#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwm n PHE 1 N 0.00 1.34 -2.74 -1.40 7.35 -1.26 -5.02 117.46 115.73 2hwm n PHE 1 Ca 0.00 -1.82 -0.42 0.00 -0.76 0.00 0.00 57.45 54.45 2hwm n PHE 1 Cb 0.00 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 39.55 2hwm n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2hwm s ASN 2 N -3.39 7.21 0.06 -2.13 0.01 -1.26 -5.03 114.94 110.41 2hwm s ASN 2 Ca 0.36 1.48 0.04 0.00 -0.71 0.00 0.00 52.86 54.04 2hwm s ASN 2 Cb 0.36 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 2hwm s ASN 2 CO -0.04 -0.40 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.35 2hwm s LEU 3 N 1.85 3.33 0.61 0.60 1.43 -1.26 -1.01 118.68 124.24 2hwm s LEU 3 Ca 0.47 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 2hwm s LEU 3 Cb -0.18 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2hwm s LEU 3 CO 0.18 0.22 1.07 -2.16 0.23 0.00 0.00 176.35 175.89 2hwm s PRO 4 N -1.97 3.17 0.46 1.29 0.04 -1.26 -4.59 135.00 132.14 2hwm s PRO 4 Ca 0.22 1.25 0.26 0.00 0.04 0.00 0.00 61.00 62.76 2hwm s PRO 4 Cb -0.11 -2.01 0.85 0.00 0.04 0.00 0.00 34.50 33.26 2hwm s PRO 4 CO 0.14 -0.94 1.79 -1.00 0.04 0.00 0.00 177.00 177.03 2hwm h PRO 5 N 0.30 0.00 0.00 0.56 0.13 -1.98 -3.47 132.00 127.54 2hwm h PRO 5 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 2hwm h PRO 5 Cb 1.23 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.49 2hwm h PRO 5 CO 0.56 0.15 0.06 0.41 -0.23 0.00 0.00 178.00 178.95 2hwm n GLY 6 N 0.41 -2.77 1.28 1.56 0.00 -1.26 -5.10 105.19 99.32 2hwm n GLY 6 Ca 0.01 -1.46 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 2hwm n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hwm n ASN 7 N -4.29 -0.33 -1.05 1.61 0.23 -1.26 -5.08 115.26 105.09 2hwm n ASN 7 Ca 0.10 -1.85 -0.03 0.00 -0.53 0.00 0.00 54.58 52.27 2hwm n ASN 7 Cb 0.39 0.72 0.18 0.00 -2.08 0.00 0.00 39.78 38.99 2hwm n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2hwm n TYR 8 N -0.25 0.85 0.16 -2.53 4.01 -1.26 -4.75 117.16 113.39 2hwm n TYR 8 Ca 0.03 -1.67 0.01 0.00 -0.16 0.00 0.00 57.90 56.10 2hwm n TYR 8 Cb 0.24 -0.39 0.28 0.00 -0.31 0.00 0.00 39.34 39.16 2hwm n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hwm h LYS 9 N 1.16 0.04 -4.88 -0.72 1.57 -1.98 -3.46 116.57 108.30 2hwm h LYS 9 Ca 0.15 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.60 2hwm h LYS 9 Cb 1.34 -0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.50 2hwm h LYS 9 CO 0.29 0.48 -0.67 0.15 -0.57 0.00 0.00 179.45 179.13 2hwm s LYS 10 N -4.02 1.15 0.64 3.15 1.02 -1.26 -5.14 119.74 115.27 2hwm s LYS 10 Ca -0.03 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 54.25 2hwm s LYS 10 Cb 0.14 -0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 37.06 2hwm s LYS 10 CO 0.74 -0.10 1.13 -1.25 -0.92 0.00 0.00 175.35 174.95 2hwm s PRO 11 N -3.89 2.85 0.18 -1.68 0.04 -1.26 -4.72 135.00 126.52 2hwm s PRO 11 Ca 0.24 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 2hwm s PRO 11 Cb 0.06 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2hwm s PRO 11 CO 0.05 -1.23 0.10 0.14 0.04 0.00 0.00 177.00 176.10 2hwm s VAL 12 N -2.12 0.05 -0.09 -0.36 -7.23 0.80 -3.67 120.40 107.77 2hwm s VAL 12 Ca 0.70 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2hwm s VAL 12 Cb -0.23 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2hwm s VAL 12 CO 0.38 -0.15 0.02 -0.76 -0.31 0.00 0.00 175.10 174.28 2hwm s LEU 13 N -3.13 3.68 -0.47 1.32 1.43 0.67 -1.09 118.68 121.09 2hwm s LEU 13 Ca 0.34 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.50 2hwm s LEU 13 Cb 0.07 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.54 2hwm s LEU 13 CO 0.09 0.38 0.37 -0.76 0.23 0.00 0.00 176.35 176.66 2hwm s LEU 14 N -0.90 5.62 -0.24 1.79 1.43 -1.26 -0.53 118.68 124.58 2hwm s LEU 14 Ca 0.13 -1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 51.44 2hwm s LEU 14 Cb -0.11 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 2hwm s LEU 14 CO 0.02 -0.67 0.73 -0.47 0.23 0.00 0.00 176.35 176.20 2hwm s TYR 15 N 1.52 3.31 -0.24 0.29 5.04 -0.29 -1.22 117.35 125.76 2hwm s TYR 15 Ca 0.04 0.99 -0.20 0.00 -2.44 0.00 0.00 57.07 55.46 2hwm s TYR 15 Cb -0.25 -2.94 -0.02 0.00 0.35 0.00 0.00 41.96 39.10 2hwm s TYR 15 CO 0.03 -0.34 0.60 0.00 -1.34 0.00 0.00 175.55 174.50 2hwm n SER 17 N 5.49 0.01 0.18 0.00 3.41 -0.74 -0.81 113.62 121.16 2hwm n SER 17 Ca -0.02 0.50 -0.14 0.00 -0.26 0.00 0.00 58.87 58.96 2hwm n SER 17 Cb 0.49 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 2hwm n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2hwm h ASN 18 N 0.00 -0.37 0.00 4.04 -1.24 -1.79 -3.36 115.58 112.86 2hwm