#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdm h ILE 2 N 0.00 0.33 -2.66 3.17 2.04 -1.90 -3.41 117.51 115.07 1wdm h ILE 2 Ca 0.00 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1wdm h ILE 2 Cb 0.00 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 35.85 1wdm h ILE 2 CO 0.00 0.06 -0.17 -0.47 0.00 0.00 0.00 178.15 177.57 1wdm s TYR 3 N -5.79 -0.45 -0.25 1.37 5.04 -1.06 -4.97 117.35 111.23 1wdm s TYR 3 Ca -0.11 1.03 -0.03 0.00 -2.44 0.00 0.00 57.07 55.52 1wdm s TYR 3 Cb 0.28 0.18 0.10 0.00 0.35 0.00 0.00 41.96 42.87 1wdm s TYR 3 CO 0.78 -0.30 0.19 -2.00 -1.34 0.00 0.00 175.55 172.88 1wdm s GLU 4 N -0.18 0.21 0.00 4.97 2.12 -1.26 -1.55 118.70 123.01 1wdm s GLU 4 Ca -0.03 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1wdm s GLU 4 Cb -0.03 -1.14 0.00 0.00 0.26 0.00 0.00 34.13 33.22 1wdm s GLU 4 CO 0.02 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.26 1wdm n GLY 5 N 5.29 4.68 0.35 -1.50 0.00 0.34 -5.02 105.19 109.32 1wdm n GLY 5 Ca -0.05 -2.04 0.09 0.00 0.00 0.00 0.00 46.02 44.02 1wdm n GLY 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wdm n LYS 6 N -0.02 1.47 0.00 1.61 5.02 -1.26 -4.54 118.16 120.44 1wdm n LYS 6 Ca 0.00 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1wdm n LYS 6 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1wdm n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wdm n ALA 7 N -0.28 0.30 -3.39 7.82 0.00 -1.26 -1.69 120.51 122.01 1wdm n ALA 7 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1wdm n ALA 7 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 1wdm n ALA 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wdm s ILE 8 N -0.29 0.28 -0.19 0.00 1.01 -1.26 -0.93 121.20 119.83 1wdm s ILE 8 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1wdm s ILE 8 Cb 0.00 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.21 1wdm s ILE 8 CO 0.00 0.14 -0.00 0.42 0.00 0.00 0.00 174.94 175.49 1wdm s THR 9 N 0.62 0.84 -0.87 2.92 -4.23 -0.82 -0.51 115.64 113.59 1wdm s THR 9 Ca -0.07 -0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.59 1wdm s THR 9 Cb -0.10 -1.21 0.13 0.00 1.34 0.00 0.00 72.50 72.66 1wdm s THR 9 CO -0.01 -0.08 1.07 -0.69 -0.54 0.00 0.00 174.62 174.37 1wdm s VAL 10 N 1.72 4.72 0.06 2.29 1.01 -0.60 -2.49 120.40 127.11 1wdm s VAL 10 Ca -0.01 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 60.41 1wdm s VAL 10 Cb -0.17 -4.74 -0.06 0.00 0.00 0.00 0.00 36.38 31.41 1wdm s VAL 10 CO -0.07 -1.46 0.45 -0.89 0.00 0.00 0.00 175.10 173.12 1wdm s THR 11 N 2.76 4.99 0.29 3.92 2.01 -0.52 -2.57 115.64 126.52 1wdm s THR 11 Ca 0.30 0.77 -0.19 0.00 0.31 0.00 0.00 61.69 62.87 1wdm s THR 11 Cb -0.08 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 1wdm s THR 11 CO -0.06 0.44 0.79 0.00 -0.69 0.00 0.00 174.62 175.09 1wdm s ALA 12 N -1.24 3.31 0.00 7.40 0.00 -1.26 -0.34 121.76 129.63 1wdm s ALA 12 Ca 0.29 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1wdm s ALA 12 Cb -0.16 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1wdm s ALA 12 CO 0.16 0.28 0.00 1.28 0.00 0.00 0.00 175.76 177.49 1wdm n LEU 13 N 0.22 0.00 -4.47 0.00 4.77 0.65 -4.85 117.00 113.31 1wdm n LEU 13 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1wdm n LEU 13 Cb 0.52 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.86 1wdm n LEU 13 CO 0.42 0.00 0.51 -1.83 -1.33 0.00 0.00 177.39 175.16 1wdm s GLU 14 N -0.91 -1.38 0.00 3.23 -1.05 -1.26 -3.65 118.70 113.68 1wdm s GLU 14 Ca 0.00 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 1wdm s GLU 14 Cb 0.00 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.16 1wdm s GLU 14 CO 0.00 -3.94 0.00 0.43 0.95 0.00 0.00 175.26 172.70 1wdm n SER 15 N -5.02 -0.78 0.00 0.83 7.64 -1.26 0.13 113.62 115.16 1wdm n SER 15 Ca 0.07 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1wdm n SER 15 Cb 0.57 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1wdm n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wdm n GLY 16 N -0.39 0.54 3.83 0.23 0.00 -1.24 -4.78 105.19 103.38 1wdm n GLY 16 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wdm n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wdm s ILE 17 N -2.40 4.12 0.01 -0.61 1.01 0.34 -2.18 121.20 121.48 1wdm s ILE 17 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1wdm s ILE 17 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1wdm s ILE 17 CO 0.00 -0.87 -0.01 0.54 0.00 0.00 0.00 174.94 174.60 1wdm s VAL 18 N -3.01 0.07 -0.22 2.92 0.11 0.13 -0.25 120.40 120.15 1wdm s VAL 18 Ca 0.58 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1wdm s VAL 18 Cb -0.14 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1wdm s VAL 18 CO 0.53 -0.16 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.41 1wdm s GLU 19 N -0.52 3.42 -0.44 1.54 2.12 0.53 -0.84 118.70 124.51 1wdm s GLU 19 Ca -0.05 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.52 1wdm s GLU 19 Cb -0.04 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1wdm s GLU 19 CO -0.00 -0.19 0.36 -1.17 -0.54 0.00 0.00 175.26 173.72 1wdm s LEU 20 N 1.49 5.32 -0.11 2.70 0.20 0.23 -1.44 118.68 127.06 1wdm s LEU 20 Ca 0.06 -1.08 -0.02 0.00 0.69 0.00 0.00 54.13 53.79 1wdm s LEU 20 Cb -0.14 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.39 1wdm s LEU 20 CO -0.02 -0.56 -0.04 -0.75 -0.29 0.00 0.00 176.35 174.69 1wdm s LYS 21 N 1.72 3.16 -0.55 1.98 2.20 -1.04 -0.81 119.74 126.40 1wdm s LYS 21 Ca 0.05 -0.50 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 1wdm s LYS 21 Cb -0.21 -2.76 0.07 0.00 -1.51 0.00 0.00 37.83 33.42 1wdm s LYS 21 CO 0.09 0.51 0.73 -0.06 -0.36 0.00 0.00 175.35 176.26 1wdm s PHE 22 N -0.38 2.96 -0.46 4.03 0.08 0.10 -1.95 117.98 122.36 1wdm s PHE 22 Ca 0.06 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.56 1wdm s PHE 22 Cb -0.12 -3.82 0.16 0.00 -0.57 0.00 0.00 43.02 38.67 1wdm s PHE 22 CO 0.02 -1.22 0.34 0.34 -0.10 0.00 0.00 175.22 174.61 1wdm s ASP 23 N 3.08 2.45 -0.51 1.36 3.68 -0.10 -1.81 116.67 124.81 1wdm s ASP 23 Ca 0.17 -3.05 -0.27 0.00 2.13 0.00 0.00 52.55 51.53 1wdm s ASP 23 Cb -0.19 -0.70 -0.03 0.00 -1.45 0.00 0.00 42.92 40.54 1wdm s ASP 23 CO 0.11 -0.18 2.02 -0.22 0.13 0.00 0.00 175.17 177.02 1wdm s LEU 24 N -0.05 3.37 0.31 -1.34 2.96 -1.24 -4.24 118.68 118.45 1wdm s LEU 24 Ca 0.28 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 1wdm s LEU 24 Cb -0.04 -2.74 -0.10 0.00 0.50 0.00 0.00 46.19 43.81 1wdm s LEU 24 CO -0.15 -2.38 1.34 -0.54 -1.32 0.00 0.00 176.35 173.30 1wdm s LYS 25 N 7.10 4.33 0.00 1.98 -0.14 -0.68 -3.22 119.74 129.11 1wdm s LYS 25 Ca 0.79 2.24 0.00 0.00 -1.36 0.00 0.00 55.97 57.64 1wdm s LYS 25 Cb -0.16 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1wdm s LYS 25 CO 0.25 -0.25 0.00 0.41 -0.76 0.00 0.00 175.35 175.00 1wdm n GLY 26 N 1.13 3.07 0.00 -3.33 0.00 -1.26 -4.98 105.19 99.82 1wdm n GLY 26 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wdm n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wdm n GLU 27 N -0.45 1.78 0.00 1.61 -0.58 -1.20 -5.06 120.64 116.75 1wdm n GLU 27 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1wdm n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1wdm n GLU 27 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wdm n SER 28 N -1.85 0.76 0.00 1.62 3.41 -1.26 -5.01 113.62 111.30 1wdm n SER 28 Ca 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1wdm n SER 28 Cb 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1wdm n SER 28 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1wdm n VAL 29 N -0.31 0.00 -3.80 -3.33 0.24 -1.26 -4.70 118.33 105.17 1wdm n VAL 29 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 1wdm n VAL 29 Cb 0.03 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.24 1wdm n VAL 29 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1wdm s ASN 30 N 1.00 0.34 0.10 -1.34 0.01 -1.26 -4.33 114.94 109.45 1wdm s ASN 30 Ca 0.00 0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 52.09 1wdm s ASN 30 Cb 0.00 -0.13 -0.00 0.00 0.41 0.00 0.00 41.25 41.53 1wdm s ASN 30 CO 0.00 -0.14 0.20 -1.59 -1.51 0.00 0.00 177.10 174.05 1wdm s LYS 31 N 1.24 0.87 -1.15 -0.60 -2.85 -1.26 -0.26 119.74 115.72 1wdm s LYS 31 Ca -0.07 -0.99 -0.12 0.00 -1.00 0.00 0.00 55.97 53.80 1wdm s LYS 31 Cb -0.13 0.34 0.22 0.00 -2.06 0.00 0.00 37.83 36.21 1wdm s LYS 31 CO -0.03 -0.28 1.26 -0.06 0.10 0.00 0.00 175.35 176.35 1wdm s PHE 32 N -3.87 3.89 0.29 1.78 0.40 -1.26 -4.72 117.98 114.48 1wdm s PHE 32 Ca 0.06 -2.40 0.00 0.00 -0.60 0.00 0.00 56.93 53.99 1wdm s PHE 32 Cb 0.05 -4.07 0.06 0.00 0.51 0.00 0.00 43.02 39.56 1wdm s PHE 32 CO -0.10 -1.17 0.40 0.27 0.70 0.00 0.00 175.22 175.32 1wdm n ASN 33 N 4.18 0.58 -0.12 1.36 0.23 -1.26 -4.78 115.26 115.44 1wdm n ASN 33 Ca 0.30 -1.48 -0.05 0.00 -0.53 0.00 0.00 54.58 52.82 1wdm n ASN 33 Cb 0.41 -0.25 0.03 0.00 -2.08 0.00 0.00 39.78 37.89 1wdm n ASN 33 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1wdm h ARG 34 N 0.00 0.28 0.61 -3.83 -0.00 -2.00 -2.23 114.38 107.22 1wdm h ARG 34 Ca -0.13 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 59.81 1wdm h ARG 34 Cb 0.50 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.40 1wdm h ARG 34 CO 0.14 0.18 -0.41 1.25 -0.00 0.00 0.00 179.97 181.14 1wdm h LEU 35 N 0.28 -1.04 -0.78 0.08 5.85 -1.97 -0.29 115.31 117.44 1wdm h LEU 35 Ca 0.19 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.12 1wdm h LEU 35 Cb 0.18 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 41.38 1wdm h LEU 35 CO -0.20 -0.61 -0.24 0.74 -0.34 0.00 0.00 178.44 177.80 1wdm h THR 36 N -0.96 0.18 0.38 1.05 2.02 -1.83 0.19 112.91 113.94 1wdm h THR 36 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1wdm h THR 36 Cb 0.78 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1wdm h THR 36 CO 0.06 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.70 1wdm h LEU 37 N -0.03 -0.43 -1.53 2.58 3.38 -1.30 -1.13 115.31 116.86 1wdm h LEU 37 Ca 0.35 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.42 1wdm h LEU 37 Cb 0.58 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1wdm h LEU 37 CO -0.81 -0.24 0.49 0.78 0.09 0.00 0.00 178.44 178.76 1wdm h ASN 38 N -0.60 0.45 -0.02 -0.43 -0.26 0.25 -0.29 115.58 114.69 1wdm h ASN 38 Ca -0.05 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1wdm h ASN 38 Cb 0.44 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1wdm h ASN 38 CO 0.09 0.24 -0.10 -0.33 -1.06 0.00 0.00 177.43 176.27 1wdm h GLU 39 N 0.48 0.10 -0.78 0.81 5.08 -0.48 -2.51 114.58 117.28 1wdm h GLU 39 Ca 0.36 -0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.78 1wdm h GLU 39 Cb 0.72 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1wdm h GLU 39 CO -0.12 0.75 0.52 1.25 -1.00 0.00 0.00 179.01 180.41 1wdm h LEU 40 N -0.52 0.44 -0.31 1.33 6.46 -0.52 1.16 115.31 123.34 1wdm h LEU 40 Ca -0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1wdm h LEU 40 Cb 0.77 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1wdm h LEU 40 CO 0.02 0.23 0.20 -0.09 -0.62 0.00 0.00 178.44 178.18 1wdm h ARG 41 N 0.47 0.42 -0.30 1.25 9.65 -0.99 -0.09 114.38 124.79 1wdm h ARG 41 Ca 0.39 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 59.09 1wdm h ARG 41 Cb 0.83 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1wdm h ARG 41 CO -0.14 0.29 -0.40 1.96 2.80 0.00 0.00 179.97 184.49 1wdm h GLN 42 N 0.42 0.72 -0.47 0.20 4.20 0.61 -2.27 115.11 118.52 1wdm h GLN 42 Ca 0.11 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1wdm h GLN 42 Cb -0.03 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1wdm h GLN 42 CO -0.02 0.99 0.25 0.00 -0.67 0.00 0.00 178.83 179.38 1wdm h ALA 43 N 0.96 0.60 0.19 3.87 0.00 0.14 -1.71 119.26 123.32 1wdm h ALA 43 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wdm h ALA 43 Cb 0.94 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wdm h ALA 43 CO 0.09 0.13 -0.09 0.28 0.00 0.00 0.00 179.25 179.65 1wdm h VAL 44 N 0.62 0.87 -0.85 0.00 2.07 -0.95 -2.32 116.25 115.68 1wdm h VAL 44 Ca 0.16 -0.29 0.20 0.00 0.82 0.00 0.00 66.70 67.60 1wdm h VAL 44 Cb 0.07 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1wdm h VAL 44 CO -0.03 0.07 0.58 0.44 0.02 0.00 0.00 177.57 178.65 1wdm h ASP 45 N -0.40 0.32 0.05 0.57 3.32 -1.26 0.48 116.42 119.49 1wdm h ASP 45 Ca -0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wdm h ASP 45 Cb 0.31 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1wdm h ASP 45 CO 0.04 0.13 -0.02 0.00 -1.72 0.00 0.00 179.24 177.67 1wdm h ALA 46 N 1.62 -0.06 0.22 3.45 0.00 -0.95 -1.01 119.26 122.53 1wdm h ALA 46 Ca 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1wdm h ALA 46 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wdm h ALA 46 CO -0.13 -0.36 -0.11 0.82 0.00 0.00 0.00 179.25 179.47 1wdm h ILE 47 N -0.42 0.80 -0.65 0.00 2.04 -0.56 0.17 117.51 118.89 1wdm h ILE 47 Ca -0.01 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.86 1wdm h ILE 47 Cb 0.38 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1wdm h ILE 47 CO 0.01 0.03 0.44 0.11 0.00 0.00 0.00 178.15 178.74 1wdm h LYS 48 N -0.37 0.25 0.00 2.37 1.57 -0.15 0.14 116.57 120.38 1wdm h LYS 48 Ca -0.03 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1wdm h LYS 48 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1wdm h LYS 48 CO 0.05 0.17 -0.90 0.00 -0.57 0.00 0.00 179.45 178.19 1wdm h ALA 49 N 1.69 0.66 -1.58 3.86 0.00 -0.74 -3.43 119.26 119.71 1wdm h ALA 49 Ca 0.31 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 54.28 1wdm h ALA 49 Cb 0.87 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1wdm h ALA 49 CO -0.07 0.44 0.93 0.34 0.00 0.00 0.00 179.25 180.89 1wdm s ASP 50 N -5.84 6.38 0.00 0.00 3.68 0.57 -4.87 116.67 116.59 1wdm s ASP 50 Ca 0.01 -0.06 0.06 0.00 2.13 0.00 0.00 52.55 54.68 1wdm s ASP 50 Cb 0.08 -2.54 0.34 0.00 -1.45 0.00 0.00 42.92 39.35 1wdm s ASP 50 CO 0.77 -1.51 1.03 0.00 0.13 0.00 0.00 175.17 175.59 1wdm n ALA 51 N 8.45 2.32 -0.05 3.66 0.00 -1.26 -2.98 120.51 130.64 1wdm n ALA 51 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 1wdm n ALA 51 Cb 0.49 -1.09 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 1wdm n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wdm n SER 52 N -0.61 0.28 -4.72 0.00 3.41 -1.26 -4.94 113.62 105.77 1wdm n SER 52 Ca 0.04 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 1wdm n SER 52 Cb 0.02 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1wdm n SER 52 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1wdm n VAL 53 N -2.74 0.06 0.02 -3.33 0.31 -1.16 -4.86 118.33 106.64 1wdm n VAL 53 Ca -0.22 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.10 1wdm n VAL 53 Cb 1.00 -1.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 1wdm n VAL 53 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wdm n LYS 54 N 3.86 2.46 -3.67 5.55 4.76 -0.93 -5.01 118.16 125.18 1wdm n LYS 54 Ca 0.16 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 1wdm n LYS 54 Cb 0.35 -0.86 -0.08 0.00 -1.84 0.00 0.00 35.03 32.60 1wdm n LYS 54 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wdm s GLY 55 N -1.76 -0.44 -0.03 0.72 0.00 -1.25 -4.30 107.32 100.25 1wdm s GLY 55 Ca -0.00 1.63 0.07 0.00 0.00 0.00 0.00 44.72 46.42 1wdm s GLY 55 CO 0.05 1.40 -0.24 0.14 0.00 0.00 0.00 173.10 174.45 1wdm s VAL 56 N 0.24 1.91 -0.01 1.40 1.01 -0.49 0.21 120.40 124.68 1wdm s VAL 56 Ca -0.01 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1wdm s VAL 56 Cb -0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1wdm s VAL 56 CO 0.01 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1wdm s ILE 57 N -0.45 1.52 -0.31 2.22 1.01 -0.02 -1.93 121.20 123.24 1wdm s ILE 57 Ca 0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 1wdm s ILE 57 Cb -0.10 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.15 1wdm s ILE 57 CO 0.00 0.40 0.02 -0.69 0.00 0.00 0.00 174.94 174.68 1wdm s VAL 58 N -0.49 2.98 0.51 2.92 1.01 0.70 0.74 120.40 128.76 1wdm s VAL 58 Ca 0.07 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1wdm s VAL 58 Cb -0.08 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1wdm s VAL 58 CO -0.00 -0.19 0.09 -0.94 0.00 0.00 0.00 175.10 174.05 1wdm s SER 59 N 1.30 4.22 -0.02 3.32 1.04 0.00 -0.16 113.70 123.41 1wdm s SER 59 Ca -0.03 -1.54 -0.00 0.00 0.48 0.00 0.00 55.95 54.86 1wdm s SER 59 Cb -0.20 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1wdm s SER 59 CO -0.02 -0.86 0.03 -0.55 0.98 0.00 0.00 173.24 172.82 1wdm s SER 60 N -3.95 0.25 -0.13 7.02 0.15 -1.26 -0.72 113.70 115.06 1wdm s SER 60 Ca 0.14 0.03 0.07 0.00 0.70 0.00 0.00 55.95 56.90 1wdm s SER 60 Cb 0.01 -0.11 0.44 0.00 -1.71 0.00 0.00 66.02 64.66 1wdm s SER 60 CO 0.08 -0.14 1.18 0.61 1.20 0.00 0.00 173.24 176.17 1wdm n GLY 61 N 4.29 2.32 3.61 9.45 0.00 -0.75 -4.90 105.19 119.22 1wdm n GLY 61 Ca -0.25 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1wdm n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdm s LYS 62 N -1.94 1.98 0.53 1.61 -0.14 -1.26 -4.97 119.74 115.54 1wdm s LYS 62 Ca 0.29 -1.91 0.20 0.00 -1.36 0.00 0.00 55.97 53.19 1wdm s LYS 62 Cb 0.22 -1.79 1.37 0.00 -1.68 0.00 0.00 37.83 35.96 1wdm s LYS 62 CO 0.08 0.06 2.15 -0.44 -0.76 0.00 0.00 175.35 176.45 1wdm h ASP 63 N 1.83 0.00 -2.18 2.83 3.32 -1.90 -3.42 116.42 116.90 1wdm h ASP 63 Ca -0.43 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.07 1wdm h ASP 63 Cb 1.25 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.71 1wdm h ASP 63 CO 0.72 0.04 -0.63 0.68 -1.72 0.00 0.00 179.24 178.32 1wdm s VAL 64 N -4.85 3.46 0.00 -1.35 -7.23 -1.26 -4.33 120.40 104.84 1wdm s VAL 64 Ca -0.05 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1wdm s VAL 64 Cb 0.16 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1wdm s VAL 64 CO 0.64 -0.36 0.13 0.33 -0.31 0.00 0.00 175.10 175.53 1wdm n PHE 65 N -0.92 0.00 -3.30 2.82 7.35 0.29 -4.69 117.46 119.00 1wdm n PHE 65 Ca -0.06 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.56 1wdm n PHE 65 Cb 0.59 -0.06 -0.06 0.00 0.35 0.00 0.00 39.48 40.30 1wdm n PHE 65 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1wdm s ILE 66 N -0.38 -0.69 0.00 -2.13 1.01 -0.87 -4.56 121.20 113.58 1wdm s ILE 66 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1wdm s ILE 66 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1wdm s ILE 66 CO 0.00 -0.12 0.00 1.33 0.00 0.00 0.00 174.94 176.15 1wdm n VAL 67 N 5.38 0.00 -1.91 2.92 0.24 0.64 -2.08 118.33 123.52 1wdm n VAL 67 Ca -0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.96 1wdm n VAL 67 Cb 0.50 -1.49 0.01 0.00 -1.47 0.00 0.00 33.84 31.40 1wdm n VAL 67 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wdm s GLY 68 N -2.43 1.80 0.94 7.63 0.00 -1.25 -4.31 107.32 109.70 1wdm s GLY 68 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 1wdm s GLY 68 CO 0.00 0.36 1.09 0.00 0.00 0.00 0.00 173.10 174.56 1wdm s ALA 69 N -2.94 1.29 0.16 3.20 0.00 -1.26 -4.74 121.76 117.46 1wdm s ALA 69 Ca 0.58 -0.22 -0.32 0.00 0.00 0.00 0.00 51.96 52.00 1wdm s ALA 69 Cb -0.12 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1wdm s ALA 69 CO 0.48 -2.57 1.73 -0.51 0.00 0.00 0.00 175.76 174.89 1wdm s ASP 70 N -3.46 6.44 0.56 0.00 1.01 -1.26 -4.82 116.67 115.14 1wdm s ASP 70 Ca 0.64 2.76 0.32 0.00 0.71 0.00 0.00 52.55 56.98 1wdm s ASP 70 Cb -0.18 -2.59 1.46 0.00 1.01 0.00 0.00 42.92 42.62 1wdm s ASP 70 CO 0.57 -0.95 1.83 -0.29 0.21 0.00 0.00 175.17 176.53 1wdm h ILE 71 N 4.20 0.41 0.07 0.77 6.09 -2.01 0.30 117.51 127.34 1wdm h ILE 71 Ca -0.44 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.07 1wdm h ILE 71 Cb 1.21 0.50 -0.03 0.00 0.47 0.00 0.00 36.82 38.96 1wdm h ILE 71 CO 0.95 0.00 -0.19 0.74 -3.07 0.00 0.00 178.15 176.58 1wdm h THR 72 N 0.00 0.57 -0.08 2.19 2.02 -2.00 -2.07 112.91 113.54 1wdm h THR 72 Ca 0.39 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.56 1wdm h THR 72 Cb 1.76 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1wdm h THR 72 CO -0.00 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.54 1wdm h GLU 73 N -0.34 0.11 0.84 6.66 5.08 -1.30 -2.73 114.58 122.90 1wdm h GLU 73 Ca 0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1wdm h GLU 73 Cb 0.38 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wdm h GLU 73 CO -0.13 0.14 -0.47 0.74 -1.00 0.00 0.00 