42.59 3hw1 s ASP 32 CO 0.20 -0.37 1.45 0.35 -0.17 0.00 0.00 175.17 176.62 3hw1 n THR 33 N 5.06 0.07 0.87 1.71 -2.24 -1.26 -0.64 114.28 117.85 3hw1 n THR 33 Ca -0.06 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3hw1 n THR 33 Cb 0.45 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3hw1 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw1 n GLY 34 N 0.79 -0.71 3.63 3.38 0.00 -1.26 -4.23 105.19 106.79 3hw1 n GLY 34 Ca 0.10 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3hw1 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw1 s SER 35 N -2.72 3.46 -0.01 1.61 1.04 -1.21 -4.93 113.70 110.93 3hw1 s SER 35 Ca 0.07 -1.65 0.02 0.00 0.48 0.00 0.00 55.95 54.87 3hw1 s SER 35 Cb 0.14 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.77 3hw1 s SER 35 CO 0.75 -0.88 0.79 -1.20 0.98 0.00 0.00 173.24 173.68 3hw1 n SER 36 N -1.27 0.48 -4.53 7.02 7.64 -1.26 0.30 113.62 122.00 3hw1 n SER 36 Ca -0.12 -1.66 -0.33 0.00 1.01 0.00 0.00 58.87 57.77 3hw1 n SER 36 Cb 0.66 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.63 3hw1 n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3hw1 s ASN 37 N -0.73 4.39 -0.60 6.43 -0.87 -1.26 -4.49 114.94 117.81 3hw1 s ASN 37 Ca 0.03 -0.10 -0.21 0.00 -1.57 0.00 0.00 52.86 51.00 3hw1 s ASN 37 Cb 0.03 -1.07 0.07 0.00 -0.02 0.00 0.00 41.25 40.25 3hw1 s ASN 37 CO 0.00 0.35 0.84 0.12 -2.57 0.00 0.00 177.10 175.84 3hw1 s PHE 38 N -0.71 2.83 -0.10 2.20 5.99 -1.26 -1.35 117.98 125.58 3hw1 s PHE 38 Ca 0.11 -0.54 0.04 0.00 0.00 0.00 0.00 56.93 56.54 3hw1 s PHE 38 Cb -0.11 -4.06 0.00 0.00 0.00 0.00 0.00 43.02 38.86 3hw1 s PHE 38 CO 0.01 -1.41 -0.22 0.00 -0.00 0.00 0.00 175.22 173.60 3hw1 s ALA 39 N 3.49 2.06 -0.01 11.12 0.00 -0.64 -1.85 121.76 135.93 3hw1 s ALA 39 Ca 0.20 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.31 3hw1 s ALA 39 Cb -0.18 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3hw1 s ALA 39 CO 0.11 0.24 -0.18 0.14 0.00 0.00 0.00 175.76 176.07 3hw1 s VAL 40 N 0.43 1.46 -0.02 0.00 -7.23 -0.37 0.67 120.40 115.34 3hw1 s VAL 40 Ca -0.17 -0.81 -0.37 0.00 -1.81 0.00 0.00 61.98 58.82 3hw1 s VAL 40 Cb -0.18 -1.22 -0.15 0.00 0.56 0.00 0.00 36.38 35.40 3hw1 s VAL 40 CO 0.07 0.40 1.56 0.61 -0.31 0.00 0.00 175.10 177.43 3hw1 n GLY 41 N 2.59 0.81 0.36 2.32 0.00 -0.45 -0.86 105.19 109.96 3hw1 n GLY 41 Ca -0.15 0.77 0.06 0.00 0.00 0.00 0.00 46.02 46.71 3hw1 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw1 n ALA 42 N 3.96 2.41 -3.49 4.61 0.00 0.27 -0.43 120.51 127.84 3hw1 n ALA 42 Ca 0.21 -2.30 -0.16 0.00 0.00 0.00 0.00 53.44 51.19 3hw1 n ALA 42 Cb 0.20 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 3hw1 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hw1 s ALA 43 N -2.00 -1.72 0.69 0.00 0.00 -1.22 -4.75 121.76 112.76 3hw1 s ALA 43 Ca 0.25 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 3hw1 s ALA 43 Cb 0.23 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3hw1 s ALA 43 CO -0.01 -0.51 0.99 -2.30 0.00 0.00 0.00 175.76 173.94 3hw1 n PRO 44 N 0.44 0.63 -3.60 0.00 -0.02 -1.26 -4.91 135.00 126.28 3hw1 n PRO 44 Ca -0.18 0.27 -0.15 0.00 -2.02 0.00 0.00 63.50 61.42 3hw1 n PRO 44 Cb 0.60 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 3hw1 n PRO 44 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hw1 s HIS 45 N -1.72 -0.74 0.42 6.00 2.46 -1.26 -5.02 115.29 115.44 3hw1 s HIS 45 Ca 0.75 1.65 0.16 0.00 0.47 0.00 0.00 55.06 58.08 3hw1 s HIS 45 Cb -0.36 0.31 1.04 0.00 -0.13 0.00 0.00 32.58 33.44 3hw1 s HIS 45 CO 0.49 -0.45 1.90 -1.35 -2.47 0.00 0.00 174.74 172.86 3hw1 h PRO 46 N 4.38 0.42 0.00 2.88 0.11 -2.04 -1.96 132.00 135.79 3hw1 h PRO 46 Ca -0.28 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.61 3hw1 h PRO 46 Cb 1.15 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3hw1 h PRO 46 CO 0.16 0.28 -1.09 0.74 -0.21 0.00 0.00 178.00 177.89 3hw1 h PHE 47 N 0.44 0.00 -3.37 0.65 0.05 -1.96 -3.45 116.94 109.30 3hw1 h PHE 47 Ca 0.40 0.00 -0.58 0.00 3.82 0.00 0.00 57.97 61.61 3hw1 h PHE 47 Cb 0.90 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.78 3hw1 h PHE 47 CO -0.00 0.79 0.15 -0.51 -0.18 0.00 0.00 178.31 178.56 3hw1 s LEU 48 N -6.34 4.22 0.00 1.54 1.43 -0.74 -4.67 118.68 114.13 3hw1 s LEU 48 Ca -0.00 1.05 0.24 0.00 -1.03 0.00 0.00 54.13 54.38 3hw1 s LEU 48 Cb 0.09 -3.03 0.25 0.00 0.03 0.00 0.00 46.19 43.53 3hw1 s LEU 48 CO 0.80 -0.23 1.24 1.41 0.23 0.00 0.00 176.35 179.80 3hw1 n HIS 49 N 4.52 0.00 -3.61 0.29 8.25 -1.26 -4.34 115.22 119.07 3hw1 n HIS 49 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3hw1 n HIS 49 Cb 0.50 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 3hw1 n HIS 49 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3hw1 s ARG 50 N -2.90 1.30 0.25 -0.41 1.70 -1.26 -5.14 118.95 112.48 3hw1 s ARG 50 Ca 0.12 -0.70 -0.18 0.00 -0.47 0.00 0.00 55.73 54.50 3hw1 s ARG 50 Cb 0.17 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 35.11 3hw1 s ARG 50 CO 0.72 -0.55 0.61 1.52 -1.08 0.00 0.00 175.30 176.52 3hw1 s TYR 51 N -3.82 -0.06 -0.21 5.89 -0.85 -1.26 -4.92 117.35 112.12 3hw1 s TYR 51 Ca 0.05 -0.34 -0.29 0.00 -0.52 0.00 0.00 57.07 55.97 3hw1 s TYR 51 Cb -0.01 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.84 3hw1 s TYR 51 CO -0.08 -1.08 1.15 -0.47 -1.52 0.00 0.00 175.55 173.54 3hw1 s TYR 52 N -3.92 3.09 -0.67 -3.49 5.04 0.43 -4.95 117.35 112.88 3hw1 s TYR 52 Ca 0.13 1.24 -0.08 0.00 -2.44 0.00 0.00 57.07 55.91 3hw1 s TYR 52 Cb -0.03 -3.41 0.17 0.00 0.35 0.00 0.00 41.96 39.04 3hw1 s TYR 52 CO 0.04 -1.07 0.54 -0.65 -1.34 0.00 0.00 175.55 173.08 3hw1 s GLN 53 N 3.38 2.92 0.23 4.97 -0.21 -1.26 -4.39 119.66 125.30 3hw1 s GLN 53 Ca 0.49 -2.37 -0.07 0.00 0.02 0.00 0.00 55.36 53.44 3hw1 s GLN 53 Cb -0.18 -4.02 0.38 0.00 1.00 0.00 0.00 33.01 30.19 3hw1 s GLN 53 CO 0.11 -1.22 1.73 0.00 -2.12 0.00 0.00 175.29 173.78 3hw1 h ARG 54 N 7.56 0.39 -0.09 2.91 3.08 -1.94 -1.63 114.38 124.66 3hw1 h ARG 54 Ca -0.01 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3hw1 h ARG 54 Cb 1.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3hw1 h ARG 54 CO 0.76 0.26 0.20 -0.56 -1.07 0.00 0.00 179.97 179.55 3hw1 h GLN 55 N 0.40 0.00 -0.49 0.04 -0.00 -2.00 -0.28 115.11 112.78 3hw1 h GLN 55 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.02 3hw1 h GLN 55 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 3hw1 h GLN 55 CO -0.38 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 179.73 3hw1 n LEU 56 N -3.33 3.19 -4.40 0.06 4.77 -0.61 -4.89 117.00 111.78 3hw1 n LEU 56 Ca -0.00 -1.49 -0.35 0.00 -0.03 0.00 0.00 56.01 54.13 3hw1 n LEU 56 Cb 0.29 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 3hw1 n LEU 56 CO 0.21 0.74 -0.34 -0.55 -1.33 0.00 0.00 177.39 176.12 3hw1 s SER 57 N -1.25 4.69 0.54 -1.43 0.15 -0.12 -4.28 113.70 112.01 3hw1 s SER 57 Ca 0.40 -0.27 0.34 0.00 0.70 0.00 0.00 55.95 57.12 3hw1 s SER 57 Cb 0.22 -1.81 1.43 0.00 -1.71 0.00 0.00 66.02 64.15 3hw1 s SER 57 CO 0.29 0.02 2.00 0.77 1.20 0.00 0.00 173.24 177.52 3hw1 h SER 58 N 7.83 0.00 -0.01 5.45 4.64 -0.65 -3.13 113.55 127.69 3hw1 h SER 58 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3hw1 h SER 58 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hw1 h SER 58 CO 0.60 0.00 -0.39 0.35 -0.87 0.00 0.00 176.83 176.52 3hw1 n THR 59 N -3.03 0.00 -1.69 2.95 -2.24 -1.26 -4.99 114.28 104.02 3hw1 n THR 59 Ca 0.00 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 3hw1 n THR 59 Cb 0.28 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 3hw1 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hw1 n TYR 60 N -0.43 2.21 -4.32 4.78 9.36 -1.19 -4.56 117.16 123.02 3hw1 n TYR 60 Ca 0.05 0.54 -0.18 0.00 3.32 0.00 0.00 57.90 61.63 3hw1 n TYR 60 Cb 0.29 -2.41 -0.15 0.00 -0.63 0.00 0.00 39.34 36.43 3hw1 n TYR 60 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3hw1 s ARG 61 N -1.62 0.67 -0.15 2.98 0.52 0.19 -4.99 118.95 116.55 3hw1 s ARG 61 Ca 0.58 -0.28 -0.19 0.00 -0.52 0.00 0.00 55.73 55.31 3hw1 s ARG 61 Cb -0.59 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.20 3hw1 s ARG 61 CO 0.60 0.16 0.51 0.34 0.02 0.00 0.00 175.30 176.94 3hw1 s ASP 62 N -0.14 6.65 0.00 0.23 2.15 -1.26 -0.41 116.67 123.89 3hw1 s ASP 62 Ca 0.02 0.78 0.29 0.00 0.43 0.00 0.00 52.55 54.08 3hw1 s ASP 62 Cb -0.04 -2.30 1.27 0.00 -0.30 0.00 0.00 42.92 41.55 3hw1 s ASP 62 CO -0.00 -0.09 1.90 0.18 -0.17 0.00 0.00 175.17 176.99 3hw1 n LEU 63 N 4.18 0.21 -3.69 -1.34 4.77 -0.61 -4.94 117.00 115.58 3hw1 n LEU 63 Ca -0.06 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 3hw1 n LEU 63 Cb 0.51 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3hw1 n LEU 63 CO 0.43 0.04 0.01 0.54 -1.33 0.00 0.00 177.39 177.08 3hw1 n ARG 64 N -1.23 -5.44 -3.74 3.23 1.74 -1.25 -4.98 116.66 104.99 3hw1 n ARG 64 Ca 0.12 0.66 -0.13 0.00 -0.77 0.00 0.00 57.85 57.73 3hw1 n ARG 64 Cb 0.28 -5.37 -0.10 0.00 -1.02 0.00 0.00 32.46 26.25 3hw1 n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hw1 s LYS 65 N -6.02 0.50 0.21 5.56 2.20 -1.26 -5.06 119.74 115.88 3hw1 s LYS 65 Ca 0.15 0.35 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 3hw1 s LYS 65 Cb -0.07 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 3hw1 s LYS 65 CO 0.80 -0.09 0.36 0.20 -0.36 0.00 0.00 175.35 176.26 3hw1 s GLY 66 N -0.18 1.51 -0.04 5.54 0.00 -1.26 -0.39 107.32 112.50 3hw1 s GLY 66 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.66 3hw1 s GLY 66 CO 0.02 -1.04 -0.08 0.54 0.00 0.00 0.00 173.10 172.54 3hw1 s VAL 67 N -1.91 0.78 -0.23 1.40 0.11 -0.65 -4.86 120.40 115.04 3hw1 s VAL 67 Ca 0.36 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 3hw1 s VAL 67 Cb -0.10 -0.74 0.05 0.00 -1.53 0.00 0.00 36.38 34.06 3hw1 s VAL 67 CO 0.30 0.27 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.75 3hw1 s TYR 68 N 0.62 2.86 -0.55 1.54 5.04 -1.26 -1.31 117.35 124.29 3hw1 s TYR 68 Ca -0.10 -1.97 0.04 0.00 -2.44 0.00 0.00 57.07 52.60 3hw1 s TYR 68 Cb -0.13 -1.80 0.14 0.00 0.35 0.00 0.00 41.96 40.52 3hw1 s TYR 68 CO 0.01 -0.82 0.30 0.08 -1.34 0.00 0.00 175.55 173.78 3hw1 s VAL 69 N 1.24 2.68 0.13 3.14 1.01 -0.04 -4.96 120.40 123.61 3hw1 s VAL 69 Ca -0.05 -3.43 -0.20 0.00 0.00 0.00 0.00 61.98 58.30 3hw1 s VAL 69 Cb -0.18 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 3hw1 s VAL 69 CO -0.07 -0.83 0.65 -2.16 0.00 0.00 0.00 175.10 172.69 3hw1 s PRO 70 N -0.43 4.28 0.07 2.72 0.04 -1.26 -1.13 135.00 139.29 3hw1 s PRO 70 Ca 0.18 0.84 0.01 0.00 0.04 0.00 0.00 61.00 62.07 3hw1 s PRO 70 Cb -0.23 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 3hw1 s PRO 70 CO -0.02 0.56 -0.05 1.52 0.04 0.00 0.00 177.00 179.05 3hw1 s TYR 71 N -1.24 0.72 -1.33 0.56 1.13 -1.08 -4.98 117.35 111.12 3hw1 s TYR 71 Ca 0.34 -0.92 0.09 0.00 -1.41 0.00 0.00 57.07 55.17 3hw1 s TYR 71 Cb -0.19 -0.45 0.42 0.00 -1.10 0.00 0.00 41.96 40.64 3hw1 s TYR 71 CO 0.21 -0.23 1.18 0.25 -2.51 0.00 0.00 175.55 174.45 3hw1 n THR 72 N 0.21 0.95 0.28 -3.49 -2.24 -1.26 -1.25 114.28 107.47 3hw1 n THR 72 Ca -0.14 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 3hw1 n THR 72 Cb 0.60 -1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 67.59 3hw1 n THR 72 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hw1 n GLN 73 N -1.33 0.56 0.00 -0.78 7.27 -1.26 -5.09 117.38 116.74 3hw1 n GLN 73 Ca 0.04 -0.13 0.00 0.00 0.07 0.00 0.00 57.00 56.98 3hw1 n GLN 73 Cb 0.08 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.25 3hw1 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hw1 n GLY 74 N 1.37 0.94 3.65 1.69 0.00 -0.38 -4.85 105.19 107.61 3hw1 n GLY 74 Ca -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3hw1 n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hw1 s LYS 