h ASN 18 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2hwm h ASN 18 Cb 0.27 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2hwm h ASN 18 CO 0.00 -0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.66 2hwm n GLY 19 N -0.67 -0.25 2.03 1.57 0.00 -1.24 -4.80 105.19 101.83 2hwm n GLY 19 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2hwm n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hwm n GLY 20 N -0.12 0.45 3.87 -0.02 0.00 0.01 -5.01 105.19 104.37 2hwm n GLY 20 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 2hwm n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hwm s HIS 21 N -2.01 3.41 -0.09 1.61 3.76 -1.19 -4.72 115.29 116.07 2hwm s HIS 21 Ca 0.00 1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 55.82 2hwm s HIS 21 Cb 0.00 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2hwm s HIS 21 CO 0.00 0.12 0.30 -0.06 -0.85 0.00 0.00 174.74 174.24 2hwm s PHE 22 N -2.02 3.60 0.20 1.40 0.08 0.33 -0.31 117.98 121.27 2hwm s PHE 22 Ca 0.51 0.73 -0.31 0.00 0.12 0.00 0.00 56.93 57.98 2hwm s PHE 22 Cb -0.11 -2.21 -0.10 0.00 -0.57 0.00 0.00 43.02 40.03 2hwm s PHE 22 CO 0.22 0.54 1.56 -1.17 -0.10 0.00 0.00 175.22 176.27 2hwm s LEU 23 N -0.55 4.37 -0.03 -0.37 2.96 -0.36 -1.65 118.68 123.05 2hwm s LEU 23 Ca 0.19 2.70 0.04 0.00 -0.22 0.00 0.00 54.13 56.84 2hwm s LEU 23 Cb -0.14 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 2hwm s LEU 23 CO 0.08 -0.83 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.53 2hwm s ARG 24 N 0.60 1.50 -0.34 1.98 3.52 1.00 -4.46 118.95 122.75 2hwm s ARG 24 Ca 0.67 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 2hwm s ARG 24 Cb -0.45 -1.36 0.09 0.00 -1.56 0.00 0.00 34.95 31.68 2hwm s ARG 24 CO 0.36 0.25 0.05 0.42 -0.81 0.00 0.00 175.30 175.57 2hwm s ILE 25 N -0.05 2.47 0.77 4.11 1.01 -0.89 -1.60 121.20 127.02 2hwm s ILE 25 Ca -0.01 -2.14 -0.11 0.00 0.00 0.00 0.00 60.65 58.39 2hwm s ILE 25 Cb -0.09 -2.72 0.05 0.00 0.01 0.00 0.00 42.46 39.70 2hwm s ILE 25 CO 0.01 -0.50 1.08 -0.76 0.00 0.00 0.00 174.94 174.77 2hwm s LEU 26 N 0.99 2.95 0.38 2.97 1.43 0.45 -4.84 118.68 123.01 2hwm s LEU 26 Ca 0.07 1.71 0.09 0.00 -1.03 0.00 0.00 54.13 54.96 2hwm s LEU 26 Cb -0.20 -4.42 0.84 0.00 0.03 0.00 0.00 46.19 42.45 2hwm s LEU 26 CO -0.07 -1.95 1.94 -0.65 0.23 0.00 0.00 176.35 175.86 2hwm h PRO 27 N -1.07 0.62 0.00 1.29 0.11 -1.98 -0.77 132.00 130.20 2hwm h PRO 27 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hwm h PRO 27 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2hwm h PRO 27 CO 0.53 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 2hwm n ASP 28 N -4.49 0.00 0.00 -2.05 5.75 -1.26 -4.83 116.55 109.66 2hwm n ASP 28 Ca 0.12 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2hwm n ASP 28 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2hwm n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hwm n GLY 29 N 0.58 0.79 3.77 6.12 0.00 -0.29 -4.97 105.19 111.18 2hwm n GLY 29 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2hwm n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwm s THR 30 N -2.61 3.39 -0.07 2.61 2.01 -1.25 -0.88 115.64 118.83 2hwm s THR 30 Ca 0.00 1.29 0.05 0.00 0.31 0.00 0.00 61.69 63.34 2hwm s THR 30 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2hwm s THR 30 CO 0.00 0.23 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.24 2hwm s VAL 31 N -1.29 2.24 0.00 3.82 1.01 -1.26 -0.41 120.40 124.51 2hwm s VAL 31 Ca 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2hwm s VAL 31 Cb -0.31 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2hwm s VAL 31 CO 0.39 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 175.16 2hwm n ASP 32 N 3.09 0.00 -4.13 3.32 5.75 -0.62 -4.56 116.55 119.40 2hwm n ASP 32 Ca -0.18 -0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.45 2hwm n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2hwm n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hwm s GLY 33 N -0.12 0.70 0.01 6.12 0.00 0.50 -0.00 107.32 114.53 2hwm s GLY 33 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2hwm s GLY 33 CO 0.00 -1.13 0.06 -1.08 0.00 0.00 0.00 173.10 170.95 2hwm s THR 34 N -2.26 0.09 -1.27 0.90 -1.32 -0.66 -4.80 115.64 106.33 2hwm s THR 34 Ca 0.01 -0.78 0.25 0.00 -1.21 0.00 0.00 61.69 59.96 2hwm s THR 34 Cb -0.04 -0.34 0.09 0.00 -1.51 0.00 0.00 72.50 70.69 2hwm s THR 34 CO -0.01 -0.43 1.45 0.54 -2.21 0.00 0.00 174.62 173.96 2hwm n ARG 35 N 1.55 0.30 -2.28 7.08 1.74 -1.26 -0.51 116.66 123.27 2hwm n ARG 35 Ca -0.23 -0.18 -0.41 0.00 -0.77 0.00 0.00 57.85 56.27 2hwm n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 2hwm