179.01 178.29 1wdm h PHE 74 N 0.11 -1.24 -0.89 4.33 -1.00 -1.28 -0.91 116.94 116.06 1wdm h PHE 74 Ca 0.03 -0.02 0.24 0.00 2.81 0.00 0.00 57.97 61.03 1wdm h PHE 74 Cb 0.11 0.43 -0.16 0.00 3.61 0.00 0.00 35.95 39.94 1wdm h PHE 74 CO 0.00 -0.72 0.11 0.28 -1.61 0.00 0.00 178.31 176.37 1wdm h VAL 75 N -1.21 0.20 0.70 -0.55 2.07 -1.18 -1.30 116.25 114.97 1wdm h VAL 75 Ca -0.11 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1wdm h VAL 75 Cb 0.96 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1wdm h VAL 75 CO 0.15 0.02 -0.40 -0.33 0.02 0.00 0.00 177.57 177.02 1wdm h GLU 76 N 0.10 -0.98 -0.70 1.57 5.08 -1.20 -3.07 114.58 115.39 1wdm h GLU 76 Ca 0.54 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 59.10 1wdm h GLU 76 Cb 1.09 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 1wdm h GLU 76 CO -0.76 -0.65 0.23 -0.91 -1.00 0.00 0.00 179.01 175.92 1wdm h ASN 77 N -1.02 0.17 0.05 1.42 4.21 -0.20 -0.25 115.58 119.96 1wdm h ASN 77 Ca -0.09 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1wdm h ASN 77 Cb 0.81 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 1wdm h ASN 77 CO 0.11 0.06 0.00 0.49 -1.29 0.00 0.00 177.43 176.81 1wdm n PHE 78 N -5.05 0.00 0.04 1.19 3.72 -0.59 -1.85 117.46 114.92 1wdm n PHE 78 Ca 0.12 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.55 1wdm n PHE 78 Cb 0.38 -0.04 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 1wdm n PHE 78 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wdm n LYS 79 N -1.04 0.62 -1.20 -1.08 5.02 -0.11 -4.73 118.16 115.65 1wdm n LYS 79 Ca 0.13 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.25 1wdm n LYS 79 Cb 0.07 -1.78 0.12 0.00 -0.02 0.00 0.00 35.03 33.42 1wdm n LYS 79 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wdm s LEU 80 N -5.59 3.17 0.50 -0.35 1.43 -0.77 -4.95 118.68 112.12 1wdm s LEU 80 Ca -0.03 2.34 -0.22 0.00 -1.03 0.00 0.00 54.13 55.18 1wdm s LEU 80 Cb 0.09 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 1wdm s LEU 80 CO 0.81 -2.55 1.26 -2.84 0.23 0.00 0.00 176.35 173.27 1wdm s PRO 81 N -4.12 3.49 0.24 1.29 0.02 -1.26 -4.69 135.00 129.97 1wdm s PRO 81 Ca 0.73 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 63.63 1wdm s PRO 81 Cb -0.28 -2.35 0.33 0.00 0.02 0.00 0.00 34.50 32.22 1wdm s PRO 81 CO 0.49 -0.84 1.58 -0.44 -0.33 0.00 0.00 177.00 177.47 1wdm h ASP 82 N 1.81 -0.89 -0.13 2.53 5.19 -1.95 0.21 116.42 123.19 1wdm h ASP 82 Ca -0.50 0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1wdm h ASP 82 Cb 1.27 0.56 -0.01 0.00 0.18 0.00 0.00 39.33 41.33 1wdm h ASP 82 CO 0.59 -0.28 0.09 0.00 -3.12 0.00 0.00 179.24 176.51 1wdm h ALA 83 N 1.72 1.95 0.11 3.45 0.00 -2.00 -1.81 119.26 122.67 1wdm h ALA 83 Ca 0.38 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 1wdm h ALA 83 Cb 0.61 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wdm h ALA 83 CO -0.87 0.04 -0.79 0.93 0.00 0.00 0.00 179.25 178.56 1wdm h GLU 84 N 0.14 0.34 0.41 0.00 5.08 -0.99 -2.78 114.58 116.78 1wdm h GLU 84 Ca 0.05 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1wdm h GLU 84 Cb 0.03 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1wdm h GLU 84 CO -0.01 1.22 -0.31 1.25 -1.00 0.00 0.00 179.01 180.16 1wdm h LEU 85 N -0.27 -0.79 -0.57 1.33 5.85 -0.87 0.83 115.31 120.81 1wdm h LEU 85 Ca -0.13 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1wdm h LEU 85 Cb 1.58 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.79 1wdm h LEU 85 CO 0.15 -0.46 0.20 0.40 -0.34 0.00 0.00 178.44 178.39 1wdm h ILE 86 N -0.71 0.77 0.00 4.05 2.04 -1.48 0.27 117.51 122.46 1wdm h ILE 86 Ca -0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1wdm h ILE 86 Cb 0.61 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1wdm h ILE 86 CO 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 178.15 178.13 1wdm h ALA 87 N 1.40 1.40 0.11 1.87 0.00 -1.19 0.18 119.26 123.04 1wdm h ALA 87 Ca 0.29 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 1wdm h ALA 87 Cb 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1wdm h ALA 87 CO -0.30 0.12 -1.21 0.78 0.00 0.00 0.00 179.25 178.63 1wdm h GLY 88 N 0.58 0.56 1.69 0.00 0.00 0.19 -3.14 103.07 102.95 1wdm h GLY 88 Ca -0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 47.33 45.93 1wdm h GLY 88 CO 0.01 1.06 -0.86 3.43 0.00 0.00 0.00 176.54 180.18 1wdm h ASN 89 N 0.21 0.36 -0.32 0.19 2.35 -0.11 -2.79 115.58 115.46 1wdm h ASN 89 Ca -0.16 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1wdm h ASN 89 Cb 1.89 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 40.14 1wdm h ASN 89 CO 0.22 1.06 0.21 0.25 -1.65 0.00 0.00 177.43 177.52 1wdm h LEU 90 N 0.17 0.37 -0.95 1.61 5.85 -0.75 0.95 115.31 122.55 1wdm h LEU 90 Ca -0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1wdm h LEU 90 Cb 1.47 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1wdm h LEU 90 CO 0.14 0.28 0.27 -0.08 -0.34 0.00 0.00 178.44 178.71 1wdm h GLU 91 N 0.43 1.04 -0.51 1.25 4.81 -1.56 -1.52 114.58 118.51 1wdm h GLU 91 Ca 0.12 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1wdm h GLU 91 Cb -0.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1wdm h GLU 91 CO -0.02 0.85 0.02 0.00 -0.73 0.00 0.00 179.01 179.13 1wdm h ALA 92 N 1.28 0.69 -0.45 2.92 0.00 -1.14 -2.97 119.26 119.60 1wdm h ALA 92 Ca 0.24 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1wdm h ALA 92 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wdm h ALA 92 CO -0.02 0.48 -0.09 -0.91 0.00 0.00 0.00 179.25 178.72 1wdm h ASN 93 N 0.76 0.77 -0.90 0.00 2.35 -0.52 -2.72 115.58 115.32 1wdm h ASN 93 Ca 0.15 -0.22 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1wdm h ASN 93 Cb 0.49 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 1wdm h ASN 93 CO 0.02 0.89 0.59 0.11 -1.65 0.00 0.00 177.43 177.39 1wdm h LYS 94 N 0.72 0.98 -0.59 0.81 1.57 -1.13 0.30 116.57 119.22 1wdm h LYS 94 Ca 0.13 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1wdm h LYS 94 Cb 0.56 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1wdm h LYS 94 CO 0.03 0.65 0.26 0.82 -0.57 0.00 0.00 179.45 180.64 1wdm h ILE 95 N 1.00 0.86 0.08 1.86 2.04 -1.37 0.31 117.51 122.28 1wdm h ILE 95 Ca 0.40 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 1wdm h ILE 95 Cb 0.24 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1wdm h ILE 95 CO -0.15 0.09 -0.04 -0.26 0.00 0.00 0.00 178.15 177.79 1wdm h PHE 96 N 0.48 -0.10 -0.82 1.37 0.05 -1.23 -2.75 116.94 113.94 1wdm h PHE 96 Ca 0.28 -0.00 0.15 0.00 3.82 0.00 0.00 57.97 62.21 1wdm h PHE 96 Cb 0.27 0.03 -0.09 0.00 2.00 0.00 0.00 35.95 38.16 1wdm h PHE 96 CO -0.13 0.44 0.39 0.77 -0.18 0.00 0.00 178.31 179.61 1wdm h SER 97 N -0.74 0.45 -0.26 2.17 0.02 -0.23 0.24 113.55 115.21 1wdm h SER 97 Ca -0.01 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1wdm h SER 97 Cb 0.58 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1wdm h SER 97 CO 0.02 0.18 0.17 0.44 -1.14 0.00 0.00 176.83 176.49 1wdm h ASP 98 N 0.56 0.30 0.10 3.07 3.32 -0.44 0.25 116.42 123.60 1wdm h ASP 98 Ca 0.45 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 1wdm h ASP 98 Cb 0.65 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1wdm h ASP 98 CO -0.38 0.24 -0.03 0.15 -1.72 0.00 0.00 179.24 177.51 1wdm h PHE 99 N 0.34 0.00 0.00 4.55 3.04 -0.66 0.12 116.94 124.33 1wdm h PHE 99 Ca 0.09 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 1wdm h PHE 99 Cb -0.01 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 1wdm h PHE 99 CO -0.05 0.03 -0.54 1.49 -2.02 0.00 0.00 178.31 177.21 1wdm h GLU 100 N 0.00 0.00 -0.48 1.11 4.81 0.11 -3.25 114.58 116.87 1wdm h GLU 100 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wdm h GLU 100 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1wdm h GLU 100 CO 0.00 0.50 0.00 -0.25 -0.73 0.00 0.00 179.01 178.53 1wdm n ASP 101 N -3.21 2.96 -4.73 1.04 8.00 0.38 -4.95 116.55 116.04 1wdm n ASP 101 Ca 0.02 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 1wdm n ASP 101 Cb 0.74 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1wdm n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wdm n LEU 102 N 1.13 4.17 -1.82 0.64 4.32 -0.99 -4.82 117.00 119.63 1wdm n LEU 102 Ca 0.19 1.10 -0.07 0.00 -0.02 0.00 0.00 56.01 57.21 1wdm n LEU 102 Cb 0.49 -1.58 -0.10 0.00 -1.62 0.00 0.00 43.42 40.60 1wdm n LEU 102 CO 0.14 0.17 1.37 -3.20 -1.22 0.00 0.00 177.39 174.65 1wdm n ASN 103 N 3.13 5.22 -3.71 -1.43 5.15 -1.26 -4.71 115.26 117.64 1wdm n ASN 103 Ca 0.13 -2.44 -0.12 0.00 -0.60 0.00 0.00 54.58 51.54 1wdm n ASN 103 Cb 0.36 -1.30 -0.10 0.00 -0.53 0.00 0.00 39.78 38.21 1wdm n ASN 103 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wdm s VAL 104 N 0.65 -0.01 0.15 3.44 1.01 -1.26 -5.04 120.40 119.34 1wdm s VAL 104 Ca 0.41 0.03 -0.33 0.00 0.00 0.00 0.00 61.98 62.09 1wdm s VAL 104 Cb 0.20 -0.61 -0.13 0.00 0.00 0.00 0.00 36.38 35.84 1wdm s VAL 104 CO 0.00 0.01 1.70 -2.65 0.00 0.00 0.00 175.10 174.16 1wdm n PRO 105 N 3.34 2.49 -5.18 2.72 -0.02 -1.26 -4.76 135.00 132.33 1wdm n PRO 105 Ca -0.17 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 1wdm n PRO 105 Cb 0.56 -2.73 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 1wdm n PRO 105 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wdm s THR 106 N 1.55 1.92 -0.04 3.45 -4.23 -1.26 -1.39 115.64 115.63 1wdm s THR 106 Ca 0.79 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1wdm s THR 106 Cb -0.58 -1.62 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1wdm s THR 106 CO 0.37 0.54 -0.12 -0.69 -0.54 0.00 0.00 174.62 174.18 1wdm s VAL 107 N -0.20 1.03 -0.28 2.29 1.01 -0.81 -1.67 120.40 121.77 1wdm s VAL 107 Ca -0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1wdm s VAL 107 Cb -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1wdm s VAL 107 CO 0.03 0.32 0.40 0.00 0.00 0.00 0.00 175.10 175.85 1wdm s ALA 108 N 0.37 3.55 -1.17 5.51 0.00 -0.70 -0.22 121.76 129.11 1wdm s ALA 108 Ca -0.08 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 1wdm s ALA 108 Cb -0.12 -2.77 0.23 0.00 0.00 0.00 0.00 23.12 20.46 1wdm s ALA 108 CO 0.02 -0.76 1.42 0.00 0.00 0.00 0.00 175.76 176.44 1wdm n ALA 109 N 5.40 4.47 -1.77 0.00 0.00 0.77 -1.37 120.51 128.02 1wdm n ALA 109 Ca -0.08 -4.49 -0.38 0.00 0.00 0.00 0.00 53.44 48.49 1wdm n ALA 109 Cb 0.50 -2.73 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 1wdm n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wdm s ILE 110 N -0.33 3.17 -0.11 0.00 1.01 -0.30 -4.57 121.20 120.06 1wdm s ILE 110 Ca 0.36 0.12 0.10 0.00 0.00 0.00 0.00 60.65 61.23 1wdm s ILE 110 Cb -0.02 -3.40 -0.24 0.00 0.01 0.00 0.00 42.46 38.82 1wdm s ILE 110 CO -0.01 -0.36 0.40 -0.46 0.00 0.00 0.00 174.94 174.51 1wdm n ASN 111 N 13.94 0.97 -0.57 3.58 6.94 -1.26 -0.63 115.26 138.23 1wdm n ASN 111 Ca 0.29 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 55.09 1wdm n ASN 111 Cb 0.52 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1wdm n ASN 111 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wdm n GLY 112 N 1.74 4.26 3.46 4.83 0.00 -1.26 -4.43 105.19 113.79 1wdm n GLY 112 Ca -0.26 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 43.84 1wdm n GLY 112 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wdm n ILE 113 N 0.00 1.83 -3.42 -0.61 2.08 -1.26 -3.63 119.36 114.35 1wdm n ILE 113 Ca 0.00 -0.50 -0.22 0.00 0.56 0.00 0.00 62.75 62.59 1wdm n ILE 113 Cb 0.00 -0.43 -0.10 0.00 -0.75 0.00 0.00 39.64 38.36 1wdm n ILE 113 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wdm s ALA 114 N -1.19 0.14 -0.05 -1.39 0.00 -0.54 -0.55 121.76 118.18 1wdm s ALA 114 Ca 0.62 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 1wdm s ALA 114 Cb -0.76 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1wdm s ALA 114 CO 0.58 -2.01 -0.01 -0.51 0.00 0.00 0.00 175.76 173.81 1wdm s LEU 115 N 1.52 3.50 0.00 0.00 1.43 -0.88 -2.70 118.68 121.55 1wdm s LEU 115 Ca 0.15 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1wdm s LEU 115 Cb -0.18 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1wdm s LEU 115 CO -0.10 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1wdm n GLY 116 N 1.89 3.28 0.42 -3.19 0.00 -0.80 -0.72 105.19 106.07 1wdm n GLY 116 Ca -0.17 0.18 0.25 0.00 0.00 0.00 0.00 46.02 46.28 1wdm n GLY 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wdm h GLY 117 N 0.00 1.25 0.81 -0.02 0.00 -1.89 0.57 103.07 103.79 1wdm h GLY 117 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1wdm h GLY 117 CO 0.00 -0.19 0.47 -1.33 0.00 0.00 0.00 176.54 175.48 1wdm h GLY 118 N 0.33 1.11 1.03 4.60 0.00 -0.95 0.11 103.07 109.30 1wdm h GLY 118 Ca 0.64 -0.35 -0.23 0.00 0.00 0.00 0.00 47.33 47.39 1wdm h GLY 118 CO -0.33 0.27 -0.93 -2.00 0.00 0.00 0.00 176.54 173.56 1wdm h LEU 119 N 0.90 0.75 -1.93 3.11 6.46 -0.15 -3.19 115.31 121.26 1wdm h LEU 119 Ca 0.31 -0.78 0.08 0.00 -0.12 0.00 0.00 57.88 57.38 1wdm h LEU 119 Cb 0.07 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 1wdm h LEU 119 CO -0.13 1.44 0.24 -0.33 -0.62 0.00 0.00 178.44 179.04 1wdm h GLU 120 N 0.15 0.09 -0.19 1.25 5.08 -0.06 0.04 114.58 120.93 1wdm h GLU 120 Ca -0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1wdm h GLU 120 Cb 1.61 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1wdm h GLU 120 CO 0.18 0.06 0.03 1.98 -1.00 0.00 0.00 179.01 180.26 1wdm h MET 121 N 0.09 0.32 -0.48 2.33 4.05 -0.79 -3.01 114.93 117.44 1wdm h MET 121 Ca 0.16 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1wdm h MET 121 Cb 0.52 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1wdm h MET 121 CO -0.01 0.49 0.23 0.00 0.23 0.00 0.00 176.91 177.85 1wdm h LEU 123 N 0.64 0.00 -0.02 0.00 3.38 -0.96 -0.54 115.31 117.81 1wdm h LEU 123 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1wdm h LEU 123 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wdm h LEU 123 CO -0.02 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.18 1wdm h ALA 124 N 1.30 0.07 -2.10 1.53 0.00 -1.23 -3.46 119.26 115.36 1wdm h ALA 124 Ca 0.08 -0.47 -0.47 0.00 0.00 0.00 0.00 54.91 54.04 1wdm h ALA 124 Cb 0.93 0.01 0.22 0.00 0.00 0.00 0.00 17.79 18.95 1wdm h ALA 124 CO -0.00 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.23 1wdm n ALA 125 N -2.53 -2.52 -0.51 0.00 0.00 -0.21 -4.58 120.51 110.16 1wdm n ALA 125 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1wdm n ALA 125 Cb 0.53 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1wdm n ALA 125 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wdm n ASP 126 N -3.90 0.00 -4.98 0.00 8.00 -0.67 -4.94 116.55 110.06 1wdm n ASP 126 Ca 0.05 0.39 -0.20 0.00 0.71 0.00 0.00 54.79 55.75 1wdm n ASP 126 Cb 0.55 -0.25 0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1wdm n ASP 126 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wdm s PHE 127 N -0.93 2.84 -0.18 1.24 0.40 -0.75 -4.91 117.98 115.68 1wdm s PHE 127 Ca 0.00 -0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 1wdm s PHE 127 Cb 0.00 -2.69 0.07 0.00 0.51 0.00 0.00 43.02 40.92 1wdm s PHE 127 CO 0.00 -0.80 0.40 1.03 0.70 0.00 0.00 175.22 176.56 1wdm s ARG 128 N -4.69 0.35 -0.18 0.44 0.52 -1.26 -1.72 118.95 112.41 1wdm s ARG 128 Ca 0.57 0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 56.65 1wdm s ARG 128 Cb -0.10 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1wdm s ARG 128 CO 0.37 -0.20 -0.15 0.08 0.02 0.00 0.00 175.30 175.43 1wdm s VAL 129 N 1.91 2.60 0.08 3.52 1.01 -0.47 -1.05 120.40 128.01 1wdm s VAL 129 Ca -0.06 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wdm s VAL 129 Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1wdm s VAL 129 CO -0.13 0.50 -0.12 -0.32 0.00 0.00 0.00 175.10 175.03 1wdm s MET 130 N 1.13 2.13 0.52 2.72 0.00 -0.22 -1.15 119.30 124.42 1wdm s MET 130 Ca 0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 55.69 54.51 1wdm s MET 130 Cb -0.14 -2.28 -0.07 0.00 0.00 0.00 0.00 34.83 32.34 1wdm s MET 130 CO -0.05 0.52 1.08 0.00 0.00 0.00 0.00 175.02 176.58 1wdm s ALA 131 N -1.11 2.78 0.27 4.11 0.00 0.20 -1.71 121.76 126.30 1wdm s ALA 131 Ca 0.19 0.71 0.37 0.00 0.00 0.00 0.00 51.96 53.23 1wdm s ALA 131 Cb -0.11 -3.31 1.76 0.00 0.00 0.00 0.00 23.12 21.47 1wdm s ALA 131 CO 0.10 -0.55 2.11 0.38 0.00 0.00 0.00 175.76 177.80 1wdm h ASP 132 N 1.36 0.00 0.04 0.00 -0.00 -0.43 -2.59 116.42 114.80 1wdm h ASP 132 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.53 1wdm h ASP 132 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 1wdm h ASP 132 CO 0.58 0.00 -1.46 -1.54 -0.00 0.00 0.00 179.24 176.82 1wdm n SER 133 N -2.98 0.51 -4.53 4.15 3.41 -1.26 -4.52 113.62 108.41 1wdm n SER 133 Ca -0.01 -0.47 -0.28 0.00 -0.26 0.00 0.00 58.87 57.84 1wdm n SER 133 Cb 0.19 1.43 0.22 0.00 -0.26 0.00 0.00 64.21 65.79 1wdm n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wdm s ALA 134 N -3.25 0.23 -0.00 7.33 0.00 -0.98 -4.92 121.76 120.16 1wdm s ALA 134 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1wdm s ALA 134 Cb 0.15 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1wdm s ALA 134 CO 0.88 -3.39 0.19 0.15 0.00 0.00 0.00 175.76 173.59 1wdm s LYS 135 N -4.79 0.54 -0.02 0.00 1.02 -1.26 -3.54 119.74 111.69 1wdm s LYS 135 Ca 0.67 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 1wdm s LYS 135 Cb -0.21 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1wdm s LYS 135 CO 0.60 -0.13 0.07 0.96 -0.92 0.00 0.00 175.35 175.93 1wdm s ILE 136 N -1.34 0.03 0.08 2.17 -4.36 -0.69 -1.47 121.20 115.62 1wdm s ILE 136 Ca -0.14 -0.25 -0.27 0.00 -0.26 0.00 0.00 60.65 59.73 1wdm s ILE 136 Cb -0.07 -0.19 0.09 0.00 1.25 0.00 0.00 42.46 43.55 1wdm s ILE 136 CO 0.02 -0.14 1.11 -0.83 0.24 0.00 0.00 174.94 175.35 1wdm s GLY 137 N -0.41 -0.31 -0.67 6.27 0.00 -1.10 -0.41 107.32 110.69 1wdm s GLY 137 Ca -0.05 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.10 1wdm s GLY 137 CO 0.00 0.10 0.52 1.04 0.00 0.00 0.00 173.10 174.76 1wdm n LEU 138 N -0.48 2.86 -1.98 0.66 4.77 -1.26 -1.90 117.00 119.67 1wdm n LEU 138 Ca -0.07 -5.19 -0.08 0.00 -0.03 0.00 0.00 56.01 50.64 1wdm n LEU 138 Cb 0.62 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1wdm n LEU 138 CO 0.13 1.81 1.31 -0.81 -1.33 0.00 0.00 177.39 178.50 1wdm n PRO 139 N 1.84 1.50 -0.03 3.23 -0.04 -1.25 -3.98 135.00 136.27 1wdm n PRO 139 Ca 0.22 -0.66 -0.18 0.00 -0.04 0.00 0.00 63.50 62.84 1wdm n PRO 139 Cb 0.37 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 31.95 1wdm n PRO 139 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wdm h GLU 140 N 3.07 0.12 -0.16 0.54 4.39 -1.86 -3.34 114.58 117.35 1wdm h GLU 140 Ca 0.13 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.66 1wdm h GLU 140 Cb 1.18 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1wdm h GLU 140 CO 0.22 1.10 0.39 -0.39 -1.16 0.00 0.00 179.01 179.16 1wdm h VAL 141 N -0.70 0.14 0.00 3.13 -1.51 -0.93 0.31 116.25 116.69 1wdm h VAL 141 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1wdm h VAL 141 Cb 1.36 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1wdm h VAL 141 CO 0.02 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.65 1wdm n LYS 142 N -3.20 0.05 -0.14 5.19 4.01 -1.25 -2.35 118.16 120.47 1wdm n LYS 142 Ca 0.02 0.19 0.05 0.00 -0.51 0.00 0.00 58.31 58.06 1wdm n LYS 142 Cb 0.48 -1.58 0.13 0.00 -0.51 0.00 0.00 35.03 33.55 1wdm n LYS 142 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1wdm n LEU 143 N -1.66 2.72 0.00 -0.35 4.77 0.11 -4.71 117.00 117.87 1wdm n LEU 143 Ca 0.05 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1wdm n LEU 143 Cb 0.25 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1wdm n LEU 143 CO 0.20 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1wdm n GLY 144 N 0.41 0.39 1.97 -0.72 0.00 -0.99 -4.47 105.19 101.79 1wdm n GLY 144 Ca 0.10 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1wdm n GLY 144 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wdm n ILE 145 N -3.24 0.00 -4.23 -0.61 -5.35 -1.15 -4.54 119.36 100.24 1wdm n ILE 145 Ca 0.00 -1.32 -0.13 0.00 -0.27 0.00 0.00 62.75 61.03 1wdm n ILE 145 Cb 0.13 0.71 -0.10 0.00 -1.74 0.00 0.00 39.64 38.64 1wdm n ILE 145 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1wdm s TYR 146 N -3.16 1.22 -0.19 4.28 -0.85 -1.26 -0.41 117.35 116.99 1wdm s TYR 146 Ca 0.22 -1.27 -0.35 0.00 -0.52 0.00 0.00 