75 N 4.57 0.10 0.02 1.61 2.20 -0.58 -2.64 119.74 125.02 3hw1 s LYS 75 Ca 0.00 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 3hw1 s LYS 75 Cb 0.00 0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 3hw1 s LYS 75 CO 0.00 -0.02 -0.04 1.67 -0.36 0.00 0.00 175.35 176.61 3hw1 s TRP 76 N -0.10 0.33 0.05 4.03 1.48 -0.28 0.15 118.94 124.61 3hw1 s TRP 76 Ca 0.07 -0.34 0.04 0.00 -1.06 0.00 0.00 56.10 54.81 3hw1 s TRP 76 Cb -0.04 -0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 32.03 3hw1 s TRP 76 CO -0.14 -0.10 -0.13 -2.00 -4.06 0.00 0.00 176.95 170.53 3hw1 s GLU 77 N -0.98 0.79 0.30 3.25 2.12 0.89 -0.86 118.70 124.21 3hw1 s GLU 77 Ca -0.08 -0.82 -0.12 0.00 0.36 0.00 0.00 54.97 54.31 3hw1 s GLU 77 Cb -0.07 -0.75 0.05 0.00 0.26 0.00 0.00 34.13 33.62 3hw1 s GLU 77 CO -0.00 0.17 0.64 0.41 -0.54 0.00 0.00 175.26 175.94 3hw1 n GLY 78 N 1.60 1.16 3.36 -1.50 0.00 -0.43 -2.01 105.19 107.37 3hw1 n GLY 78 Ca -0.20 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3hw1 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw1 s GLU 79 N -2.07 2.83 0.22 1.61 2.02 0.82 -1.63 118.70 122.50 3hw1 s GLU 79 Ca 0.13 -0.77 -0.23 0.00 0.02 0.00 0.00 54.97 54.12 3hw1 s GLU 79 Cb -0.04 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 3hw1 s GLU 79 CO 0.09 0.39 0.78 -0.51 0.02 0.00 0.00 175.26 176.03 3hw1 s LEU 80 N -0.15 4.44 0.00 1.80 1.43 0.48 -0.05 118.68 126.64 3hw1 s LEU 80 Ca -0.02 1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.52 3hw1 s LEU 80 Cb -0.14 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.60 3hw1 s LEU 80 CO 0.04 0.09 0.68 0.61 0.23 0.00 0.00 176.35 178.00 3hw1 n GLY 81 N 1.04 1.03 3.31 -3.19 0.00 -0.29 -1.58 105.19 105.51 3hw1 n GLY 81 Ca -0.03 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 3hw1 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hw1 s THR 82 N -2.25 1.55 0.19 2.61 -4.23 0.45 -0.16 115.64 113.80 3hw1 s THR 82 Ca 0.14 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.29 3hw1 s THR 82 Cb -0.03 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.91 3hw1 s THR 82 CO 0.07 -0.62 0.80 -0.62 -0.54 0.00 0.00 174.62 173.71 3hw1 s ASP 83 N -3.20 -0.28 0.36 3.99 -1.08 -1.03 -0.64 116.67 114.79 3hw1 s ASP 83 Ca 0.20 -0.40 -0.26 0.00 -0.52 0.00 0.00 52.55 51.56 3hw1 s ASP 83 Cb -0.00 0.60 -0.09 0.00 -1.46 0.00 0.00 42.92 41.97 3hw1 s ASP 83 CO 0.05 -1.08 1.14 -0.76 0.52 0.00 0.00 175.17 175.04 3hw1 s LEU 84 N -2.87 4.30 -0.01 -1.34 1.43 -1.26 -1.86 118.68 117.07 3hw1 s LEU 84 Ca 0.10 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.51 3hw1 s LEU 84 Cb -0.03 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.29 3hw1 s LEU 84 CO 0.01 -0.49 -0.02 -0.69 0.23 0.00 0.00 176.35 175.40 3hw1 s VAL 85 N -1.36 0.19 0.24 -1.59 1.01 0.41 -1.43 120.40 117.87 3hw1 s VAL 85 Ca 0.53 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3hw1 s VAL 85 Cb -0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3hw1 s VAL 85 CO 0.39 0.09 0.05 -0.44 0.00 0.00 0.00 175.10 175.18 3hw1 s SER 86 N 0.34 1.46 -0.33 3.32 0.01 -0.37 -1.08 113.70 117.05 3hw1 s SER 86 Ca -0.03 -1.29 0.01 0.00 1.31 0.00 0.00 55.95 55.95 3hw1 s SER 86 Cb -0.06 0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.37 3hw1 s SER 86 CO -0.01 -0.63 0.09 -0.63 0.41 0.00 0.00 173.24 172.47 3hw1 s ILE 87 N -3.61 1.39 0.22 1.44 1.01 -1.26 -1.88 121.20 118.50 3hw1 s ILE 87 Ca 0.32 -1.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.07 3hw1 s ILE 87 Cb 0.07 -2.04 0.24 0.00 0.01 0.00 0.00 42.46 40.74 3hw1 s ILE 87 CO 0.10 -0.66 1.63 -0.65 0.00 0.00 0.00 174.94 175.37 3hw1 h PRO 88 N 7.86 0.03 -3.02 2.79 0.11 -1.92 -0.90 132.00 136.96 3hw1 h PRO 88 Ca -0.10 -0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.23 3hw1 h PRO 88 Cb 1.01 -0.01 -0.22 0.00 0.11 0.00 0.00 31.00 31.90 3hw1 h PRO 88 CO 0.49 0.02 1.43 0.72 -0.21 0.00 0.00 178.00 180.45 3hw1 n HIS 89 N -5.39 2.56 -1.69 0.65 8.25 -1.26 -4.88 115.22 113.46 3hw1 n HIS 89 Ca 0.09 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.88 3hw1 n HIS 89 Cb 0.35 -1.55 0.00 0.00 1.12 0.00 0.00 29.99 29.91 3hw1 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hw1 n GLY 90 N 1.74 3.90 3.86 -1.41 0.00 -0.34 -4.53 105.19 108.41 3hw1 n GLY 90 Ca 0.37 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3hw1 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hw1 s PRO 91 N 1.62 3.78 -1.08 1.61 0.05 -1.26 -4.73 135.00 134.99 3hw1 s PRO 91 Ca 0.00 0.72 -0.09 0.00 0.05 0.00 0.00 61.00 61.69 3hw1 s PRO 91 Cb 0.00 -2.20 -0.14 0.00 0.05 0.00 0.00 34.50 32.21 3hw1 s PRO 91 CO 0.00 -0.30 3.17 -1.71 0.05 0.00 0.00 177.00 178.21 3hw1 n ASN 92 N -1.92 7.59 -3.97 6.66 5.15 -1.26 -4.69 115.26 122.81 3hw1 n ASN 92 Ca 0.05 -2.56 -0.09 0.00 -0.60 0.00 0.00 54.58 51.38 3hw1 n ASN 92 Cb 0.54 -1.51 -0.10 0.00 -0.53 0.00 0.00 39.78 38.19 3hw1 n ASN 92 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3hw1 s VAL 93 N 1.65 0.15 -0.11 3.44 -7.23 -1.26 -5.15 120.40 111.89 3hw1 s VAL 93 Ca 0.68 -1.25 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 3hw1 s VAL 93 Cb 0.23 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 36.21 3hw1 s VAL 93 CO -0.04 -0.69 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.03 3hw1 s THR 94 N -2.83 1.38 -0.08 5.32 2.01 -1.26 -4.48 115.64 115.70 3hw1 s THR 94 Ca -0.03 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.46 3hw1 s THR 94 Cb 0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3hw1 s THR 94 CO -0.06 0.42 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 3hw1 s VAL 95 N 1.15 2.18 -0.24 3.82 1.01 -0.24 -4.90 120.40 123.18 3hw1 s VAL 95 Ca -0.04 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 3hw1 s VAL 95 Cb -0.14 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3hw1 s VAL 95 CO -0.03 0.56 1.12 -0.60 0.00 0.00 0.00 175.10 176.15 3hw1 s ARG 96 N 0.01 4.19 0.16 2.72 3.52 -1.26 -0.44 118.95 127.84 3hw1 s ARG 96 Ca -0.08 1.37 0.09 0.00 -0.13 0.00 0.00 55.73 56.98 3hw1 s ARG 96 Cb -0.15 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3hw1 s ARG 96 CO 0.05 -0.73 -0.20 0.00 -0.81 0.00 0.00 175.30 173.61 3hw1 s ALA 97 N 3.44 2.06 0.37 6.12 0.00 -0.78 -4.88 121.76 128.08 3hw1 s ALA 97 Ca 0.48 -1.47 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 3hw1 s ALA 97 Cb -0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.64 3hw1 s ALA 97 CO 0.11 0.29 1.30 -0.80 0.00 0.00 0.00 175.76 176.66 3hw1 s ASN 98 N -2.53 6.56 -0.11 0.00 0.01 -1.26 -2.47 114.94 115.14 3hw1 s ASN 98 Ca 0.15 2.66 -0.05 0.00 -0.71 0.00 0.00 52.86 54.91 3hw1 s ASN 98 Cb -0.07 -2.64 0.05 0.00 0.41 0.00 0.00 41.25 39.00 3hw1 s ASN 98 CO 0.07 -0.68 0.24 -0.63 -1.51 0.00 0.00 177.10 174.59 3hw1 s ILE 99 N -1.21 -0.20 -0.39 0.60 1.01 0.78 -4.64 121.20 117.14 3hw1 s ILE 99 Ca 0.53 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 61.21 3hw1 s ILE 99 Cb -0.39 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.70 3hw1 s ILE 99 CO 0.51 0.09 0.52 0.00 0.00 0.00 0.00 174.94 176.06 3hw1 s ALA 100 N 1.79 3.43 -0.45 9.38 0.00 -0.77 -1.14 121.76 133.98 3hw1 s ALA 100 Ca -0.04 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 3hw1 s ALA 100 Cb -0.11 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.93 3hw1 s ALA 100 CO -0.08 -1.48 0.95 0.00 0.00 0.00 0.00 175.76 175.15 3hw1 s ALA 101 N 2.43 3.24 -0.31 0.00 0.00 0.93 -1.24 121.76 126.81 3hw1 s ALA 101 Ca 0.18 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 3hw1 s ALA 101 Cb -0.16 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3hw1 s ALA 101 CO 0.15 -2.03 1.29 0.42 0.00 0.00 0.00 175.76 175.59 3hw1 s ILE 102 N 3.80 4.15 -0.42 0.00 1.01 -0.04 -0.13 121.20 129.56 3hw1 s ILE 102 Ca 0.38 1.29 0.17 0.00 0.00 0.00 0.00 60.65 62.49 3hw1 s ILE 102 Cb -0.10 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 3hw1 s ILE 102 CO 0.26 -0.51 0.55 0.35 0.00 0.00 0.00 174.94 175.59 3hw1 n THR 103 N 6.26 0.00 -3.62 2.92 -2.24 -0.85 -0.57 114.28 116.18 3hw1 n THR 103 Ca 0.15 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 3hw1 n THR 103 Cb 0.47 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 3hw1 n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hw1 s GLU 104 N -2.86 0.85 0.20 -0.78 2.12 -1.13 -4.88 118.70 112.22 3hw1 s GLU 104 Ca 0.00 0.66 -0.23 0.00 0.36 0.00 0.00 54.97 55.76 3hw1 s GLU 104 Cb 0.12 0.41 0.05 0.00 0.26 0.00 0.00 34.13 34.96 3hw1 s GLU 104 CO 0.69 -0.17 0.72 -1.54 -0.54 0.00 0.00 175.26 174.42 3hw1 s SER 105 N -0.20 -0.37 -0.05 -1.70 1.04 -1.26 -0.08 113.70 111.08 3hw1 s SER 105 Ca -0.04 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 3hw1 s SER 105 Cb -0.03 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.75 3hw1 s SER 105 CO 0.04 -1.11 0.05 -0.62 0.98 0.00 0.00 173.24 172.57 3hw1 s ASP 106 N -2.83 1.28 -1.29 7.02 2.15 0.40 -4.88 116.67 118.52 3hw1 s ASP 106 Ca 0.07 0.02 -0.26 0.00 0.43 0.00 0.00 52.55 52.82 3hw1 s ASP 106 Cb -0.03 -0.22 0.03 0.00 -0.30 0.00 0.00 42.92 42.40 3hw1 s ASP 106 CO -0.02 -0.24 0.53 0.29 -0.17 0.00 0.00 175.17 175.56 3hw1 n LYS 107 N 5.26 -0.52 0.04 4.34 5.02 -1.26 -1.52 118.16 129.52 3hw1 n LYS 107 Ca -0.04 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3hw1 n LYS 107 Cb 0.50 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 3hw1 n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hw1 n PHE 108 N -4.91 -0.04 -2.49 2.13 7.35 -1.26 -4.59 117.46 113.65 3hw1 n PHE 108 Ca -0.16 0.01 -0.34 0.00 -0.76 0.00 0.00 57.45 56.19 3hw1 n PHE 108 Cb 0.60 0.01 -0.03 0.00 0.35 0.00 0.00 39.48 40.41 3hw1 n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3hw1 s PHE 109 N -2.00 2.96 -0.09 -5.13 0.40 -1.26 -5.04 117.98 107.81 3hw1 s PHE 109 Ca 0.00 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 57.93 3hw1 s PHE 109 Cb 0.00 -3.12 0.01 0.00 0.51 0.00 0.00 43.02 40.42 3hw1 s PHE 109 CO 0.00 -0.96 -0.18 0.42 0.70 0.00 0.00 175.22 175.19 3hw1 s ILE 110 N -1.91 1.66 -0.17 0.64 1.01 -1.26 -5.05 121.20 116.13 3hw1 s ILE 110 Ca 0.67 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 3hw1 s ILE 110 Cb -0.18 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3hw1 s ILE 110 CO 0.22 0.47 1.81 0.21 0.00 0.00 0.00 174.94 177.66 3hw1 s ASN 111 N 0.61 6.19 0.00 3.58 2.47 -1.26 -2.21 114.94 124.32 3hw1 s ASN 111 Ca -0.14 1.88 0.00 0.00 0.42 0.00 0.00 52.86 55.02 3hw1 s ASN 111 Cb -0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3hw1 s ASN 111 CO 0.04 -1.37 0.00 0.61 -3.72 0.00 0.00 177.10 172.66 3hw1 n GLY 112 N 4.88 0.59 0.15 1.21 0.00 -1.26 -4.97 105.19 105.79 3hw1 n GLY 112 Ca 0.21 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.48 3hw1 n GLY 112 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hw1 h SER 113 N 0.00 0.00 -0.11 1.61 4.64 -1.81 -3.47 113.55 114.42 3hw1 h SER 113 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3hw1 h SER 113 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3hw1 h SER 113 CO 0.00 0.41 -0.04 -3.20 -0.87 0.00 0.00 176.83 173.12 3hw1 n ASN 114 N -3.19 -4.56 -4.54 4.97 5.15 -1.26 -4.47 115.26 107.35 3hw1 n ASN 114 Ca 0.02 0.05 -0.25 0.00 -0.60 0.00 0.00 54.58 53.80 3hw1 n ASN 114 Cb 0.70 -2.26 -0.09 0.00 -0.53 0.00 0.00 39.78 37.60 3hw1 n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3hw1 s TRP 115 N -1.65 2.52 0.00 1.20 1.48 -1.26 -4.68 118.94 116.55 3hw1 s TRP 115 Ca 0.00 -0.27 0.00 0.00 -1.06 0.00 0.00 56.10 54.77 3hw1 s TRP 115 Cb 0.00 -1.18 0.00 0.00 -1.16 0.00 0.00 33.47 31.13 3hw1 s TRP 115 CO 0.00 0.58 0.63 0.39 -4.06 0.00 0.00 176.95 174.48 3hw1 n GLU 116 N -0.29 0.98 -2.29 3.25 4.71 0.79 -4.91 120.64 122.89 3hw1 n GLU 116 Ca -0.09 -0.82 -0.00 0.00 -0.01 0.00 0.00 57.16 56.24 3hw1 