n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hwm s ASP 36 N -2.83 5.86 0.14 0.55 2.15 -1.26 -4.85 116.67 116.44 2hwm s ASP 36 Ca 0.15 0.27 0.18 0.00 0.43 0.00 0.00 52.55 53.58 2hwm s ASP 36 Cb 0.18 -2.54 0.77 0.00 -0.30 0.00 0.00 42.92 41.03 2hwm s ASP 36 CO 0.64 -1.93 1.55 -1.14 -0.17 0.00 0.00 175.17 174.13 2hwm n ARG 37 N 8.91 0.10 0.00 4.34 0.63 -1.26 -2.21 116.66 127.17 2hwm n ARG 37 Ca 0.14 0.38 0.12 0.00 -0.92 0.00 0.00 57.85 57.58 2hwm n ARG 37 Cb 0.50 -1.70 0.33 0.00 0.45 0.00 0.00 32.46 32.04 2hwm n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2hwm n SER 38 N -1.89 0.48 -4.66 6.15 3.41 -1.26 -4.92 113.62 110.93 2hwm n SER 38 Ca 0.02 -0.22 -0.45 0.00 -0.26 0.00 0.00 58.87 57.96 2hwm n SER 38 Cb 0.17 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 2hwm n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hwm n ASP 39 N -1.39 2.54 -0.19 4.04 -0.08 -0.94 -4.88 116.55 115.65 2hwm n ASP 39 Ca 0.07 1.15 0.15 0.00 -1.51 0.00 0.00 54.79 54.64 2hwm n ASP 39 Cb 0.33 -1.40 0.67 0.00 2.34 0.00 0.00 41.12 43.06 2hwm n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hwm n GLN 40 N 1.83 1.03 -0.48 -0.67 1.13 -1.26 -3.79 117.38 115.17 2hwm n GLN 40 Ca 0.11 -0.38 0.08 0.00 -1.94 0.00 0.00 57.00 54.88 2hwm n GLN 40 Cb 0.31 -1.49 0.27 0.00 0.11 0.00 0.00 30.24 29.44 2hwm n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hwm n HIS 41 N -0.65 1.06 0.55 1.08 8.25 -1.26 -4.35 115.22 119.90 2hwm n HIS 41 Ca 0.18 -0.80 0.06 0.00 -0.26 0.00 0.00 57.72 56.90 2hwm n HIS 41 Cb 0.26 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 31.07 2hwm n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2hwm n ILE 42 N -0.15 0.00 -2.66 1.59 -5.35 -1.25 -2.10 119.36 109.44 2hwm n ILE 42 Ca 0.21 -0.39 -0.43 0.00 -0.27 0.00 0.00 62.75 61.87 2hwm n ILE 42 Cb 0.88 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.92 2hwm n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hwm s GLN 43 N -1.49 4.17 0.05 6.28 1.11 -1.26 -4.48 119.66 124.04 2hwm s GLN 43 Ca 0.11 1.22 0.09 0.00 0.01 0.00 0.00 55.36 56.79 2hwm s GLN 43 Cb 0.10 -3.68 -0.03 0.00 -1.01 0.00 0.00 33.01 28.39 2hwm s GLN 43 CO 0.29 -0.75 -0.26 -0.51 0.01 0.00 0.00 175.29 174.07 2hwm s LEU 44 N 3.40 2.18 -0.23 2.90 1.43 -0.25 -1.72 118.68 126.39 2hwm s LEU 44 Ca 0.44 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2hwm s LEU 44 Cb -0.14 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.86 2hwm s LEU 44 CO 0.10 0.24 -0.08 -1.58 0.23 0.00 0.00 176.35 175.27 2hwm s GLN 45 N -1.31 2.95 0.33 1.70 2.00 0.19 -0.14 119.66 125.37 2hwm s GLN 45 Ca 0.11 -0.90 -0.08 0.00 -2.00 0.00 0.00 55.36 52.50 2hwm s GLN 45 Cb -0.10 -2.94 -0.06 0.00 0.80 0.00 0.00 33.01 30.72 2hwm s GLN 45 CO 0.02 -0.34 0.64 -0.51 -0.50 0.00 0.00 175.29 174.61 2hwm s LEU 46 N 1.35 3.98 0.00 3.68 1.02 -1.26 -1.25 118.68 126.20 2hwm s LEU 46 Ca 0.02 0.92 -0.13 0.00 0.02 0.00 0.00 54.13 54.95 2hwm s LEU 46 Cb -0.16 -3.75 0.02 0.00 0.02 0.00 0.00 46.19 42.32 2hwm s LEU 46 CO -0.05 -0.26 0.28 -0.94 0.02 0.00 0.00 176.35 175.39 2hwm s SER 47 N -3.05 -0.14 0.03 2.29 1.04 -0.85 -4.83 113.70 108.20 2hwm s SER 47 Ca 0.47 -0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.86 2hwm s SER 47 Cb -0.11 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2hwm s SER 47 CO 0.29 -0.47 0.22 0.00 0.98 0.00 0.00 173.24 174.26 2hwm s ALA 48 N -1.61 3.94 0.00 5.32 0.00 -1.26 -0.79 121.76 127.36 2hwm s ALA 48 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2hwm s ALA 48 Cb -0.05 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2hwm s ALA 48 CO 0.02 0.75 0.00 -1.91 0.00 0.00 0.00 175.76 174.62 2hwm n GLU 49 N 0.67 0.00 -2.32 0.00 4.07 -0.72 -4.93 120.64 117.40 2hwm n GLU 49 Ca -0.08 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.77 2hwm n GLU 49 Cb 0.52 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.97 2hwm n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2hwm s SER 50 N -0.28 4.78 0.21 4.31 0.01 -1.26 -4.93 113.70 116.53 2hwm s SER 50 Ca 0.00 0.27 -0.32 0.00 1.31 0.00 0.00 55.95 57.20 2hwm s SER 50 Cb 0.00 -0.91 -0.13 0.00 0.21 0.00 0.00 66.02 65.19 2hwm s SER 50 CO 0.00 -1.58 1.57 0.52 0.41 0.00 0.00 173.24 174.16 2hwm n VAL 51 N -2.83 0.34 -1.00 3.43 0.31 -1.26 -1.36 118.33 115.96 2hwm n VAL 51 Ca 0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hwm n VAL 51 Cb 0.60 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2hwm n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hwm n GLY 52 N 3.09 0.90 3.46 2.92 0.00 -1.26 -5.02 105.19 109.28 2hwm n GLY 52 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2hwm