57.07 55.14 1wdm s TYR 146 Cb 0.01 -0.65 -0.16 0.00 0.38 0.00 0.00 41.96 41.53 1wdm s TYR 146 CO 0.15 -0.50 1.07 -2.30 -1.52 0.00 0.00 175.55 172.45 1wdm n PRO 147 N -0.29 0.00 -0.03 -3.49 -0.02 -1.26 -4.88 135.00 125.02 1wdm n PRO 147 Ca -0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 1wdm n PRO 147 Cb 0.65 -1.22 -0.11 0.00 -0.02 0.00 0.00 33.50 32.80 1wdm n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wdm n GLY 148 N 2.15 -0.67 2.85 -1.23 0.00 -1.26 -4.39 105.19 102.63 1wdm n GLY 148 Ca 0.20 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1wdm n GLY 148 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wdm n PHE 149 N -2.20 2.46 -1.53 1.61 3.72 -1.26 -4.73 117.46 115.53 1wdm n PHE 149 Ca -0.10 -2.58 -0.18 0.00 -0.05 0.00 0.00 57.45 54.54 1wdm n PHE 149 Cb 0.59 -1.28 -0.08 0.00 -0.94 0.00 0.00 39.48 37.78 1wdm n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wdm n GLY 150 N 0.88 1.75 0.11 1.37 0.00 -1.26 -4.83 105.19 103.21 1wdm n GLY 150 Ca 0.35 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1wdm n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wdm h GLY 151 N 0.00 -0.16 0.60 -0.02 0.00 -1.85 -1.58 103.07 100.06 1wdm h GLY 151 Ca -0.37 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1wdm h GLY 151 CO 0.54 -0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.72 1wdm n THR 152 N -5.00 0.00 -0.09 4.70 -2.24 -1.26 -2.10 114.28 108.29 1wdm n THR 152 Ca -0.09 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1wdm n THR 152 Cb 0.21 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.83 1wdm n THR 152 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wdm n VAL 153 N -0.80 0.97 0.02 2.28 0.31 -1.02 -4.70 118.33 115.40 1wdm n VAL 153 Ca 0.07 -0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 1wdm n VAL 153 Cb 0.03 -1.64 -0.14 0.00 -0.91 0.00 0.00 33.84 31.18 1wdm n VAL 153 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wdm h ARG 154 N -0.54 0.26 -0.52 5.55 3.08 -1.21 -3.36 114.38 117.64 1wdm h ARG 154 Ca -0.44 -0.45 0.11 0.00 0.07 0.00 0.00 59.98 59.27 1wdm h ARG 154 Cb 1.42 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 31.54 1wdm h ARG 154 CO -0.24 1.21 -0.09 1.25 -1.07 0.00 0.00 179.97 181.03 1wdm h LEU 155 N -0.35 -0.41 -1.49 3.04 5.85 -1.65 -0.88 115.31 119.42 1wdm h LEU 155 Ca -0.24 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1wdm h LEU 155 Cb 1.70 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 43.00 1wdm h LEU 155 CO 0.09 -0.15 0.25 -0.65 -0.34 0.00 0.00 178.44 177.64 1wdm h PRO 156 N 0.03 0.59 -0.00 5.25 0.11 -1.79 -0.46 132.00 135.74 1wdm h PRO 156 Ca 0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1wdm h PRO 156 Cb 0.40 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1wdm h PRO 156 CO -0.51 0.43 -0.08 0.54 -0.21 0.00 0.00 178.00 178.17 1wdm n ARG 157 N -4.43 0.07 -0.11 1.05 1.74 -0.49 -1.98 116.66 112.51 1wdm n ARG 157 Ca 0.03 -0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 1wdm n ARG 157 Cb 0.09 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 1wdm n ARG 157 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wdm n LEU 158 N -1.45 1.80 -0.00 0.55 4.77 -0.46 -4.59 117.00 117.61 1wdm n LEU 158 Ca 0.08 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.46 1wdm n LEU 158 Cb 0.33 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1wdm n LEU 158 CO 0.28 0.28 -0.30 2.30 -1.33 0.00 0.00 177.39 178.62 1wdm n ILE 159 N -4.20 0.00 0.00 -0.08 -5.35 -0.27 -4.87 119.36 104.59 1wdm n ILE 159 Ca -0.39 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1wdm n ILE 159 Cb 0.74 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 1wdm n ILE 159 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wdm n GLY 160 N 1.42 2.86 0.27 3.28 0.00 -0.84 -4.66 105.19 107.52 1wdm n GLY 160 Ca 0.01 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1wdm n GLY 160 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wdm h VAL 161 N 0.00 0.00 -0.95 1.61 2.07 -1.88 0.20 116.25 117.30 1wdm h VAL 161 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 1wdm h VAL 161 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1wdm h VAL 161 CO 0.00 0.00 0.48 0.44 0.02 0.00 0.00 177.57 178.51 1wdm h ASP 162 N -0.36 0.47 0.15 0.57 3.32 -1.92 -1.14 116.42 117.51 1wdm h ASP 162 Ca 0.01 0.15 -0.26 0.00 0.02 0.00 0.00 57.03 56.95 1wdm h ASP 162 Cb 0.40 0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.07 1wdm h ASP 162 CO -0.22 0.02 -1.06 0.78 -1.72 0.00 0.00 179.24 177.04 1wdm h ASN 163 N 0.45 0.78 -0.87 6.45 2.35 -1.73 -2.40 115.58 120.61 1wdm h ASN 163 Ca 0.61 -0.64 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1wdm h ASN 163 Cb 1.19 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 1wdm h ASN 163 CO -0.52 1.45 0.54 0.00 -1.65 0.00 0.00 177.43 177.25 1wdm h ALA 164 N 0.49 1.11 -0.40 -0.83 0.00 0.53 0.90 119.26 121.06 1wdm h ALA 164 Ca -0.13 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1wdm h ALA 164 Cb 1.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wdm h ALA 164 CO 0.20 0.56 -0.32 0.28 0.00 0.00 0.00 179.25 179.96 1wdm h VAL 165 N 1.20 1.27 0.00 0.00 2.07 -1.30 -0.91 116.25 118.58 1wdm h VAL 165 Ca 0.31 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1wdm h VAL 165 Cb -0.07 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1wdm h VAL 165 CO -0.06 0.50 -0.24 -0.08 0.02 0.00 0.00 177.57 177.71 1wdm h GLU 166 N 0.75 0.00 0.19 1.57 4.81 -0.87 -0.48 114.58 120.55 1wdm h GLU 166 Ca 0.07 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.96 1wdm h GLU 166 Cb 0.91 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.31 1wdm h GLU 166 CO 0.08 0.24 -1.67 -1.49 -0.73 0.00 0.00 179.01 175.45 1wdm h TRP 167 N 0.00 0.75 0.01 0.92 4.06 -0.66 -3.33 115.95 117.69 1wdm h TRP 167 Ca -0.00 -0.54 -0.01 0.00 2.06 0.00 0.00 58.89 60.39 1wdm h TRP 167 Cb 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1wdm h TRP 167 CO 0.00 1.62 -0.04 0.82 -3.56 0.00 0.00 178.44 177.28 1wdm h ILE 168 N 0.11 1.74 -0.02 1.49 2.04 -1.07 -2.05 117.51 119.75 1wdm h ILE 168 Ca -0.31 -2.24 0.01 0.00 1.00 0.00 0.00 64.86 63.31 1wdm h ILE 168 Cb 2.11 3.27 -0.00 0.00 -0.74 0.00 0.00 36.82 41.45 1wdm h ILE 168 CO 0.20 0.59 0.03 0.00 0.00 0.00 0.00 178.15 178.97 1wdm h ALA 169 N 0.06 1.45 0.00 1.87 0.00 -1.30 -2.69 119.26 118.65 1wdm h ALA 169 Ca -0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1wdm h ALA 169 Cb 0.99 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1wdm h ALA 169 CO 0.01 -0.05 -2.31 -1.13 0.00 0.00 0.00 179.25 175.77 1wdm n SER 170 N -3.66 0.05 -0.24 0.00 3.41 -1.25 -4.88 113.62 107.04 1wdm n SER 170 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.56 1wdm n SER 170 Cb 0.12 1.18 -0.01 0.00 -0.26 0.00 0.00 64.21 65.23 1wdm n SER 170 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wdm n GLY 171 N 1.67 0.32 3.73 5.00 0.00 -0.77 -4.92 105.19 110.23 1wdm n GLY 171 Ca -0.27 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1wdm n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wdm s LYS 172 N -2.15 2.54 0.18 1.61 -2.85 -1.26 -3.76 119.74 114.04 1wdm s LYS 172 Ca 0.00 1.91 -0.23 0.00 -1.00 0.00 0.00 55.97 56.65 1wdm s LYS 172 Cb 0.00 -1.86 -0.08 0.00 -2.06 0.00 0.00 37.83 33.83 1wdm s LYS 172 CO 0.00 -1.57 0.74 -1.21 0.10 0.00 0.00 175.35 173.41 1wdm s GLU 173 N -3.52 4.43 -0.09 1.78 2.02 -1.26 -4.24 118.70 117.81 1wdm s GLU 173 Ca 0.79 1.03 0.01 0.00 0.02 0.00 0.00 54.97 56.82 1wdm s GLU 173 Cb -0.33 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 1wdm s GLU 173 CO 0.40 0.52 -0.13 -0.80 0.02 0.00 0.00 175.26 175.27 1wdm s ASN 174 N -1.30 4.07 0.74 -0.19 0.01 0.45 -4.94 114.94 113.78 1wdm s ASN 174 Ca 0.37 -0.25 -0.12 0.00 -0.71 0.00 0.00 52.86 52.16 1wdm s ASN 174 Cb -0.21 -1.27 0.03 0.00 0.41 0.00 0.00 41.25 40.21 1wdm s ASN 174 CO 0.24 0.25 1.12 -0.13 -1.51 0.00 0.00 177.10 177.07 1wdm s ARG 175 N -0.16 2.61 0.18 -0.60 0.52 -1.26 -1.71 118.95 118.52 1wdm s ARG 175 Ca -0.00 0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 55.46 1wdm s ARG 175 Cb -0.13 -2.00 0.18 0.00 0.52 0.00 0.00 34.95 33.52 1wdm s ARG 175 CO 0.03 -1.20 1.71 0.00 0.02 0.00 0.00 175.30 175.87 1wdm h ALA 176 N -0.77 0.53 0.00 2.13 0.00 -1.79 -0.08 119.26 119.27 1wdm h ALA 176 Ca -0.45 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1wdm h ALA 176 Cb 1.27 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1wdm h ALA 176 CO 0.64 -0.32 -0.38 1.49 0.00 0.00 0.00 179.25 180.68 1wdm h GLU 177 N 0.21 -0.52 0.00 0.00 4.81 -1.93 -1.95 114.58 115.20 1wdm h GLU 177 Ca 0.24 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1wdm h GLU 177 Cb 0.33 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1wdm h GLU 177 CO -0.33 -0.35 -0.12 -0.44 -0.73 0.00 0.00 179.01 177.05 1wdm h ASP 178 N -0.54 0.00 -0.10 1.04 3.32 -1.91 -3.00 116.42 115.23 1wdm h ASP 178 Ca 0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1wdm h ASP 178 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1wdm h ASP 178 CO -0.30 0.12 -0.26 0.00 -1.72 0.00 0.00 179.24 177.08 1wdm h ALA 179 N 1.88 1.04 0.04 3.45 0.00 -0.26 -3.03 119.26 122.38 1wdm h ALA 179 Ca -0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 1wdm h ALA 179 Cb 0.73 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1wdm h ALA 179 CO 0.02 0.58 -1.42 1.25 0.00 0.00 0.00 179.25 179.68 1wdm h LEU 180 N 0.48 0.15 -1.88 0.00 6.46 -1.37 -0.15 115.31 119.00 1wdm h LEU 180 Ca 0.07 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1wdm h LEU 180 Cb 0.70 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1wdm h LEU 180 CO 0.05 1.17 -0.08 0.11 -0.62 0.00 0.00 178.44 179.08 1wdm h LYS 181 N 0.03 0.00 -0.11 1.25 1.57 -1.47 -1.16 116.57 116.68 1wdm h LYS 181 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1wdm h LYS 181 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1wdm h LYS 181 CO 0.13 0.08 0.00 1.33 -0.57 0.00 0.00 179.45 180.42 1wdm n VAL 182 N -4.37 0.12 -3.26 0.50 0.24 -1.15 -4.98 118.33 105.42 1wdm n VAL 182 Ca -0.03 -0.55 -0.18 0.00 -2.04 0.00 0.00 64.34 61.55 1wdm n VAL 182 Cb 0.16 1.34 0.06 0.00 -1.47 0.00 0.00 33.84 33.92 1wdm n VAL 182 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wdm n SER 183 N 1.34 -5.30 0.04 -1.34 7.64 -0.44 -4.45 113.62 111.10 1wdm n SER 183 Ca 0.15 -0.38 -0.07 0.00 1.01 0.00 0.00 58.87 59.58 1wdm n SER 183 Cb 0.59 -3.93 -0.12 0.00 -1.01 0.00 0.00 64.21 59.75 1wdm n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wdm h ALA 184 N 0.77 0.51 -3.95 -0.43 0.00 -1.27 -3.42 119.26 111.48 1wdm h ALA 184 Ca -0.43 -1.07 -0.54 0.00 0.00 0.00 0.00 54.91 52.88 1wdm h ALA 184 Cb 1.28 0.07 -0.31 0.00 0.00 0.00 0.00 17.79 18.83 1wdm h ALA 184 CO 0.42 1.32 -0.83 0.08 0.00 0.00 0.00 179.25 180.24 1wdm s VAL 185 N -2.69 1.31 0.14 0.00 1.01 -1.16 -4.91 120.40 114.09 1wdm s VAL 185 Ca -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1wdm s VAL 185 Cb 0.09 -1.12 -0.15 0.00 0.00 0.00 0.00 36.38 35.20 1wdm s VAL 185 CO 0.82 0.38 1.35 0.44 0.00 0.00 0.00 175.10 178.08 1wdm h ASP 186 N 6.19 0.58 -4.35 3.32 3.32 -1.39 -3.40 116.42 120.68 1wdm h ASP 186 Ca -0.33 -0.42 -0.17 0.00 0.02 0.00 0.00 57.03 56.12 1wdm h ASP 186 Cb 1.17 -0.17 -0.24 0.00 0.22 0.00 0.00 39.33 40.31 1wdm h ASP 186 CO 0.48 1.20 -0.54 0.00 -1.72 0.00 0.00 179.24 178.66 1wdm s ALA 187 N -3.45 -0.31 -0.06 3.45 0.00 -1.00 -5.04 121.76 115.35 1wdm s ALA 187 Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1wdm s ALA 187 Cb 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1wdm s ALA 187 CO 0.86 -0.13 -0.21 0.08 0.00 0.00 0.00 175.76 176.36 1wdm s VAL 188 N -0.62 2.39 0.00 0.00 1.01 -1.26 -1.05 120.40 120.86 1wdm s VAL 188 Ca -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1wdm s VAL 188 Cb -0.04 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1wdm s VAL 188 CO 0.01 0.57 0.00 1.33 0.00 0.00 0.00 175.10 177.01 1wdm n VAL 189 N 2.82 0.00 -3.58 2.92 0.24 -0.69 -4.96 118.33 115.07 1wdm n VAL 189 Ca -0.17 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.93 1wdm n VAL 189 Cb 0.52 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.88 1wdm n VAL 189 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wdm s THR 190 N -1.91 4.29 0.35 3.34 -4.23 -1.26 0.33 115.64 116.55 1wdm s THR 190 Ca 0.00 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1wdm s THR 190 Cb 0.00 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.66 1wdm s THR 190 CO 0.00 -0.19 1.90 0.00 -0.54 0.00 0.00 174.62 175.79 1wdm h ALA 191 N 0.96 1.76 0.00 3.99 0.00 -1.95 -1.56 119.26 122.46 1wdm h ALA 191 Ca -0.47 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1wdm h ALA 191 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wdm h ALA 191 CO 0.55 0.06 -0.72 -0.44 0.00 0.00 0.00 179.25 178.69 1wdm h ASP 192 N 0.75 0.00 -0.48 0.00 3.32 -2.03 -3.30 116.42 114.69 1wdm h ASP 192 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1wdm h ASP 192 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1wdm h ASP 192 CO -0.16 0.72 0.00 0.29 -1.72 0.00 0.00 179.24 178.37 1wdm n LYS 193 N -3.37 2.68 0.22 3.56 4.01 -1.02 -4.62 118.16 119.61 1wdm n LYS 193 Ca 0.01 -2.26 -0.15 0.00 -0.51 0.00 0.00 58.31 55.40 1wdm n LYS 193 Cb 0.79 -1.40 -0.08 0.00 -0.51 0.00 0.00 35.03 33.83 1wdm n LYS 193 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1wdm h LEU 194 N 3.08 -0.44 -1.31 -0.35 6.46 -1.37 -1.36 115.31 120.02 1wdm h LEU 194 Ca 0.00 -0.04 0.17 0.00 -0.12 0.00 0.00 57.88 57.89 1wdm h LEU 194 Cb 0.84 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.80 1wdm h LEU 194 CO 0.00 -0.24 0.59 1.23 -0.62 0.00 0.00 178.44 179.40 1wdm h GLY 195 N -0.61 1.19 0.68 3.75 0.00 -1.83 -1.06 103.07 105.19 1wdm h GLY 195 Ca -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1wdm h GLY 195 CO 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 176.54 176.65 1wdm h ALA 196 N 1.61 -0.06 -0.82 3.60 0.00 -1.79 -1.95 119.26 119.85 1wdm h ALA 196 Ca 0.47 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1wdm h ALA 196 Cb 0.87 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1wdm h ALA 196 CO -0.22 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 179.14 1wdm h ALA 197 N 0.56 1.16 0.86 0.00 0.00 -0.26 0.31 119.26 121.88 1wdm h ALA 197 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1wdm h ALA 197 Cb 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wdm h ALA 197 CO 0.01 0.15 -0.41 0.00 0.00 0.00 0.00 179.25 179.00 1wdm h ALA 198 N 1.43 -1.16 -0.82 0.00 0.00 -1.19 -1.32 119.26 116.21 1wdm h ALA 198 Ca 0.38 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1wdm h ALA 198 Cb 0.29 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 1wdm h ALA 198 CO -0.22 -1.08 0.31 1.25 0.00 0.00 0.00 179.25 179.51 1wdm h LEU 199 N -1.30 0.23 0.53 0.00 7.12 -1.12 -1.40 115.31 119.37 1wdm h LEU 199 Ca -0.12 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 1wdm h LEU 199 Cb 0.88 0.14 0.01 0.00 -0.53 0.00 0.00 40.66 41.16 1wdm h LEU 199 CO 0.19 0.02 -0.25 -0.78 -0.13 0.00 0.00 178.44 177.49 1wdm h ASP 200 N 0.38 -0.60 -0.60 1.25 1.82 -0.85 -2.79 116.42 115.03 1wdm h ASP 200 Ca 0.48 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 57.23 1wdm h ASP 200 Cb 0.84 0.16 -0.08 0.00 0.68 0.00 0.00 39.33 40.93 1wdm h ASP 200 CO -0.49 -0.40 0.17 0.25 -1.61 0.00 0.00 179.24 177.15 1wdm h LEU 201 N -0.75 0.09 -0.12 2.28 6.46 -0.50 -2.07 115.31 120.70 1wdm h LEU 201 Ca -0.07 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1wdm h LEU 201 Cb 0.56 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.55 1wdm h LEU 201 CO 0.12 0.06 -0.30 0.40 -0.62 0.00 0.00 178.44 178.10 1wdm h ILE 202 N 0.31 0.32 -0.87 4.05 1.08 -1.21 0.57 117.51 121.76 1wdm h ILE 202 Ca 0.31 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.95 1wdm h ILE 202 Cb 0.43 0.32 -0.10 0.00 -3.07 0.00 0.00 36.82 34.40 1wdm h ILE 202 CO -0.36 0.00 0.43 0.11 -0.69 0.00 0.00 178.15 177.63 1wdm h LYS 203 N -0.38 0.54 -0.19 2.37 1.57 -1.11 0.32 116.57 119.69 1wdm h LYS 203 Ca 0.09 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1wdm h LYS 203 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1wdm h LYS 203 CO -0.33 0.35 -0.32 0.00 -0.57 0.00 0.00 179.45 178.59 1wdm h ARG 204 N 0.55 0.38 -0.31 3.15 3.08 -0.78 0.19 114.38 120.63 1wdm h ARG 204 Ca 0.50 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.30 1wdm h ARG 204 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1wdm h ARG 204 CO -0.42 0.66 -0.17 0.00 -1.07 0.00 0.00 179.97 178.97 1wdm h ALA 205 N 1.34 0.44 -0.45 0.04 0.00 0.15 -0.95 119.26 119.84 1wdm h ALA 205 Ca 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1wdm h ALA 205 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1wdm h ALA 205 CO 0.06 0.36 -0.00 0.82 0.00 0.00 0.00 179.25 180.49 1wdm h ILE 206 N 0.43 1.26 0.00 0.00 2.04 -0.25 -2.52 117.51 118.47 1wdm h ILE 206 Ca 0.07 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1wdm h ILE 206 Cb 0.71 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1wdm h ILE 206 CO 0.05 0.36 0.00 -1.54 0.00 0.00 0.00 178.15 177.02 1wdm n SER 207 N -4.38 0.00 0.00 1.72 3.41 0.63 -4.81 113.62 110.19 1wdm n SER 207 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1wdm n SER 207 Cb 0.30 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1wdm n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wdm n GLY 208 N -0.75 1.37 0.37 5.00 0.00 -0.95 -4.92 105.19 105.30 1wdm n GLY 208 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1wdm n GLY 208 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wdm h GLU 209 N 3.22 -0.48 -5.24 1.61 4.81 -1.40 -3.38 114.58 113.73 1wdm h GLU 209 Ca 0.00 0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.66 1wdm h GLU 209 Cb 0.00 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 29.36 1wdm h GLU 209 CO 0.00 -0.32 -0.44 -0.51 -0.73 0.00 0.00 179.01 177.01 1wdm s LEU 210 N -10.36 4.16 -1.24 1.64 1.43 -1.01 -5.01 118.68 108.29 1wdm s LEU 210 Ca -0.16 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.99 1wdm s LEU 210 Cb 0.09 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1wdm s LEU 210 CO 0.65 0.09 1.80 -0.62 0.23 0.00 0.00 176.35 178.49 1wdm s ASP 211 N 0.77 6.17 0.48 2.29 -1.08 -1.26 -4.57 116.67 119.47 1wdm s ASP 211 Ca 0.10 -2.11 0.14 0.00 -0.52 0.00 0.00 52.55 50.17 1wdm s ASP 211 Cb -0.13 -2.58 1.11 0.00 -1.46 0.00 0.00 42.92 39.86 1wdm s ASP 211 CO 0.03 -1.87 2.07 0.10 0.52 0.00 0.00 175.17 176.02 1wdm h TYR 212 N 8.47 0.05 -0.32 -5.34 -0.00 -1.93 -1.68 116.97 116.22 1wdm h TYR 212 Ca 0.35 -0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.01 1wdm h TYR 212 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.60 1wdm h TYR 212 CO 1.34 0.12 -0.11 0.87 -0.00 0.00 0.00 178.16 180.38 1wdm h LYS 213 N 0.05 0.55 0.00 0.10 1.79 -1.96 -2.54 116.57 114.57 1wdm h LYS 213 Ca 0.01 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.23 1wdm h LYS 213 Cb 0.14 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1wdm h LYS 213 CO 0.01 0.66 -0.43 0.00 -1.08 0.00 0.00 179.45 178.61 1wdm h ALA 214 N 1.37 0.72 0.00 3.86 0.00 -1.73 -2.99 119.26 120.49 1wdm h ALA 214 Ca 0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1wdm h ALA 214 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wdm h ALA 214 CO 0.03 0.54 -0.56 -0.22 0.00 0.00 0.00 179.25 179.04 1wdm h LYS 215 N 0.00 0.00 0.21 0.00 3.64 -1.15 -3.31 116.57 115.96 1wdm h LYS 215 Ca -0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1wdm h LYS 215 Cb 1.32 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1wdm h LYS 215 CO 0.06 0.56 -1.42 -0.09 -2.27 0.00 0.00 179.45 176.29 1wdm h ARG 216 N 0.00 0.45 -0.98 1.90 2.43 -1.49 -3.38 114.38 113.31 1wdm h ARG 216 Ca -0.01 -0.77 0.21 0.00 -0.81 0.00 0.00 59.98 58.61 1wdm h ARG 216 Cb 1.42 0.29 -0.18 0.00 -0.42 0.00 0.00 29.97 31.07 1wdm h ARG 216 CO 0.07 1.37 -0.18 0.37 -1.51 0.00 0.00 179.97 180.09 1wdm h GLN 217 N 0.01 0.00 -0.98 0.20 5.75 -1.61 -2.47 115.11 116.01 1wdm h GLN 217 Ca -0.26 -0.00 0.34 0.00 -0.15 0.00 0.00 58.65 58.58 1wdm h GLN 217 Cb 2.03 -0.00 -0.17 0.00 1.07 0.00 0.00 27.48 30.41 1wdm h GLN 217 CO 0.22 0.00 0.37 -1.35 -2.65 0.00 0.00 178.83 175.42 1wdm h PRO 218 N 0.00 0.09 -0.81 -2.39 0.11 -1.74 0.26 132.00 127.53 1wdm h PRO 218 Ca 0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.57 1wdm h PRO 218 Cb 0.84 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1wdm h PRO 218 CO -0.98 0.06 0.04 0.36 -0.21 0.00 0.00 178.00 177.27 1wdm n LYS 219 N -5.27 2.87 -0.00 1.05 2.85 -0.93 -3.43 118.16 115.30 1wdm n LYS 219 Ca 0.31 -1.62 0.01 0.00 -1.05 0.00 0.00 58.31 55.95 1wdm n LYS 219 Cb 1.01 -1.87 -0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1wdm n LYS 219 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1wdm n LEU 220 N 0.24 0.04 -4.68 -5.58 4.77 0.91 -4.55 117.00 108.15 1wdm n LEU 220 Ca 0.16 -0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.66 1wdm n LEU 220 Cb 0.79 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.79 1wdm n LEU 220 CO 0.19 0.01 -0.22 -1.83 -1.33 0.00 0.00 177.39 174.21 1wdm s GLU 221 N -1.74 2.10 0.87 3.23 -1.05 -1.17 -2.90 118.70 118.05 1wdm s GLU 221 Ca -0.00 -1.99 -0.14 0.00 -0.15 0.00 0.00 54.97 52.69 1wdm s GLU 221 Cb 0.01 -1.81 0.01 0.00 -0.44 0.00 0.00 34.13 31.91 1wdm s GLU 221 CO 0.09 -0.10 0.44 0.36 0.95 0.00 0.00 175.26 177.00 1wdm n LYS 222 N -1.12 -0.07 -1.00 -4.83 2.85 -1.19 -4.81 118.16 108.00 1wdm n LYS 222 Ca -0.03 0.03 -0.33 0.00 -1.05 0.00 0.00 58.31 56.92 1wdm n LYS 222 Cb 0.66 -1.84 0.13 0.00 -0.65 0.00 0.00 35.03 33.33 1wdm n LYS 222 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1wdm n LEU 223 N -0.90 3.43 0.11 -5.58 4.77 -1.18 -4.94 117.00 112.71 1wdm n LEU 223 Ca 0.08 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.40 1wdm n LEU 223 Cb 0.52 -1.