n GLU 116 Cb 0.57 -0.78 0.01 0.00 -1.01 0.00 0.00 31.44 30.22 3hw1 n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hw1 n GLY 117 N -0.19 0.88 2.82 0.62 0.00 -1.20 -1.33 105.19 106.78 3hw1 n GLY 117 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 3hw1 n GLY 117 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hw1 s ILE 118 N -2.31 0.30 -0.59 -0.61 2.07 0.21 -0.95 121.20 119.33 3hw1 s ILE 118 Ca 0.08 0.05 -0.18 0.00 -1.41 0.00 0.00 60.65 59.19 3hw1 s ILE 118 Cb -0.01 -0.39 0.11 0.00 0.13 0.00 0.00 42.46 42.30 3hw1 s ILE 118 CO 0.01 0.19 0.67 -0.22 -1.91 0.00 0.00 174.94 173.68 3hw1 s LEU 119 N 1.22 5.53 -0.36 8.50 2.96 0.35 -1.62 118.68 135.26 3hw1 s LEU 119 Ca -0.07 -1.50 -0.26 0.00 -0.22 0.00 0.00 54.13 52.08 3hw1 s LEU 119 Cb -0.13 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.28 3hw1 s LEU 119 CO -0.02 -1.07 0.96 -0.83 -1.32 0.00 0.00 176.35 174.06 3hw1 s GLY 120 N 3.63 1.57 0.00 7.98 0.00 -0.46 -0.91 107.32 119.12 3hw1 s GLY 120 Ca 0.10 -0.37 0.24 0.00 0.00 0.00 0.00 44.72 44.69 3hw1 s GLY 120 CO 0.06 2.06 1.31 1.04 0.00 0.00 0.00 173.10 177.57 3hw1 n LEU 121 N 6.80 3.14 -4.81 0.66 4.77 0.19 -4.12 117.00 123.64 3hw1 n LEU 121 Ca 0.08 -1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 54.62 3hw1 n LEU 121 Cb 0.48 -0.08 0.19 0.00 -2.33 0.00 0.00 43.42 41.68 3hw1 n LEU 121 CO 0.58 0.57 0.77 0.00 -1.33 0.00 0.00 177.39 177.99 3hw1 s ALA 122 N -1.85 1.71 0.73 -1.18 0.00 0.15 -4.95 121.76 116.36 3hw1 s ALA 122 Ca 0.31 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3hw1 s ALA 122 Cb 0.21 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.49 3hw1 s ALA 122 CO 0.31 -2.70 1.07 0.71 0.00 0.00 0.00 175.76 175.15 3hw1 s TYR 123 N -3.51 3.08 0.58 0.00 1.51 -0.86 -4.51 117.35 113.63 3hw1 s TYR 123 Ca 0.71 1.27 0.27 0.00 -1.01 0.00 0.00 57.07 58.31 3hw1 s TYR 123 Cb -0.08 -2.97 1.69 0.00 -0.11 0.00 0.00 41.96 40.50 3hw1 s TYR 123 CO 0.54 -1.37 2.22 0.00 -1.11 0.00 0.00 175.55 175.82 3hw1 h ALA 124 N -0.81 1.67 -0.82 3.71 0.00 -1.86 -2.97 119.26 118.18 3hw1 h ALA 124 Ca -0.45 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.57 3hw1 h ALA 124 Cb 1.23 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3hw1 h ALA 124 CO 0.59 -0.04 0.54 1.49 0.00 0.00 0.00 179.25 181.82 3hw1 h GLU 125 N 0.00 0.67 -0.74 0.00 4.81 -1.88 -1.57 114.58 115.88 3hw1 h GLU 125 Ca 0.01 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 58.97 3hw1 h GLU 125 Cb 0.07 -0.15 -0.14 0.00 0.63 0.00 0.00 28.75 29.16 3hw1 h GLU 125 CO -0.00 0.44 0.28 0.44 -0.73 0.00 0.00 179.01 179.44 3hw1 n ILE 126 N -4.52 2.94 -3.12 2.32 -5.35 -1.12 -4.62 119.36 105.88 3hw1 n ILE 126 Ca 0.15 -1.70 -0.39 0.00 -0.27 0.00 0.00 62.75 60.53 3hw1 n ILE 126 Cb 0.39 -0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 3hw1 n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hw1 s ALA 127 N -3.03 3.48 -0.00 -1.28 0.00 -0.59 -4.47 121.76 115.88 3hw1 s ALA 127 Ca 0.55 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 3hw1 s ALA 127 Cb 0.44 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3hw1 s ALA 127 CO 0.13 0.25 0.37 1.03 0.00 0.00 0.00 175.76 177.53 3hw1 s ARG 128 N -0.67 3.82 0.32 0.00 1.81 -1.26 -2.00 118.95 120.98 3hw1 s ARG 128 Ca 0.33 0.29 0.17 0.00 -1.72 0.00 0.00 55.73 54.80 3hw1 s ARG 128 Cb -0.20 -3.18 0.40 0.00 -0.45 0.00 0.00 34.95 31.52 3hw1 s ARG 128 CO 0.21 0.68 1.60 -1.35 -0.68 0.00 0.00 175.30 175.76 3hw1 h PRO 129 N 4.55 0.00 0.00 3.54 0.11 -1.93 -3.48 132.00 134.80 3hw1 h PRO 129 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hw1 h PRO 129 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hw1 h PRO 129 CO 0.62 0.47 0.10 -0.40 -0.21 0.00 0.00 178.00 178.57 3hw1 n ASP 130 N -3.41 -0.73 -0.52 -2.05 5.75 -0.84 -5.06 116.55 109.68 3hw1 n ASP 130 Ca 0.01 -1.50 0.03 0.00 -0.01 0.00 0.00 54.79 53.31 3hw1 n ASP 130 Cb 0.62 1.22 0.09 0.00 -1.03 0.00 0.00 41.12 42.02 3hw1 n ASP 130 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hw1 n ASP 131 N -1.15 1.42 0.16 -1.12 5.75 -1.25 -2.94 116.55 117.41 3hw1 n ASP 131 Ca -0.03 -2.08 0.08 0.00 -0.01 0.00 0.00 54.79 52.75 3hw1 n ASP 131 Cb 0.19 -0.27 0.07 0.00 -1.03 0.00 0.00 41.12 40.08 3hw1 n ASP 131 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3hw1 h SER 132 N 1.07 0.00 -2.47 -1.12 4.64 -1.91 -3.45 113.55 110.32 3hw1 h SER 132 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3hw1 h SER 132 Cb 0.47 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.45 3hw1 h SER 132 CO 0.04 0.20 0.87 -0.22 -0.87 0.00 0.00 176.83 176.85 3hw1 s LEU 133 N -6.07 3.62 0.02 5.97 2.96 -1.15 -4.98 118.68 119.05 3hw1 s LEU 133 Ca 0.04 -0.66 -0.34 0.00 -0.22 0.00 0.00 54.13 52.95 3hw1 s LEU 133 Cb 0.07 -2.51 -0.12 0.00 0.50 0.00 0.00 46.19 44.13 3hw1 s LEU 133 CO 0.73 -1.69 1.76 1.21 -1.32 0.00 0.00 176.35 177.04 3hw1 n GLU 134 N 8.75 2.22 -0.80 1.98 2.13 -1.26 -4.94 120.64 128.74 3hw1 n GLU 134 Ca 0.01 0.81 -0.30 0.00 0.66 0.00 0.00 57.16 58.33 3hw1 n GLU 134 Cb 0.48 -2.63 0.17 0.00 0.27 0.00 0.00 31.44 29.72 3hw1 n GLU 134 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3hw1 s PRO 135 N 2.78 0.90 0.09 5.31 0.02 -1.26 -4.58 135.00 138.25 3hw1 s PRO 135 Ca 0.87 1.32 -0.34 0.00 0.02 0.00 0.00 61.00 62.86 3hw1 s PRO 135 Cb -0.67 -1.73 -0.16 0.00 0.02 0.00 0.00 34.50 31.96 3hw1 s PRO 135 CO 0.45 -2.64 1.58 0.35 -0.33 0.00 0.00 177.00 176.42 3hw1 h PHE 136 N -1.86 -1.23 -0.83 6.54 3.57 -1.83 -2.41 116.94 118.88 3hw1 h PHE 136 Ca -0.47 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.18 3hw1 h PHE 136 Cb 1.27 0.47 -0.09 0.00 2.79 0.00 0.00 35.95 40.39 3hw1 h PHE 136 CO 0.47 -0.62 0.42 0.35 -2.23 0.00 0.00 178.31 176.69 3hw1 h PHE 137 N -0.95 0.73 -0.26 0.41 3.57 -1.92 -0.23 116.94 118.30 3hw1 h PHE 137 Ca -0.06 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3hw1 h PHE 137 Cb 0.82 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 3hw1 h PHE 137 CO -0.21 0.17 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.42 3hw1 h ASP 138 N 0.60 -0.57 -0.58 0.41 3.32 -1.86 -0.45 116.42 117.29 3hw1 h ASP 138 Ca 0.45 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.54 3hw1 h ASP 138 Cb 0.64 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3hw1 h ASP 138 CO -0.36 -0.21 0.04 0.28 -1.72 0.00 0.00 179.24 177.26 3hw1 h SER 139 N -0.16 1.00 -0.68 6.45 0.02 -0.80 -2.57 113.55 116.81 3hw1 h SER 139 Ca 0.14 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3hw1 h SER 139 Cb 0.38 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3hw1 h SER 139 CO -0.35 1.03 0.30 0.25 -1.14 0.00 0.00 176.83 176.92 3hw1 h LEU 140 N 0.95 0.90 0.61 5.07 5.85 -0.65 -1.37 115.31 126.67 3hw1 h LEU 140 Ca 0.18 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hw1 h LEU 140 Cb 0.50 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.30 3hw1 h LEU 140 CO 0.02 0.80 -0.29 0.58 -0.34 0.00 0.00 178.44 179.21 3hw1 h VAL 141 N 0.95 0.32 -0.74 1.05 2.07 -0.95 -2.60 116.25 116.34 3hw1 h VAL 141 Ca 0.23 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3hw1 h VAL 141 Cb 0.15 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3hw1 h VAL 141 CO -0.03 0.03 0.49 0.11 0.02 0.00 0.00 177.57 178.19 3hw1 h LYS 142 N -0.99 0.85 0.00 1.57 1.57 -1.43 -2.94 116.57 115.20 3hw1 h LYS 142 Ca -0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3hw1 h LYS 142 Cb 0.67 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hw1 h LYS 142 CO 0.14 0.56 -0.23 1.96 -0.57 0.00 0.00 179.45 181.31 3hw1 h GLN 143 N 0.88 0.00 0.00 3.15 4.20 -1.26 -3.47 115.11 118.60 3hw1 h GLN 143 Ca 0.30 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.90 3hw1 h GLN 143 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3hw1 h GLN 143 CO -0.09 0.00 -0.09 0.25 -0.67 0.00 0.00 178.83 178.23 3hw1 n THR 144 N -2.54 0.00 -1.20 -0.54 -2.24 -0.98 -5.05 114.28 101.73 3hw1 n THR 144 Ca 0.04 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 3hw1 n THR 144 Cb 0.48 0.13 0.23 0.00 -2.10 0.00 0.00 70.33 69.07 3hw1 n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hw1 n HIS 145 N -0.20 2.33 -2.56 4.78 8.25 -1.26 -4.86 115.22 121.70 3hw1 n HIS 145 Ca -0.02 -1.52 -0.42 0.00 -0.26 0.00 0.00 57.72 55.50 3hw1 n HIS 145 Cb 0.12 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.47 3hw1 n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hw1 s VAL 146 N -3.16 4.47 0.33 1.59 1.01 -1.26 -5.00 120.40 118.37 3hw1 s VAL 146 Ca 0.53 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.99 3hw1 s VAL 146 Cb 0.44 -4.13 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3hw1 s VAL 146 CO 0.09 0.09 1.30 -2.65 0.00 0.00 0.00 175.10 173.94 3hw1 n PRO 147 N 4.36 2.12 -2.12 2.72 -0.02 -1.26 -4.73 135.00 136.07 3hw1 n PRO 147 Ca 0.08 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 3hw1 n PRO 147 Cb 0.48 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3hw1 n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3hw1 n ASN 148 N 0.96 3.68 -3.65 2.55 5.15 -1.26 -4.25 115.26 118.44 3hw1 n ASN 148 Ca 0.06 -2.78 -0.01 0.00 -0.60 0.00 0.00 54.58 51.25 3hw1 n ASN 148 Cb 0.35 -1.67 -0.06 0.00 -0.53 0.00 0.00 39.78 37.87 3hw1 n ASN 148 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3hw1 s LEU 149 N 7.26 -0.27 0.18 1.20 0.20 -1.26 -1.92 118.68 124.06 3hw1 s LEU 149 Ca 0.61 0.45 0.01 0.00 0.69 0.00 0.00 54.13 55.89 3hw1 s LEU 149 Cb 0.03 1.42 -0.05 0.00 -0.43 0.00 0.00 46.19 47.16 3hw1 s LEU 149 CO 0.10 -0.07 0.03 0.72 -0.29 0.00 0.00 176.35 176.84 3hw1 s PHE 150 N 1.03 1.22 -0.01 5.38 -0.71 -1.03 -0.95 117.98 122.91 3hw1 s PHE 150 Ca -0.06 -1.09 0.01 0.00 -1.04 0.00 0.00 56.93 54.75 3hw1 s PHE 150 Cb -0.03 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 41.09 3hw1 s PHE 150 CO -0.12 -0.29 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.89 3hw1 s SER 151 N -3.18 0.50 -0.17 1.98 1.04 -0.69 0.18 113.70 113.36 3hw1 s SER 151 Ca 0.27 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 3hw1 s SER 151 Cb 0.07 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 3hw1 s SER 151 CO 0.06 0.02 -0.10 -0.76 0.98 0.00 0.00 173.24 173.44 3hw1 s LEU 152 N 0.12 2.75 -0.33 2.42 1.43 0.24 -1.29 118.68 124.02 3hw1 s LEU 152 Ca -0.01 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3hw1 s LEU 152 Cb -0.04 -1.65 0.10 0.00 0.03 0.00 0.00 46.19 44.62 3hw1 s LEU 152 CO -0.00 0.09 0.03 -1.58 0.23 0.00 0.00 176.35 175.12 3hw1 s GLN 153 N 0.83 1.54 -0.22 1.70 0.74 0.94 -1.73 119.66 123.46 3hw1 s GLN 153 Ca -0.03 -1.78 -0.09 0.00 0.05 0.00 0.00 55.36 53.50 3hw1 s GLN 153 Cb -0.15 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3hw1 s GLN 153 CO 0.01 -0.90 0.12 -0.51 -0.55 0.00 0.00 175.29 173.46 3hw1 s LEU 154 N 0.95 3.95 -0.12 3.68 1.43 -1.26 -0.03 118.68 127.28 3hw1 s LEU 154 Ca 0.09 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3hw1 s LEU 154 Cb -0.19 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3hw1 s LEU 154 CO -0.08 0.09 0.04 0.00 0.23 0.00 0.00 176.35 176.62 3hw1 n GLY 156 N 2.61 -0.85 0.00 0.00 0.00 -1.26 -4.03 105.19 101.65 3hw1 n GLY 156 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3hw1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw1 n ALA 157 N -3.00 0.00 0.00 4.61 0.00 -1.26 -4.60 120.51 116.26 3hw1 n ALA 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hw1 n ALA 157 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hw1 n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hw1 n ALA 168 N -3.00 0.00 -2.90 0.00 0.00 -1.26 -4.93 120.51 108.42 3hw1 n ALA 168 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3hw1 n ALA 168 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3hw1 n ALA 168 