n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hwm s GLU 53 N -0.01 3.19 0.08 1.61 2.02 -0.47 -1.24 118.70 123.88 2hwm s GLU 53 Ca 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2hwm s GLU 53 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 2hwm s GLU 53 CO 0.00 0.37 -0.06 0.14 0.02 0.00 0.00 175.26 175.73 2hwm s VAL 54 N -0.04 0.59 0.08 2.63 -7.23 0.23 -1.76 120.40 114.89 2hwm s VAL 54 Ca -0.01 -1.71 0.05 0.00 -1.81 0.00 0.00 61.98 58.49 2hwm s VAL 54 Cb -0.14 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2hwm s VAL 54 CO 0.03 -0.77 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.72 2hwm s TYR 55 N -3.12 2.96 -0.24 2.82 2.02 0.03 -1.11 117.35 120.72 2hwm s TYR 55 Ca 0.06 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2hwm s TYR 55 Cb 0.02 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 2hwm s TYR 55 CO -0.04 0.46 -0.08 0.42 -1.57 0.00 0.00 175.55 174.75 2hwm s ILE 56 N -1.25 1.72 -0.08 2.71 1.01 -1.26 -2.00 121.20 122.05 2hwm s ILE 56 Ca 0.24 -1.30 0.02 0.00 0.00 0.00 0.00 60.65 59.61 2hwm s ILE 56 Cb -0.12 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 2hwm s ILE 56 CO 0.16 -0.04 -0.14 -0.75 0.00 0.00 0.00 174.94 174.17 2hwm s LYS 57 N 1.31 2.87 -0.11 2.79 2.20 -0.38 -0.50 119.74 127.93 2hwm s LYS 57 Ca -0.06 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 2hwm s LYS 57 Cb -0.19 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2hwm s LYS 57 CO -0.06 0.45 1.46 0.45 -0.36 0.00 0.00 175.35 177.29 2hwm s SER 58 N -0.27 6.80 0.42 1.43 0.15 -0.03 0.52 113.70 122.73 2hwm s SER 58 Ca 0.02 1.96 0.23 0.00 0.70 0.00 0.00 55.95 58.86 2hwm s SER 58 Cb -0.13 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.42 2hwm s SER 58 CO 0.03 -0.85 1.76 0.71 1.20 0.00 0.00 173.24 176.09 2hwm h THR 59 N 5.54 0.52 0.21 6.45 1.35 -1.67 0.63 112.91 125.95 2hwm h THR 59 Ca -0.33 -1.23 -0.32 0.00 -0.55 0.00 0.00 66.41 63.98 2hwm h THR 59 Cb 1.14 1.87 0.03 0.00 -1.73 0.00 0.00 68.15 69.45 2hwm h THR 59 CO 0.96 0.23 -1.40 -0.08 -0.25 0.00 0.00 175.52 174.98 2hwm h GLU 60 N 0.00 0.46 0.00 4.72 4.57 -1.80 -3.39 114.58 119.14 2hwm h GLU 60 Ca -0.00 -0.78 -0.01 0.00 -1.18 0.00 0.00 59.36 57.40 2hwm h GLU 60 Cb 0.85 0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2hwm h GLU 60 CO 0.03 1.37 -1.43 0.25 -1.18 0.00 0.00 179.01 178.05 2hwm n THR 61 N -3.66 0.02 -0.72 0.32 -2.24 -1.24 -5.01 114.28 101.75 2hwm n THR 61 Ca -0.14 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2hwm n THR 61 Cb 1.08 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2hwm n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hwm n GLY 62 N 1.99 0.94 3.82 3.38 0.00 0.21 -5.03 105.19 110.51 2hwm n GLY 62 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2hwm n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwm s GLN 63 N -0.24 3.61 -0.01 1.61 -0.21 -1.26 -4.74 119.66 118.42 2hwm s GLN 63 Ca 0.00 1.08 0.01 0.00 0.02 0.00 0.00 55.36 56.47 2hwm s GLN 63 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 2hwm s GLN 63 CO 0.00 -0.56 0.01 0.71 -2.12 0.00 0.00 175.29 173.33 2hwm s TYR 64 N -2.54 3.10 0.26 0.91 1.51 0.07 -0.85 117.35 119.80 2hwm s TYR 64 Ca 0.61 0.10 -0.29 0.00 -1.01 0.00 0.00 57.07 56.48 2hwm s TYR 64 Cb -0.13 -1.69 -0.09 0.00 -0.11 0.00 0.00 41.96 39.94 2hwm s TYR 64 CO 0.35 0.47 1.26 -1.17 -1.11 0.00 0.00 175.55 175.34 2hwm s LEU 65 N -1.52 4.45 0.02 -1.29 2.96 0.35 -0.04 118.68 123.62 2hwm s LEU 65 Ca 0.19 2.46 -0.03 0.00 -0.22 0.00 0.00 54.13 56.53 2hwm s LEU 65 Cb -0.12 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 2hwm s LEU 65 CO 0.10 -0.44 0.04 0.00 -1.32 0.00 0.00 176.35 174.73 2hwm s ALA 66 N -0.60 -0.01 -0.13 5.97 0.00 -0.16 -4.32 121.76 122.52 2hwm s ALA 66 Ca 0.51 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2hwm s ALA 66 Cb -0.36 0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2hwm s ALA 66 CO 0.44 -0.21 -0.18 1.41 0.00 0.00 0.00 175.76 177.21 2hwm s MET 67 N -1.79 2.59 0.81 0.00 1.75 -0.47 -1.07 119.30 121.13 2hwm s MET 67 Ca -0.12 -0.70 -0.09 0.00 -1.25 0.00 0.00 55.69 53.53 2hwm s MET 67 Cb -0.07 -2.16 0.18 0.00 2.84 0.00 0.00 34.83 35.62 2hwm s MET 67 CO -0.01 -0.06 1.11 -0.40 -0.65 0.00 0.00 175.02 175.01 2hwm n ASP 68 N 4.19 0.58 0.00 1.11 5.68 -0.32 -4.80 116.55 122.99 2hwm n ASP 68 Ca -0.19 -1.70 0.08 0.00 -0.50 0.00 0.00 54.79 52.47 2hwm n ASP 68 Cb 0.51 -0.80 0.39 0.00 -1.14 0.00 0.00 41.12 40.09 2hwm n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2hwm n THR 69 N -3.31 0.64 0.60 2.12 -2.24 -1.26 -0.84 114.28 109.99 2hwm n THR 69 Ca 0.15 