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.03 1wdm n LEU 223 CO 0.50 -2.10 -0.06 0.11 -1.33 0.00 0.00 177.39 174.51 1wdm h LYS 224 N -1.13 0.38 -6.36 3.23 1.57 -1.91 -3.47 116.57 108.87 1wdm h LYS 224 Ca -0.45 -0.60 -0.59 0.00 -1.87 0.00 0.00 60.65 57.14 1wdm h LYS 224 Cb 1.30 0.21 0.17 0.00 0.08 0.00 0.00 32.23 33.99 1wdm h LYS 224 CO 0.43 1.27 -0.59 1.28 -0.57 0.00 0.00 179.45 181.27 1wdm n LEU 225 N -3.62 -0.43 0.00 2.94 4.32 -1.26 -4.99 117.00 113.96 1wdm n LEU 225 Ca -0.10 0.73 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 1wdm n LEU 225 Cb 1.02 -1.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1wdm n LEU 225 CO 0.55 -3.49 0.00 -3.20 -1.22 0.00 0.00 177.39 170.04 1wdm n ASN 226 N 1.07 -0.50 0.01 -1.43 2.85 -1.26 -4.82 115.26 111.19 1wdm n ASN 226 Ca 0.11 -0.22 -0.22 0.00 -0.11 0.00 0.00 54.58 54.14 1wdm n ASN 226 Cb 0.47 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.35 1wdm n ASN 226 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wdm h ALA 227 N -2.00 0.28 -0.27 5.20 0.00 -1.99 -3.12 119.26 117.36 1wdm h ALA 227 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 54.91 53.62 1wdm h ALA 227 Cb 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wdm h ALA 227 CO 0.00 1.06 -0.04 0.82 0.00 0.00 0.00 179.25 181.09 1wdm h ILE 228 N -0.13 1.27 -0.20 0.00 1.08 -2.00 -2.85 117.51 114.69 1wdm h ILE 228 Ca -0.37 -1.01 -0.04 0.00 -0.39 0.00 0.00 64.86 63.06 1wdm h ILE 228 Cb 1.91 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 37.04 1wdm h ILE 228 CO 0.07 0.32 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.49 1wdm h GLU 229 N 0.26 0.30 0.65 2.37 4.39 -1.94 0.64 114.58 121.25 1wdm h GLU 229 Ca 0.07 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1wdm h GLU 229 Cb 0.49 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1wdm h GLU 229 CO 0.02 0.36 -0.31 1.96 -1.16 0.00 0.00 179.01 179.88 1wdm h GLN 230 N 0.30 -0.84 -0.73 2.33 4.20 -1.45 0.30 115.11 119.23 1wdm h GLN 230 Ca 0.07 0.06 0.16 0.00 0.06 0.00 0.00 58.65 58.99 1wdm h GLN 230 Cb 0.25 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 28.12 1wdm h GLN 230 CO 0.01 -0.56 0.17 1.98 -0.67 0.00 0.00 178.83 179.76 1wdm h MET 231 N -0.94 0.25 0.71 1.46 4.05 -1.34 0.72 114.93 119.84 1wdm h MET 231 Ca -0.09 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1wdm h MET 231 Cb 0.67 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1wdm h MET 231 CO 0.15 0.17 -0.47 1.98 0.23 0.00 0.00 176.91 178.96 1wdm h MET 232 N 0.26 -1.08 -0.79 0.39 1.85 -0.75 0.27 114.93 115.09 1wdm h MET 232 Ca 0.41 0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.56 1wdm h MET 232 Cb 0.69 0.25 -0.04 0.00 0.43 0.00 0.00 31.60 32.93 1wdm h MET 232 CO -0.51 -0.72 0.47 0.00 -0.40 0.00 0.00 176.91 175.75 1wdm h ALA 233 N -0.99 1.34 0.16 0.39 0.00 0.64 -3.01 119.26 117.79 1wdm h ALA 233 Ca -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wdm h ALA 233 Cb 0.91 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wdm h ALA 233 CO 0.07 0.56 -0.08 0.74 0.00 0.00 0.00 179.25 180.55 1wdm h PHE 234 N 1.09 -0.20 -0.85 0.00 0.05 0.51 -2.91 116.94 114.63 1wdm h PHE 234 Ca 0.28 -0.00 0.25 0.00 3.82 0.00 0.00 57.97 62.31 1wdm h PHE 234 Cb -0.03 0.06 -0.03 0.00 2.00 0.00 0.00 35.95 37.95 1wdm h PHE 234 CO 0.00 -0.06 0.63 0.93 -0.18 0.00 0.00 178.31 179.64 1wdm h GLU 235 N -1.04 0.00 0.17 1.51 4.39 -1.03 0.29 114.58 118.87 1wdm h GLU 235 Ca -0.02 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.38 1wdm h GLU 235 Cb 0.23 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1wdm h GLU 235 CO 0.04 0.00 -1.31 1.79 -1.16 0.00 0.00 179.01 178.36 1wdm h THR 236 N 0.00 1.38 -0.47 1.13 1.35 -1.65 -1.88 112.91 112.78 1wdm h THR 236 Ca 0.40 -2.81 -0.01 0.00 -0.55 0.00 0.00 66.41 63.44 1wdm h THR 236 Cb 1.66 2.91 -0.02 0.00 -1.73 0.00 0.00 68.15 70.97 1wdm h THR 236 CO -0.00 0.83 0.25 0.00 -0.25 0.00 0.00 175.52 176.34 1wdm h ALA 237 N 0.40 0.60 -0.09 6.62 0.00 -0.31 0.30 119.26 126.78 1wdm h ALA 237 Ca -0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1wdm h ALA 237 Cb 2.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1wdm h ALA 237 CO 0.23 0.14 0.03 0.87 0.00 0.00 0.00 179.25 180.52 1wdm h LYS 238 N 0.61 0.14 -0.94 0.00 1.57 -1.03 -0.28 116.57 116.64 1wdm h LYS 238 Ca 0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1wdm h LYS 238 Cb 0.08 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1wdm h LYS 238 CO -0.02 0.26 0.62 0.78 -0.57 0.00 0.00 179.45 180.52 1wdm h GLY 239 N -0.02 1.33 0.28 3.86 0.00 -1.01 -1.17 103.07 106.34 1wdm h GLY 239 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1wdm h GLY 239 CO -0.00 0.49 -0.14 -2.75 0.00 0.00 0.00 176.54 174.14 1wdm h PHE 240 N 1.28 -0.35 -0.45 5.60 3.57 -0.28 -2.53 116.94 123.78 1wdm h PHE 240 Ca 0.34 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.90 1wdm h PHE 240 Cb -0.14 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.63 1wdm h PHE 240 CO -0.00 -0.22 -0.51 0.28 -2.23 0.00 0.00 178.31 175.63 1wdm h VAL 241 N -0.61 0.04 -0.85 1.41 2.07 -1.07 -0.54 116.25 116.70 1wdm h VAL 241 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1wdm h VAL 241 Cb 0.29 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.04 1wdm h VAL 241 CO 0.06 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.21 1wdm h ALA 242 N 0.20 1.79 0.00 1.67 0.00 -1.34 0.67 119.26 122.24 1wdm h ALA 242 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wdm h ALA 242 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wdm h ALA 242 CO -0.61 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1wdm n GLY 243 N -1.44 -0.85 0.00 0.00 0.00 -0.25 -2.54 105.19 100.12 1wdm n GLY 243 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1wdm n GLY 243 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wdm n GLN 244 N -1.15 1.85 -0.03 1.61 7.27 0.16 -4.81 117.38 122.27 1wdm n GLN 244 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.06 1wdm n GLN 244 Cb 0.13 -0.87 -0.10 0.00 2.41 0.00 0.00 30.24 31.81 1wdm n GLN 244 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wdm h ALA 245 N 0.00 0.05 0.00 1.69 0.00 0.16 -3.51 119.26 117.65 1wdm h ALA 245 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wdm h ALA 245 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wdm h ALA 245 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1wdm n GLY 246 N 0.76 2.75 0.29 0.00 0.00 -1.05 -4.68 105.19 103.26 1wdm n GLY 246 Ca -0.09 -1.84 0.18 0.00 0.00 0.00 0.00 46.02 44.27 1wdm n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wdm h PRO 247 N 0.00 0.00 0.00 1.61 0.11 -1.98 -2.95 132.00 128.79 1wdm h PRO 247 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wdm h PRO 247 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wdm h PRO 247 CO 0.00 0.04 0.00 -0.91 -0.21 0.00 0.00 178.00 176.92 1wdm h ASN 248 N 0.00 0.00 -3.67 -2.05 2.35 -1.98 -3.40 115.58 106.83 1wdm h ASN 248 Ca -0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 1wdm h ASN 248 Cb 0.33 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.34 1wdm h ASN 248 CO 0.01 0.00 -0.57 -0.31 -1.65 0.00 0.00 177.43 174.90 1wdm s TYR 249 N -3.21 3.58 0.11 1.19 1.51 -1.12 -4.86 117.35 114.56 1wdm s TYR 249 Ca 0.08 -2.65 -0.13 0.00 -1.01 0.00 0.00 57.07 53.37 1wdm s TYR 249 Cb 0.10 -3.13 -0.10 0.00 -0.11 0.00 0.00 41.96 38.73 1wdm s TYR 249 CO 0.54 -0.94 1.39 -1.35 -1.11 0.00 0.00 175.55 174.08 1wdm h PRO 250 N 7.72 0.83 -0.64 -1.71 0.11 -1.84 -3.38 132.00 133.09 1wdm h PRO 250 Ca -0.09 -0.53 0.06 0.00 0.11 0.00 0.00 66.00 65.55 1wdm h PRO 250 Cb 1.02 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 1wdm h PRO 250 CO 0.66 1.16 -0.38 0.00 -0.21 0.00 0.00 178.00 179.23 1wdm n ALA 251 N -2.56 -0.41 -0.15 -0.75 0.00 -1.26 -0.69 120.51 114.69 1wdm n ALA 251 Ca -0.05 0.55 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 1wdm n ALA 251 Cb 0.61 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 1wdm n ALA 251 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wdm h PRO 252 N 0.00 -0.15 -0.46 0.00 0.11 -1.90 0.15 132.00 129.76 1wdm h PRO 252 Ca 0.10 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.27 1wdm h PRO 252 Cb 0.26 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 1wdm h PRO 252 CO -0.60 -0.10 0.20 0.28 -0.21 0.00 0.00 178.00 177.57 1wdm h VAL 253 N -0.15 0.92 -0.29 3.15 2.07 -1.69 -1.99 116.25 118.27 1wdm h VAL 253 Ca 0.06 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1wdm h VAL 253 Cb 0.32 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1wdm h VAL 253 CO -0.44 0.07 0.20 -0.33 0.02 0.00 0.00 177.57 177.09 1wdm h GLU 254 N 0.41 0.19 -0.88 1.57 4.39 -0.26 -0.24 114.58 119.75 1wdm h GLU 254 Ca 0.21 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1wdm h GLU 254 Cb 0.15 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1wdm h GLU 254 CO -0.17 0.12 0.46 0.00 -1.16 0.00 0.00 179.01 178.26 1wdm h ALA 255 N 1.84 1.14 -0.20 3.43 0.00 -0.20 -0.80 119.26 124.48 1wdm h ALA 255 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1wdm h ALA 255 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wdm h ALA 255 CO -0.02 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.65 1wdm h ILE 256 N 1.25 1.29 -0.70 0.00 2.04 -0.98 -2.55 117.51 117.86 1wdm h ILE 256 Ca 0.31 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1wdm h ILE 256 Cb 0.06 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1wdm h ILE 256 CO -0.05 0.32 0.46 0.11 0.00 0.00 0.00 178.15 179.00 1wdm h LYS 257 N 0.10 0.91 -0.60 2.37 1.57 -1.13 0.51 116.57 120.31 1wdm h LYS 257 Ca 0.05 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1wdm h LYS 257 Cb 0.52 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1wdm h LYS 257 CO 0.02 0.61 0.18 1.15 -0.57 0.00 0.00 179.45 180.84 1wdm h THR 258 N 0.94 1.23 0.13 -0.16 2.02 -1.01 0.93 112.91 117.00 1wdm h THR 258 Ca 0.26 -0.80 -0.28 0.00 0.77 0.00 0.00 66.41 66.35 1wdm h THR 258 Cb -0.10 0.57 0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1wdm h THR 258 CO -0.06 0.31 -1.24 0.40 0.37 0.00 0.00 175.52 175.30 1wdm h ILE 259 N 0.89 1.40 -0.63 3.11 2.04 -0.82 -2.95 117.51 120.55 1wdm h ILE 259 Ca 0.20 -2.78 -0.05 0.00 1.00 0.00 0.00 64.86 63.23 1wdm h ILE 259 Cb 0.27 2.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 1wdm h ILE 259 CO -0.01 0.82 0.20 -0.61 0.00 0.00 0.00 178.15 178.56 1wdm h GLN 260 N 0.15 0.96 0.26 2.37 4.15 0.28 -3.18 115.11 120.10 1wdm h GLN 260 Ca -0.16 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.06 1wdm h GLN 260 Cb 1.94 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.48 1wdm h GLN 260 CO 0.22 0.82 -0.12 0.87 -1.93 0.00 0.00 178.83 178.69 1wdm h LYS 261 N 0.93 -0.33 -2.28 1.69 1.57 -0.87 -3.25 116.57 114.03 1wdm h LYS 261 Ca 0.21 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1wdm h LYS 261 Cb 0.26 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1wdm h LYS 261 CO -0.01 -0.22 -0.13 0.00 -0.57 0.00 0.00 179.45 178.52 1wdm n ALA 262 N -2.27 4.81 1.21 3.86 0.00 -1.11 -4.17 120.51 122.83 1wdm n ALA 262 Ca -0.04 -1.28 0.13 0.00 0.00 0.00 0.00 53.44 52.24 1wdm n ALA 262 Cb 0.14 -2.28 0.31 0.00 0.00 0.00 0.00 19.45 17.62 1wdm n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wdm n ALA 263 N 2.62 3.15 -1.00 0.00 0.00 -1.20 -4.06 120.51 120.01 1wdm n ALA 263 Ca 0.30 -0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1wdm n ALA 263 Cb 0.65 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 19.04 1wdm n ALA 263 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wdm n ASN 264 N -0.51 0.56 -4.91 0.00 3.02 -1.26 -3.11 115.26 109.06 1wdm n ASN 264 Ca 0.12 -1.54 -0.20 0.00 -0.03 0.00 0.00 54.58 52.93 1wdm n ASN 264 Cb 0.37 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1wdm n ASN 264 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1wdm s PHE 265 N -0.40 2.88 0.00 3.10 2.99 -1.26 -4.68 117.98 120.61 1wdm s PHE 265 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 56.93 56.60 1wdm s PHE 265 Cb 0.02 -2.02 0.00 0.00 0.00 0.00 0.00 43.02 41.02 1wdm s PHE 265 CO 0.00 -0.03 0.00 0.41 -0.00 0.00 0.00 175.22 175.61 1wdm n GLY 266 N -1.54 0.04 0.04 4.36 0.00 -1.26 -3.15 105.19 103.67 1wdm n GLY 266 Ca 0.01 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 1wdm n GLY 266 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wdm h ARG 267 N 0.00 -0.08 -0.72 1.61 2.43 -1.77 -1.94 114.38 113.91 1wdm h ARG 267 Ca 0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1wdm h ARG 267 Cb 0.00 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.47 1wdm h ARG 267 CO 0.00 -0.05 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.43 1wdm h ASP 268 N -0.08 -1.91 -0.98 -3.80 3.32 -1.95 0.25 116.42 111.26 1wdm h ASP 268 Ca -0.01 0.28 0.09 0.00 0.02 0.00 0.00 57.03 57.41 1wdm h ASP 268 Cb 0.07 0.82 -0.07 0.00 0.22 0.00 0.00 39.33 40.37 1wdm h ASP 268 CO 0.01 -0.28 0.63 0.11 -1.72 0.00 0.00 179.24 177.99 1wdm h LYS 269 N -0.14 1.03 -0.62 3.56 6.56 -1.95 -0.80 116.57 124.21 1wdm h LYS 269 Ca 0.12 -0.06 -0.06 0.00 -1.06 0.00 0.00 60.65 59.58 1wdm h LYS 269 Cb 0.45 -0.23 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 1wdm h LYS 269 CO -0.75 0.68 0.14 0.00 -2.06 0.00 0.00 179.45 177.46 1wdm h ALA 270 N 1.50 1.07 -0.79 3.86 0.00 -0.11 -2.55 119.26 122.24 1wdm h ALA 270 Ca 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1wdm h ALA 270 Cb 0.32 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1wdm h ALA 270 CO -0.20 0.61 0.47 -0.07 0.00 0.00 0.00 179.25 180.05 1wdm h LEU 271 N 0.94 0.96 -0.24 0.00 3.38 0.83 -2.45 115.31 118.72 1wdm h LEU 271 Ca 0.20 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1wdm h LEU 271 Cb 0.35 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1wdm h LEU 271 CO 0.00 0.75 0.01 -0.33 0.09 0.00 0.00 178.44 178.96 1wdm h GLU 272 N 1.09 0.08 -0.03 1.13 5.08 -0.98 0.37 114.58 121.33 1wdm h GLU 272 Ca 0.28 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1wdm h GLU 272 Cb -0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1wdm h GLU 272 CO -0.05 0.06 0.02 0.28 -1.00 0.00 0.00 179.01 178.32 1wdm h VAL 273 N 0.09 0.76 0.47 3.13 2.07 -1.28 0.14 116.25 121.63 1wdm h VAL 273 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1wdm h VAL 273 Cb 0.14 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1wdm h VAL 273 CO -0.19 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 177.09 1wdm h GLU 274 N 0.00 -0.61 -0.27 1.57 4.81 -0.51 -3.20 114.58 116.36 1wdm h GLU 274 Ca 0.01 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1wdm h GLU 274 Cb 0.06 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1wdm h GLU 274 CO -0.00 -0.36 0.06 0.00 -0.73 0.00 0.00 179.01 177.98 1wdm h ALA 275 N -1.03 1.60 -0.44 2.92 0.00 -0.94 -1.48 119.26 119.89 1wdm h ALA 275 Ca -0.06 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wdm h ALA 275 Cb 0.53 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1wdm h ALA 275 CO 0.11 0.30 -0.30 0.00 0.00 0.00 0.00 179.25 179.36 1wdm h ALA 276 N 1.69 -0.09 0.20 0.00 0.00 -0.77 0.17 119.26 120.45 1wdm h ALA 276 Ca 0.09 0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 1wdm h ALA 276 Cb 0.16 0.68 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1wdm h ALA 276 CO -0.00 -0.68 -1.39 0.78 0.00 0.00 0.00 179.25 177.95 1wdm h GLY 277 N -0.21 0.49 0.30 0.00 0.00 -1.51 -3.21 103.07 98.92 1wdm h GLY 277 Ca 0.19 -1.24 0.12 0.00 0.00 0.00 0.00 47.33 46.41 1wdm h GLY 277 CO -0.56 1.09 0.37 -2.75 0.00 0.00 0.00 176.54 174.69 1wdm h PHE 278 N 0.12 0.66 -0.46 5.60 3.57 -0.79 0.89 116.94 126.52 1wdm h PHE 278 Ca -0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1wdm h PHE 278 Cb 2.