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hw1 s SER 169 N 0.00 4.41 0.28 0.00 0.15 -1.26 -0.64 113.70 116.64 3hw1 s SER 169 Ca 0.00 -0.19 0.11 0.00 0.70 0.00 0.00 55.95 56.56 3hw1 s SER 169 Cb 0.00 -1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 3hw1 s SER 169 CO 0.00 0.21 -0.08 0.68 1.20 0.00 0.00 173.24 175.25 3hw1 s VAL 170 N 0.07 2.96 0.33 4.45 -7.23 0.25 -4.92 120.40 116.31 3hw1 s VAL 170 Ca -0.03 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3hw1 s VAL 170 Cb -0.14 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 3hw1 s VAL 170 CO 0.04 -0.37 0.42 -0.83 -0.31 0.00 0.00 175.10 174.05 3hw1 s GLY 171 N -3.61 1.67 0.00 2.32 0.00 -1.26 -0.70 107.32 105.74 3hw1 s GLY 171 Ca 0.31 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3hw1 s GLY 171 CO 0.18 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3hw1 n GLY 172 N -0.56 -0.65 2.94 0.20 0.00 -1.06 -1.27 105.19 104.78 3hw1 n GLY 172 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 3hw1 n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw1 s SER 173 N -4.00 0.76 -0.43 1.61 0.01 0.96 0.06 113.70 112.67 3hw1 s SER 173 Ca 0.00 -0.11 -0.08 0.00 1.31 0.00 0.00 55.95 57.07 3hw1 s SER 173 Cb 0.00 -0.21 0.10 0.00 0.21 0.00 0.00 66.02 66.12 3hw1 s SER 173 CO 0.00 0.02 0.27 -0.32 0.41 0.00 0.00 173.24 173.62 3hw1 s MET 174 N 0.28 2.44 -0.28 12.44 1.75 -1.26 -0.04 119.30 134.62 3hw1 s MET 174 Ca -0.03 -1.64 -0.20 0.00 -1.25 0.00 0.00 55.69 52.57 3hw1 s MET 174 Cb -0.07 -3.78 -0.01 0.00 2.84 0.00 0.00 34.83 33.81 3hw1 s MET 174 CO -0.00 -1.06 0.63 0.42 -0.65 0.00 0.00 175.02 174.37 3hw1 s ILE 175 N 1.34 4.95 -0.26 10.11 -1.09 -0.41 -4.88 121.20 130.96 3hw1 s ILE 175 Ca 0.05 0.99 -0.11 0.00 -2.23 0.00 0.00 60.65 59.34 3hw1 s ILE 175 Cb -0.24 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 3hw1 s ILE 175 CO -0.00 -0.07 0.20 -0.63 -1.23 0.00 0.00 174.94 173.20 3hw1 s ILE 176 N 2.58 5.31 0.00 2.92 1.01 -1.26 -1.70 121.20 130.06 3hw1 s ILE 176 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3hw1 s ILE 176 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3hw1 s ILE 176 CO 0.10 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3hw1 n GLY 177 N 4.76 0.57 2.32 6.18 0.00 -0.12 -4.80 105.19 114.09 3hw1 n GLY 177 Ca -0.14 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.23 3hw1 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw1 n GLY 178 N -2.71 0.46 3.04 -0.02 0.00 -1.22 -4.22 105.19 100.51 3hw1 n GLY 178 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 3hw1 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hw1 s ILE 179 N -2.10 1.20 -0.28 -0.61 1.01 -1.26 -4.11 121.20 115.05 3hw1 s ILE 179 Ca 0.17 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3hw1 s ILE 179 Cb -0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3hw1 s ILE 179 CO 0.00 0.37 0.16 -0.62 0.00 0.00 0.00 174.94 174.85 3hw1 s ASP 180 N 0.64 5.75 0.58 3.58 -1.08 -1.26 -1.59 116.67 123.29 3hw1 s ASP 180 Ca -0.15 -0.10 0.38 0.00 -0.52 0.00 0.00 52.55 52.16 3hw1 s ASP 180 Cb -0.16 -2.06 1.85 0.00 -1.46 0.00 0.00 42.92 41.09 3hw1 s ASP 180 CO 0.04 -0.06 2.14 -0.74 0.52 0.00 0.00 175.17 177.07 3hw1 h HIS 181 N 8.34 0.00 0.00 -5.34 -0.00 -1.67 -2.72 115.15 113.75 3hw1 h HIS 181 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.01 3hw1 h HIS 181 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3hw1 h HIS 181 CO 0.73 0.00 -0.31 0.66 -0.00 0.00 0.00 177.93 179.01 3hw1 h SER 182 N 0.00 0.00 -0.02 3.26 4.64 -1.94 -3.32 113.55 116.17 3hw1 h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hw1 h SER 182 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hw1 h SER 182 CO 0.00 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 3hw1 n LEU 183 N -2.99 0.18 -3.90 5.97 4.77 -1.03 -4.74 117.00 115.25 3hw1 n LEU 183 Ca 0.03 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 3hw1 n LEU 183 Cb 0.55 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3hw1 n LEU 183 CO 0.36 0.04 0.18 -0.72 -1.33 0.00 0.00 177.39 175.93 3hw1 s TYR 184 N -1.97 0.19 0.35 -1.77 1.13 -1.25 -1.92 117.35 112.11 3hw1 s TYR 184 Ca 0.17 -0.55 0.09 0.00 -1.41 0.00 0.00 57.07 55.36 3hw1 s TYR 184 Cb 0.08 0.23 -0.07 0.00 -1.10 0.00 0.00 41.96 41.10 3hw1 s TYR 184 CO 0.13 -0.93 -0.07 0.95 -2.51 0.00 0.00 175.55 173.12 3hw1 s THR 185 N -3.96 2.10 0.00 -3.49 -4.23 -0.86 -4.79 115.64 100.42 3hw1 s THR 185 Ca 0.17 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3hw1 s THR 185 Cb -0.00 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3hw1 s THR 185 CO 0.03 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3hw1 n GLY 186 N -0.80 0.99 3.85 3.99 0.00 -1.26 -3.77 105.19 108.19 3hw1 n GLY 186 Ca -0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 3hw1 n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw1 s SER 187 N -4.00 5.89 -0.28 1.61 0.01 -1.26 -4.97 113.70 110.70 3hw1 s SER 187 Ca 0.00 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 3hw1 s SER 187 Cb 0.00 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 3hw1 s SER 187 CO 0.00 0.11 0.48 -0.76 0.41 0.00 0.00 173.24 173.48 3hw1 s LEU 188 N -2.86 4.10 -0.15 2.44 1.43 -1.26 -4.34 118.68 118.04 3hw1 s LEU 188 Ca 0.32 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 3hw1 s LEU 188 Cb -0.11 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3hw1 s LEU 188 CO 0.25 -0.30 -0.01 0.26 0.23 0.00 0.00 176.35 176.79 3hw1 s TRP 189 N 2.27 3.10 -0.13 0.29 0.52 -0.17 -4.90 118.94 119.93 3hw1 s TRP 189 Ca 0.19 -0.13 -0.03 0.00 0.02 0.00 0.00 56.10 56.15 3hw1 s TRP 189 Cb -0.16 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 3hw1 s TRP 189 CO 0.10 0.09 -0.04 0.71 0.02 0.00 0.00 176.95 177.83 3hw1 s TYR 190 N 0.18 3.03 -0.03 -1.98 1.51 -1.26 -1.28 117.35 117.51 3hw1 s TYR 190 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 3hw1 s TYR 190 Cb -0.13 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 3hw1 s TYR 190 CO 0.02 0.11 -0.00 -0.08 -1.11 0.00 0.00 175.55 174.49 3hw1 s THR 191 N -0.04 4.17 0.52 -0.71 -1.32 0.45 -3.84 115.64 114.87 3hw1 s THR 191 Ca 0.01 -0.49 -0.21 0.00 -1.21 0.00 0.00 61.69 59.79 3hw1 s THR 191 Cb -0.13 -2.82 -0.06 0.00 -1.51 0.00 0.00 72.50 67.98 3hw1 s THR 191 CO 0.03 0.46 1.23 -2.84 -2.21 0.00 0.00 174.62 171.29 3hw1 s PRO 192 N -1.31 3.36 -0.48 7.08 0.02 -1.26 -0.66 135.00 141.74 3hw1 s PRO 192 Ca 0.17 1.92 -0.23 0.00 0.02 0.00 0.00 61.00 62.89 3hw1 s PRO 192 Cb -0.11 -2.23 0.03 0.00 0.02 0.00 0.00 34.50 32.21 3hw1 s PRO 192 CO 0.07 -0.92 0.81 0.42 -0.33 0.00 0.00 177.00 177.05 3hw1 s ILE 193 N -1.49 4.60 0.26 2.83 1.01 0.18 -4.60 121.20 123.98 3hw1 s ILE 193 Ca 0.70 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.59 3hw1 s ILE 193 Cb -0.32 -4.38 0.27 0.00 0.01 0.00 0.00 42.46 38.03 3hw1 s ILE 193 CO 0.38 -0.84 1.91 -0.09 0.00 0.00 0.00 174.94 176.30 3hw1 h ARG 194 N 9.08 1.25 -2.15 2.79 2.43 -1.77 -3.44 114.38 122.57 3hw1 h ARG 194 Ca -0.25 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 3hw1 h ARG 194 Cb 1.08 -0.28 -0.22 0.00 -0.42 0.00 0.00 29.97 30.13 3hw1 h ARG 194 CO 1.00 0.83 0.01 0.50 -1.51 0.00 0.00 179.97 180.80 3hw1 s ARG 195 N -6.09 0.71 -1.25 0.20 3.52 -1.26 -5.10 118.95 109.68 3hw1 s ARG 195 Ca -0.13 1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 3hw1 s ARG 195 Cb 0.19 0.26 0.15 0.00 -1.56 0.00 0.00 34.95 33.99 3hw1 s ARG 195 CO 0.82 -0.12 1.61 0.39 -0.81 0.00 0.00 175.30 177.19 3hw1 n GLU 196 N 3.40 3.38 0.00 5.12 1.02 -1.26 -4.09 120.64 128.21 3hw1 n GLU 196 Ca -0.17 -3.65 0.00 0.00 -0.02 0.00 0.00 57.16 53.32 3hw1 n GLU 196 Cb 0.57 -3.09 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 3hw1 n GLU 196 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3hw1 n TRP 197 N 5.64 0.00 -1.34 -0.32 4.27 -1.26 -4.65 117.44 119.78 3hw1 n TRP 197 Ca 0.40 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.72 3hw1 n TRP 197 Cb 0.42 0.00 0.15 0.00 -1.36 0.00 0.00 31.31 30.52 3hw1 n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3hw1 s TYR 198 N 0.00 2.33 -1.32 -2.67 2.02 -1.26 -2.03 117.35 114.42 3hw1 s TYR 198 Ca 0.00 0.96 -0.17 0.00 -0.37 0.00 0.00 57.07 57.49 3hw1 s TYR 198 Cb 0.00 -3.30 0.03 0.00 -0.40 0.00 0.00 41.96 38.30 3hw1 s TYR 198 CO 0.00 -2.58 1.94 0.66 -1.57 0.00 0.00 175.55 173.99 3hw1 n TYR 199 N -3.95 3.97 -2.90 2.71 4.02 -1.26 -4.86 117.16 114.88 3hw1 n TYR 199 Ca 0.06 -2.72 -0.40 0.00 -0.01 0.00 0.00 57.90 54.83 3hw1 n TYR 199 Cb 0.58 -2.56 -0.05 0.00 -0.02 0.00 0.00 39.34 37.29 3hw1 n TYR 199 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3hw1 s GLU 200 N 4.09 4.62 0.41 -0.72 2.12 -1.26 -1.82 118.70 126.14 3hw1 s GLU 200 Ca 0.53 1.24 0.04 0.00 0.36 0.00 0.00 54.97 57.14 3hw1 s GLU 200 Cb 0.08 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3hw1 s GLU 200 CO 0.03 0.42 0.15 0.14 -0.54 0.00 0.00 175.26 175.46 3hw1 s VAL 201 N -0.65 0.49 -0.13 3.70 -7.23 0.38 -2.41 120.40 114.55 3hw1 s VAL 201 Ca 0.39 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 3hw1 s VAL 201 Cb -0.23 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.40 3hw1 s VAL 201 CO 0.27 0.00 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.25 3hw1 s ILE 202 N -3.22 1.77 -0.10 -0.62 1.01 -1.26 -4.00 121.20 114.77 3hw1 s ILE 202 Ca 0.25 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3hw1 s ILE 202 Cb 0.02 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 3hw1 s ILE 202 CO 0.16 0.49 0.35 -0.63 0.00 0.00 0.00 174.94 175.32 3hw1 s ILE 203 N 0.96 5.22 -0.15 2.92 1.01 -1.26 -2.38 121.20 127.52 3hw1 s ILE 203 Ca -0.05 0.69 0.08 0.00 0.00 0.00 0.00 60.65 61.37 3hw1 s ILE 203 Cb -0.15 -3.68 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 3hw1 s ILE 203 CO -0.03 0.45 0.24 1.33 0.00 0.00 0.00 174.94 176.93 3hw1 n VAL 204 N 2.97 0.00 -3.55 2.92 0.24 -0.64 -4.69 118.33 115.59 3hw1 n VAL 204 Ca -0.12 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3hw1 n VAL 204 Cb 0.52 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 3hw1 n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hw1 s ARG 205 N -2.29 0.83 -0.03 7.34 3.52 -1.24 -4.79 118.95 122.30 3hw1 s ARG 205 Ca -0.01 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3hw1 s ARG 205 Cb 0.06 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 3hw1 s ARG 205 CO 0.34 -0.26 -0.05 0.08 -0.81 0.00 0.00 175.30 174.60 3hw1 s VAL 206 N -1.12 0.53 -0.01 7.11 1.01 -1.26 -0.68 120.40 125.98 3hw1 s VAL 206 Ca -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3hw1 s VAL 206 Cb -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 3hw1 s VAL 206 CO 0.06 0.19 -0.16 -1.61 0.00 0.00 0.00 175.10 173.58 3hw1 s GLU 207 N 0.43 1.28 -0.30 2.72 2.02 -0.27 -1.06 118.70 123.53 3hw1 s GLU 207 Ca -0.06 -0.57 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 3hw1 s GLU 207 Cb -0.09 -1.24 0.02 0.00 0.10 0.00 0.00 34.13 32.92 3hw1 s GLU 207 CO 0.00 0.34 0.05 0.42 0.02 0.00 0.00 175.26 176.09 3hw1 s ILE 208 N -0.38 3.60 -1.53 -1.63 -1.09 -0.48 -1.02 121.20 118.66 3hw1 s ILE 208 Ca 0.06 -0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 3hw1 s ILE 208 Cb -0.06 -2.92 0.08 0.00 -1.58 0.00 0.00 42.46 37.98 3hw1 s ILE 208 CO -0.01 0.01 0.85 0.59 -1.23 0.00 0.00 174.94 175.16 3hw1 n ASN 209 N 4.79 -3.57 0.00 3.58 4.13 0.42 -1.32 115.26 123.28 3hw1 n ASN 209 Ca -0.14 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.26 3hw1 n ASN 209 Cb 0.46 -3.58 0.00 0.00 -1.54 0.00 0.00 39.78 35.12 3hw1 n ASN 209 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hw1 n GLY 210 N -1.64 2.37 3.62 7.41 0.00 -1.26 -5.00 105.19 110.69 3hw1 n GLY 210 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3hw1 