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 2hwm n THR 69 Cb 0.54 -0.89 0.20 0.00 -2.10 0.00 0.00 70.33 68.08 2hwm n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hwm n ASP 70 N -1.35 3.19 0.00 3.42 8.00 -1.26 -4.95 116.55 123.59 2hwm n ASP 70 Ca 0.07 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.59 2hwm n ASP 70 Cb 0.15 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2hwm n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hwm n GLY 71 N 1.44 0.55 3.88 0.44 0.00 -0.02 -4.62 105.19 106.85 2hwm n GLY 71 Ca 0.18 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2hwm n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwm s LEU 72 N 0.00 4.33 0.28 0.99 1.02 -1.26 0.02 118.68 124.06 2hwm s LEU 72 Ca 0.00 0.67 -0.14 0.00 0.02 0.00 0.00 54.13 54.68 2hwm s LEU 72 Cb 0.00 -3.02 -0.08 0.00 0.02 0.00 0.00 46.19 43.11 2hwm s LEU 72 CO 0.00 0.15 0.67 -0.76 0.02 0.00 0.00 176.35 176.43 2hwm s LEU 73 N -2.12 4.13 0.18 1.79 1.43 -1.26 -1.17 118.68 121.67 2hwm s LEU 73 Ca 0.34 1.18 -0.20 0.00 -1.03 0.00 0.00 54.13 54.42 2hwm s LEU 73 Cb -0.13 -3.88 0.05 0.00 0.03 0.00 0.00 46.19 42.26 2hwm s LEU 73 CO 0.20 -0.13 0.58 -0.72 0.23 0.00 0.00 176.35 176.50 2hwm s TYR 74 N -1.86 -0.34 -0.21 0.29 1.13 -0.23 -4.52 117.35 111.62 2hwm s TYR 74 Ca 0.50 0.04 -0.19 0.00 -1.41 0.00 0.00 57.07 56.02 2hwm s TYR 74 Cb -0.11 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.22 2hwm s TYR 74 CO 0.19 -0.91 0.54 0.20 -2.51 0.00 0.00 175.55 173.06 2hwm s GLY 75 N -2.81 2.04 -0.05 5.49 0.00 -0.06 -0.98 107.32 110.94 2hwm s GLY 75 Ca 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 2hwm s GLY 75 CO -0.07 1.15 0.16 -0.45 0.00 0.00 0.00 173.10 173.89 2hwm s SER 76 N 1.21 6.30 0.43 1.64 0.15 0.95 -4.78 113.70 119.60 2hwm s SER 76 Ca 0.25 0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.50 2hwm s SER 76 Cb -0.16 -1.98 0.87 0.00 -1.71 0.00 0.00 66.02 63.04 2hwm s SER 76 CO 0.10 0.31 1.80 1.56 1.20 0.00 0.00 173.24 178.21 2hwm h GLN 77 N 4.23 0.00 -5.64 5.44 1.08 -1.92 0.22 115.11 118.52 2hwm h GLN 77 Ca -0.51 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.23 2hwm h GLN 77 Cb 1.20 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.43 2hwm h GLN 77 CO 0.65 0.24 -0.79 0.95 -0.95 0.00 0.00 178.83 178.93 2hwm s THR 78 N -3.62 1.39 -1.25 -0.54 -4.23 -1.26 -4.80 115.64 101.32 2hwm s THR 78 Ca 0.01 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 2hwm s THR 78 Cb 0.10 -1.38 0.15 0.00 1.34 0.00 0.00 72.50 72.71 2hwm s THR 78 CO 0.64 -0.23 1.64 -0.81 -0.54 0.00 0.00 174.62 175.32 2hwm n PRO 79 N 0.96 3.40 -1.14 3.99 -0.04 -1.26 -4.76 135.00 136.15 2hwm n PRO 79 Ca -0.19 -3.63 0.00 0.00 -0.04 0.00 0.00 63.50 59.64 2hwm n PRO 79 Cb 0.55 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 2hwm n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hwm n ASN 80 N 5.41 0.34 0.19 3.54 0.23 -1.26 -4.93 115.26 118.77 2hwm n ASN 80 Ca 0.40 -0.98 0.17 0.00 -0.53 0.00 0.00 54.58 53.64 2hwm n ASN 80 Cb 0.41 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 38.92 2hwm n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2hwm h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 0.42 114.58 113.29 2hwm h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2hwm h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hwm h GLU 81 CO 0.00 0.00 -0.03 0.39 0.07 0.00 0.00 179.01 179.44 2hwm n GLU 82 N -3.82 0.90 0.00 1.06 1.02 -1.26 -3.53 120.64 115.02 2hwm n GLU 82 Ca 0.02 -0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2hwm n GLU 82 Cb 0.36 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2hwm n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hwm s LEU 84 N -1.41 4.28 0.08 0.00 1.43 -1.23 -4.43 118.68 117.40 2hwm s LEU 84 Ca 0.17 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2hwm s LEU 84 Cb 0.13 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2hwm s LEU 84 CO 0.23 -0.04 -0.22 -0.36 0.23 0.00 0.00 176.35 176.18 2hwm s PHE 85 N 0.73 1.93 -0.37 0.29 0.40 -0.27 -1.16 117.98 119.53 2hwm s PHE 85 Ca 0.29 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 56.02 2hwm s PHE 85 Cb -0.16 -1.10 0.01 0.00 0.51 0.00 0.00 43.02 42.28 2hwm s PHE 85 CO 0.12 0.18 0.67 -0.51 0.70 0.00 0.00 175.22 176.38 2hwm s LEU 86 N -1.60 4.25 -0.26 -0.37 1.43 0.16 -0.60 118.68 121.69 2hwm s LEU 86 Ca 0.08 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2hwm s LEU 86 Cb -0.10 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2hwm s LEU 86 CO 0.03 -0.65 0.46 -0.70 0.23 0.00 0.00 176.35 175.73 2hwm s GLU 87 N 2.82 4.05 0.09 1.70 2.12 -0.37 -1.45 118.70 127.65 2hwm s GLU 87 Ca 