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 1wdm h PHE 278 CO 0.10 0.18 0.24 0.00 -2.23 0.00 0.00 178.31 176.60 1wdm h ALA 279 N 1.51 0.59 0.15 2.41 0.00 -0.77 -1.99 119.26 121.17 1wdm h ALA 279 Ca 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1wdm h ALA 279 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wdm h ALA 279 CO -0.34 0.13 -0.07 -0.22 0.00 0.00 0.00 179.25 178.76 1wdm h LYS 280 N 0.61 -0.20 -0.35 0.00 3.64 -1.11 -3.20 116.57 115.95 1wdm h LYS 280 Ca 0.16 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1wdm h LYS 280 Cb 0.08 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1wdm h LYS 280 CO -0.02 -0.09 0.12 -0.07 -2.27 0.00 0.00 179.45 177.11 1wdm h LEU 281 N -0.24 0.13 -1.75 5.20 3.38 -0.80 -2.02 115.31 119.20 1wdm h LEU 281 Ca -0.02 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1wdm h LEU 281 Cb 0.19 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1wdm h LEU 281 CO 0.03 0.11 0.53 0.00 0.09 0.00 0.00 178.44 179.21 1wdm h ALA 282 N 1.23 1.94 0.00 1.53 0.00 -1.35 0.88 119.26 123.48 1wdm h ALA 282 Ca 0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1wdm h ALA 282 Cb 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wdm h ALA 282 CO -0.17 -0.69 -1.74 1.63 0.00 0.00 0.00 179.25 178.29 1wdm n LYS 283 N -3.31 0.65 -0.80 0.00 4.76 -0.78 -4.56 118.16 114.12 1wdm n LYS 283 Ca 0.05 -0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.16 1wdm n LYS 283 Cb 0.67 -1.64 0.12 0.00 -1.84 0.00 0.00 35.03 32.34 1wdm n LYS 283 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1wdm n THR 284 N -2.56 0.05 0.20 -0.18 -2.24 0.30 -4.87 114.28 104.98 1wdm n THR 284 Ca -0.09 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1wdm n THR 284 Cb 0.72 -0.67 0.29 0.00 -2.10 0.00 0.00 70.33 68.58 1wdm n THR 284 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1wdm h SER 285 N -1.57 0.00 -0.05 3.42 0.87 -1.94 -3.19 113.55 111.09 1wdm h SER 285 Ca -0.43 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1wdm h SER 285 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1wdm h SER 285 CO 0.35 0.28 -0.17 0.00 -0.53 0.00 0.00 176.83 176.75 1wdm h ALA 286 N 1.72 0.09 -0.77 6.23 0.00 -1.89 -3.19 119.26 121.45 1wdm h ALA 286 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wdm h ALA 286 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1wdm h ALA 286 CO 0.04 0.03 0.00 0.45 0.00 0.00 0.00 179.25 179.77 1wdm n SER 287 N -4.58 0.00 0.00 0.00 2.88 -1.21 -1.15 113.62 109.56 1wdm n SER 287 Ca -0.08 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1wdm n SER 287 Cb 0.41 -0.37 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1wdm n SER 287 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wdm n ASN 288 N -1.90 0.00 -0.12 -3.46 2.04 -1.22 -0.77 115.26 109.83 1wdm n ASN 288 Ca 0.00 -0.02 -0.24 0.00 -0.44 0.00 0.00 54.58 53.88 1wdm n ASN 288 Cb 0.00 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.14 1wdm n ASN 288 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wdm h LEU 290 N -0.48 0.69 -2.26 0.00 3.38 0.35 -1.08 115.31 115.91 1wdm h LEU 290 Ca -0.61 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.03 1wdm h LEU 290 Cb 1.75 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1wdm h LEU 290 CO -0.23 0.91 0.20 0.40 0.09 0.00 0.00 178.44 179.82 1wdm h ILE 291 N 0.46 0.40 -0.10 1.22 2.04 -1.15 0.64 117.51 121.02 1wdm h ILE 291 Ca 0.08 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.76 1wdm h ILE 291 Cb 0.63 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1wdm h ILE 291 CO 0.04 0.00 -0.71 1.23 0.00 0.00 0.00 178.15 178.71 1wdm h GLY 292 N 0.00 0.52 0.95 5.37 0.00 -1.27 -1.73 103.07 106.91 1wdm h GLY 292 Ca 0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1wdm h GLY 292 CO -0.00 0.64 0.16 1.41 0.00 0.00 0.00 176.54 178.75 1wdm h LEU 293 N 0.33 0.40 -0.60 3.11 3.38 0.71 -1.20 115.31 121.43 1wdm h LEU 293 Ca -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1wdm h LEU 293 Cb 1.29 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1wdm h LEU 293 CO 0.13 0.39 0.31 0.15 0.09 0.00 0.00 178.44 179.51 1wdm h PHE 294 N 0.37 0.84 0.00 1.13 3.04 -1.29 0.52 116.94 121.55 1wdm h PHE 294 Ca 0.11 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 1wdm h PHE 294 Cb 0.10 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1wdm h PHE 294 CO -0.02 0.62 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.81 1wdm h LEU 295 N 0.82 0.00 -0.03 0.59 3.38 -0.96 -0.41 115.31 118.70 1wdm h LEU 295 Ca 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1wdm h LEU 295 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wdm h LEU 295 CO -0.03 0.01 -0.70 0.78 0.09 0.00 0.00 178.44 178.58 1wdm h ASN 296 N 0.00 0.67 -0.49 -0.43 -0.26 -0.05 -3.19 115.58 111.82 1wdm h ASN 296 Ca -0.00 -0.73 0.08 0.00 -0.56 0.00 0.00 56.30 55.09 1wdm h ASN 296 Cb 0.01 -0.20 -0.07 0.00 -1.06 0.00 0.00 38.32 37.00 1wdm h ASN 296 CO 0.00 1.30 0.11 -0.78 -1.06 0.00 0.00 177.43 177.00 1wdm h ASP 297 N 0.09 0.03 -0.77 5.81 -0.00 0.62 -0.49 116.42 121.71 1wdm h ASP 297 Ca -0.08 0.08 0.16 0.00 -0.00 0.00 0.00 57.03 57.19 1wdm h ASP 297 Cb 1.38 0.11 -0.10 0.00 -0.00 0.00 0.00 39.33 40.72 1wdm h ASP 297 CO 0.14 0.05 0.27 1.56 -0.00 0.00 0.00 179.24 181.26 1wdm h GLN 298 N 0.25 0.37 -0.53 0.28 1.08 -1.22 0.44 115.11 115.79 1wdm h GLN 298 Ca 0.24 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.37 1wdm h GLN 298 Cb 0.31 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1wdm h GLN 298 CO -0.31 0.25 0.11 0.93 -0.95 0.00 0.00 178.83 178.86 1wdm h GLU 299 N 0.38 0.85 -0.94 1.46 5.08 -1.13 0.05 114.58 120.34 1wdm h GLU 299 Ca 0.43 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1wdm h GLU 299 Cb 0.71 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1wdm h GLU 299 CO -0.45 0.82 0.61 -0.07 -1.00 0.00 0.00 179.01 178.91 1wdm h LEU 300 N 0.74 0.98 -0.20 1.33 3.38 0.11 0.24 115.31 121.91 1wdm h LEU 300 Ca 0.16 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1wdm h LEU 300 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1wdm h LEU 300 CO 0.00 0.66 -0.91 0.11 0.09 0.00 0.00 178.44 178.39 1wdm h LYS 301 N 1.13 0.04 -0.44 1.13 1.57 -0.87 -1.48 116.57 117.65 1wdm h LYS 301 Ca 0.39 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1wdm h LYS 301 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1wdm h LYS 301 CO -0.13 0.92 0.04 0.87 -0.57 0.00 0.00 179.45 180.58 1wdm h LYS 302 N 0.02 0.76 0.00 3.15 1.79 0.08 -1.85 116.57 120.52 1wdm h LYS 302 Ca -0.02 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1wdm h LYS 302 Cb 1.60 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1wdm h LYS 302 CO 0.12 0.80 0.00 1.63 -1.08 0.00 0.00 179.45 180.92 1wdm n LYS 303 N -4.44 0.43 -0.02 3.15 5.02 0.76 -3.46 118.16 119.60 1wdm n LYS 303 Ca 0.00 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1wdm n LYS 303 Cb 0.27 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1wdm n LYS 303 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wdm h ALA 304 N 3.39 0.12 -0.62 7.82 0.00 -0.45 -3.28 119.26 126.25 1wdm h ALA 304 Ca 0.00 -0.95 0.09 0.00 0.00 0.00 0.00 54.91 54.05 1wdm h ALA 304 Cb 0.26 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1wdm h ALA 304 CO 0.00 0.60 0.41 0.87 0.00 0.00 0.00 179.25 181.13 1wdm h LYS 305 N -0.54 0.47 -0.02 0.00 1.57 -1.47 0.24 116.57 116.81 1wdm h LYS 305 Ca -0.24 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 1wdm h LYS 305 Cb 1.54 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1wdm h LYS 305 CO 0.02 0.31 -0.34 0.28 -0.57 0.00 0.00 179.45 179.15 1wdm h VAL 306 N 0.48 1.25 -0.01 0.50 2.07 -1.68 -2.92 116.25 115.94 1wdm h VAL 306 Ca 0.28 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1wdm h VAL 306 Cb 0.47 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1wdm h VAL 306 CO -0.08 0.34 -0.04 1.88 0.02 0.00 0.00 177.57 179.69 1wdm h TYR 307 N 0.03 0.06 0.00 1.57 0.99 -0.62 -3.21 116.97 115.79 1wdm h TYR 307 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1wdm h TYR 307 Cb 0.62 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.34 1wdm h TYR 307 CO 0.00 0.67 0.01 -0.25 -0.00 0.00 0.00 178.16 178.58 1wdm n ASP 308 N -4.74 0.42 -0.27 3.88 8.00 -0.68 -1.66 116.55 121.50 1wdm n ASP 308 Ca -0.09 0.70 -0.05 0.00 0.71 0.00 0.00 54.79 56.06 1wdm n ASP 308 Cb 0.34 -0.75 0.06 0.00 -0.02 0.00 0.00 41.12 40.75 1wdm n ASP 308 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1wdm h LYS 309 N 0.00 1.03 -0.02 -1.24 6.56 -1.52 -3.23 116.57 118.15 1wdm h LYS 309 Ca 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1wdm h LYS 309 Cb 0.01 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 1wdm h LYS 309 CO 0.00 0.75 0.00 0.44 -2.06 0.00 0.00 179.45 178.58 1wdm n ILE 310 N -4.48 0.59 -2.65 1.86 -5.35 -0.95 -5.02 119.36 103.37 1wdm n ILE 310 Ca 0.07 -0.80 -0.43 0.00 -0.27 0.00 0.00 62.75 61.33 1wdm n ILE 310 Cb 0.07 0.71 -0.02 0.00 -1.74 0.00 0.00 39.64 38.66 1wdm n ILE 310 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wdm s ALA 311 N -0.63 3.48 -0.31 -1.28 0.00 -0.66 -4.81 121.76 117.55 1wdm s ALA 311 Ca 0.02 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.12 1wdm s ALA 311 Cb 0.01 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1wdm s ALA 311 CO 0.02 -0.73 0.79 0.15 0.00 0.00 0.00 175.76 175.99 1wdm s LYS 312 N 2.32 3.97 0.60 0.00 1.02 -1.26 -4.89 119.74 121.50 1wdm s LYS 312 Ca 0.49 0.59 -0.19 0.00 0.02 0.00 0.00 55.97 56.88 1wdm s LYS 312 Cb -0.19 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1wdm s LYS 312 CO 0.16 -0.68 1.16 -3.47 -0.92 0.00 0.00 175.35 171.60 1wdm n ASP 313 N 6.21 1.63 -4.45 2.83 -0.08 -1.26 -4.72 116.55 116.71 1wdm n ASP 313 Ca 0.04 0.85 -0.41 0.00 -1.51 0.00 0.00 54.79 53.76 1wdm n ASP 313 Cb 0.48 -1.49 -0.11 0.00 2.34 0.00 0.00 41.12 42.35 1wdm n ASP 313 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wdm s VAL 314 N -1.41 4.96 -0.07 5.18 1.01 -1.26 -4.93 120.40 123.88 1wdm s VAL 314 Ca 0.77 -0.58 0.22 0.00 0.00 0.00 0.00 61.98 62.38 1wdm s VAL 314 Cb -0.41 -3.68 -0.29 0.00 0.00 0.00 0.00 36.38 32.00 1wdm s VAL 314 CO 0.45 -0.16 0.52 0.29 0.00 0.00 0.00 175.10 176.19 1wdm n LYS 315 N 5.07 0.66 -3.49 2.72 5.02 -1.26 -4.83 118.16 122.05 1wdm n LYS 315 Ca -0.12 -0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 55.80 1wdm n LYS 315 Cb 0.48 -1.56 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 1wdm n LYS 315 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1wdm s GLN 316 N -3.41 0.23 0.45 1.97 2.00 -1.26 -4.28 119.66 115.36 1wdm s GLN 316 Ca -0.07 -0.27 0.04 0.00 -2.00 0.00 0.00 55.36 53.06 1wdm s GLN 316 Cb 0.13 -1.03 0.01 0.00 0.80 0.00 0.00 33.01 32.91 1wdm s GLN 316 CO 0.89 -0.95 0.63 0.00 -0.50 0.00 0.00 175.29 175.35 1wdm s ALA 317 N 2.22 4.15 -0.16 1.58 0.00 -0.61 -0.21 121.76 128.73 1wdm s ALA 317 Ca 0.08 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 1wdm s ALA 317 Cb -0.15 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.17 1wdm s ALA 317 CO -0.30 -0.39 0.40 0.00 0.00 0.00 0.00 175.76 175.47 1wdm s ALA 318 N -2.47 -1.01 -0.04 0.00 0.00 -0.67 -1.59 121.76 115.96 1wdm s ALA 318 Ca 0.53 1.47 0.05 0.00 0.00 0.00 0.00 51.96 54.00 1wdm s ALA 318 Cb -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1wdm s ALA 318 CO 0.35 -0.26 -0.17 0.54 0.00 0.00 0.00 175.76 176.22 1wdm s VAL 319 N 1.32 2.80 -0.36 0.00 0.11 0.31 0.27 120.40 124.84 1wdm s VAL 319 Ca -0.09 -0.82 -0.14 0.00 -2.93 0.00 0.00 61.98 58.00 1wdm s VAL 319 Cb -0.08 -2.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1wdm s VAL 319 CO -0.12 0.59 0.28 -0.76 -3.33 0.00 0.00 175.10 171.76 1wdm s LEU 320 N -0.67 4.66 0.00 2.54 1.43 -0.49 -1.66 118.68 124.48 1wdm s LEU 320 Ca 0.10 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1wdm s LEU 320 Cb -0.11 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1wdm s LEU 320 CO 0.00 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.88 1wdm n GLY 321 N 5.10 -0.21 0.00 -3.19 0.00 0.19 -1.18 105.19 105.90 1wdm n GLY 321 Ca -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1wdm n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdm n ALA 322 N 2.09 0.00 0.00 4.61 0.00 -1.25 -3.51 120.51 122.45 1wdm n ALA 322 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wdm n ALA 322 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wdm n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdm n GLY 323 N 5.00 0.29 0.00 0.00 0.00 -1.25 -3.59 105.19 105.64 1wdm n GLY 323 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1wdm n GLY 323 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wdm n ILE 324 N 0.00 0.00 -0.12 -0.61 5.41 -1.26 0.23 119.36 123.01 1wdm n ILE 324 Ca 0.00 1.00 -0.09 0.00 1.00 0.00 0.00 62.75 64.66 1wdm n ILE 324 Cb 0.00 -1.62 0.06 0.00 -0.71 0.00 0.00 39.64 37.36 1wdm n ILE 324 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1wdm h MET 325 N 0.00 0.87 0.27 0.38 2.86 -1.91 -3.06 114.93 114.34 1wdm h MET 325 Ca 0.00 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1wdm h MET 325 Cb 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1wdm h MET 325 CO 0.00 0.99 -0.21 0.78 1.06 0.00 0.00 176.91 179.53 1wdm h GLY 326 N 0.94 -0.49 1.97 8.32 0.00 -1.59 -0.54 103.07 111.68 1wdm h GLY 326 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1wdm h GLY 326 CO 0.06 -0.20 0.01 -1.33 0.00 0.00 0.00 176.54 175.08 1wdm h GLY 327 N -0.48 0.00 0.35 4.60 0.00 -0.28 -0.13 103.07 107.13 1wdm h GLY 327 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1wdm h GLY 327 CO -0.01 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.08 1wdm h GLY 328 N 0.00 -0.36 0.59 4.60 0.00 -1.33 0.23 103.07 106.80 1wdm h GLY 328 Ca 0.01 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.55 1wdm h GLY 328 CO -0.00 -0.13 0.40 -2.22 0.00 0.00 0.00 176.54 174.59 1wdm h ILE 329 N -1.00 0.93 -0.15 2.60 2.04 -0.96 0.23 117.51 121.19 1wdm h ILE 329 Ca -0.03 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1wdm h ILE 329 Cb 0.44 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1wdm h ILE 329 CO 0.06 0.13 0.09 0.00 0.00 0.00 0.00 178.15 178.42 1wdm h ALA 330 N 1.40 0.19 0.63 1.87 0.00 -1.09 -0.32 119.26 121.94 1wdm h ALA 330 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1wdm h ALA 330 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wdm h ALA 330 CO -0.22 -0.30 -0.47 -0.92 0.00 0.00 0.00 179.25 177.33 1wdm h TYR 331 N 0.16 -1.29 -0.24 0.00 3.20 0.09 -2.25 116.97 116.64 1wdm h TYR 331 Ca 0.05 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1wdm h TYR 331 Cb 0.03 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 1wdm h TYR 331 CO -0.05 -0.67 -0.38 1.96 -1.64 0.00 0.00 178.16 177.37 1wdm h GLN 332 N -1.06 -0.38 -0.35 1.82 1.08 -0.53 0.35 115.11 116.05 1wdm h GLN 332 Ca -0.08 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.21 1wdm h GLN 332 Cb 0.88 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 28.31 1wdm h GLN 332 CO 0.03 -0.25 -0.35 1.03 -0.95 0.00 0.00 178.83 178.34 1wdm h SER 333 N -0.39 -1.15 -0.49 1.46 0.87 -1.01 -1.40 113.55 111.45 1wdm h SER 333 Ca 0.11 0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 1wdm h SER 333 Cb 0.58 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1wdm h SER 333 CO -0.45 -0.34 -0.03 0.00 -0.53 0.00 0.00 176.83 175.48 1wdm h ALA 334 N 0.62 0.66 0.00 6.23 0.00 -1.03 -1.65 119.26 124.08 1wdm h ALA 334 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wdm h ALA 334 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wdm h ALA 334 CO -0.51 0.50 0.00 0.77 0.00 0.00 0.00 179.25 180.01 1wdm h SER 335 N 0.74 0.00 -0.32 0.00 0.02 0.34 -1.46 113.55 112.88 1wdm h SER 335 Ca 0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1wdm h SER 335 Cb 0.56 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.02 1wdm h SER 335 CO 0.03 0.00 -0.05 0.29 -1.14 0.00 0.00 176.83 175.96 1wdm n LYS 336 N -2.67 2.07 -3.06 3.45 4.76 -0.59 -4.97 118.16 117.14 1wdm n LYS 336 Ca -0.02 -3.08 -0.13 0.00 -2.87 0.00 0.00 58.31 52.20 1wdm n LYS 336 Cb 0.06 -1.82 0.05 0.00 -1.84 0.00 0.00 35.03 31.48 1wdm n LYS 336 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wdm n GLY 337 N -1.00 0.02 2.65 0.72 0.00 -0.55 -4.89 105.19 102.14 1wdm n GLY 337 Ca 0.30 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1wdm n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wdm s THR 338 N -3.20 -0.22 0.56 2.61 2.01 -0.66 -5.02 115.64 111.72 1wdm s THR 338 Ca 0.24 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 1wdm s THR 338 Cb -0.10 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 1wdm s THR 338 CO 0.44 -0.56 0.63 -2.65 -0.69 0.00 0.00 174.62 171.79 1wdm n PRO 339 N 5.28 0.62 -3.69 4.92 -0.02 -1.26 -3.04 135.00 137.81 1wdm n PRO 339 Ca -0.04 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1wdm n PRO 339 Cb 0.45 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 1wdm n PRO 339 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1wdm s ILE 340 N -1.65 -0.00 0.04 4.25 2.07 -1.19 -1.58 121.20 123.15 1wdm s ILE 340 Ca 0.70 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.76 1wdm s ILE 340 Cb -0.45 -0.75 -0.06 0.00 0.13 0.00 0.00 42.46 41.32 1wdm s ILE 340 CO 0.53 0.00 0.53 -0.76 -1.91 0.00 0.00 174.94 173.33 1wdm s LEU 341 N 0.30 4.50 -0.77 8.50 1.43 -0.62 -2.19 118.68 129.83 1wdm s LEU 341 Ca -0.00 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1wdm s LEU 341 Cb -0.04 -2.81 0.19 0.00 0.03 0.00 0.00 46.19 43.56 1wdm s LEU 341 CO 0.01 0.27 0.62 -0.32 0.23 0.00 0.00 176.35 177.16 1wdm s MET 342 N -1.00 2.93 0.45 1.70 1.75 -0.47 -0.53 119.30 124.12 1wdm s MET 342 Ca 0.28 -3.01 -0.19 0.00 -1.25 0.00 0.00 55.69 51.51 1wdm s MET 342 Cb -0.19 -3.82 -0.10 0.00 2.84 0.00 0.00 34.83 33.57 1wdm s MET 342 CO 0.17 -1.23 0.94 0.21 -0.65 0.00 0.00 175.02 174.46 1wdm s LYS 343 N -0.89 4.10 0.23 4.11 2.36 -0.66 -2.64 119.74 126.35 1wdm s LYS 343 Ca 0.23 1.01 -0.13 0.00 -2.55 0.00 0.00 55.97 54.53 1wdm s LYS 343 Cb -0.12 -2.19 0.05 0.00 -1.05 0.00 0.00 37.83 34.52 1wdm s LYS 343 CO -0.09 -0.10 0.67 -3.47 1.55 0.00 0.00 175.35 173.91 1wdm n ASP 344 N -0.96 -1.56 -0.12 1.43 -0.08 -1.00 0.54 116.55 114.80 1wdm n ASP 344 Ca 0.06 -1.99 -0.18 0.00 -1.51 0.00 0.00 54.79 51.17 1wdm n ASP 344 Cb 0.54 2.58 -0.11 0.00 2.34 0.00 0.00 41.12 46.47 1wdm n ASP 344 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wdm n ILE 345 N -0.46 1.42 -4.70 5.18 -5.35 -1.26 -4.41 119.36 109.79 1wdm n ILE 345 Ca -0.05 -0.53 -0.28 0.00 -0.27 0.00 0.00 62.75 61.62 1wdm n ILE 345 Cb 0.44 -1.41 -0.14 0.00 -1.74 0.00 0.00 39.64 36.79 1wdm n ILE 345 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1wdm s ASN 346 N -6.46 2.88 0.32 7.28 2.20 -1.26 -5.01 114.94 114.89 1wdm s ASN 346 Ca -0.34 -0.59 0.09 0.00 -0.94 0.00 0.00 52.86 51.08 1wdm s ASN 346 Cb 0.09 -0.24 0.89 0.00 -2.00 0.00 0.00 41.25 39.99 1wdm s ASN 346 CO 0.56 0.20 1.72 1.05 -2.94 0.00 0.00 177.10 177.69 1wdm h GLU 347 N 4.65 0.51 -0.81 3.55 -0.00 -1.98 0.41 114.58 120.92 1wdm h GLU 347 Ca -0.46 -0.03 0.10 0.00 -0.00 0.00 0.00 59.36 58.98 1wdm h GLU 347 Cb 1.15 -0.12 -0.08 0.00 -0.00 0.00 0.00 28.75 29.71 1wdm h GLU 347 CO 0.43 0.34 0.44 1.25 -0.00 0.00 0.00 179.01 181.47 1wdm h HIS 348 N 0.53 0.79 0.38 2.06 -0.00 -1.99 -1.25 115.15 115.66 1wdm h HIS 348 Ca 0.64 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 61.04 1wdm h HIS 348 Cb 1.25 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.41 1wdm h HIS 348 CO -0.03 0.29 -0.36 0.78 -0.00 0.00 0.00 177.93 178.61 1wdm h GLY 349 N 0.72 -0.85 1.06 5.26 0.00 -1.33 -1.98 103.07 105.95 1wdm h GLY 349 Ca 0.40 0.41 0.09 0.00 0.00 0.00 0.00 47.33 48.23 1wdm h GLY 349 CO -0.27 -0.30 0.41 -2.22 0.00 0.00 0.00 176.54 174.15 1wdm h ILE 350 N -0.76 0.92 -0.68 2.60 2.04 -1.45 -0.84 117.51 119.34 1wdm h ILE 350 Ca -0.03 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1wdm h ILE 350 Cb 0.68 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1wdm h ILE 350 CO -0.05 0.08 0.44 -0.33 0.00 0.00 0.00 178.15 178.29 1wdm h GLU 351 N 0.46 0.85 0.07 2.37 4.39 -0.52 -0.81 114.58 121.40 1wdm h GLU 351 Ca 0.28 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1wdm h GLU 351 Cb 0.49 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1wdm h GLU 351 CO -0.08 0.56 -0.08 1.96 -1.16 0.00 0.00 179.01 180.21 1wdm h GLN 352 N 0.88 -0.17 0.22 2.33 7.50 -0.59 -0.88 115.11 124.40 1wdm h GLN 352 Ca 0.26 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.43 1wdm h GLN 352 Cb -0.04 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1wdm h GLN 352 CO -0.08 -0.11 -0.42 0.78 -1.50 0.00 0.00 178.83 177.49 1wdm h GLY 353 N -0.17 -1.17 0.42 3.46 0.00 -1.17 -1.01 103.07 103.41 1wdm h GLY 353 Ca 0.01 0.59 0.20 0.00 0.00 0.00 0.00 47.33 48.13 1wdm h GLY 353 CO -0.03 -0.32 0.59 1.41 0.00 0.00 0.00 176.54 178.19 1wdm h LEU 354 N -0.69 0.00 0.67 3.11 3.38 -1.09 -1.82 115.31 118.87 1wdm h LEU 354 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1wdm h LEU 354 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1wdm h LEU 354 CO -0.16 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.04 1wdm h ALA 355 N 1.47 -0.90 -0.89 1.53 0.00 0.19 -2.83 119.26 117.83 1wdm h ALA 355 Ca 0.33 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wdm h ALA 355 Cb 1.52 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1wdm h ALA 355 CO -0.00 -0.88 0.59 0.93 0.00 0.00 0.00 179.25 179.88 1wdm h GLU 356 N -1.15 1.17 -0.99 0.00 4.39 -0.92 -1.12 114.58 115.96 1wdm h GLU 356 Ca -0.09 -0.07 0.23 0.00 0.34 0.00 0.00 59.36 59.77 1wdm h GLU 356 Cb 0.72 -0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 29.02 1wdm h GLU 356 CO 0.15 0.77 0.64 0.00 -1.16 0.00 0.00 179.01 179.41 1wdm h ALA 357 N 1.33 2.13 -0.16 3.43 0.00 -1.38 -2.38 119.26 122.22 1wdm h ALA 357 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wdm h ALA 357 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wdm h ALA 357 CO -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.69 1wdm n ALA 358 N -2.47 -0.23 -0.18 0.00 0.00 -0.46 -2.75 120.51 114.41 1wdm n ALA 358 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.69 1wdm n ALA 358 Cb 0.76 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.26 1wdm n ALA 358 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wdm n LYS 359 N -1.92 -0.07 0.23 0.00 5.02 -0.98 0.79 118.16 121.24 1wdm n LYS 359 Ca 0.00 0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 56.98 1wdm n LYS 359 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1wdm n LYS 359 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wdm h LEU 360 N 0.00 -0.50 -0.86 -0.35 3.38 -1.56 0.14 115.31 115.56 1wdm h LEU 360 Ca 0.22 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.36 1wdm h LEU 360 Cb 0.34 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1wdm h LEU 360 CO -0.51 -0.32 0.43 -0.07 0.09 0.00 0.00 178.44 178.06 1wdm h LEU 361 N -0.68 0.50 0.80 1.67 3.38 -0.77 -1.03 115.31 119.18 1wdm h LEU 361 Ca -0.06 