n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hw1 s GLN 211 N -0.08 4.03 0.56 1.61 0.74 -0.44 -4.98 119.66 121.11 3hw1 s GLN 211 Ca 0.00 0.71 -0.21 0.00 0.05 0.00 0.00 55.36 55.91 3hw1 s GLN 211 Cb 0.00 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 3hw1 s GLN 211 CO 0.00 -0.64 1.29 0.34 -0.55 0.00 0.00 175.29 175.74 3hw1 s ASP 212 N 1.54 5.25 0.17 6.67 2.15 -1.26 -1.38 116.67 129.81 3hw1 s ASP 212 Ca 0.33 2.61 0.24 0.00 0.43 0.00 0.00 52.55 56.17 3hw1 s ASP 212 Cb -0.14 -2.62 0.40 0.00 -0.30 0.00 0.00 42.92 40.25 3hw1 s ASP 212 CO 0.11 -1.57 1.40 0.25 -0.17 0.00 0.00 175.17 175.20 3hw1 h LEU 213 N 1.26 0.00 -2.52 -1.34 5.85 -1.49 -3.47 115.31 113.61 3hw1 h LEU 213 Ca -0.51 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 3hw1 h LEU 213 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3hw1 h LEU 213 CO 0.56 0.06 -0.54 1.17 -0.34 0.00 0.00 178.44 179.36 3hw1 n LYS 214 N -2.28 -2.12 -3.56 1.25 3.00 -1.26 -5.01 118.16 108.17 3hw1 n LYS 214 Ca 0.03 1.89 -0.17 0.00 -0.00 0.00 0.00 58.31 60.06 3hw1 n LYS 214 Cb 0.46 -5.09 -0.06 0.00 0.00 0.00 0.00 35.03 30.33 3hw1 n LYS 214 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 3hw1 s MET 215 N -2.73 0.97 0.22 1.64 1.75 -1.26 -5.12 119.30 114.77 3hw1 s MET 215 Ca 0.22 0.43 -0.31 0.00 -1.25 0.00 0.00 55.69 54.78 3hw1 s MET 215 Cb -0.05 0.46 -0.11 0.00 2.84 0.00 0.00 34.83 37.97 3hw1 s MET 215 CO 0.79 -0.26 1.64 0.34 -0.65 0.00 0.00 175.02 176.87 3hw1 s ASP 216 N -0.77 6.44 0.00 1.11 -1.08 -1.26 -4.85 116.67 116.26 3hw1 s ASP 216 Ca -0.08 2.82 0.21 0.00 -0.52 0.00 0.00 52.55 54.98 3hw1 s ASP 216 Cb -0.02 -2.61 0.94 0.00 -1.46 0.00 0.00 42.92 39.77 3hw1 s ASP 216 CO 0.07 -0.91 1.68 0.00 0.52 0.00 0.00 175.17 176.54 3hw1 h LYS 218 N 0.00 0.62 0.00 0.00 1.57 -1.80 -2.67 116.57 114.28 3hw1 h LYS 218 Ca 0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3hw1 h LYS 218 Cb 0.34 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hw1 h LYS 218 CO 0.00 0.52 -0.09 0.93 -0.57 0.00 0.00 179.45 180.24 3hw1 h GLU 219 N 0.61 0.00 0.00 3.15 4.39 -1.59 -2.04 114.58 119.10 3hw1 h GLU 219 Ca 0.15 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3hw1 h GLU 219 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3hw1 h GLU 219 CO -0.01 0.09 -0.27 1.88 -1.16 0.00 0.00 179.01 179.54 3hw1 h TYR 220 N 0.00 0.00 -0.42 4.33 0.99 -1.61 -3.29 116.97 116.97 3hw1 h TYR 220 Ca -0.00 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.44 3hw1 h TYR 220 Cb 0.19 0.00 -0.21 0.00 1.00 0.00 0.00 36.73 37.71 3hw1 h TYR 220 CO 0.00 0.27 -0.49 0.09 -0.00 0.00 0.00 178.16 178.03 3hw1 n ASN 221 N -3.31 3.45 -4.18 3.88 3.02 -0.79 -4.51 115.26 112.82 3hw1 n ASN 221 Ca 0.01 -3.82 -0.34 0.00 -0.03 0.00 0.00 54.58 50.40 3hw1 n ASN 221 Cb 0.52 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.05 3hw1 n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hw1 s TYR 222 N -3.42 3.08 -2.29 3.10 5.04 -1.10 -0.73 117.35 121.03 3hw1 s TYR 222 Ca 0.46 -1.64 0.28 0.00 -2.44 0.00 0.00 57.07 53.73 3hw1 s TYR 222 Cb 0.40 -2.05 1.13 0.00 0.35 0.00 0.00 41.96 41.79 3hw1 s TYR 222 CO -0.01 -0.75 1.79 -0.40 -1.34 0.00 0.00 175.55 174.84 3hw1 n ASP 223 N 4.64 1.19 -3.59 4.32 5.75 -1.26 -3.76 116.55 123.83 3hw1 n ASP 223 Ca -0.16 -1.30 -0.04 0.00 -0.01 0.00 0.00 54.79 53.28 3hw1 n ASP 223 Cb 0.46 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 3hw1 n ASP 223 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3hw1 s LYS 224 N -2.10 0.38 -0.11 0.11 -2.85 0.09 -4.82 119.74 110.44 3hw1 s LYS 224 Ca 0.37 -0.15 0.03 0.00 -1.00 0.00 0.00 55.97 55.22 3hw1 s LYS 224 Cb 0.21 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 3hw1 s LYS 224 CO 0.37 -0.17 -0.22 -1.12 0.10 0.00 0.00 175.35 174.32 3hw1 s SER 225 N -2.34 2.94 0.07 0.03 0.01 -1.26 0.45 113.70 113.61 3hw1 s SER 225 Ca 0.10 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.86 3hw1 s SER 225 Cb -0.00 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 3hw1 s SER 225 CO -0.05 0.12 -0.13 0.27 0.41 0.00 0.00 173.24 173.87 3hw1 s ILE 226 N 0.52 1.01 -0.38 1.44 -4.36 -0.20 -0.47 121.20 118.77 3hw1 s ILE 226 Ca -0.15 -1.31 -0.16 0.00 -0.26 0.00 0.00 60.65 58.77 3hw1 s ILE 226 Cb -0.17 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.51 3hw1 s ILE 226 CO 0.05 -0.28 0.38 -0.69 0.24 0.00 0.00 174.94 174.64 3hw1 s VAL 227 N -1.41 5.15 -0.36 8.37 1.01 -0.75 -0.54 120.40 131.87 3hw1 s VAL 227 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hw1 s VAL 227 Cb -0.09 -3.90 0.13 0.00 0.00 0.00 0.00 36.38 32.51 3hw1 s VAL 227 CO 0.02 -0.22 0.19 -0.62 0.00 0.00 0.00 175.10 174.46 3hw1 s ASP 228 N 1.75 3.41 0.56 3.32 2.15 -0.82 -4.61 116.67 122.43 3hw1 s ASP 228 Ca 0.11 -2.09 0.30 0.00 0.43 0.00 0.00 52.55 51.31 3hw1 s ASP 228 Cb -0.17 -0.64 1.65 0.00 -0.30 0.00 0.00 42.92 43.46 3hw1 s ASP 228 CO 0.12 -0.33 1.92 0.77 -0.17 0.00 0.00 175.17 177.47 3hw1 h SER 229 N 7.31 0.00 -0.12 -0.34 4.64 -1.86 -1.82 113.55 121.36 3hw1 h SER 229 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hw1 h SER 229 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3hw1 h SER 229 CO 0.38 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 3hw1 n GLY 230 N -1.20 0.03 3.52 -0.77 0.00 -1.26 -4.72 105.19 100.79 3hw1 n GLY 230 Ca -0.02 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3hw1 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hw1 s THR 231 N -1.85 3.71 0.01 2.61 2.01 -0.68 -4.99 115.64 116.46 3hw1 s THR 231 Ca 0.33 -0.45 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 3hw1 s THR 231 Cb 0.17 -2.57 -0.18 0.00 0.01 0.00 0.00 72.50 69.93 3hw1 s THR 231 CO 0.26 0.55 1.38 0.74 -0.69 0.00 0.00 174.62 176.87 3hw1 h THR 232 N 4.75 1.20 -3.07 -0.82 2.02 -1.87 0.52 112.91 115.63 3hw1 h THR 232 Ca -0.39 -0.78 -0.45 0.00 0.77 0.00 0.00 66.41 65.56 3hw1 h THR 232 Cb 1.19 1.71 0.06 0.00 -1.74 0.00 0.00 68.15 69.36 3hw1 h THR 232 CO 0.57 0.20 0.07 0.20 0.37 0.00 0.00 175.52 176.92 3hw1 s ASN 233 N -5.48 5.24 -0.22 4.18 0.01 -1.26 -2.56 114.94 114.84 3hw1 s ASN 233 Ca -0.15 0.26 -0.21 0.00 -0.71 0.00 0.00 52.86 52.05 3hw1 s ASN 233 Cb 0.03 -1.13 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 3hw1 s ASN 233 CO 0.65 -1.22 0.64 -0.22 -1.51 0.00 0.00 177.10 175.44 3hw1 s LEU 234 N -4.92 4.11 -0.12 0.60 2.96 -0.69 -2.84 118.68 117.78 3hw1 s LEU 234 Ca 0.57 0.79 -0.00 0.00 -0.22 0.00 0.00 54.13 55.26 3hw1 s LEU 234 Cb -0.10 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 3hw1 s LEU 234 CO 0.41 -0.33 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.87 3hw1 s ARG 235 N 2.21 3.26 0.07 1.98 0.52 -0.59 -1.88 118.95 124.52 3hw1 s ARG 235 Ca 0.28 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.91 3hw1 s ARG 235 Cb -0.16 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 3hw1 s ARG 235 CO 0.09 0.31 -0.21 -0.51 0.02 0.00 0.00 175.30 175.00 3hw1 s LEU 236 N 0.11 2.22 1.05 2.53 1.43 -0.70 -1.23 118.68 124.10 3hw1 s LEU 236 Ca -0.05 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 3hw1 s LEU 236 Cb -0.15 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.28 3hw1 s LEU 236 CO 0.04 0.12 0.63 -2.65 0.23 0.00 0.00 176.35 174.73 3hw1 n PRO 237 N 1.53 -1.28 0.09 1.29 -0.02 -1.26 0.89 135.00 136.24 3hw1 n PRO 237 Ca -0.18 -0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 60.83 3hw1 n PRO 237 Cb 0.53 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 3hw1 n PRO 237 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3hw1 h LYS 238 N -2.08 -0.14 -0.30 -0.52 3.64 -1.92 0.48 116.57 115.72 3hw1 h LYS 238 Ca -0.51 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 3hw1 h LYS 238 Cb 1.31 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 3hw1 h LYS 238 CO 0.41 -0.06 0.06 -0.22 -2.27 0.00 0.00 179.45 177.37 3hw1 h LYS 239 N -0.18 0.43 0.06 1.90 1.63 -1.94 -1.84 116.57 116.63 3hw1 h LYS 239 Ca -0.01 -0.06 -0.26 0.00 -0.85 0.00 0.00 60.65 59.47 3hw1 h LYS 239 Cb 0.15 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3hw1 h LYS 239 CO 0.02 0.41 -1.25 0.28 -3.45 0.00 0.00 179.45 175.46 3hw1 h VAL 240 N 0.43 1.45 0.22 2.00 2.07 -1.78 -3.24 116.25 117.39 3hw1 h VAL 240 Ca 0.10 -3.12 -0.01 0.00 0.82 0.00 0.00 66.70 64.49 3hw1 h VAL 240 Cb 0.19 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3hw1 h VAL 240 CO -0.00 0.87 -0.10 0.15 0.02 0.00 0.00 177.57 178.50 3hw1 h PHE 241 N 0.03 -0.27 -0.12 1.57 3.57 0.30 -2.51 116.94 119.51 3hw1 h PHE 241 Ca -0.12 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.41 3hw1 h PHE 241 Cb 1.90 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.68 3hw1 h PHE 241 CO 0.03 0.07 -0.14 0.93 -2.23 0.00 0.00 178.31 176.98 3hw1 h GLU 242 N -0.65 -0.16 -0.42 1.11 5.08 -1.48 0.08 114.58 118.13 3hw1 h GLU 242 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hw1 h GLU 242 Cb 0.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3hw1 h GLU 242 CO 0.05 -0.11 0.27 0.00 -1.00 0.00 0.00 179.01 178.22 3hw1 h ALA 243 N 0.90 1.69 -0.07 3.43 0.00 -1.64 -0.07 119.26 123.50 3hw1 h ALA 243 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hw1 h ALA 243 Cb 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hw1 h ALA 243 CO -0.23 0.29 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 3hw1 h ALA 244 N 1.73 0.10 -0.47 0.00 0.00 -0.82 -2.19 119.26 117.61 3hw1 h ALA 244 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hw1 h ALA 244 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hw1 h ALA 244 CO -0.03 -0.14 0.25 0.28 0.00 0.00 0.00 179.25 179.61 3hw1 h VAL 245 N -0.23 1.17 -0.30 0.00 2.07 -0.65 -0.51 116.25 117.79 3hw1 h VAL 245 Ca 0.02 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3hw1 h VAL 245 Cb 0.49 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 3hw1 h VAL 245 CO 0.01 0.18 -0.31 0.50 0.02 0.00 0.00 177.57 177.97 3hw1 h LYS 246 N 0.61 -0.28 -0.31 1.57 3.64 -1.06 -0.34 116.57 120.41 3hw1 h LYS 246 Ca 0.16 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3hw1 h LYS 246 Cb 0.06 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3hw1 h LYS 246 CO -0.03 -0.18 -0.15 1.03 -2.27 0.00 0.00 179.45 177.85 3hw1 h SER 247 N -0.29 0.53 -0.11 4.20 0.87 -1.03 -2.67 113.55 115.06 3hw1 h SER 247 Ca 0.15 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3hw1 h SER 247 Cb 0.53 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3hw1 h SER 247 CO -0.46 0.71 -0.14 0.40 -0.53 0.00 0.00 176.83 176.80 3hw1 h ILE 248 N 0.50 1.37 -0.50 2.23 2.04 -0.78 -2.81 117.51 119.55 3hw1 h ILE 248 Ca 0.09 -1.34 0.10 0.00 1.00 0.00 0.00 64.86 64.70 3hw1 h ILE 248 Cb 0.55 1.99 -0.10 0.00 -0.74 0.00 0.00 36.82 38.52 3hw1 h ILE 248 CO 0.03 0.39 -0.29 0.11 0.00 0.00 0.00 178.15 178.39 3hw1 h LYS 249 N -0.11 -0.16 -0.77 2.37 1.57 -1.01 -0.76 116.57 117.69 3hw1 h LYS 249 Ca 0.01 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3hw1 h LYS 249 Cb 0.69 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 3hw1 h LYS 249 CO 0.03 -0.11 0.44 0.00 -0.57 0.00 0.00 179.45 179.25 3hw1 h ALA 250 N 1.02 1.08 0.00 3.86 0.00 -1.45 -1.26 119.26 122.51 3hw1 h ALA 250 Ca 0.22 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3hw1 h ALA 250 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hw1 h ALA 250 CO -0.60 0.10 -0.66 0.00 0.00 0.00 0.00 179.25 178.09 3hw1 h ALA 251 N 1.41 0.76 -0.57 0.00 0.00 -1.19 -3.15 119.26 116.53 3hw1 h ALA 251 Ca 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hw1 h ALA 251 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hw1 h ALA 251 CO -0.22 0.83 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 3hw1 n SER 252 N -3.54 5.14 0.00 0.00 3.41 -0.33 -4.69 113.62 113.62 3hw1 n SER 252 Ca -0.00 -2.71 0.08 0.00 -0.26 0.00 0.00 58.87 55.98 3hw1 n SER 252 Cb 0.70 -0.64 0.42 0.00 -0.26 0.00 0.00 64.21 64.44 3hw1 n SER 252 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hw1 n SER 253 N 0.77 0.00 0.27 4.04 3.41 -0.54 -2.48 113.62 119.08 3hw1 n SER 253 Ca 0.26 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 3hw1 n SER 253 Cb 1.04 -0.31 0.72 0.00 -0.26 0.00 0.00 64.21 65.41 3hw1 n SER 253 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hw1 h THR 254 N 0.00 0.78 -4.26 6.66 1.35 -1.87 -3.39 112.91 112.18 3hw1 h THR 254 Ca 0.00 -0.26 -0.65 0.00 -0.55 0.00 0.00 66.41 64.96 3hw1 h THR 254 Cb 0.17 1.15 -0.26 0.00 -1.73 0.00 0.00 68.15 67.48 3hw1 h THR 254 CO 0.00 0.07 -0.86 -1.61 -0.25 0.00 0.00 175.52 172.86 3hw1 s GLU 255 N -4.64 1.63 -0.09 4.72 2.02 -1.04 -5.15 118.70 116.16 3hw1 s GLU 255 Ca -0.04 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3hw1 s GLU 255 Cb 0.15 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.58 3hw1 s GLU 255 CO 0.62 0.46 -0.10 0.15 0.02 0.00 0.00 175.26 176.41 3hw1 s LYS 256 N -1.19 3.02 0.20 1.61 -0.14 -1.26 -4.92 119.74 117.06 3hw1 s LYS 256 Ca 0.10 -0.62 0.11 0.00 -1.36 0.00 0.00 55.97 54.21 3hw1 s LYS 256 Cb -0.09 -2.60 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 3hw1 s LYS 256 CO 0.02 0.46 -0.24 -0.06 -0.76 0.00 0.00 175.35 174.77 3hw1 s PHE 257 N -0.28 2.30 0.80 3.18 0.40 -1.26 -5.13 117.98 117.99 3hw1 s PHE 257 Ca 0.03 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 3hw1 s PHE 257 Cb -0.13 -1.13 0.07 0.00 0.51 0.00 0.00 43.02 42.34 3hw1 s PHE 257 CO 0.03 0.51 1.09 -1.25 0.70 0.00 0.00 175.22 176.30 3hw1 s PRO 258 N -2.72 2.04 0.38 0.24 0.04 -1.26 -4.91 135.00 128.81 3hw1 s PRO 258 Ca 0.21 1.13 0.10 0.00 0.04 0.00 0.00 61.00 62.48 3hw1 s PRO 258 Cb -0.08 -1.88 0.87 0.00 0.04 0.00 0.00 34.50 33.46 3hw1 s PRO 258 CO 0.10 -1.78 1.93 -0.44 0.04 0.00 0.00 177.00 176.84 3hw1 h ASP 259 N -1.23 0.56 -0.81 6.66 3.32 -2.01 -2.34 116.42 120.57 3hw1 h ASP 259 Ca -0.44 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3hw1 h ASP 259 Cb 1.24 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3hw1 h ASP 259 CO 0.51 0.32 0.35 1.23 -1.72 0.00 0.00 179.24 179.94 3hw1 h GLY 260 N 0.62 1.29 0.35 2.75 0.00 -1.96 -2.65 103.07 103.47 3hw1 h GLY 260 Ca 0.36 -0.67 0.05 0.00 0.00 0.00 0.00 47.33 47.07 3hw1 h GLY 260 CO -0.13 0.64 -0.19 -2.75 0.00 0.00 0.00 176.54 174.11 3hw1 h PHE 261 N 1.18 -0.48 0.00 5.60 3.57 -1.62 0.68 116.94 125.87 3hw1 h PHE 261 Ca 0.28 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3hw1 h PHE 261 Cb 0.18 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3hw1 h PHE 261 CO 0.02 -0.26 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.27 3hw1 h TRP 262 N -0.22 0.00 -0.30 0.41 4.06 -1.60 -0.18 115.95 118.13 3hw1 h TRP 262 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 3hw1 h TRP 262 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3hw1 h TRP 262 CO -0.31 0.08 0.00 1.28 -3.56 0.00 0.00 178.44 175.93 3hw1 n LEU 263 N -3.55 2.06 -1.42 -4.49 4.77 -0.70 -4.92 117.00 108.75 3hw1 n LEU 263 Ca -0.02 -1.03 -0.15 0.00 -0.03 0.00 0.00 56.01 54.78 3hw1 n LEU 263 Cb 0.20 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3hw1 n LEU 263 CO 0.28 0.42 -0.17 0.61 -1.33 0.00 0.00 177.39 177.21 3hw1 n GLY 264 N 0.81 0.68 0.09 -0.72 0.00 -0.08 -4.90 105.19 101.07 3hw1 n GLY 264 Ca 0.11 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3hw1 n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hw1 n GLU 265 N -2.51 1.06 -4.46 1.61 1.02 0.15 -4.85 120.64 112.66 3hw1 n GLU 265 Ca -0.16 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.75 3hw1 n GLU 265 Cb 0.56 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.40 3hw1 n GLU 265 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hw1 s GLN 266 N -2.43 1.21 0.57 3.49 0.74 -1.20 -4.93 119.66 117.11 3hw1 s GLN 266 Ca -0.12 -0.99 -0.15 0.00 0.05 0.00 0.00 55.36 54.16 3hw1 s GLN 266 Cb 0.06 -1.35 -0.06 0.00 1.10 0.00 0.00 33.01 32.76 3hw1 s GLN 266 CO 0.69 0.33 1.01 -0.51 -0.55 0.00 0.00 175.29 176.27 3hw1 s LEU 267 N -1.44 3.47 -0.03 3.68 1.43 -1.26 -4.36 118.68 120.18 3hw1 s LEU 267 Ca 0.06 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 3hw1 s LEU 267 Cb -0.09 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.63 3hw1 s LEU 267 CO 0.03 -0.82 -0.06 -0.69 0.23 0.00 0.00 176.35 175.03 3hw1 s VAL 268 N -2.75 0.57 0.03 -1.59 1.01 -0.98 -4.93 120.40 111.76 3hw1 s VAL 268 Ca 0.59 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3hw1 s VAL 268 Cb -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3hw1 s VAL 268 CO 0.39 0.20 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 3hw1 s TRP 270 N -0.72 0.95 0.71 0.00 0.51 -0.91 -5.02 118.94 114.47 3hw1 s TRP 270 Ca 0.03 -0.82 -0.16 0.00 -2.12 0.00 0.00 56.10 53.02 3hw1 s TRP 270 Cb -0.07 -0.53 -0.04 0.00 -0.81 0.00 0.00 33.47 32.01 3hw1 s TRP 270 CO 0.01 -0.09 0.53 1.04 -0.51 0.00 0.00 176.95 177.93 3hw1 n GLN 271 N 0.14 0.31 -1.62 4.98 6.02 -1.26 -2.05 117.38 123.90 3hw1 n GLN 271 Ca -0.13 0.14 -0.61 0.00 -0.01 0.00 0.00 57.00 56.39 3hw1 n GLN 271 Cb 0.60 -1.82 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 3hw1 n GLN 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw1 n ALA 272 N -2.35 -2.08 -1.11 -1.58 0.00 -1.26 -1.25 120.51 110.88 3hw1 n ALA 272 Ca 0.10 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 54.03 3hw1 n ALA 272 Cb 0.50 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 3hw1 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hw1 n GLY 273 N 2.83 0.49 0.67 0.00 0.00 -1.26 -4.84 105.19 103.08 3hw1 n GLY 273 Ca 0.24 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3hw1 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hw1 n THR 274 N -2.36 0.00 -1.69 2.61 -2.24 -0.38 -4.99 114.28 105.22 3hw1 n THR 274 Ca -0.04 -0.49 -0.59 0.00 -2.27 0.00 0.00 64.05 60.66 3hw1 n THR 274 Cb 0.39 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.89 3hw1 n THR 274 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hw1 n THR 275 N 0.90 0.19 -1.88 4.28 -1.04 -1.26 -4.81 114.28 110.66 3hw1 n THR 275 Ca 0.10 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 3hw1 n THR 275 Cb 0.43 -0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 67.97 3hw1 n THR 275 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hw1 n PRO 276 N 4.52 3.94 -0.32 -2.82 -0.04 -1.26 -4.78 135.00 134.24 3hw1 n PRO 276 Ca 0.26 -3.07 0.15 0.00 -0.04 0.00 0.00 63.50 60.79 3hw1 n PRO 276 Cb 0.10 -2.82 0.33 0.00 -0.04 0.00 0.00 33.50 31.06 3hw1 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hw1 h TRP 277 N 5.14 0.78 0.00 0.54 4.06 -1.97 -2.39 115.95 122.12 3hw1 h TRP 277 Ca 0.65 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.64 3hw1 h TRP 277 Cb 0.42 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3hw1 h TRP 277 CO 1.57 -0.01 0.00 0.27 -3.56 0.00 0.00 178.44 176.71 3hw1 n ASN 278 N -4.99 0.21 0.13 -3.49 2.04 -1.26 -1.68 115.26 106.22 3hw1 n ASN 278 Ca 0.24 0.57 0.12 0.00 -0.44 0.00 0.00 54.58 55.07 3hw1 n ASN 278 Cb 0.68 -0.61 0.11 0.00 -2.53 0.00 0.00 39.78 37.43 3hw1 n ASN 278 CO 0.00 0.00 0.00 0.16 -0.44 0.00 0.00 177.26 176.98 3hw1 h ILE 279 N 0.00 0.00 -3.22 1.53 3.07 -1.79 -3.46 117.51 113.65 3hw1 h ILE 279 Ca 0.00 -0.85 -0.58 0.00 1.55 0.00 0.00 64.86 64.98 3hw1 h ILE 279 Cb 0.16 1.54 -0.05 0.00 -0.27 0.00 0.00 36.82 38.19 3hw1 h ILE 279 CO 0.00 0.00 -0.09 -0.36 -1.05 0.00 0.00 178.15 176.65 3hw1 s PHE 280 N -3.26 3.70 0.83 0.16 0.08 -0.67 -3.52 117.98 115.29 3hw1 s PHE 280 Ca 0.04 1.12 -0.11 0.00 0.12 0.00 0.00 56.93 58.09 3hw1 s PHE 280 Cb 0.09 -2.48 0.09 0.00 -0.57 0.00 0.00 43.02 40.15 3hw1 s PHE 280 CO 0.73 0.47 1.09 -1.25 -0.10 0.00 0.00 175.22 176.16 3hw1 s PRO 281 N -0.55 1.84 0.24 0.24 0.04 -1.26 -4.79 135.00 130.76 3hw1 s PRO 281 Ca 0.28 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 3hw1 s PRO 281 Cb -0.18 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3hw1 s PRO 281 CO 0.16 -1.84 0.66 0.54 0.04 0.00 0.00 177.00 176.56 3hw1 s VAL 282 N -3.01 4.73 -0.11 -0.36 0.11 -1.26 -4.34 120.40 116.16 3hw1 s VAL 282 Ca 0.62 0.92 0.02 0.00 -2.93 0.00 0.00 61.98 60.61 3hw1 s VAL 282 Cb -0.16 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 3hw1 s VAL 282 CO 0.56 0.03 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.53 3hw1 s ILE 283 N -1.72 2.47 -0.12 7.04 1.01 -0.80 -0.44 121.20 128.64 3hw1 s ILE 283 Ca 0.47 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3hw1 s ILE 283 Cb -0.13 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3hw1 s ILE 283 CO 0.19 0.55 -0.16 -0.44 0.00 0.00 0.00 174.94 175.08 3hw1 s SER 284 N 0.32 2.56 -0.19 3.58 0.01 -0.19 -0.56 113.70 119.24 3hw1 s SER 284 Ca -0.15 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 3hw1 s SER 284 Cb -0.17 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 3hw1 s SER 284 CO 0.08 0.01 0.04 -0.76 0.41 0.00 0.00 173.24 173.01 3hw1 s LEU 285 N 1.05 3.60 -0.03 2.44 1.43 -0.70 -1.11 118.68 125.37 3hw1 s LEU 285 Ca -0.05 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3hw1 s LEU 285 Cb -0.15 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3hw1 s LEU 285 CO -0.03 0.14 0.35 -0.31 0.23 0.00 0.00 176.35 176.73 3hw1 s TYR 286 N 0.58 3.70 0.10 0.29 1.51 0.14 -1.41 117.35 122.25 3hw1 s TYR 286 Ca 0.02 0.89 0.08 0.00 -1.01 0.00 0.00 57.07 57.06 3hw1 s TYR 286 Cb -0.13 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 3hw1 s TYR 286 CO 0.02 0.65 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.38 3hw1 s LEU 287 N -1.01 2.28 0.27 -1.29 1.43 -0.09 -1.61 118.68 118.66 3hw1 s LEU 287 Ca 0.22 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 3hw1 s LEU 287 Cb -0.16 -0.94 -0.13 0.00 0.03 0.00 0.00 46.19 44.99 3hw1 s LEU 287 CO 0.11 0.09 1.31 0.80 0.23 0.00 0.00 176.35 178.89 3hw1 n MET 288 N 1.16 1.91 -0.86 1.70 0.00 -1.00 -2.18 117.12 117.86 3hw1 n MET 288 Ca -0.19 0.67 -0.04 0.00 -0.00 0.00 0.00 57.70 58.14 3hw1 n MET 288 Cb 0.53 -2.27 0.02 0.00 0.00 0.00 0.00 33.22 31.51 3hw1 n MET 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hw1 n GLY 289 N 1.69 0.44 0.15 -5.12 0.00 0.12 -4.10 105.19 98.37 3hw1 n GLY 289 Ca 0.10 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 3hw1 n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hw1 h GLU 290 N 0.00 0.54 -6.77 1.61 4.39 -1.81 -3.39 114.58 109.15 3hw1 h GLU 290 Ca -0.06 -0.82 -0.49 0.00 0.34 0.00 0.00 59.36 58.33 3hw1 h GLU 290 Cb 0.21 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3hw1 h GLU 290 CO 0.06 1.38 0.35 0.08 -1.16 0.00 0.00 179.01 179.72 3hw1 s VAL 291 N -2.78 4.08 0.36 3.13 1.01 -1.26 -5.02 120.40 119.92 3hw1 s VAL 291 Ca -0.08 2.06 -0.28 0.00 0.00 0.00 0.00 61.98 63.67 3hw1 s VAL 291 Cb 0.05 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 3hw1 s VAL 291 CO 0.93 0.46 1.45 -0.89 0.00 0.00 0.00 175.10 177.05 3hw1 s THR 292 N -1.23 2.20 -1.54 3.92 2.01 -1.26 -2.40 115.64 117.34 3hw1 s THR 292 Ca 0.42 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 3hw1 s THR 292 Cb -0.25 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.15 3hw1 s THR 292 CO 0.31 0.05 0.47 0.59 -0.69 0.00 0.00 174.62 175.34 3hw1 n ASN 293 N 0.58 -5.68 -3.83 3.53 3.02 -1.26 -5.00 115.26 106.62 3hw1 n ASN 293 Ca 0.01 -0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.12 3hw1 n ASN 293 Cb 0.40 -4.63 -0.17 0.00 -0.61 0.00 0.00 39.78 34.77 3hw1 n ASN 293 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hw1 s GLN 294 N -5.61 0.66 0.30 3.52 -0.21 -1.01 -2.36 119.66 114.96 3hw1 s GLN 294 Ca 0.25 0.01 0.08 0.00 0.02 0.00 0.00 55.36 55.73 3hw1 s GLN 294 Cb -0.12 -0.86 -0.06 0.00 1.00 0.00 0.00 33.01 32.98 3hw1 s GLN 294 CO 0.31 -0.19 -0.08 -1.54 -2.12 0.00 0.00 175.29 171.67 3hw1 s SER 295 N 1.41 3.14 0.14 5.90 1.04 0.83 0.13 113.70 126.29 3hw1 s SER 295 Ca -0.04 -1.18 0.05 0.00 0.48 0.00 0.00 55.95 55.27 3hw1 s SER 295 Cb -0.13 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 3hw1 s SER 295 CO -0.03 -0.27 -0.12 0.72 0.98 0.00 0.00 173.24 174.53 3hw1 s PHE 296 N -2.84 1.33 0.05 5.02 -0.12 -0.93 0.09 117.98 120.59 3hw1 s PHE 296 Ca 0.30 -0.66 0.08 0.00 -0.05 0.00 0.00 56.93 56.60 3hw1 s PHE 296 Cb 0.03 -0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 3hw1 s PHE 296 CO 0.14 0.12 -0.21 -0.98 -0.05 0.00 0.00 175.22 174.24 3hw1 s ARG 297 N -3.28 1.92 -0.14 1.99 1.70 0.09 -0.91 118.95 120.32 3hw1 s ARG 297 Ca 0.14 -1.06 -0.02 0.00 -0.47 0.00 0.00 55.73 54.31 3hw1 s ARG 297 Cb -0.01 -2.10 -0.03 0.00 -0.57 0.00 0.00 34.95 32.25 3hw1 s ARG 297 CO 0.02 0.52 -0.06 0.96 -1.08 0.00 0.00 175.30 175.66 3hw1 s ILE 298 N -0.92 3.70 -0.14 4.99 -4.36 -0.50 -1.77 121.20 122.20 3hw1 s ILE 298 Ca 0.14 -0.44 0.02 0.00 -0.26 0.00 0.00 60.65 60.11 3hw1 s ILE 298 Cb -0.10 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 41.02 3hw1 s ILE 298 CO 0.05 0.52 -0.20 -0.89 0.24 0.00 0.00 174.94 174.65 3hw1 s THR 299 N 0.17 2.22 0.28 8.37 2.01 -0.27 -1.71 115.64 126.70 3hw1 s THR 299 Ca -0.03 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.13 3hw1 s THR 299 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3hw1 s THR 299 CO 0.03 0.54 0.12 0.27 -0.69 0.00 0.00 174.62 174.90 3hw1 s ILE 300 N 0.81 3.74 0.39 1.82 -4.36 0.27 -2.02 121.20 121.85 3hw1 s ILE 300 Ca -0.07 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.76 3hw1 s ILE 300 Cb -0.15 -3.10 -0.01 0.00 1.25 0.00 0.00 42.46 40.45 3hw1 s ILE 300 CO -0.01 -0.31 0.44 -0.76 0.24 0.00 0.00 174.94 174.53 3hw1 s LEU 301 N -3.80 3.59 0.54 0.37 1.43 -1.26 -1.90 118.68 117.65 3hw1 s LEU 301 Ca 0.34 -0.53 0.20 0.00 -1.03 0.00 0.00 54.13 53.11 3hw1 s LEU 301 Cb -0.06 -2.37 1.42 0.00 0.03 0.00 0.00 46.19 45.21 3hw1 s LEU 301 CO 0.23 -0.61 2.17 1.55 0.23 0.00 0.00 176.35 179.92 3hw1 h PRO 302 N 0.92 0.00 -0.09 1.29 0.13 -1.87 -1.53 132.00 130.86 3hw1 h PRO 302 Ca -0.42 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.73 3hw1 h PRO 302 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hw1 h PRO 302 CO 0.53 0.01 0.13 1.96 -0.23 0.00 0.00 178.00 180.40 3hw1 h GLN 303 N 0.00 0.00 0.13 0.86 7.50 -1.86 0.26 115.11 122.01 3hw1 h GLN 303 Ca -0.00 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 58.86 3hw1 h GLN 303 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 3hw1 h GLN 303 CO 0.00 0.00 -1.48 1.96 -1.50 0.00 0.00 178.83 177.81 3hw1 h GLN 304 N 0.00 0.28 -0.33 1.46 7.50 -1.56 -3.39 115.11 119.07 3hw1 h GLN 304 Ca 0.04 -0.48 0.00 0.00 0.50 0.00 0.00 58.65 58.71 3hw1 h GLN 304 Cb 0.31 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.02 3hw1 h GLN 304 CO -0.00 1.23 0.00 2.48 -1.50 0.00 0.00 178.83 181.04 3hw1 n TYR 305 N -3.85 0.42 -3.85 2.96 0.18 -0.95 -4.61 117.16 107.47 3hw1 n TYR 305 Ca -0.25 -0.21 -0.35 0.00 1.88 0.00 0.00 57.90 58.97 3hw1 n TYR 305 Cb 0.94 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.77 3hw1 n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3hw1 s LEU 306 N -1.50 4.71 0.02 -3.48 1.43 0.87 -1.36 118.68 119.38 3hw1 s LEU 306 Ca 0.37 -1.77 -0.23 0.00 -1.03 0.00 0.00 54.13 51.47 3hw1 s LEU 306 Cb 0.21 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3hw1 s LEU 306 CO 0.30 -0.42 0.68 -0.60 0.23 0.00 0.00 176.35 176.53 3hw1 s ARG 307 N 1.15 4.41 0.73 1.70 3.52 -0.50 -4.75 118.95 125.20 3hw1 s ARG 307 Ca 0.04 0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 56.39 3hw1 s ARG 307 Cb -0.21 -3.35 0.04 0.00 -1.56 0.00 0.00 34.95 29.86 3hw1 s ARG 307 CO -0.04 0.32 1.20 -2.14 -0.81 0.00 0.00 175.30 173.83 3hw1 s PRO 308 N -0.11 2.17 -0.06 5.12 0.02 -1.26 -0.49 135.00 140.38 3hw1 s PRO 308 Ca 0.35 1.72 -0.06 0.00 0.02 0.00 0.00 61.00 63.03 3hw1 s PRO 308 Cb -0.19 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.50 3hw1 s PRO 308 CO 0.20 -1.81 0.16 0.08 -0.33 0.00 0.00 177.00 175.30 3hw1 s VAL 309 N -2.04 0.01 0.00 3.83 1.01 -1.07 -4.79 120.40 117.35 3hw1 s VAL 309 Ca 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3hw1 s VAL 309 Cb -0.28 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3hw1 s VAL 309 CO 0.45 -0.02 0.00 -1.84 0.00 0.00 0.00 175.10 173.69 3hw1 n GLU 310 N 2.90 0.00 0.00 2.72 0.28 -1.26 -4.50 120.64 120.78 3hw1 n GLU 310 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 3hw1 n GLU 310 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 3hw1 n GLU 310 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3hw1 n GLN 316 N 5.67 0.00 0.00 3.44 -0.06 -1.26 -4.76 117.38 120.41 3hw1 n GLN 316 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3hw1 n GLN 316 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3hw1 n GLN 316 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hw1 n ASP 317 N 4.22 0.00 -4.04 1.69 9.92 -1.26 -4.89 116.55 122.20 3hw1 n ASP 317 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 3hw1 n ASP 317 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 3hw1 n ASP 317 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3hw1 s ASP 318 N 0.00 4.55 0.29 -2.24 1.11 -0.87 -4.83 116.67 114.67 3hw1 s ASP 318 Ca 0.00 -1.72 0.10 0.00 0.18 0.00 0.00 52.55 51.11 3hw1 s ASP 318 Cb 0.00 -1.55 -0.05 0.00 1.07 0.00 0.00 42.92 42.39 3hw1 s ASP 318 CO 0.00 -0.28 -0.07 0.00 1.18 0.00 0.00 175.17 176.00 3hw1 s TYR 320 N -2.43 -0.41 -0.03 0.00 1.51 -0.80 -2.58 117.35 112.61 3hw1 s TYR 320 Ca 0.32 0.95 -0.01 0.00 -1.01 0.00 0.00 57.07 57.32 3hw1 s TYR 320 Cb -0.05 0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.92 3hw1 s TYR 320 CO 0.18 -0.25 0.05 0.21 -1.11 0.00 0.00 175.55 174.63 3hw1 s LYS 321 N -0.08 3.02 -0.46 -0.62 2.20 0.35 -2.32 119.74 121.84 3hw1 s LYS 321 Ca -0.03 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3hw1 s LYS 321 Cb -0.03 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 3hw1 s LYS 321 CO 0.01 0.67 1.25 0.12 -0.36 0.00 0.00 175.35 177.04 3hw1 s PHE 322 N -1.09 2.64 -0.38 4.03 5.36 -1.26 -1.41 117.98 125.87 3hw1 s PHE 322 Ca 0.20 0.68 0.06 0.00 -0.96 0.00 0.00 56.93 56.91 3hw1 s PHE 322 Cb -0.12 -4.40 0.62 0.00 -0.34 0.00 0.00 43.02 38.78 3hw1 s PHE 322 CO 0.10 -1.56 1.75 0.00 -1.46 0.00 0.00 175.22 174.05 3hw1 n ALA 323 N 8.27 4.83 -3.34 11.12 0.00 -0.46 -4.42 120.51 136.51 3hw1 n ALA 323 Ca 0.14 -2.31 -0.33 0.00 0.00 0.00 0.00 53.44 50.93 3hw1 n ALA 323 Cb 0.49 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 3hw1 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hw1 s ILE 324 N -2.80 2.86 0.13 0.00 1.01 -1.26 -1.71 121.20 119.44 3hw1 s ILE 324 Ca 0.49 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 3hw1 s ILE 324 Cb 0.41 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3hw1 s ILE 324 CO 0.11 0.51 0.06 -0.94 0.00 0.00 0.00 174.94 174.67 3hw1 s SER 325 N 0.73 0.31 0.34 3.58 1.04 -0.79 -4.79 113.70 114.12 3hw1 s SER 325 Ca -0.06 -1.20 -0.27 0.00 0.48 0.00 0.00 55.95 54.90 3hw1 s SER 325 Cb -0.15 0.30 -0.09 0.00 0.10 0.00 0.00 66.02 66.17 3hw1 s SER 325 CO 0.01 -0.73 1.05 -1.58 0.98 0.00 0.00 173.24 172.98 3hw1 s GLN 326 N -4.05 4.42 0.17 4.02 0.74 -1.26 -1.72 119.66 121.98 3hw1 s GLN 326 Ca 0.24 1.60 0.10 0.00 0.05 0.00 0.00 55.36 57.35 3hw1 s GLN 326 Cb 0.07 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 3hw1 s GLN 326 CO 0.02 0.07 -0.19 0.45 -0.55 0.00 0.00 175.29 175.08 3hw1 s SER 327 N -1.30 3.74 -0.13 6.67 0.15 0.26 -4.73 113.70 118.37 3hw1 s SER 327 Ca 0.51 -0.72 0.16 0.00 0.70 0.00 0.00 55.95 56.60 3hw1 s SER 327 Cb -0.26 -0.44 0.39 0.00 -1.71 0.00 0.00 66.02 64.01 3hw1 s SER 327 CO 0.32 0.13 1.19 -1.54 1.20 0.00 0.00 173.24 174.54 3hw1 n SER 328 N 0.34 1.46 -1.95 5.45 3.41 -1.26 -3.79 113.62 117.28 3hw1 n SER 328 Ca -0.13 -3.14 0.02 0.00 -0.26 0.00 0.00 58.87 55.37 3hw1 n SER 328 Cb 0.55 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3hw1 n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hw1 n THR 329 N -0.59 0.48 -2.49 6.66 -2.24 -1.26 -4.96 114.28 109.88 3hw1 n THR 329 Ca 0.14 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 3hw1 n THR 329 Cb 0.83 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 3hw1 n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw1 n GLY 330 N 0.10 -2.11 3.72 3.38 0.00 -1.25 -4.52 105.19 104.51 3hw1 n GLY 330 Ca 0.07 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3hw1 n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hw1 s THR 331 N -0.14 4.18 -0.26 2.61 2.01 0.17 -4.39 115.64 119.82 3hw1 s THR 331 Ca 0.00 1.68 0.02 0.00 0.31 0.00 0.00 61.69 63.70 3hw1 s THR 331 Cb 0.00 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.50 3hw1 s THR 331 CO 0.00 0.20 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.36 3hw1 s VAL 332 N 0.52 1.92 -1.08 3.82 1.01 -0.36 -1.03 120.40 125.20 3hw1 s VAL 332 Ca 0.53 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 3hw1 s VAL 332 Cb -0.27 -2.12 0.14 0.00 0.00 0.00 0.00 36.38 34.12 3hw1 s VAL 332 CO 0.31 -0.11 1.32 -0.04 0.00 0.00 0.00 175.10 176.58 3hw1 s MET 333 N 1.20 3.83 0.00 2.72 -1.94 0.29 -1.54 119.30 123.86 3hw1 s MET 333 Ca -0.06 -2.06 0.00 0.00 -1.71 0.00 0.00 55.69 51.86 3hw1 s MET 333 Cb -0.19 -5.06 0.00 0.00 2.01 0.00 0.00 34.83 31.59 3hw1 s MET 333 CO -0.06 -1.84 0.00 0.41 -0.01 0.00 0.00 175.02 173.52 3hw1 n GLY 334 N 5.03 0.99 0.28 -0.03 0.00 -1.13 -1.95 105.19 108.38 3hw1 n GLY 334 Ca 0.32 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.74 3hw1 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw1 h ALA 335 N -1.73 1.63 -0.09 4.61 0.00 -0.61 -1.11 119.26 121.97 3hw1 h ALA 335 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hw1 h ALA 335 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hw1 h ALA 335 CO 0.00 0.29 -0.22 -0.39 0.00 0.00 0.00 179.25 178.93 3hw1 h VAL 336 N 0.41 1.20 0.02 0.00 -1.51 -1.76 0.32 116.25 114.94 3hw1 h VAL 336 Ca 0.10 -0.94 -0.00 0.00 -1.23 0.00 0.00 66.70 64.63 3hw1 h VAL 336 Cb 0.11 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 3hw1 h VAL 336 CO -0.01 0.28 -0.01 0.40 -1.23 0.00 0.00 177.57 177.00 3hw1 h ILE 337 N 0.14 1.42 -0.28 7.19 1.08 -1.59 -3.36 117.51 122.11 3hw1 h ILE 337 Ca 0.02 -1.82 0.01 0.00 -0.39 0.00 0.00 64.86 62.69 3hw1 h ILE 337 Cb 0.47 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 3hw1 h ILE 337 CO 0.03 0.44 0.18 0.24 -0.69 0.00 0.00 178.15 178.35 3hw1 h MET 338 N -0.88 0.31 0.00 2.37 2.86 -1.00 -2.30 114.93 116.30 3hw1 h MET 338 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hw1 h MET 338 Cb 0.74 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3hw1 h MET 338 CO 0.01 0.21 0.00 0.39 1.06 0.00 0.00 176.91 178.57 3hw1 n GLU 339 N -4.50 0.14 0.19 1.72 1.02 0.11 -1.84 120.64 117.50 3hw1 n GLU 339 Ca 0.02 0.35 0.11 0.00 -0.02 0.00 0.00 57.16 57.62 3hw1 n GLU 339 Cb 0.11 -1.76 0.13 0.00 -0.02 0.00 0.00 31.44 29.90 3hw1 n GLU 339 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3hw1 h GLY 340 N 2.53 0.00 -3.08 0.62 0.00 -1.58 -3.40 103.07 98.16 3hw1 h GLY 340 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 3hw1 h GLY 340 CO 0.00 0.00 -0.70 -1.36 0.00 0.00 0.00 176.54 174.48 3hw1 s PHE 341 N -3.22 0.90 -0.36 5.60 0.40 -0.77 -1.72 117.98 118.81 3hw1 s PHE 341 Ca 0.05 -0.89 -0.22 0.00 -0.60 0.00 0.00 56.93 55.27 3hw1 s PHE 341 Cb 0.06 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 43.08 3hw1 s PHE 341 CO 0.70 -0.14 0.71 -0.47 0.70 0.00 0.00 175.22 176.72 3hw1 s TYR 342 N -3.52 3.13 -0.29 0.36 5.04 0.82 -4.57 117.35 118.31 3hw1 s TYR 342 Ca 0.11 0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 3hw1 s TYR 342 Cb 0.05 -3.