0.26 0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.85 2hwm s GLU 87 Cb -0.14 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 2hwm s GLU 87 CO 0.16 -0.32 -0.11 1.03 -0.54 0.00 0.00 175.26 175.48 2hwm s ARG 88 N 2.20 0.82 0.39 4.30 1.81 -0.47 -4.70 118.95 123.30 2hwm s ARG 88 Ca 0.19 -1.09 -0.24 0.00 -1.72 0.00 0.00 55.73 52.87 2hwm s ARG 88 Cb -0.16 -0.59 -0.09 0.00 -0.45 0.00 0.00 34.95 33.66 2hwm s ARG 88 CO 0.09 0.10 1.01 -1.17 -0.68 0.00 0.00 175.30 174.66 2hwm s LEU 89 N -2.24 4.15 -0.03 2.53 2.96 -0.18 -0.56 118.68 125.32 2hwm s LEU 89 Ca 0.03 1.94 -0.04 0.00 -0.22 0.00 0.00 54.13 55.85 2hwm s LEU 89 Cb -0.05 -4.20 0.01 0.00 0.50 0.00 0.00 46.19 42.44 2hwm s LEU 89 CO 0.01 -0.39 0.09 -0.70 -1.32 0.00 0.00 176.35 174.04 2hwm s GLU 90 N -2.51 0.19 -1.38 1.98 2.56 0.33 -4.82 118.70 115.06 2hwm s GLU 90 Ca 0.57 -0.01 -0.11 0.00 0.00 0.00 0.00 54.97 55.43 2hwm s GLU 90 Cb -0.19 0.08 0.08 0.00 2.00 0.00 0.00 34.13 36.10 2hwm s GLU 90 CO 0.25 -0.03 0.59 0.39 -0.56 0.00 0.00 175.26 175.89 2hwm n GLU 91 N 2.67 -3.70 -2.72 4.30 1.02 -1.26 -0.84 120.64 120.11 2hwm n GLU 91 Ca -0.15 0.50 -0.17 0.00 -0.02 0.00 0.00 57.16 57.32 2hwm n GLU 91 Cb 0.58 -5.24 -0.00 0.00 -0.02 0.00 0.00 31.44 26.76 2hwm n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hwm n ASN 92 N -2.41 -4.34 0.01 1.62 4.13 -1.26 -4.60 115.26 108.42 2hwm n ASN 92 Ca -0.00 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2hwm n ASN 92 Cb 0.54 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 2hwm n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2hwm n HIS 93 N -3.72 -2.49 -2.32 3.10 -0.00 -0.20 -5.16 115.22 104.44 2hwm n HIS 93 Ca -0.12 0.08 -0.25 0.00 -0.00 0.00 0.00 57.72 57.42 2hwm n HIS 93 Cb 0.60 0.65 0.05 0.00 -0.00 0.00 0.00 29.99 31.30 2hwm n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2hwm s TYR 94 N -2.00 2.99 -0.12 1.57 2.02 -0.02 -4.81 117.35 116.98 2hwm s TYR 94 Ca 0.00 0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 57.07 2hwm s TYR 94 Cb 0.00 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 2hwm s TYR 94 CO 0.00 -1.18 0.05 -0.80 -1.57 0.00 0.00 175.55 172.04 2hwm s ASN 95 N -4.45 5.59 0.22 2.29 -0.87 0.55 -0.51 114.94 117.76 2hwm s ASN 95 Ca 0.58 0.20 0.11 0.00 -1.57 0.00 0.00 52.86 52.19 2hwm s ASN 95 Cb -0.11 -1.73 -0.05 0.00 -0.02 0.00 0.00 41.25 39.34 2hwm s ASN 95 CO 0.44 0.34 -0.22 0.42 -2.57 0.00 0.00 177.10 175.51 2hwm s THR 96 N -0.62 2.45 -0.21 1.60 -4.23 0.27 -0.94 115.64 113.95 2hwm s THR 96 Ca 0.11 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2hwm s THR 96 Cb -0.12 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.57 2hwm s THR 96 CO 0.02 -0.22 0.01 -0.31 -0.54 0.00 0.00 174.62 173.58 2hwm s TYR 97 N -1.98 1.49 -0.16 3.99 2.02 -1.26 -1.37 117.35 120.08 2hwm s TYR 97 Ca 0.24 -1.18 -0.08 0.00 -0.37 0.00 0.00 57.07 55.68 2hwm s TYR 97 Cb -0.07 -1.23 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 2hwm s TYR 97 CO 0.12 -0.67 0.13 0.42 -1.57 0.00 0.00 175.55 173.97 2hwm s ILE 98 N 1.70 5.38 0.02 2.71 1.01 -0.53 -1.19 121.20 130.30 2hwm s ILE 98 Ca -0.02 0.17 -0.33 0.00 0.00 0.00 0.00 60.65 60.47 2hwm s ILE 98 Cb -0.18 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 2hwm s ILE 98 CO -0.08 0.52 1.81 -0.24 0.00 0.00 0.00 174.94 176.94 2hwm n SER 99 N 2.89 3.54 -0.15 3.58 2.88 -0.48 0.39 113.62 126.26 2hwm n SER 99 Ca -0.18 1.00 -0.11 0.00 -1.33 0.00 0.00 58.87 58.25 2hwm n SER 99 Cb 0.53 -1.43 -0.01 0.00 -0.75 0.00 0.00 64.21 62.55 2hwm n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hwm h LYS 100 N 8.41 0.85 -0.32 -1.46 3.64 -1.46 0.47 116.57 126.71 2hwm h LYS 100 Ca -0.47 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 58.56 2hwm h LYS 100 Cb 1.26 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2hwm h LYS 100 CO 0.93 0.95 0.08 -0.22 -2.27 0.00 0.00 179.45 178.92 2hwm h LYS 101 N 0.69 0.46 -0.37 1.90 3.64 -1.76 -2.42 116.57 118.71 2hwm h LYS 101 Ca 0.12 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.24 2hwm h LYS 101 Cb 0.62 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.24 2hwm h LYS 101 CO 0.04 0.43 -0.05 0.72 -2.27 0.00 0.00 179.45 178.32 2hwm n HIS 102 N -4.36 1.16 -0.19 1.91 8.25 -1.14 -4.76 115.22 116.08 2hwm n HIS 102 Ca 0.02 -1.58 0.08 0.00 -0.26 0.00 0.00 57.72 55.98 2hwm n HIS 102 Cb 0.17 -0.50 0.37 0.00 1.12 0.00 0.00 29.99 31.15 2hwm n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hwm h ALA 103 N 1.04 1.75 0.00 -1.41 0.00 -0.37 -0.74 119.26 119.54 2hwm h ALA 103 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2hwm h ALA 103 Cb 1.