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1wdm h LEU 361 Cb 0.46 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wdm h LEU 361 CO 0.10 0.19 -0.44 0.58 0.09 0.00 0.00 178.44 178.96 1wdm h VAL 362 N 0.59 0.00 -1.07 1.22 2.07 0.41 -2.47 116.25 117.01 1wdm h VAL 362 Ca 0.48 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.29 1wdm h VAL 362 Cb 0.72 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1wdm h VAL 362 CO -0.39 0.00 0.68 1.23 0.02 0.00 0.00 177.57 179.11 1wdm h GLY 363 N -1.14 1.34 0.27 2.17 0.00 -0.01 0.80 103.07 106.50 1wdm h GLY 363 Ca -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1wdm h GLY 363 CO 0.14 -0.19 -0.13 3.21 0.00 0.00 0.00 176.54 179.57 1wdm h ARG 364 N 0.38 -0.35 -0.86 4.80 3.08 -0.94 -2.14 114.38 118.35 1wdm h ARG 364 Ca 0.63 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.83 1wdm h ARG 364 Cb 1.60 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.67 1wdm h ARG 364 CO -0.34 -0.23 0.56 0.28 -1.07 0.00 0.00 179.97 179.16 1wdm h VAL 365 N -0.42 0.88 0.00 2.04 2.07 -0.97 0.83 116.25 120.68 1wdm h VAL 365 Ca -0.04 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1wdm h VAL 365 Cb 0.28 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1wdm h VAL 365 CO 0.06 0.13 0.08 0.44 0.02 0.00 0.00 177.57 178.30 1wdm h ASP 366 N 0.72 0.00 -0.19 0.57 5.19 0.72 0.25 116.42 123.68 1wdm h ASP 366 Ca 0.42 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.81 1wdm h ASP 366 Cb 0.60 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1wdm h ASP 366 CO -0.18 0.00 -0.02 0.29 -3.12 0.00 0.00 179.24 176.21 1wdm n LYS 367 N -2.60 2.28 -0.20 3.56 4.01 0.28 -4.95 118.16 120.54 1wdm n LYS 367 Ca -0.02 -2.82 0.00 0.00 -0.51 0.00 0.00 58.31 54.96 1wdm n LYS 367 Cb 0.13 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.91 1wdm n LYS 367 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wdm n GLY 368 N -0.87 0.26 0.24 0.72 0.00 0.88 -4.74 105.19 101.69 1wdm n GLY 368 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1wdm n GLY 368 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wdm h ARG 369 N 0.28 0.00 -5.53 1.61 -0.00 -1.66 -3.44 114.38 105.63 1wdm h ARG 369 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 59.98 59.54 1wdm h ARG 369 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 29.97 29.78 1wdm h ARG 369 CO 0.00 0.17 -0.77 1.41 -0.00 0.00 0.00 179.97 180.78 1wdm s MET 370 N -3.90 1.03 -0.02 0.08 -2.45 -1.21 -4.87 119.30 107.96 1wdm s MET 370 Ca -0.01 -1.21 -0.15 0.00 -1.25 0.00 0.00 55.69 53.07 1wdm s MET 370 Cb 0.11 -0.98 -0.05 0.00 1.25 0.00 0.00 34.83 35.16 1wdm s MET 370 CO 0.60 0.20 0.40 0.99 1.05 0.00 0.00 175.02 178.27 1wdm s THR 371 N -1.90 5.07 0.32 10.11 2.01 -1.26 -4.01 115.64 125.98 1wdm s THR 371 Ca 0.08 0.82 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1wdm s THR 371 Cb -0.06 -3.71 0.31 0.00 0.01 0.00 0.00 72.50 69.05 1wdm s THR 371 CO 0.03 0.54 1.83 -0.65 -0.69 0.00 0.00 174.62 175.69 1wdm h PRO 372 N 5.05 0.77 -0.22 4.92 0.11 -1.98 0.35 132.00 140.99 1wdm h PRO 372 Ca -0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1wdm h PRO 372 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1wdm h PRO 372 CO 0.64 0.51 0.10 0.00 -0.21 0.00 0.00 178.00 179.04 1wdm h ALA 373 N 1.59 0.28 -0.62 -0.75 0.00 -2.00 -1.60 119.26 116.16 1wdm h ALA 373 Ca 0.50 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.37 1wdm h ALA 373 Cb 0.72 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1wdm h ALA 373 CO -0.26 -0.15 0.35 1.57 0.00 0.00 0.00 179.25 180.75 1wdm h LYS 374 N 0.22 0.64 -0.18 0.00 2.10 -1.49 0.88 116.57 118.74 1wdm h LYS 374 Ca 0.07 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.73 1wdm h LYS 374 Cb 0.13 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1wdm h LYS 374 CO -0.01 0.42 0.13 1.98 -2.00 0.00 0.00 179.45 179.97 1wdm h MET 375 N 0.66 0.03 -0.04 0.07 -1.53 -0.55 -0.93 114.93 112.64 1wdm h MET 375 Ca 0.27 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.52 1wdm h MET 375 Cb 0.14 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.18 1wdm h MET 375 CO -0.16 0.02 -0.01 0.00 0.14 0.00 0.00 176.91 176.90 1wdm h ALA 376 N 1.91 0.06 -0.99 0.39 0.00 0.12 -1.80 119.26 118.94 1wdm h ALA 376 Ca 0.08 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1wdm h ALA 376 Cb 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1wdm h ALA 376 CO -0.00 -0.25 0.63 0.93 0.00 0.00 0.00 179.25 180.56 1wdm h GLU 377 N -0.26 0.96 0.58 0.00 5.08 -0.45 -0.42 114.58 120.07 1wdm h GLU 377 Ca 0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1wdm h GLU 377 Cb 0.38 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1wdm h GLU 377 CO 0.00 0.64 -0.28 0.28 -1.00 0.00 0.00 179.01 178.65 1wdm h VAL 378 N 0.99 0.00 -0.74 3.13 2.07 -1.17 -2.21 116.25 118.31 1wdm h VAL 378 Ca 0.48 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.91 1wdm h VAL 378 Cb 0.47 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 1wdm h VAL 378 CO -0.25 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.59 1wdm h LEU 379 N -1.00 0.35 -1.88 2.57 3.38 -1.16 0.21 115.31 117.78 1wdm h LEU 379 Ca -0.08 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1wdm h LEU 379 Cb 0.60 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1wdm h LEU 379 CO 0.13 0.16 -0.07 0.78 0.09 0.00 0.00 178.44 179.53 1wdm h ASN 380 N 0.50 0.00 -0.41 -0.43 2.35 -1.13 -2.12 115.58 114.34 1wdm h ASN 380 Ca 0.39 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.99 1wdm h ASN 380 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1wdm h ASN 380 CO -0.35 0.07 -0.33 1.23 -1.65 0.00 0.00 177.43 176.40 1wdm h GLY 381 N 1.22 1.03 -4.93 2.83 0.00 0.07 -3.41 103.07 99.89 1wdm h GLY 381 Ca -0.00 -1.02 -0.56 0.00 0.00 0.00 0.00 47.33 45.76 1wdm h GLY 381 CO 0.01 0.92 0.78 -0.42 0.00 0.00 0.00 176.54 177.82 1wdm s ILE 382 N -4.48 4.29 -0.28 2.60 1.01 -0.80 -3.16 121.20 120.38 1wdm s ILE 382 Ca -0.11 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.14 1wdm s ILE 382 Cb 0.11 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.64 1wdm s ILE 382 CO 0.88 -0.06 0.01 -0.13 0.00 0.00 0.00 174.94 175.64 1wdm s ARG 383 N 2.72 1.34 1.00 2.79 0.52 -0.93 -4.95 118.95 121.44 1wdm s ARG 383 Ca 0.55 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 1wdm s ARG 383 Cb -0.23 -2.59 0.19 0.00 0.52 0.00 0.00 34.95 32.84 1wdm s ARG 383 CO 0.19 -0.79 1.10 -2.14 0.02 0.00 0.00 175.30 173.68 1wdm s PRO 384 N 1.33 0.36 0.00 3.54 0.02 -1.26 -1.37 135.00 137.62 1wdm s PRO 384 Ca 0.02 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1wdm s PRO 384 Cb -0.18 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1wdm s PRO 384 CO -0.11 -2.98 0.00 -2.37 -0.33 0.00 0.00 177.00 171.20 1wdm n THR 385 N -4.45 0.00 -0.39 0.99 5.66 -1.08 -4.74 114.28 110.28 1wdm n THR 385 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1wdm n THR 385 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1wdm n THR 385 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1wdm n LEU 386 N 0.00 0.45 0.00 1.09 4.77 -1.26 -2.37 117.00 119.68 1wdm n LEU 386 Ca 0.00 -0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 55.38 1wdm n LEU 386 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1wdm n LEU 386 CO 0.00 0.11 -0.08 -1.54 -1.33 0.00 0.00 177.39 174.56 1wdm n SER 387 N -0.09 2.13 -0.56 -1.43 3.41 -1.26 -4.79 113.62 111.03 1wdm n SER 387 Ca 0.00 -1.76 0.06 0.00 -0.26 0.00 0.00 58.87 56.91 1wdm n SER 387 Cb 0.10 0.18 0.20 0.00 -0.26 0.00 0.00 64.21 64.43 1wdm n SER 387 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wdm n TYR 388 N -0.40 0.03 0.04 7.33 4.02 -1.26 -4.78 117.16 122.13 1wdm n TYR 388 Ca -0.06 -1.46 -0.05 0.00 -0.01 0.00 0.00 57.90 56.33 1wdm n TYR 388 Cb 0.22 -0.25 0.16 0.00 -0.02 0.00 0.00 39.34 39.45 1wdm n TYR 388 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1wdm h GLY 389 N 0.91 0.43 -1.28 2.72 0.00 -1.97 -3.17 103.07 100.71 1wdm h GLY 389 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1wdm h GLY 389 CO 0.01 0.39 0.00 1.22 0.00 0.00 0.00 176.54 178.15 1wdm n ASP 390 N -4.02 2.33 0.00 0.19 8.00 -1.26 -4.18 116.55 117.62 1wdm n ASP 390 Ca -0.02 -1.78 0.08 0.00 0.71 0.00 0.00 54.79 53.79 1wdm n ASP 390 Cb 0.50 -0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.08 1wdm n ASP 390 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wdm n PHE 391 N 0.83 0.00 0.21 1.24 3.01 -1.20 -3.91 117.46 117.63 1wdm n PHE 391 Ca 0.16 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.80 1wdm n PHE 391 Cb 0.49 0.00 0.83 0.00 -0.01 0.00 0.00 39.48 40.79 1wdm n PHE 391 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1wdm h GLY 392 N 3.26 0.00 -1.13 1.37 0.00 -1.73 -2.90 103.07 101.94 1wdm h GLY 392 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1wdm h GLY 392 CO 0.00 0.00 -0.47 1.16 0.00 0.00 0.00 176.54 177.23 1wdm n ASN 393 N -3.60 1.14 -4.71 0.19 2.04 -1.25 -4.57 115.26 104.49 1wdm n ASN 393 Ca 0.02 -2.61 -0.42 0.00 -0.44 0.00 0.00 54.58 51.13 1wdm n ASN 393 Cb 0.39 -0.34 -0.03 0.00 -2.53 0.00 0.00 39.78 37.27 1wdm n ASN 393 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1wdm s VAL 394 N -1.33 4.14 -0.02 3.53 1.01 -1.10 -4.67 120.40 121.96 1wdm s VAL 394 Ca 0.22 1.53 -0.16 0.00 0.00 0.00 0.00 61.98 63.58 1wdm s VAL 394 Cb 0.22 -3.98 -0.33 0.00 0.00 0.00 0.00 36.38 32.29 1wdm s VAL 394 CO -0.04 0.11 0.85 0.44 0.00 0.00 0.00 175.10 176.46 1wdm h ASP 395 N 6.88 0.69 -3.66 3.32 3.32 -0.96 -3.42 116.42 122.59 1wdm h ASP 395 Ca -0.41 -0.93 -0.31 0.00 0.02 0.00 0.00 57.03 55.41 1wdm h ASP 395 Cb 1.21 -0.23 -0.31 0.00 0.22 0.00 0.00 39.33 40.22 1wdm h ASP 395 CO 0.81 1.68 -0.74 -0.22 -1.72 0.00 0.00 179.24 179.05 1wdm s LEU 396 N -7.56 1.59 -0.22 1.55 0.20 -1.24 -1.40 118.68 111.61 1wdm s LEU 396 Ca -0.13 -0.04 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 1wdm s LEU 396 Cb 0.04 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.64 1wdm s LEU 396 CO 0.89 -0.03 -0.11 -0.69 -0.29 0.00 0.00 176.35 176.12 1wdm s VAL 397 N 0.47 2.64 -0.44 1.68 1.01 0.69 -1.68 120.40 124.78 1wdm s VAL 397 Ca -0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 1wdm s VAL 397 Cb -0.07 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.10 1wdm s VAL 397 CO -0.01 0.37 0.38 -0.69 0.00 0.00 0.00 175.10 175.15 1wdm s VAL 398 N 1.34 5.19 -0.29 2.92 1.01 0.14 0.95 120.40 131.65 1wdm s VAL 398 Ca 0.03 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 1wdm s VAL 398 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1wdm s VAL 398 CO -0.07 -0.45 1.00 -0.70 0.00 0.00 0.00 175.10 174.88 1wdm s GLU 399 N 1.84 4.10 -0.33 2.72 -6.30 -0.29 -1.40 118.70 119.04 1wdm s GLU 399 Ca 0.07 1.05 0.08 0.00 -2.50 0.00 0.00 54.97 53.66 1wdm s GLU 399 Cb -0.20 -3.71 0.45 0.00 0.00 0.00 0.00 34.13 30.68 1wdm s GLU 399 CO 0.10 -0.77 1.16 0.00 0.02 0.00 0.00 175.26 175.77 1wdm n ALA 400 N 6.56 4.86 -1.49 6.30 0.00 -0.32 -1.77 120.51 134.65 1wdm n ALA 400 Ca 0.10 -3.87 -0.16 0.00 0.00 0.00 0.00 53.44 49.51 1wdm n ALA 400 Cb 0.47 -0.43 0.17 0.00 0.00 0.00 0.00 19.45 19.67 1wdm n ALA 400 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wdm n VAL 401 N -0.62 0.00 -1.94 0.00 0.31 -1.19 -4.63 118.33 110.26 1wdm n VAL 401 Ca 0.40 -0.63 -0.38 0.00 -0.01 0.00 0.00 64.34 63.71 1wdm n VAL 401 Cb 0.87 -1.47 0.02 0.00 -0.91 0.00 0.00 33.84 32.35 1wdm n VAL 401 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wdm s VAL 402 N -3.03 2.42 -1.11 2.52 1.01 -1.26 -4.85 120.40 116.09 1wdm s VAL 402 Ca 0.58 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.63 1wdm s VAL 402 Cb -0.03 -3.16 -0.15 0.00 0.00 0.00 0.00 36.38 33.04 1wdm s VAL 402 CO 0.42 -0.00 1.99 -0.62 0.00 0.00 0.00 175.10 176.88 1wdm n GLU 403 N -0.81 1.05 -3.43 2.72 -0.58 -1.26 -4.61 120.64 113.73 1wdm n GLU 403 Ca 0.09 -2.16 -0.15 0.00 -0.42 0.00 0.00 57.16 54.53 1wdm n GLU 403 Cb 0.46 -3.75 -0.11 0.00 -0.57 0.00 0.00 31.44 27.47 1wdm n GLU 403 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1wdm s ASN 404 N 7.13 1.00 0.26 1.62 3.84 -1.26 -5.04 114.94 122.49 1wdm s ASN 404 Ca 0.73 -0.12 -0.04 0.00 0.21 0.00 0.00 52.86 53.63 1wdm s ASN 404 Cb -0.01 0.66 0.53 0.00 -0.55 0.00 0.00 41.25 41.88 1wdm s ASN 404 CO 0.16 -0.32 1.63 -0.65 -2.79 0.00 0.00 177.10 175.13 1wdm h PRO 405 N 8.26 0.12 0.40 0.43 0.11 -1.99 0.55 132.00 139.88 1wdm h PRO 405 Ca -0.17 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1wdm h PRO 405 Cb 1.15 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wdm h PRO 405 CO 0.28 0.08 -0.21 0.87 -0.21 0.00 0.00 178.00 178.81 1wdm h LYS 406 N 0.13 -0.55 0.56 1.05 6.56 -1.97 -1.79 116.57 120.56 1wdm h LYS 406 Ca 0.46 0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 60.07 1wdm h LYS 406 Cb 0.86 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.64 1wdm h LYS 406 CO -0.68 -0.37 -0.37 0.28 -2.06 0.00 0.00 179.45 176.25 1wdm h VAL 407 N -0.57 0.25 -0.78 0.50 2.07 -1.50 -2.75 116.25 113.48 1wdm h VAL 407 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1wdm h VAL 407 Cb 0.45 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 1wdm h VAL 407 CO 0.07 0.00 0.39 0.11 0.02 0.00 0.00 177.57 178.16 1wdm h LYS 408 N -0.88 0.60 -0.05 1.57 1.57 -1.00 0.11 116.57 118.50 1wdm h LYS 408 Ca -0.07 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wdm h LYS 408 Cb 0.73 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1wdm h LYS 408 CO 0.05 0.40 0.05 1.96 -0.57 0.00 0.00 179.45 181.34 1wdm h GLN 409 N 0.62 0.00 0.08 3.15 4.20 -1.16 0.40 115.11 122.40 1wdm h GLN 409 Ca 0.40 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.87 1wdm h GLN 409 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1wdm h GLN 409 CO -0.31 0.00 -1.27 0.00 -0.67 0.00 0.00 178.83 176.58 1wdm h ALA 410 N 1.95 0.19 0.89 3.87 0.00 -0.56 -3.12 119.26 122.47 1wdm h ALA 410 Ca 0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 54.91 53.82 1wdm h ALA 410 Cb 0.12 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wdm h ALA 410 CO -0.00 0.74 -0.48 0.28 0.00 0.00 0.00 179.25 179.78 1wdm h VAL 411 N -0.50 0.02 -0.89 0.00 2.07 -0.63 0.61 116.25 116.94 1wdm h VAL 411 Ca -0.29 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.40 1wdm h VAL 411 Cb 1.60 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 1wdm h VAL 411 CO -0.00 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.98 1wdm h LEU 412 N -1.27 0.54 -1.12 2.57 3.38 -1.12 0.21 115.31 118.50 1wdm h LEU 412 Ca -0.12 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1wdm h LEU 412 Cb 0.99 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wdm h LEU 412 CO 0.16 0.19 -0.19 0.00 0.09 0.00 0.00 178.44 178.69 1wdm h ALA 413 N 1.60 1.26 0.08 1.53 0.00 -1.42 -2.52 119.26 119.80 1wdm h ALA 413 Ca 0.50 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wdm h ALA 413 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wdm h ALA 413 CO -0.40 0.49 -0.04 1.05 0.00 0.00 0.00 179.25 180.35 1wdm h GLU 414 N 0.36 -0.11 -0.72 0.00 9.09 0.17 -3.29 114.58 120.07 1wdm h GLU 414 Ca 0.06 0.01 0.12 0.00 0.05 0.00 0.00 59.36 59.60 1wdm h GLU 414 Cb 0.54 0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 27.62 1wdm h GLU 414 CO 0.04 0.43 0.48 0.28 0.05 0.00 0.00 179.01 180.28 1wdm h VAL 415 N -0.79 0.87 0.00 -1.06 2.07 -0.90 -0.41 116.25 116.03 1wdm h VAL 415 Ca -0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1wdm h VAL 415 Cb 0.59 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1wdm h VAL 415 CO 0.02 0.09 0.06 -0.08 0.02 0.00 0.00 177.57 177.68 1wdm h GLU 416 N 0.51 0.00 -0.61 1.57 4.81 -1.52 0.11 114.58 119.46 1wdm h GLU 416 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1wdm h GLU 416 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1wdm h GLU 416 CO -0.11 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.26 1wdm n ASN 417 N -2.44 5.47 -0.43 1.04 3.02 -0.16 -4.20 115.26 117.57 1wdm n ASN 417 Ca -0.02 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 1wdm n ASN 417 Cb 0.10 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1wdm n ASN 417 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1wdm n HIS 418 N 0.78 0.00 -4.20 3.10 8.25 0.38 -5.10 115.22 118.42 1wdm n HIS 418 Ca 0.27 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1wdm n HIS 418 Cb 1.11 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 32.09 1wdm n HIS 418 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wdm s VAL 419 N 0.00 0.03 0.67 1.59 -7.23 -1.22 -4.11 120.40 110.13 1wdm s VAL 419 Ca 0.00 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 1wdm s VAL 419 Cb 0.00 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1wdm s VAL 419 CO 0.00 -0.07 1.22 -0.13 -0.31 0.00 0.00 175.10 175.81 1wdm s ARG 420 N -4.14 2.50 0.00 4.82 0.52 -1.26 -4.87 118.95 116.52 1wdm s ARG 420 Ca 0.37 1.83 0.23 0.00 -0.52 0.00 0.00 55.73 57.64 1wdm s ARG 420 Cb 0.07 -1.87 1.32 0.00 0.52 0.00 0.00 34.95 34.99 1wdm s ARG 420 CO 0.10 -1.57 1.76 -0.85 0.02 0.00 0.00 175.30 174.76 1wdm n GLU 421 N -2.19 0.60 -0.21 3.54 0.28 -1.26 -1.85 120.64 119.55 1wdm n GLU 421 Ca 0.14 0.02 0.09 0.00 -0.16 0.00 0.00 57.16 57.25 1wdm n GLU 421 Cb 0.50 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.04 1wdm n GLU 421 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1wdm n ASP 422 N -1.09 2.93 -4.72 -1.84 5.75 -1.26 -4.99 116.55 111.32 1wdm n ASP 422 Ca 0.15 -2.96 -0.38 0.00 -0.01 0.00 0.00 54.79 51.60 1wdm n ASP 422 Cb 0.11 -0.