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.05 3hw1 s TYR 342 CO -0.04 -0.69 0.16 0.08 -1.34 0.00 0.00 175.55 173.71 3hw1 s VAL 343 N 2.91 4.86 -0.27 3.14 1.01 -0.70 -2.10 120.40 129.24 3hw1 s VAL 343 Ca 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 3hw1 s VAL 343 Cb -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3hw1 s VAL 343 CO 0.16 0.17 0.17 -0.69 0.00 0.00 0.00 175.10 174.91 3hw1 s VAL 344 N 1.68 5.12 -1.02 2.92 1.01 0.55 -0.59 120.40 130.06 3hw1 s VAL 344 Ca 0.06 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 3hw1 s VAL 344 Cb -0.16 -3.43 0.19 0.00 0.00 0.00 0.00 36.38 32.98 3hw1 s VAL 344 CO 0.08 0.27 1.12 -0.36 0.00 0.00 0.00 175.10 176.21 3hw1 s PHE 345 N 1.72 3.62 -1.27 5.22 0.08 0.13 0.10 117.98 127.57 3hw1 s PHE 345 Ca 0.07 -2.01 -0.14 0.00 0.12 0.00 0.00 56.93 54.98 3hw1 s PHE 345 Cb -0.16 -4.09 0.14 0.00 -0.57 0.00 0.00 43.02 38.34 3hw1 s PHE 345 CO 0.09 -1.23 1.69 -3.47 -0.10 0.00 0.00 175.22 172.20 3hw1 n ASP 346 N 4.89 5.00 0.19 1.36 -0.08 -0.04 -2.46 116.55 125.40 3hw1 n ASP 346 Ca 0.25 -2.98 0.15 0.00 -1.51 0.00 0.00 54.79 50.69 3hw1 n ASP 346 Cb 0.45 -1.59 0.75 0.00 2.34 0.00 0.00 41.12 43.07 3hw1 n ASP 346 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3hw1 h ARG 347 N 6.77 0.00 0.00 -0.67 3.08 -1.72 -1.75 114.38 120.09 3hw1 h ARG 347 Ca 0.39 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.26 3hw1 h ARG 347 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3hw1 h ARG 347 CO 1.45 0.00 -0.84 0.00 -1.07 0.00 0.00 179.97 179.51 3hw1 h ALA 348 N 1.86 0.60 -0.28 0.04 0.00 -1.70 -3.10 119.26 116.68 3hw1 h ALA 348 Ca 0.08 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3hw1 h ALA 348 Cb 0.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hw1 h ALA 348 CO -0.00 0.97 -0.02 0.54 0.00 0.00 0.00 179.25 180.74 3hw1 n ARG 349 N -3.61 2.42 -3.60 0.00 1.74 -0.81 -4.98 116.66 107.83 3hw1 n ARG 349 Ca -0.02 -2.94 -0.26 0.00 -0.77 0.00 0.00 57.85 53.86 3hw1 n ARG 349 Cb 0.79 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 3hw1 n ARG 349 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hw1 n LYS 350 N -0.80 -2.91 -4.09 5.56 4.81 -0.72 -4.89 118.16 115.11 3hw1 n LYS 350 Ca 0.25 0.35 -0.09 0.00 -0.87 0.00 0.00 58.31 57.96 3hw1 n LYS 350 Cb 0.93 -5.03 -0.10 0.00 0.02 0.00 0.00 35.03 30.85 3hw1 n LYS 350 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3hw1 s ARG 351 N -6.25 0.62 -0.03 1.64 1.70 -1.00 0.48 118.95 116.12 3hw1 s ARG 351 Ca 0.49 -1.14 0.07 0.00 -0.47 0.00 0.00 55.73 54.68 3hw1 s ARG 351 Cb -0.27 0.05 -0.02 0.00 -0.57 0.00 0.00 34.95 34.14 3hw1 s ARG 351 CO 0.60 -0.07 -0.25 0.42 -1.08 0.00 0.00 175.30 174.92 3hw1 s ILE 352 N -3.33 2.15 0.03 4.99 1.01 0.16 -0.86 121.20 125.35 3hw1 s ILE 352 Ca 0.04 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3hw1 s ILE 352 Cb 0.04 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3hw1 s ILE 352 CO -0.07 0.58 -0.04 -0.83 0.00 0.00 0.00 174.94 174.59 3hw1 s GLY 353 N -0.56 1.82 -0.02 6.18 0.00 0.29 -0.41 107.32 114.62 3hw1 s GLY 353 Ca 0.08 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3hw1 s GLY 353 CO -0.00 -0.93 -0.07 -1.36 0.00 0.00 0.00 173.10 170.73 3hw1 s PHE 354 N -1.10 0.73 0.10 1.90 0.40 -0.41 -0.33 117.98 119.27 3hw1 s PHE 354 Ca 0.20 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 3hw1 s PHE 354 Cb -0.11 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.91 3hw1 s PHE 354 CO 0.11 -0.06 0.28 0.00 0.70 0.00 0.00 175.22 176.24 3hw1 s ALA 355 N 0.11 -0.53 0.02 5.36 0.00 -0.89 -1.00 121.76 124.83 3hw1 s ALA 355 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 3hw1 s ALA 355 Cb -0.06 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 3hw1 s ALA 355 CO -0.00 -0.56 1.55 0.08 0.00 0.00 0.00 175.76 176.83 3hw1 s VAL 356 N -3.79 3.39 0.19 0.00 1.01 -1.25 -0.13 120.40 119.83 3hw1 s VAL 356 Ca 0.04 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.48 3hw1 s VAL 356 Cb 0.03 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 3hw1 s VAL 356 CO -0.11 -0.01 1.45 -0.55 0.00 0.00 0.00 175.10 175.88 3hw1 s SER 357 N 2.32 6.70 0.55 3.32 0.15 -0.70 -2.03 113.70 124.01 3hw1 s SER 357 Ca 0.70 2.55 0.24 0.00 0.70 0.00 0.00 55.95 60.14 3hw1 s SER 357 Cb -0.35 -2.61 1.54 0.00 -1.71 0.00 0.00 66.02 62.89 3hw1 s SER 357 CO 0.29 -0.70 2.17 0.00 1.20 0.00 0.00 173.24 176.20 3hw1 h ALA 358 N 5.96 1.61 -0.01 5.45 0.00 -1.68 -3.10 119.26 127.49 3hw1 h ALA 358 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hw1 h ALA 358 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hw1 h ALA 358 CO 0.83 0.05 -0.64 0.00 0.00 0.00 0.00 179.25 179.49 3hw1 n HIS 360 N -0.49 0.96 -2.78 0.00 -0.00 -1.17 -4.74 115.22 106.99 3hw1 n HIS 360 Ca 0.08 0.46 -0.41 0.00 -0.00 0.00 0.00 57.72 57.84 3hw1 n HIS 360 Cb 0.43 -2.17 -0.03 0.00 -0.00 0.00 0.00 29.99 28.21 3hw1 n HIS 360 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3hw1 s VAL 361 N -1.45 4.90 -0.00 0.61 1.01 -1.26 -5.04 120.40 119.17 3hw1 s VAL 361 Ca 0.72 1.92 -0.28 0.00 0.00 0.00 0.00 61.98 64.34 3hw1 s VAL 361 Cb -0.45 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 31.76 3hw1 s VAL 361 CO 0.50 0.18 0.75 -1.38 0.00 0.00 0.00 175.10 175.16 3hw1 s HIS 362 N 0.94 -0.51 0.51 5.22 -0.00 -1.26 -4.71 115.29 115.47 3hw1 s HIS 362 Ca 0.49 0.64 -0.09 0.00 -0.00 0.00 0.00 55.06 56.10 3hw1 s HIS 362 Cb -0.20 0.48 0.12 0.00 -0.00 0.00 0.00 32.58 32.98 3hw1 s HIS 362 CO 0.26 -0.62 0.52 -0.40 -0.00 0.00 0.00 174.74 174.50 3hw1 n ASP 363 N 0.30 -0.98 0.19 7.38 5.75 -1.25 -4.97 116.55 122.98 3hw1 n ASP 363 Ca -0.15 -0.93 0.10 0.00 -0.01 0.00 0.00 54.79 53.80 3hw1 n ASP 363 Cb 0.60 -0.45 0.13 0.00 -1.03 0.00 0.00 41.12 40.37 3hw1 n ASP 363 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3hw1 h GLU 364 N 0.00 0.00 -0.01 0.11 4.81 -2.05 -3.34 114.58 114.10 3hw1 h GLU 364 Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3hw1 h GLU 364 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3hw1 h GLU 364 CO 0.12 0.12 -0.46 1.19 -0.73 0.00 0.00 179.01 179.25 3hw1 n PHE 365 N -3.11 0.00 -3.86 0.92 3.01 -1.26 -4.96 117.46 108.20 3hw1 n PHE 365 Ca 0.03 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.38 3hw1 n PHE 365 Cb 0.58 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.94 3hw1 n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3hw1 s ARG 366 N -2.08 0.35 0.15 -1.08 0.52 -1.25 -5.17 118.95 110.39 3hw1 s ARG 366 Ca 0.11 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 3hw1 s ARG 366 Cb 0.13 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 3hw1 s ARG 366 CO 0.48 -0.07 -0.03 -0.08 0.02 0.00 0.00 175.30 175.62 3hw1 s THR 367 N -0.85 0.71 0.64 0.02 -1.32 -1.26 -3.86 115.64 109.72 3hw1 s THR 367 Ca -0.09 -1.97 -0.14 0.00 -1.21 0.00 0.00 61.69 58.27 3hw1 s THR 367 Cb -0.05 -1.96 -0.01 0.00 -1.51 0.00 0.00 72.50 68.97 3hw1 s THR 367 CO 0.01 -0.63 1.08 0.00 -2.21 0.00 0.00 174.62 172.87 3hw1 s ALA 368 N -3.63 2.62 0.04 11.08 0.00 -1.26 -4.88 121.76 125.72 3hw1 s ALA 368 Ca 0.19 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.56 3hw1 s ALA 368 Cb 0.06 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3hw1 s ALA 368 CO 0.01 -1.07 -0.07 0.00 0.00 0.00 0.00 175.76 174.62 3hw1 s ALA 369 N -2.53 0.51 -0.11 0.00 0.00 -0.86 -4.91 121.76 113.86 3hw1 s ALA 369 Ca 0.64 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3hw1 s ALA 369 Cb -0.17 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3hw1 s ALA 369 CO 0.42 -0.04 -0.01 0.08 0.00 0.00 0.00 175.76 176.22 3hw1 s VAL 370 N -1.39 0.54 0.02 0.00 1.01 -1.26 -1.12 120.40 118.20 3hw1 s VAL 370 Ca -0.11 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3hw1 s VAL 370 Cb -0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3hw1 s VAL 370 CO 0.00 0.17 -0.04 -1.61 0.00 0.00 0.00 175.10 173.62 3hw1 s GLU 371 N 1.89 0.31 0.00 2.72 2.02 -0.73 -4.82 118.70 120.10 3hw1 s GLU 371 Ca 0.03 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.49 3hw1 s GLU 371 Cb -0.13 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.08 3hw1 s GLU 371 CO -0.06 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.61 3hw1 n GLY 372 N 1.85 -0.74 3.91 -1.39 0.00 -1.26 -0.73 105.19 106.83 3hw1 n GLY 372 Ca -0.21 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 3hw1 n GLY 372 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hw1 s PRO 373 N -2.00 3.54 -0.12 1.61 0.04 -1.26 -5.09 135.00 131.71 3hw1 s PRO 373 Ca 0.00 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.21 3hw1 s PRO 373 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3hw1 s PRO 373 CO 0.00 -0.16 -0.22 -0.06 0.04 0.00 0.00 177.00 176.60 3hw1 s PHE 374 N -2.69 2.64 -0.62 0.56 0.40 0.11 -4.95 117.98 113.44 3hw1 s PHE 374 Ca 0.47 -1.12 -0.27 0.00 -0.60 0.00 0.00 56.93 55.41 3hw1 s PHE 374 Cb -0.10 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 3hw1 s PHE 374 CO 0.44 -0.48 1.77 0.08 0.70 0.00 0.00 175.22 177.73 3hw1 s VAL 375 N 0.55 3.42 -0.26 -0.44 1.01 -1.26 -0.12 120.40 123.30 3hw1 s VAL 375 Ca -0.13 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3hw1 s VAL 375 Cb -0.17 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.20 3hw1 s VAL 375 CO 0.04 -1.02 -0.10 -0.89 0.00 0.00 0.00 175.10 173.13 3hw1 s THR 376 N 8.50 2.30 0.96 3.92 2.01 -0.99 -4.97 115.64 127.36 3hw1 s THR 376 Ca 0.63 -1.56 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 3hw1 s THR 376 Cb -0.12 -2.33 0.16 0.00 0.01 0.00 0.00 72.50 70.22 3hw1 s THR 376 CO 0.21 -0.01 1.09 -0.76 -0.69 0.00 0.00 174.62 174.45 3hw1 s LEU 377 N 1.14 1.99 -0.42 4.42 1.43 -1.26 -4.12 118.68 121.85 3hw1 s LEU 377 Ca -0.08 1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3hw1 s LEU 377 Cb -0.20 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.20 3hw1 s LEU 377 CO -0.05 -3.02 0.30 -0.67 0.23 0.00 0.00 176.35 173.14 3hw1 n ASP 378 N -4.13 -2.30 0.20 2.29 -0.08 -1.26 -4.87 116.55 106.40 3hw1 n ASP 378 Ca 0.07 -0.50 0.09 0.00 -1.51 0.00 0.00 54.79 52.94 3hw1 n ASP 378 Cb 0.55 -0.77 0.20 0.00 2.34 0.00 0.00 41.12 43.44 3hw1 n ASP 378 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3hw1 h MET 379 N 0.36 0.00 0.00 -0.67 2.86 -2.00 -3.18 114.93 112.29 3hw1 h MET 379 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3hw1 h MET 379 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3hw1 h MET 379 CO 0.19 0.21 0.00 0.93 1.06 0.00 0.00 176.91 179.30 3hw1 h GLU 380 N 0.00 0.00 -0.91 1.72 3.07 -1.97 -2.45 114.58 114.03 3hw1 h GLU 380 Ca -0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 3hw1 h GLU 380 Cb 1.06 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.89 3hw1 h GLU 380 CO 0.03 0.00 0.59 0.22 -1.40 0.00 0.00 179.01 178.44 3hw1 h ASP 381 N 0.00 0.62 1.23 1.42 3.58 -1.94 -2.97 116.42 118.36 3hw1 h ASP 381 Ca 0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 3hw1 h ASP 381 Cb 0.58 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 3hw1 h ASP 381 CO 0.00 0.29 -0.03 0.00 -2.88 0.00 0.00 179.24 176.61 3hw1 s GLY 383 N -4.20 2.47 -1.09 0.00 0.00 -1.13 -3.96 107.32 99.41 3hw1 s GLY 383 Ca 0.02 1.18 -0.13 0.00 0.00 0.00 0.00 44.72 45.79 3hw1 s GLY 383 CO 0.58 2.11 1.20 -0.47 0.00 0.00 0.00 173.10 176.53 3hw1 s TYR 384 N -0.04 3.72 0.00 1.90 5.04 -1.26 -4.93 117.35 121.77 3hw1 s TYR 384 Ca 0.57 -2.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.02 3hw1 s TYR 384 Cb -0.38 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 37.83 3hw1 s TYR 384 CO 0.41 -1.22 0.00 0.09 -1.34 0.00 0.00 175.55 173.49