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2hwm h ALA 103 CO 0.41 0.11 0.00 1.49 0.00 0.00 0.00 179.25 181.26 2hwm h GLU 104 N 0.72 0.00 -0.01 0.00 4.81 -1.85 -2.19 114.58 116.06 2hwm h GLU 104 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2hwm h GLU 104 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2hwm h GLU 104 CO -0.12 0.00 -0.28 1.63 -0.73 0.00 0.00 179.01 179.51 2hwm n LYS 105 N -2.48 1.02 -3.59 1.92 5.02 -0.29 -4.96 118.16 114.80 2hwm n LYS 105 Ca 0.01 -0.68 -0.20 0.00 -2.02 0.00 0.00 58.31 55.43 2hwm n LYS 105 Cb 0.22 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 2hwm n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hwm n ASN 106 N -0.40 -1.65 -4.61 4.39 4.13 -0.82 -4.96 115.26 111.34 2hwm n ASN 106 Ca 0.12 -0.73 -0.39 0.00 1.68 0.00 0.00 54.58 55.26 2hwm n ASN 106 Cb 0.38 -4.51 -0.09 0.00 -1.54 0.00 0.00 39.78 34.01 2hwm n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2hwm s TRP 107 N -3.53 3.25 0.20 3.10 0.51 -1.25 -4.53 118.94 116.70 2hwm s TRP 107 Ca 0.02 0.35 0.07 0.00 -2.12 0.00 0.00 56.10 54.42 2hwm s TRP 107 Cb -0.01 -2.51 -0.04 0.00 -0.81 0.00 0.00 33.47 30.10 2hwm s TRP 107 CO 0.78 -0.18 0.06 -0.06 -0.51 0.00 0.00 176.95 177.03 2hwm s PHE 108 N 1.89 2.92 0.06 -1.98 0.40 -1.26 -1.38 117.98 118.63 2hwm s PHE 108 Ca 0.13 -0.12 -0.31 0.00 -0.60 0.00 0.00 56.93 56.03 2hwm s PHE 108 Cb -0.16 -1.38 -0.06 0.00 0.51 0.00 0.00 43.02 41.94 2hwm s PHE 108 CO 0.10 0.54 1.20 0.08 0.70 0.00 0.00 175.22 177.83 2hwm s VAL 109 N -1.89 4.04 0.03 -0.44 1.01 -0.33 -4.41 120.40 118.40 2hwm s VAL 109 Ca 0.30 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.50 2hwm s VAL 109 Cb -0.09 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.41 2hwm s VAL 109 CO 0.21 0.12 0.57 -0.83 0.00 0.00 0.00 175.10 175.16 2hwm s GLY 110 N 1.05 -0.48 -0.04 4.51 0.00 -1.26 -4.45 107.32 106.64 2hwm s GLY 110 Ca 0.59 0.78 0.06 0.00 0.00 0.00 0.00 44.72 46.14 2hwm s GLY 110 CO 0.29 0.46 -0.22 1.08 0.00 0.00 0.00 173.10 174.72 2hwm s LEU 111 N -1.83 2.01 0.90 0.66 1.43 -0.64 -1.09 118.68 120.12 2hwm s LEU 111 Ca -0.06 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 2hwm s LEU 111 Cb -0.01 -1.18 0.13 0.00 0.03 0.00 0.00 46.19 45.17 2hwm s LEU 111 CO 0.00 0.22 1.15 -0.54 0.23 0.00 0.00 176.35 177.41 2hwm s LYS 112 N -0.16 1.22 0.45 1.70 1.02 0.12 -4.43 119.74 119.66 2hwm s LYS 112 Ca -0.01 0.21 0.12 0.00 0.02 0.00 0.00 55.97 56.31 2hwm s LYS 112 Cb -0.12 -1.86 1.02 0.00 -0.52 0.00 0.00 37.83 36.36 2hwm s LYS 112 CO 0.02 -2.13 2.07 0.87 -0.92 0.00 0.00 175.35 175.26 2hwm h LYS 113 N -1.44 0.24 -0.00 1.68 1.57 -1.87 -1.18 116.57 115.56 2hwm h LYS 113 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2hwm h LYS 113 Cb 1.33 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2hwm h LYS 113 CO 0.61 0.21 0.00 0.27 -0.57 0.00 0.00 179.45 179.97 2hwm n ASN 114 N -4.46 0.07 0.00 0.86 0.23 -1.26 -4.62 115.26 106.09 2hwm n ASN 114 Ca -0.00 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 2hwm n ASN 114 Cb 0.12 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2hwm n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hwm n GLY 115 N 0.97 0.90 3.89 4.83 0.00 -0.45 -4.99 105.19 110.34 2hwm n GLY 115 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2hwm n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hwm s SER 116 N -2.87 6.47 0.33 1.61 1.04 -1.26 -0.37 113.70 118.64 2hwm s SER 116 Ca 0.00 0.93 -0.29 0.00 0.48 0.00 0.00 55.95 57.07 2hwm s SER 116 Cb 0.00 -2.24 -0.10 0.00 0.10 0.00 0.00 66.02 63.78 2hwm s SER 116 CO 0.00 -0.32 1.32 -0.69 0.98 0.00 0.00 173.24 174.53 2hwm s VAL 117 N -2.28 2.69 -0.36 5.02 1.01 -1.26 0.13 120.40 125.35 2hwm s VAL 117 Ca 0.48 0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 2hwm s VAL 117 Cb -0.10 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2hwm s VAL 117 CO 0.32 0.16 0.34 -0.75 0.00 0.00 0.00 175.10 175.17 2hwm s LYS 118 N -1.68 3.41 0.61 2.72 2.20 -0.25 -4.73 119.74 122.03 2hwm s LYS 118 Ca 0.50 -0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 55.34 2hwm s LYS 118 Cb -0.40 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 2hwm s LYS 118 CO 0.52 -0.58 1.28 2.89 -0.36 0.00 0.00 175.35 179.10 2hwm n ARG 119 N 5.34 1.27 -0.37 4.03 1.85 -1.26 -4.25 116.66 123.27 2hwm n ARG 119 Ca -0.10 0.48 0.01 0.00 -1.00 0.00 0.00 57.85 57.24 2hwm n ARG 119 Cb 0.49 -2.51 0.07 0.00 -1.05 0.00 0.00 32.46 29.46 2hwm n ARG 119 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2hwm h GLY 120 N 0.80 0.25 2.00 2.89 0.00 -0.61 0.15 103.07 108.54 2hwm h GLY 120 Ca -0.51 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2hwm