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 1wdm n ASP 422 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wdm s ALA 423 N -2.68 3.49 0.16 2.12 0.00 -0.77 -5.04 121.76 119.04 1wdm s ALA 423 Ca 0.34 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 1wdm s ALA 423 Cb 0.28 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.73 1wdm s ALA 423 CO 0.05 0.02 0.96 0.42 0.00 0.00 0.00 175.76 177.21 1wdm s ILE 424 N 0.60 4.34 -0.18 0.00 1.09 -0.49 -4.92 121.20 121.64 1wdm s ILE 424 Ca 0.24 2.07 -0.01 0.00 -1.10 0.00 0.00 60.65 61.86 1wdm s ILE 424 Cb -0.15 -4.32 -0.00 0.00 -1.06 0.00 0.00 42.46 36.93 1wdm s ILE 424 CO 0.09 0.38 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.44 1wdm s LEU 425 N -0.42 2.63 0.29 2.97 1.43 -1.01 -0.23 118.68 124.35 1wdm s LEU 425 Ca 0.45 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1wdm s LEU 425 Cb -0.24 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1wdm s LEU 425 CO 0.31 0.06 0.11 0.00 0.23 0.00 0.00 176.35 177.05 1wdm s ALA 426 N 1.00 3.41 -0.13 4.21 0.00 0.27 -1.77 121.76 128.75 1wdm s ALA 426 Ca -0.01 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 1wdm s ALA 426 Cb -0.15 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.09 1wdm s ALA 426 CO -0.02 0.18 0.02 0.45 0.00 0.00 0.00 175.76 176.40 1wdm s SER 427 N -3.78 2.21 0.00 0.00 0.15 -1.10 -1.14 113.70 110.04 1wdm s SER 427 Ca 0.34 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1wdm s SER 427 Cb -0.06 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1wdm s SER 427 CO 0.22 -0.25 0.61 -3.20 1.20 0.00 0.00 173.24 171.83 1wdm n ASN 428 N 5.11 0.47 -4.49 5.45 5.15 -0.73 -2.34 115.26 123.88 1wdm n ASN 428 Ca -0.08 -1.70 -0.35 0.00 -0.60 0.00 0.00 54.58 51.85 1wdm n ASN 428 Cb 0.49 -0.24 0.10 0.00 -0.53 0.00 0.00 39.78 39.60 1wdm n ASN 428 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1wdm n THR 429 N -0.18 1.20 0.00 -0.44 5.66 -1.26 -4.65 114.28 114.61 1wdm n THR 429 Ca 0.00 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1wdm n THR 429 Cb 0.12 -0.78 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1wdm n THR 429 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wdm n SER 430 N -1.17 3.08 0.00 1.09 7.64 -1.26 -4.75 113.62 118.26 1wdm n SER 430 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wdm n SER 430 Cb 0.51 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1wdm n SER 430 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wdm n THR 431 N -1.13 0.00 -4.05 0.44 -2.24 -1.26 -4.59 114.28 101.45 1wdm n THR 431 Ca 0.00 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1wdm n THR 431 Cb 0.12 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 1wdm n THR 431 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wdm s ILE 432 N -0.56 4.98 0.03 2.28 1.01 -1.26 -4.95 121.20 122.73 1wdm s ILE 432 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1wdm s ILE 432 Cb 0.00 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 1wdm s ILE 432 CO 0.00 0.57 1.54 -0.55 0.00 0.00 0.00 174.94 176.51 1wdm s SER 433 N -0.62 6.71 0.10 3.58 0.15 -1.26 -4.91 113.70 117.44 1wdm s SER 433 Ca 0.12 2.31 -0.20 0.00 0.70 0.00 0.00 55.95 58.88 1wdm s SER 433 Cb -0.12 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.55 1wdm s SER 433 CO 0.02 -0.82 1.65 0.40 1.20 0.00 0.00 173.24 175.70 1wdm h ILE 434 N 4.88 1.15 -0.25 6.45 5.03 -1.97 -1.01 117.51 131.79 1wdm h ILE 434 Ca -0.40 -0.45 0.07 0.00 -0.12 0.00 0.00 64.86 63.96 1wdm h ILE 434 Cb 1.19 1.06 -0.01 0.00 -3.03 0.00 0.00 36.82 36.03 1wdm h ILE 434 CO 0.92 0.15 0.28 0.28 -0.68 0.00 0.00 178.15 179.10 1wdm h SER 435 N 0.19 0.00 0.12 1.72 0.02 -1.94 0.13 113.55 113.80 1wdm h SER 435 Ca 0.07 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 1wdm h SER 435 Cb 0.15 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1wdm h SER 435 CO -0.01 0.00 -0.90 0.25 -1.14 0.00 0.00 176.83 175.03 1wdm h LEU 436 N 0.00 0.41 -1.56 5.07 6.46 -1.70 -3.30 115.31 120.69 1wdm h LEU 436 Ca 0.12 -0.93 -0.05 0.00 -0.12 0.00 0.00 57.88 56.91 1wdm h LEU 436 Cb 0.69 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1wdm h LEU 436 CO -0.00 1.42 -0.23 -0.07 -0.62 0.00 0.00 178.44 178.93 1wdm h LEU 437 N -0.41 0.00 -1.68 2.25 3.38 0.08 -2.83 115.31 116.10 1wdm h LEU 437 Ca -0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1wdm h LEU 437 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1wdm h LEU 437 CO 0.11 0.23 -0.07 0.00 0.09 0.00 0.00 178.44 178.80 1wdm h ALA 438 N 1.77 1.06 0.00 1.53 0.00 -0.89 -2.77 119.26 119.97 1wdm h ALA 438 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wdm h ALA 438 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wdm h ALA 438 CO 0.03 0.09 0.00 1.63 0.00 0.00 0.00 179.25 181.00 1wdm n LYS 439 N -3.27 0.07 0.16 0.00 5.02 -1.07 -2.71 118.16 116.36 1wdm n LYS 439 Ca -0.00 0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.53 1wdm n LYS 439 Cb 0.29 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1wdm n LYS 439 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wdm h ALA 440 N 2.71 0.76 -1.88 7.82 0.00 -1.66 -3.47 119.26 123.54 1wdm h ALA 440 Ca 0.00 -0.11 -0.45 0.00 0.00 0.00 0.00 54.91 54.35 1wdm h ALA 440 Cb 0.47 0.01 0.15 0.00 0.00 0.00 0.00 17.79 18.42 1wdm h ALA 440 CO 0.00 0.14 0.37 -0.51 0.00 0.00 0.00 179.25 179.24 1wdm s LEU 441 N -5.90 2.77 -0.13 0.00 1.43 -1.10 -4.79 118.68 110.95 1wdm s LEU 441 Ca 0.03 0.14 0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1wdm s LEU 441 Cb 0.07 -2.23 -0.18 0.00 0.03 0.00 0.00 46.19 43.89 1wdm s LEU 441 CO 0.73 -2.58 0.08 2.29 0.23 0.00 0.00 176.35 177.09 1wdm n LYS 442 N -3.60 1.61 -3.18 1.70 -0.00 -1.26 -4.70 118.16 108.72 1wdm n LYS 442 Ca 0.15 -0.02 -0.26 0.00 -0.00 0.00 0.00 58.31 58.19 1wdm n LYS 442 Cb 0.60 -1.36 -0.06 0.00 -0.00 0.00 0.00 35.03 34.21 1wdm n LYS 442 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wdm n ARG 443 N -2.47 2.41 0.33 -1.58 1.74 -1.26 -4.92 116.66 110.92 1wdm n ARG 443 Ca -0.21 -4.43 0.19 0.00 -0.77 0.00 0.00 57.85 52.63 1wdm n ARG 443 Cb 0.90 -2.07 1.00 0.00 -1.02 0.00 0.00 32.46 31.27 1wdm n ARG 443 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1wdm h PRO 444 N 3.56 0.00 -0.31 5.56 0.11 -1.84 -1.99 132.00 137.09 1wdm h PRO 444 Ca 0.15 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.35 1wdm h PRO 444 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1wdm h PRO 444 CO 0.75 0.00 0.22 0.93 -0.21 0.00 0.00 178.00 179.69 1wdm h GLU 445 N 0.00 0.00 -0.02 1.05 3.07 -1.92 -0.28 114.58 116.49 1wdm h GLU 445 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wdm h GLU 445 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1wdm h GLU 445 CO 0.00 0.00 -0.26 0.09 -1.40 0.00 0.00 179.01 177.44 1wdm n ASN 446 N -4.41 1.76 -4.66 1.42 3.02 -0.75 -1.87 115.26 109.77 1wdm n ASN 446 Ca 0.04 -1.38 -0.39 0.00 -0.03 0.00 0.00 54.58 52.83 1wdm n ASN 446 Cb 0.39 0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 39.70 1wdm n ASN 446 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wdm s PHE 447 N -2.34 3.36 0.37 3.10 5.36 -0.12 -2.41 117.98 125.31 1wdm s PHE 447 Ca 0.25 0.68 0.06 0.00 -0.96 0.00 0.00 56.93 56.97 1wdm s PHE 447 Cb 0.19 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1wdm s PHE 447 CO 0.48 -0.08 0.23 0.14 -1.46 0.00 0.00 175.22 174.53 1wdm s VAL 448 N 1.55 0.20 -0.07 3.12 -7.23 -0.73 -4.32 120.40 112.93 1wdm s VAL 448 Ca 0.21 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1wdm s VAL 448 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1wdm s VAL 448 CO 0.09 0.00 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.93 1wdm s GLY 449 N -3.48 1.59 -0.43 2.32 0.00 0.13 -2.71 107.32 104.74 1wdm s GLY 449 Ca 0.33 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1wdm s GLY 449 CO 0.23 -0.65 0.23 -0.29 0.00 0.00 0.00 173.10 172.62 1wdm s MET 450 N -0.60 1.20 -0.35 2.90 0.00 -0.99 -0.72 119.30 120.75 1wdm s MET 450 Ca 0.09 -1.91 -0.22 0.00 0.00 0.00 0.00 55.69 53.64 1wdm s MET 450 Cb -0.11 -2.22 0.00 0.00 0.00 0.00 0.00 34.83 32.50 1wdm s MET 450 CO 0.01 -1.16 0.73 -1.58 0.00 0.00 0.00 175.02 173.03 1wdm s HIS 451 N 0.46 3.14 0.19 4.11 2.46 0.21 -3.74 115.29 122.13 1wdm s HIS 451 Ca 0.17 0.54 0.05 0.00 0.47 0.00 0.00 55.06 56.29 1wdm s HIS 451 Cb -0.24 -3.27 -0.04 0.00 -0.13 0.00 0.00 32.58 28.90 1wdm s HIS 451 CO 0.00 -0.66 0.20 -0.06 -2.47 0.00 0.00 174.74 171.75 1wdm s PHE 452 N 2.94 3.22 -0.06 3.88 0.40 -1.26 -1.50 117.98 125.60 1wdm s PHE 452 Ca 0.29 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 1wdm s PHE 452 Cb -0.14 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 1wdm s PHE 452 CO 0.15 0.51 -0.06 -0.06 0.70 0.00 0.00 175.22 176.47 1wdm s PHE 453 N -1.88 2.96 -0.03 0.36 0.40 -1.26 -5.01 117.98 113.52 1wdm s PHE 453 Ca 0.32 0.03 -0.30 0.00 -0.60 0.00 0.00 56.93 56.39 1wdm s PHE 453 Cb -0.09 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1wdm s PHE 453 CO 0.25 0.36 1.15 1.21 0.70 0.00 0.00 175.22 178.89 1wdm s ASN 454 N -0.93 7.12 0.25 1.36 3.84 -1.26 -2.12 114.94 123.19 1wdm s ASN 454 Ca 0.13 1.81 -0.27 0.00 0.21 0.00 0.00 52.86 54.74 1wdm s ASN 454 Cb -0.11 -2.56 -0.09 0.00 -0.55 0.00 0.00 41.25 37.94 1wdm s ASN 454 CO 0.03 -0.50 0.89 -2.84 -2.79 0.00 0.00 177.10 171.89 1wdm s PRO 455 N 1.79 4.69 0.60 0.43 0.02 -1.26 -4.90 135.00 136.37 1wdm s PRO 455 Ca 0.55 1.34 0.36 0.00 0.02 0.00 0.00 61.00 63.27 1wdm s PRO 455 Cb -0.25 -3.13 1.95 0.00 0.02 0.00 0.00 34.50 33.10 1wdm s PRO 455 CO 0.24 0.46 2.09 0.28 -0.33 0.00 0.00 177.00 179.74 1wdm h VAL 456 N 3.02 0.00 -0.61 3.83 2.07 -1.77 -1.18 116.25 121.61 1wdm h VAL 456 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1wdm h VAL 456 Cb 1.20 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1wdm h VAL 456 CO 0.67 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.26 1wdm n HIS 457 N -2.86 1.29 0.00 1.57 1.44 -1.26 -4.44 115.22 110.96 1wdm n HIS 457 Ca -0.02 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 1wdm n HIS 457 Cb 0.17 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1wdm n HIS 457 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1wdm n MET 458 N 1.04 1.94 -2.87 -1.40 2.00 -0.47 -5.04 117.12 112.31 1wdm n MET 458 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.53 1wdm n MET 458 Cb 0.81 -0.81 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1wdm n MET 458 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1wdm s MET 459 N -1.63 4.27 0.48 0.03 -1.94 -1.04 -4.96 119.30 114.52 1wdm s MET 459 Ca 0.00 1.03 0.27 0.00 -1.71 0.00 0.00 55.69 55.28 1wdm s MET 459 Cb 0.00 -3.59 1.00 0.00 2.01 0.00 0.00 34.83 34.24 1wdm s MET 459 CO 0.00 -0.39 1.85 -1.35 -0.01 0.00 0.00 175.02 175.12 1wdm h PRO 460 N 7.41 0.00 -6.50 2.03 0.11 -1.94 -3.46 132.00 129.66 1wdm h PRO 460 Ca -0.27 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.31 1wdm h PRO 460 Cb 1.12 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1wdm h PRO 460 CO 0.85 0.12 -0.08 -1.17 -0.21 0.00 0.00 178.00 177.51 1wdm s LEU 461 N -6.45 4.12 -0.34 2.35 2.96 -1.26 0.14 118.68 120.20 1wdm s LEU 461 Ca 0.02 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1wdm s LEU 461 Cb 0.09 -3.73 0.15 0.00 0.50 0.00 0.00 46.19 43.19 1wdm s LEU 461 CO 0.61 -0.12 0.33 -0.69 -1.32 0.00 0.00 176.35 175.15 1wdm s VAL 462 N -1.90 -0.31 -0.14 1.68 1.01 -1.21 -4.32 120.40 115.21 1wdm s VAL 462 Ca 0.48 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1wdm s VAL 462 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1wdm s VAL 462 CO 0.22 -0.58 1.68 -1.61 0.00 0.00 0.00 175.10 174.81 1wdm s GLU 463 N 1.75 3.93 -0.85 2.72 2.02 -0.56 -2.73 118.70 124.96 1wdm s GLU 463 Ca 0.14 1.94 -0.17 0.00 0.02 0.00 0.00 54.97 56.90 1wdm s GLU 463 Cb -0.15 -4.04 0.16 0.00 0.10 0.00 0.00 34.13 30.20 1wdm s GLU 463 CO -0.14 -1.15 0.94 0.08 0.02 0.00 0.00 175.26 175.02 1wdm s VAL 464 N 4.88 5.07 -0.27 2.63 1.01 -0.95 -0.62 120.40 132.16 1wdm s VAL 464 Ca 0.75 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 1wdm s VAL 464 Cb -0.30 -4.63 -0.01 0.00 0.00 0.00 0.00 36.38 31.45 1wdm s VAL 464 CO 0.30 -1.29 1.39 -0.63 0.00 0.00 0.00 175.10 174.88 1wdm s ILE 465 N 1.74 4.02 -0.56 2.22 1.09 0.10 -1.27 121.20 128.55 1wdm s ILE 465 Ca 0.25 1.15 -0.22 0.00 -1.10 0.00 0.00 60.65 60.73 1wdm s ILE 465 Cb -0.09 -4.02 0.06 0.00 -1.06 0.00 0.00 42.46 37.35 1wdm s ILE 465 CO -0.07 -0.41 0.81 -0.60 -0.10 0.00 0.00 174.94 174.57 1wdm s ARG 466 N 4.29 3.19 1.01 2.79 3.52 -0.95 0.22 118.95 133.01 1wdm s ARG 466 Ca 0.61 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 1wdm s ARG 466 Cb -0.19 -4.12 0.19 0.00 -1.56 0.00 0.00 34.95 29.27 1wdm s ARG 466 CO 0.25 -1.46 1.08 0.20 -0.81 0.00 0.00 175.30 174.56 1wdm s GLY 467 N 3.01 1.60 0.58 8.12 0.00 -1.26 -2.64 107.32 116.72 1wdm s GLY 467 Ca 0.22 0.02 0.28 0.00 0.00 0.00 0.00 44.72 45.23 1wdm s GLY 467 CO 0.14 0.59 2.16 1.05 0.00 0.00 0.00 173.10 177.03 1wdm h GLU 468 N -2.03 0.00 -0.02 2.90 4.11 -1.93 -1.56 114.58 116.04 1wdm h GLU 468 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1wdm h GLU 468 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1wdm h GLU 468 CO 0.51 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.22 1wdm n LYS 469 N -3.92 1.21 -1.92 1.06 4.76 -1.26 -4.99 118.16 113.10 1wdm n LYS 469 Ca -0.00 -1.45 -0.42 0.00 -2.87 0.00 0.00 58.31 53.56 1wdm n LYS 469 Cb 0.22 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 1wdm n LYS 469 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wdm s SER 470 N -1.32 6.61 0.55 4.39 0.01 -0.59 -3.88 113.70 119.47 1wdm s SER 470 Ca 0.19 2.42 -0.16 0.00 1.31 0.00 0.00 55.95 59.71 1wdm s SER 470 Cb 0.13 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 1wdm s SER 470 CO 0.20 -0.92 1.01 -0.94 0.41 0.00 0.00 173.24 173.00 1wdm s SER 471 N 3.02 6.30 0.46 2.44 1.04 -0.78 -4.82 113.70 121.36 1wdm s SER 471 Ca 0.76 1.65 0.18 0.00 0.48 0.00 0.00 55.95 59.01 1wdm s SER 471 Cb -0.38 -2.52 1.15 0.00 0.10 0.00 0.00 66.02 64.38 1wdm s SER 471 CO 0.33 -0.81 1.96 0.44 0.98 0.00 0.00 173.24 176.14 1wdm h ASP 472 N 0.67 0.26 -0.05 7.02 3.45 -1.94 -0.81 116.42 125.03 1wdm h ASP 472 Ca -0.47 0.01 -0.15 0.00 0.43 0.00 0.00 57.03 56.86 1wdm h ASP 472 Cb 1.20 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 39.93 1wdm h ASP 472 CO 0.60 0.14 -0.55 0.25 -1.57 0.00 0.00 179.24 178.12 1wdm h LEU 473 N 0.28 0.57 -2.07 1.55 6.46 -1.92 -0.07 115.31 120.11 1wdm h LEU 473 Ca 0.30 -0.70 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 1wdm h LEU 473 Cb 0.80 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1wdm h LEU 473 CO -0.07 1.18 0.24 0.00 -0.62 0.00 0.00 178.44 179.17 1wdm h ALA 474 N 0.40 2.15 0.08 1.25 0.00 -1.43 -1.12 119.26 120.59 1wdm h ALA 474 Ca -0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1wdm h ALA 474 Cb 1.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1wdm h ALA 474 CO 0.11 -0.39 -1.51 0.28 0.00 0.00 0.00 179.25 177.74 1wdm h VAL 475 N 0.00 0.89 -0.79 0.00 2.07 -1.28 -3.28 116.25 113.85 1wdm h VAL 475 Ca 0.14 -2.31 0.10 0.00 0.82 0.00 0.00 66.70 65.45 1wdm h VAL 475 Cb 0.61 2.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 1wdm h VAL 475 CO -0.00 0.63 0.43 0.00 0.02 0.00 0.00 177.57 178.64 1wdm h ALA 476 N -0.16 1.12 -0.50 1.67 0.00 -0.45 -0.47 119.26 120.48 1wdm h ALA 476 Ca -0.35 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1wdm h ALA 476 Cb 1.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wdm h ALA 476 CO -0.02 0.02 0.24 1.15 0.00 0.00 0.00 179.25 180.64 1wdm h THR 477 N 0.70 1.19 0.54 0.00 2.02 -1.39 -1.91 112.91 114.06 1wdm h THR 477 Ca 0.39 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1wdm h THR 477 Cb 0.41 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1wdm h THR 477 CO -0.27 0.22 -0.35 0.74 0.37 0.00 0.00 175.52 176.23 1wdm h THR 478 N 0.66 0.29 -0.20 3.16 2.02 -1.29 -1.36 112.91 116.18 1wdm h THR 478 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.41 1wdm h THR 478 Cb 0.12 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 1wdm h THR 478 CO -0.02 0.00 -0.25 0.58 0.37 0.00 0.00 175.52 176.19 1wdm h VAL 479 N -0.85 0.38 -0.62 3.16 2.07 -1.07 0.94 116.25 120.27 1wdm h VAL 479 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1wdm h VAL 479 Cb 0.70 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 1wdm h VAL 479 CO 0.05 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.71 1wdm h ALA 480 N 0.70 0.67 -0.29 1.67 0.00 -1.24 0.39 119.26 121.16 1wdm h ALA 480 Ca 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1wdm h ALA 480 Cb 0.47 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wdm h ALA 480 CO -0.36 -0.36 -0.02 -0.92 0.00 0.00 0.00 179.25 177.58 1wdm h TYR 481 N 0.18 0.47 -0.15 0.00 3.20 -0.10 -0.06 116.97 120.51 1wdm h TYR 481 Ca 0.33 -0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.93 1wdm h TYR 481 Cb 0.52 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.66 1wdm h TYR 481 CO -0.31 0.49 -0.76 0.00 -1.64 0.00 0.00 178.16 175.93 1wdm h ALA 482 N 1.55 0.36 -0.05 1.82 0.00 0.16 -2.74 119.26 120.36 1wdm h ALA 482 Ca 0.09 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1wdm h ALA 482 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wdm h ALA 482 CO 0.01 0.70 -0.41 -0.22 0.00 0.00 0.00 179.25 179.33 1wdm h LYS 483 N 0.51 0.11 0.00 0.00 1.63 0.06 -2.40 116.57 116.48 1wdm h LYS 483 Ca -0.05 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1wdm h LYS 483 Cb 1.38 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.01 1wdm h LYS 483 CO 0.15 0.51 -0.03 -0.22 -3.45 0.00 0.00 179.45 176.42 1wdm h LYS 484 N 0.09 0.00 -0.92 1.90 3.64 -0.93 -2.88 116.57 117.46 1wdm h LYS 484 Ca 0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1wdm h LYS 484 Cb 0.77 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 1wdm h LYS 484 CO 0.06 0.03 0.12 -1.33 -2.27 0.00 0.00 179.45 176.06 1wdm n MET 485 N -3.11 1.94 -1.88 1.90 2.81 -0.94 -4.83 117.12 113.01 1wdm n MET 485 Ca 0.02 -1.13 -0.19 0.00 -1.81 0.00 0.00 57.70 54.59 1wdm n MET 485 Cb 0.44 -1.61 -0.05 0.00 -0.71 0.00 0.00 33.22 31.29 1wdm n MET 485 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wdm n GLY 486 N 0.06 0.94 3.88 3.03 0.00 -1.09 -4.95 105.19 107.06 1wdm n GLY 486 Ca 0.16 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1wdm n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdm s LYS 487 N -4.16 2.46 -0.45 1.61 -0.14 -0.96 -4.97 119.74 113.13 1wdm s LYS 487 Ca 0.00 -1.64 0.04 0.00 -1.36 0.00 0.00 55.97 53.01 1wdm s LYS 487 Cb 0.00 -2.32 0.12 0.00 -1.68 0.00 0.00 37.83 33.95 1wdm s LYS 487 CO 0.00 -0.28 0.18 -0.80 -0.76 0.00 0.00 175.35 173.69 1wdm s ASN 488 N -4.16 4.42 0.51 2.83 0.01 0.37 -4.17 114.94 114.74 1wdm s ASN 488 Ca 0.46 -2.65 -0.18 0.00 -0.71 0.00 0.00 52.86 49.78 1wdm s ASN 488 Cb -0.03 -1.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.99 1wdm s ASN 488 CO 0.27 -0.29 1.01 -2.16 -1.51 0.00 0.00 177.10 174.42 1wdm s PRO 489 N 0.22 3.82 -0.13 -0.60 0.04 -1.26 -3.29 135.00 133.79 1wdm s PRO 489 Ca 0.15 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1wdm s PRO 489 Cb -0.23 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.26 1wdm s PRO 489 CO -0.04 -0.39 0.19 0.42 0.04 0.00 0.00 177.00 177.23 1wdm s ILE 490 N -2.37 -0.30 0.14 0.56 1.01 -1.11 -4.91 121.20 114.22 1wdm s ILE 490 Ca 0.62 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.14 1wdm s ILE 490 Cb -0.12 -0.45 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 1wdm s ILE 490 CO 0.27 0.02 1.53 -0.69 0.00 0.00 0.00 174.94 176.07 1wdm s VAL 491 N 2.32 2.82 -0.09 2.92 1.01 -1.26 -2.23 120.40 125.88 1wdm s VAL 491 Ca 0.04 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1wdm s VAL 491 Cb -0.13 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.92 1wdm s VAL 491 CO -0.08 0.04 0.05 -0.69 0.00 0.00 0.00 175.10 174.41 1wdm s VAL 492 N 1.29 0.11 0.38 2.92 1.01 -0.39 -4.66 120.40 121.05 1wdm s VAL 492 Ca 0.69 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.52 1wdm s VAL 492 Cb -0.42 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.41 1wdm s VAL 492 CO 0.31 0.08 1.33 0.59 0.00 0.00 0.00 175.10 177.40 1wdm n ASN 493 N 5.22 2.92 -4.63 3.32 3.02 -0.73 -2.23 115.26 122.15 1wdm n ASN 493 Ca -0.06 1.18 -0.47 0.00 -0.03 0.00 0.00 54.58 55.20 1wdm n ASN 493 Cb 0.50 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.11 1wdm n ASN 493 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wdm n ASP 494 N 0.49 2.25 -3.64 6.41 2.03 -1.08 -4.79 116.55 118.21 1wdm n ASP 494 Ca 0.05 1.13 -0.03 0.00 0.52 0.00 0.00 54.79 56.46 1wdm n ASP 494 Cb 0.38 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 39.38 1wdm n ASP 494 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wdm n PRO 496 N 1.12 0.54 -0.39 0.00 -0.02 -1.26 0.13 135.00 135.13 1wdm n PRO 496 Ca -0.06 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1wdm n PRO 496 Cb 0.58 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1wdm n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wdm n GLY 497 N 5.63 1.47 7.00 -1.23 0.00 -1.26 -4.62 105.19 112.18 1wdm n GLY 497 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1wdm n GLY 497 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wdm n PHE 498 N -2.00 0.00 0.00 1.61 0.99 0.35 -0.71 117.46 117.70 1wdm n PHE 498 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1wdm n PHE 498 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1wdm n PHE 498 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1wdm n LEU 499 N 0.00 0.24 0.10 4.37 -0.00 -1.26 -4.53 117.00 115.92 1wdm n LEU 499 Ca 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 56.01 55.94 1wdm n LEU 499 Cb 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 43.42 43.17 1wdm n LEU 499 CO 0.00 -0.52 0.51 0.58 -0.00 0.00 0.00 177.39 177.96 1wdm h VAL 500 N -0.05 0.00 -0.78 1.96 2.07 -1.83 -1.21 116.25 116.41 1wdm h VAL 500 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1wdm h VAL 500 Cb 0.