h GLY 120 CO 0.54 -0.25 0.00 -2.55 0.00 0.00 0.00 176.54 174.28 2hwm h PRO 121 N -0.01 0.00 -0.17 4.80 0.11 -1.83 -1.31 132.00 133.59 2hwm h PRO 121 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2hwm h PRO 121 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2hwm h PRO 121 CO -0.98 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.35 2hwm n ARG 122 N -2.59 2.35 -3.99 1.05 5.12 0.49 -4.93 116.66 114.16 2hwm n ARG 122 Ca -0.01 -2.05 -0.21 0.00 -1.93 0.00 0.00 57.85 53.65 2hwm n ARG 122 Cb 0.09 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 2hwm n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hwm s THR 123 N -1.76 5.01 -0.09 0.55 -4.23 -0.49 -4.92 115.64 109.70 2hwm s THR 123 Ca 0.32 -1.09 -0.32 0.00 -1.18 0.00 0.00 61.69 59.41 2hwm s THR 123 Cb 0.21 -3.73 0.12 0.00 1.34 0.00 0.00 72.50 70.44 2hwm s THR 123 CO 0.30 -0.33 1.07 -1.38 -0.54 0.00 0.00 174.62 173.74 2hwm s HIS 124 N -2.03 -0.22 0.55 3.99 -3.43 -1.26 -4.84 115.29 108.05 2hwm s HIS 124 Ca 0.34 0.12 -0.20 0.00 -0.80 0.00 0.00 55.06 54.51 2hwm s HIS 124 Cb -0.09 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.54 2hwm s HIS 124 CO 0.28 -0.38 1.10 0.66 -2.00 0.00 0.00 174.74 174.40 2hwm n TYR 125 N -0.19 1.35 0.00 0.38 4.01 -1.26 -2.80 117.16 118.64 2hwm n TYR 125 Ca -0.04 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 2hwm n TYR 125 Cb 0.60 -2.22 0.00 0.00 -0.31 0.00 0.00 39.34 37.41 2hwm n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hwm n GLY 126 N 1.10 1.81 3.87 2.72 0.00 -1.26 -5.07 105.19 108.36 2hwm n GLY 126 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2hwm n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwm s GLN 127 N -0.96 3.68 0.15 1.61 -0.21 -1.12 -4.99 119.66 117.81 2hwm s GLN 127 Ca 0.00 0.62 0.16 0.00 0.02 0.00 0.00 55.36 56.16 2hwm s GLN 127 Cb 0.00 -2.20 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 2hwm s GLN 127 CO 0.00 -0.35 1.06 0.87 -2.12 0.00 0.00 175.29 174.74 2hwm h LYS 128 N 0.26 0.00 0.00 2.91 1.79 -1.97 -3.34 116.57 116.22 2hwm h LYS 128 Ca -0.46 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 2hwm h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2hwm h LYS 128 CO 0.62 0.35 -0.04 0.00 -1.08 0.00 0.00 179.45 179.30 2hwm h ALA 129 N 1.48 1.39 -0.01 3.86 0.00 -1.95 -2.46 119.26 121.57 2hwm h ALA 129 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hwm h ALA 129 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2hwm h ALA 129 CO 0.05 0.05 -0.13 0.44 0.00 0.00 0.00 179.25 179.66 2hwm n ILE 130 N -3.71 0.00 -3.17 0.00 -5.35 -1.25 -1.61 119.36 104.26 2hwm n ILE 130 Ca -0.03 -0.21 -0.40 0.00 -0.27 0.00 0.00 62.75 61.85 2hwm n ILE 130 Cb 0.14 0.53 -0.07 0.00 -1.74 0.00 0.00 39.64 38.51 2hwm n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hwm s LEU 131 N -2.24 4.10 0.16 7.28 1.43 -0.93 -4.41 118.68 124.06 2hwm s LEU 131 Ca 0.31 0.68 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2hwm s LEU 131 Cb 0.20 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2hwm s LEU 131 CO 0.42 -0.29 -0.19 -0.36 0.23 0.00 0.00 176.35 176.17 2hwm s PHE 132 N 2.13 1.84 -0.08 0.29 0.40 -0.12 -1.80 117.98 120.65 2hwm s PHE 132 Ca 0.25 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2hwm s PHE 132 Cb -0.16 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.45 2hwm s PHE 132 CO 0.09 0.32 -0.13 -0.51 0.70 0.00 0.00 175.22 175.70 2hwm s LEU 133 N -2.54 1.62 -0.40 -0.37 1.43 0.31 -0.33 118.68 118.39 2hwm s LEU 133 Ca 0.14 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 2hwm s LEU 133 Cb -0.07 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.28 2hwm s LEU 133 CO 0.06 0.02 1.08 -2.16 0.23 0.00 0.00 176.35 175.58 2hwm s PRO 134 N 0.84 3.87 -0.12 1.29 0.04 -1.26 -1.14 135.00 138.52 2hwm s PRO 134 Ca -0.11 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 2hwm s PRO 134 Cb -0.15 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 2hwm s PRO 134 CO 0.01 -1.13 0.01 -0.51 0.04 0.00 0.00 177.00 175.43 2hwm s LEU 135 N 3.99 3.58 0.45 -3.56 1.43 0.31 -4.88 118.68 119.99 2hwm s LEU 135 Ca 0.45 0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 53.40 2hwm s LEU 135 Cb -0.10 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 2hwm s LEU 135 CO 0.23 0.30 1.21 -0.81 0.23 0.00 0.00 176.35 177.51 2hwm n PRO 136 N 2.69 1.72 0.00 1.29 -0.04 -1.26 -0.24 135.00 139.16 2hwm n PRO 136 Ca -0.18 0.62 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2hwm n PRO 136 Cb 0.53 -2.32 0.62 0.00 -0.04 0.00 0.00 33.50 32.29 2hwm n PRO 136 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79