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 1wdm h VAL 500 CO 0.00 0.00 0.51 0.78 0.02 0.00 0.00 177.57 178.88 1wdm h ASN 501 N -0.52 0.87 -0.42 0.57 4.21 -1.88 -0.67 115.58 117.74 1wdm h ASN 501 Ca -0.01 -0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.54 1wdm h ASN 501 Cb 0.50 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 1wdm h ASN 501 CO -0.15 0.62 0.28 -0.09 -1.29 0.00 0.00 177.43 176.80 1wdm h ARG 502 N 1.03 0.31 0.00 0.81 2.43 -0.74 -1.23 114.38 116.98 1wdm h ARG 502 Ca 0.29 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1wdm h ARG 502 Cb -0.08 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1wdm h ARG 502 CO -0.08 0.21 -0.78 0.28 -1.51 0.00 0.00 179.97 178.09 1wdm h VAL 503 N 0.32 0.07 0.03 0.20 2.07 -0.55 -3.37 116.25 115.03 1wdm h VAL 503 Ca 0.18 -1.12 -0.23 0.00 0.82 0.00 0.00 66.70 66.35 1wdm h VAL 503 Cb 0.31 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1wdm h VAL 503 CO -0.04 0.04 -1.13 0.25 0.02 0.00 0.00 177.57 176.71 1wdm h LEU 504 N 0.00 0.09 -0.45 2.57 6.46 0.04 -3.32 115.31 120.71 1wdm h LEU 504 Ca -0.01 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.55 1wdm h LEU 504 Cb 1.06 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1wdm h LEU 504 CO 0.01 1.08 -0.08 -0.26 -0.62 0.00 0.00 178.44 178.57 1wdm h PHE 505 N 0.02 0.94 -0.67 1.25 -1.00 -1.57 -1.23 116.94 114.68 1wdm h PHE 505 Ca -0.07 -0.19 0.01 0.00 2.81 0.00 0.00 57.97 60.53 1wdm h PHE 505 Cb 1.84 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 41.13 1wdm h PHE 505 CO 0.01 0.93 0.44 -1.35 -1.61 0.00 0.00 178.31 176.74 1wdm h PRO 506 N 0.68 0.85 -0.73 1.51 0.11 -1.75 0.70 132.00 133.38 1wdm h PRO 506 Ca 0.12 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.20 1wdm h PRO 506 Cb 0.61 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1wdm h PRO 506 CO 0.04 0.56 0.48 -0.92 -0.21 0.00 0.00 178.00 177.95 1wdm h TYR 507 N 0.88 0.88 0.00 0.65 3.20 -1.54 0.37 116.97 121.41 1wdm h TYR 507 Ca 0.25 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 1wdm h TYR 507 Cb -0.05 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 1wdm h TYR 507 CO -0.00 0.53 -0.83 0.74 -1.64 0.00 0.00 178.16 176.96 1wdm h PHE 508 N 0.93 0.13 -0.29 -3.82 0.05 0.71 -2.86 116.94 111.78 1wdm h PHE 508 Ca 0.28 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.98 1wdm h PHE 508 Cb -0.02 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 37.91 1wdm h PHE 508 CO -0.00 0.87 0.11 0.78 -0.18 0.00 0.00 178.31 179.89 1wdm h GLY 509 N 2.15 0.48 1.78 -1.45 0.00 0.18 0.32 103.07 106.53 1wdm h GLY 509 Ca -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.06 1wdm h GLY 509 CO 0.12 0.26 0.08 -1.33 0.00 0.00 0.00 176.54 175.66 1wdm h GLY 510 N 0.32 0.00 1.44 4.60 0.00 -0.96 0.19 103.07 108.65 1wdm h GLY 510 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.18 1wdm h GLY 510 CO -0.01 0.00 -1.02 -2.75 0.00 0.00 0.00 176.54 172.77 1wdm h PHE 511 N 0.00 0.75 -0.20 5.60 3.57 -0.89 -2.85 116.94 122.91 1wdm h PHE 511 Ca 0.05 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 1wdm h PHE 511 Cb 0.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1wdm h PHE 511 CO 0.00 1.25 0.05 0.00 -2.23 0.00 0.00 178.31 177.38 1wdm h ALA 512 N 0.61 0.26 -0.59 2.41 0.00 0.24 -2.38 119.26 119.82 1wdm h ALA 512 Ca -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1wdm h ALA 512 Cb 1.66 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1wdm h ALA 512 CO 0.18 -0.09 0.25 0.87 0.00 0.00 0.00 179.25 180.46 1wdm h LYS 513 N 0.14 0.84 0.07 0.00 1.57 -1.07 0.67 116.57 118.79 1wdm h LYS 513 Ca 0.06 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1wdm h LYS 513 Cb 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wdm h LYS 513 CO 0.00 0.67 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.45 1wdm h LEU 514 N 0.83 -0.09 -0.99 2.94 3.38 -1.35 -1.20 115.31 118.84 1wdm h LEU 514 Ca 0.20 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1wdm h LEU 514 Cb 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1wdm h LEU 514 CO -0.02 0.06 0.14 0.58 0.09 0.00 0.00 178.44 179.29 1wdm h VAL 515 N -0.23 1.23 0.00 1.22 2.07 -1.20 -0.55 116.25 118.79 1wdm h VAL 515 Ca -0.01 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1wdm h VAL 515 Cb 0.20 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1wdm h VAL 515 CO 0.02 0.31 0.00 -1.20 0.02 0.00 0.00 177.57 176.72 1wdm n SER 516 N -4.27 0.00 -0.81 0.57 7.64 0.21 -2.60 113.62 114.36 1wdm n SER 516 Ca 0.04 -0.81 0.03 0.00 1.01 0.00 0.00 58.87 59.14 1wdm n SER 516 Cb 0.23 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.63 1wdm n SER 516 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wdm n ALA 517 N -0.98 3.48 -2.77 -0.43 0.00 -0.25 -1.83 120.51 117.74 1wdm n ALA 517 Ca 0.18 -2.84 -0.16 0.00 0.00 0.00 0.00 53.44 50.62 1wdm n ALA 517 Cb 0.08 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 18.94 1wdm n ALA 517 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdm n GLY 518 N -1.01 -0.17 3.49 0.00 0.00 -1.07 -2.77 105.19 103.65 1wdm n GLY 518 Ca 0.25 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1wdm n GLY 518 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdm s VAL 519 N -2.97 4.28 0.05 1.61 1.01 -1.00 -4.84 120.40 118.53 1wdm s VAL 519 Ca 0.20 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 1wdm s VAL 519 Cb -0.09 -2.96 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 1wdm s VAL 519 CO 0.25 0.40 1.92 -0.67 0.00 0.00 0.00 175.10 176.99 1wdm n ASP 520 N 4.38 4.00 0.21 3.32 4.64 -1.26 -4.36 116.55 127.48 1wdm n ASP 520 Ca -0.17 0.94 0.07 0.00 -1.38 0.00 0.00 54.79 54.25 1wdm n ASP 520 Cb 0.52 -1.51 0.47 0.00 -1.04 0.00 0.00 41.12 39.56 1wdm n ASP 520 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 1wdm h PHE 521 N 9.71 0.00 0.00 -0.67 -5.15 -1.96 -1.47 116.94 117.40 1wdm h PHE 521 Ca -0.49 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.24 1wdm h PHE 521 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 1wdm h PHE 521 CO 0.89 0.29 -0.19 0.28 -2.00 0.00 0.00 178.31 177.58 1wdm h VAL 522 N 0.00 0.85 0.06 0.88 2.07 -1.99 -1.69 116.25 116.43 1wdm h VAL 522 Ca -0.00 -0.72 -0.28 0.00 0.82 0.00 0.00 66.70 66.51 1wdm h VAL 522 Cb 0.64 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1wdm h VAL 522 CO 0.04 0.18 -1.48 -0.09 0.02 0.00 0.00 177.57 176.24 1wdm h ARG 523 N 0.00 0.12 0.00 1.57 2.43 -1.71 -3.18 114.38 113.61 1wdm h ARG 523 Ca -0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1wdm h ARG 523 Cb 0.41 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1wdm h ARG 523 CO 0.02 0.91 0.00 -0.89 -1.51 0.00 0.00 179.97 178.50 1wdm n ILE 524 N -3.31 0.00 0.31 1.20 5.41 -0.64 -2.81 119.36 119.53 1wdm n ILE 524 Ca -0.13 1.48 0.19 0.00 1.00 0.00 0.00 62.75 65.28 1wdm n ILE 524 Cb 1.02 -2.45 1.01 0.00 -0.71 0.00 0.00 39.64 38.51 1wdm n ILE 524 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1wdm h ASP 525 N 0.00 0.00 0.36 4.38 3.04 -1.63 0.10 116.42 122.67 1wdm h ASP 525 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1wdm h ASP 525 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1wdm h ASP 525 CO 0.00 0.02 -0.02 0.11 -2.04 0.00 0.00 179.24 177.31 1wdm h LYS 526 N 0.00 0.00 0.09 4.15 1.79 -1.51 0.25 116.57 121.34 1wdm h LYS 526 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1wdm h LYS 526 Cb 0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1wdm h LYS 526 CO 0.00 0.02 -1.97 0.28 -1.08 0.00 0.00 179.45 176.70 1wdm n VAL 527 N -3.20 1.70 0.11 0.50 0.31 0.31 -3.28 118.33 114.79 1wdm n VAL 527 Ca -0.02 -0.54 0.01 0.00 -0.01 0.00 0.00 64.34 63.79 1wdm n VAL 527 Cb 0.16 -1.75 0.35 0.00 -0.91 0.00 0.00 33.84 31.69 1wdm n VAL 527 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1wdm h MET 528 N -0.14 0.23 -0.23 5.55 2.86 -0.91 0.31 114.93 122.60 1wdm h MET 528 Ca -0.44 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 56.93 1wdm h MET 528 Cb 1.89 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.53 1wdm h MET 528 CO 0.00 0.44 -0.63 0.93 1.06 0.00 0.00 176.91 178.70 1wdm h GLU 529 N 0.22 0.81 0.00 1.72 5.08 -0.69 -1.91 114.58 119.81 1wdm h GLU 529 Ca 0.04 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1wdm h GLU 529 Cb 0.49 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wdm h GLU 529 CO 0.03 1.19 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.77 1wdm h LYS 530 N 0.60 0.00 0.32 2.33 3.64 -1.32 -2.95 116.57 119.19 1wdm h LYS 530 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1wdm h LYS 530 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1wdm h LYS 530 CO 0.13 0.25 -0.15 0.35 -2.27 0.00 0.00 179.45 177.76 1wdm h PHE 531 N 0.00 -0.40 0.00 1.91 3.57 0.06 -3.48 116.94 118.61 1wdm h PHE 531 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wdm h PHE 531 Cb 0.47 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1wdm h PHE 531 CO 0.00 -0.10 0.00 0.41 -2.23 0.00 0.00 178.31 176.39 1wdm n GLY 532 N -0.56 0.00 3.77 2.40 0.00 -0.76 -5.04 105.19 105.00 1wdm n GLY 532 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1wdm n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wdm s TRP 533 N 0.00 3.08 0.09 1.61 0.52 -0.98 -4.36 118.94 118.90 1wdm s TRP 533 Ca 0.00 1.54 -0.23 0.00 0.02 0.00 0.00 56.10 57.44 1wdm s TRP 533 Cb 0.00 -3.42 -0.14 0.00 -1.15 0.00 0.00 33.47 28.75 1wdm s TRP 533 CO 0.00 -1.36 1.71 -1.35 0.02 0.00 0.00 176.95 175.98 1wdm h PRO 534 N 2.75 0.03 -5.76 4.98 0.11 -1.89 -3.40 132.00 128.81 1wdm h PRO 534 Ca -0.49 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.04 1wdm h PRO 534 Cb 1.23 -0.01 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 1wdm h PRO 534 CO 0.63 0.05 -0.85 -1.64 -0.21 0.00 0.00 178.00 175.98 1wdm s MET 535 N -6.06 1.66 0.87 1.05 -1.94 -1.26 -4.98 119.30 108.63 1wdm s MET 535 Ca -0.13 -0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 53.06 1wdm s MET 535 Cb 0.06 -1.55 0.11 0.00 2.01 0.00 0.00 34.83 35.46 1wdm s MET 535 CO 0.66 0.38 1.10 0.20 -0.01 0.00 0.00 175.02 177.36 1wdm s GLY 536 N -0.34 1.65 0.23 -0.03 0.00 -1.26 -4.74 107.32 102.83 1wdm s GLY 536 Ca 0.05 0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 1wdm s GLY 536 CO 0.00 0.66 1.71 -2.55 0.00 0.00 0.00 173.10 172.91 1wdm h PRO 537 N -1.54 0.30 0.81 2.90 0.11 -1.93 -0.39 132.00 132.27 1wdm h PRO 537 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1wdm h PRO 537 Cb 1.26 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1wdm h PRO 537 CO 0.50 0.20 -0.39 0.00 -0.21 0.00 0.00 178.00 178.09 1wdm h ALA 538 N 1.53 -1.12 -0.75 -0.75 0.00 -1.91 -2.05 119.26 114.21 1wdm h ALA 538 Ca 0.37 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.25 1wdm h ALA 538 Cb 0.57 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1wdm h ALA 538 CO -0.43 -1.04 0.53 -0.92 0.00 0.00 0.00 179.25 177.39 1wdm h TYR 539 N -1.26 0.09 -0.23 0.00 3.20 -1.89 0.59 116.97 117.48 1wdm h TYR 539 Ca -0.11 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 1wdm h TYR 539 Cb 0.84 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1wdm h TYR 539 CO 0.01 0.03 -0.33 1.25 -1.64 0.00 0.00 178.16 177.48 1wdm h LEU 540 N 0.07 0.68 -2.00 2.82 6.46 -0.94 -2.35 115.31 120.06 1wdm h LEU 540 Ca 0.36 -0.51 0.17 0.00 -0.12 0.00 0.00 57.88 57.78 1wdm h LEU 540 Cb 1.34 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 1wdm h LEU 540 CO -0.03 1.06 0.42 0.24 -0.62 0.00 0.00 178.44 179.51 1wdm h MET 541 N 0.32 0.00 0.22 1.25 2.86 -0.14 0.91 114.93 120.36 1wdm h MET 541 Ca 0.02 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.35 1wdm h MET 541 Cb 0.91 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.61 1wdm h MET 541 CO 0.08 0.00 -1.37 -0.44 1.06 0.00 0.00 176.91 176.24 1wdm h ASP 542 N 0.00 0.81 0.15 1.22 3.32 -1.28 -1.55 116.42 119.09 1wdm h ASP 542 Ca 0.28 -0.91 -0.00 0.00 0.02 0.00 0.00 57.03 56.42 1wdm h ASP 542 Cb 1.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1wdm h ASP 542 CO -0.00 1.66 -0.12 0.58 -1.72 0.00 0.00 179.24 179.64 1wdm h VAL 543 N 0.10 0.74 0.00 -1.35 2.07 -0.38 -1.94 116.25 115.50 1wdm h VAL 543 Ca -0.23 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1wdm h VAL 543 Cb 2.07 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1wdm h VAL 543 CO 0.26 0.00 -0.42 0.58 0.02 0.00 0.00 177.57 178.00 1wdm h VAL 544 N -0.28 1.27 -0.38 2.57 2.07 -1.10 -3.46 116.25 116.95 1wdm h VAL 544 Ca -0.01 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1wdm h VAL 544 Cb 0.25 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1wdm h VAL 544 CO -0.01 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1wdm n GLY 545 N -0.27 -0.23 0.40 2.17 0.00 -0.60 -4.51 105.19 102.14 1wdm n GLY 545 Ca -0.02 -1.02 0.19 0.00 0.00 0.00 0.00 46.02 45.17 1wdm n GLY 545 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wdm h ILE 546 N 0.00 0.65 -0.43 -0.61 5.03 -0.45 0.48 117.51 122.18 1wdm h ILE 546 Ca 0.00 -0.16 0.09 0.00 -0.12 0.00 0.00 64.86 64.67 1wdm h ILE 546 Cb 0.00 0.14 -0.02 0.00 -3.03 0.00 0.00 36.82 33.90 1wdm h ILE 546 CO 0.00 0.09 0.30 -2.24 -0.68 0.00 0.00 178.15 175.61 1wdm h ASP 547 N 0.47 0.15 0.01 1.72 3.04 -1.88 0.24 116.42 120.17 1wdm h ASP 547 Ca 0.52 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 54.18 1wdm h ASP 547 Cb 1.20 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 39.44 1wdm h ASP 547 CO -0.24 0.09 -0.69 0.74 -2.04 0.00 0.00 179.24 177.10 1wdm h THR 548 N 0.16 1.32 -0.56 1.15 2.02 -0.34 -3.24 112.91 113.43 1wdm h THR 548 Ca 0.20 -2.27 0.16 0.00 0.77 0.00 0.00 66.41 65.27 1wdm h THR 548 Cb 0.57 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 1wdm h THR 548 CO -0.03 0.46 0.40 1.23 0.37 0.00 0.00 175.52 177.96 1wdm h GLY 549 N -0.95 0.04 0.82 2.16 0.00 -0.71 0.28 103.07 104.70 1wdm h GLY 549 Ca -0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1wdm h GLY 549 CO -0.10 0.00 -0.18 0.84 0.00 0.00 0.00 176.54 177.10 1wdm h HIS 550 N 0.03 0.56 -0.05 5.60 6.17 -0.65 -2.28 115.15 124.53 1wdm h HIS 550 Ca 0.27 -0.16 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 1wdm h HIS 550 Cb 1.04 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.85 1wdm h HIS 550 CO -0.00 0.82 -0.00 1.25 0.71 0.00 0.00 177.93 180.71 1wdm h HIS 551 N 0.14 0.09 -0.79 5.26 6.17 -0.96 -2.87 115.15 122.19 1wdm h HIS 551 Ca 0.03 -0.02 0.18 0.00 0.71 0.00 0.00 60.37 61.28 1wdm h HIS 551 Cb 0.72 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.57 1wdm h HIS 551 CO 0.08 0.38 0.53 0.78 0.71 0.00 0.00 177.93 180.41 1wdm h GLY 552 N -0.22 0.59 0.71 5.26 0.00 -0.59 -2.33 103.07 106.49 1wdm h GLY 552 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1wdm h GLY 552 CO 0.00 0.02 -0.34 -0.09 0.00 0.00 0.00 176.54 176.14 1wdm h ARG 553 N 0.31 -0.92 -1.12 4.80 2.43 -1.19 -2.62 114.38 116.08 1wdm h ARG 553 Ca 0.39 0.06 0.33 0.00 -0.81 0.00 0.00 59.98 59.96 1wdm h ARG 553 Cb 1.07 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 30.71 1wdm h ARG 553 CO -0.11 -0.61 0.70 -0.44 -1.51 0.00 0.00 179.97 177.99 1wdm h ASP 554 N -1.09 0.41 -0.05 -3.80 5.19 -1.27 -0.12 116.42 115.69 1wdm h ASP 554 Ca -0.10 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1wdm h ASP 554 Cb 0.73 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 1wdm h ASP 554 CO 0.16 -0.05 0.00 0.58 -3.12 0.00 0.00 179.24 176.81 1wdm h VAL 555 N 0.29 1.24 -0.03 -1.35 2.07 -1.34 -2.85 116.25 114.28 1wdm h VAL 555 Ca 0.70 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1wdm h VAL 555 Cb 1.87 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1wdm h VAL 555 CO -0.42 0.20 -0.28 0.24 0.02 0.00 0.00 177.57 177.33 1wdm h MET 556 N -0.20 0.05 0.36 1.57 2.86 -0.70 -2.19 114.93 116.68 1wdm h MET 556 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wdm h MET 556 Cb 0.31 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1wdm h MET 556 CO 0.00 0.32 -0.25 0.00 1.06 0.00 0.00 176.91 178.04 1wdm h ALA 557 N 1.68 -0.60 0.00 6.32 0.00 -1.00 0.14 119.26 125.80 1wdm h ALA 557 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wdm h ALA 557 Cb 0.51 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wdm h ALA 557 CO 0.04 -0.85 -0.02 0.93 0.00 0.00 0.00 179.25 179.35 1wdm h GLU 558 N -0.61 0.00 0.04 0.00 5.08 -1.34 -2.46 114.58 115.29 1wdm h GLU 558 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1wdm h GLU 558 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1wdm h GLU 558 CO 0.02 0.02 -0.35 0.78 -1.00 0.00 0.00 179.01 178.47 1wdm h GLY 559 N 1.06 0.19 -6.26 -3.84 0.00 -0.60 -3.41 103.07 90.21 1wdm h GLY 559 Ca -0.00 -0.41 -0.58 0.00 0.00 0.00 0.00 47.33 46.34 1wdm h GLY 559 CO 0.00 0.36 -0.94 0.69 0.00 0.00 0.00 176.54 176.65 1wdm n PHE 560 N -4.42 0.33 -0.30 5.60 3.01 0.38 -4.98 117.46 117.08 1wdm n PHE 560 Ca -0.11 -3.63 0.04 0.00 1.01 0.00 0.00 57.45 54.76 1wdm n PHE 560 Cb 0.59 -0.19 0.18 0.00 -0.01 0.00 0.00 39.48 40.04 1wdm n PHE 560 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1wdm h PRO 561 N 4.72 0.78 0.00 -1.08 0.11 -1.68 0.28 132.00 135.13 1wdm h PRO 561 Ca 0.16 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1wdm h PRO 561 Cb 0.85 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1wdm h PRO 561 CO 0.50 0.52 0.32 -0.40 -0.21 0.00 0.00 178.00 178.73 1wdm n ASP 562 N -4.73 0.31 0.00 -2.05 5.75 -1.26 -3.74 116.55 110.82 1wdm n ASP 562 Ca 0.14 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.45 1wdm n ASP 562 Cb 0.29 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1wdm n ASP 562 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1wdm n ARG 563 N -2.00 0.41 -0.76 0.11 1.85 -0.98 -4.83 116.66 110.46 1wdm n ARG 563 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.86 1wdm n ARG 563 Cb 0.34 -0.03 0.29 0.00 -1.05 0.00 0.00 32.46 32.01 1wdm n ARG 563 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1wdm n MET 564 N 0.00 3.36 -3.94 2.89 2.81 0.93 -4.64 117.12 118.54 1wdm n MET 564 Ca 0.00 -3.03 -0.30 0.00 -1.81 0.00 0.00 57.70 52.56 1wdm n MET 564 Cb 0.00 -2.04 -0.16 0.00 -0.71 0.00 0.00 33.22 30.32 1wdm n MET 564 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1wdm s LYS 565 N -2.94 1.65 -0.12 0.03 2.20 -1.25 -3.99 119.74 115.32 1wdm s LYS 565 Ca 0.49 -0.90 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1wdm s LYS 565 Cb 0.40 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 1wdm s LYS 565 CO 0.10 -0.55 0.13 0.34 -0.36 0.00 0.00 175.35 175.01 1wdm s ASP 566 N 1.43 6.27 0.28 1.43 -1.08 -1.26 -5.01 116.67 118.73 1wdm s ASP 566 Ca -0.04 0.42 0.24 0.00 -0.52 0.00 0.00 52.55 52.64 1wdm s ASP 566 Cb -0.18 -2.02 0.34 0.00 -1.46 0.00 0.00 42.92 39.60 1wdm s ASP 566 CO -0.07 0.39 1.44 -2.24 0.52 0.00 0.00 175.17 175.21 1wdm h ASP 567 N 5.15 0.00 -2.83 -0.34 2.03 -2.02 -3.46 116.42 114.94 1wdm h ASP 567 Ca -0.53 -0.04 -0.53 0.00 -0.73 0.00 0.00 57.03 55.20 1wdm h ASP 567 Cb 1.22 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.70 1wdm h ASP 567 CO 0.59 0.02 -0.32 -0.13 -1.03 0.00 0.00 179.24 178.37 1wdm s ARG 568 N -3.22 3.52 -0.29 4.15 0.52 -1.26 -5.05 118.95 117.32 1wdm s ARG 568 Ca 0.06 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 1wdm s ARG 568 Cb 0.09 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.75 1wdm s ARG 568 CO 0.70 0.38 1.15 1.03 0.02 0.00 0.00 175.30 178.58 1wdm s ARG 569 N -3.41 4.06 0.87 3.54 0.52 -1.26 -5.03 118.95 118.24 1wdm s ARG 569 Ca 0.39 1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 56.67 1wdm s ARG 569 Cb -0.11 -3.77 0.13 0.00 0.52 0.00 0.00 34.95 31.72 1wdm s ARG 569 CO 0.29 -0.91 1.24 -1.54 0.02 0.00 0.00 175.30 174.40 1wdm s SER 570 N 1.94 3.93 0.60 0.23 1.04 -1.26 -4.77 113.70 115.41 1wdm s SER 570 Ca 0.49 0.58 0.40 0.00 0.48 0.00 0.00 55.95 57.90 1wdm s SER 570 Cb -0.15 -0.89 2.18 0.00 0.10 0.00 0.00 66.02 67.27 1wdm s SER 570 CO 0.16 -2.25 2.23 0.00 0.98 0.00 0.00 173.24 174.36 1wdm h ALA 571 N -1.30 1.01 0.51 5.32 0.00 -1.95 -2.23 119.26 120.62 1wdm h ALA 571 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1wdm h ALA 571 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wdm h ALA 571 CO 0.55 -0.01 -0.24 0.82 0.00 0.00 0.00 179.25 180.37 1wdm h ILE 572 N 0.00 0.00 -0.93 0.00 2.04 -1.97 -2.27 117.51 114.39 1wdm h ILE 572 Ca 0.00 -0.36 0.27 0.00 1.00 0.00 0.00 64.86 65.77 1wdm h ILE 572 Cb 0.01 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.95 1wdm h ILE 572 CO 0.00 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.92 1wdm h ASP 573 N -1.05 0.13 0.60 1.72 3.32 -1.76 0.43 116.42 119.82 1wdm h ASP 573 Ca -0.07 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1wdm h ASP 573 Cb 0.52 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1wdm h ASP 573 CO 0.11 -0.18 -0.49 0.00 -1.72 0.00 0.00 179.24 176.97 1wdm h ALA 574 N 1.83 -1.15 -0.70 3.45 0.00 -1.45 0.27 119.26 121.50 1wdm h ALA 574 Ca 0.62 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1wdm h ALA 574 Cb 1.34 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1wdm h ALA 574 CO -0.67 -1.18 0.29 -0.07 0.00 0.00 0.00 179.25 177.63 1wdm h LEU 575 N -1.06 0.93 0.26 0.00 3.38 -0.37 -0.75 115.31 117.70 1wdm h LEU 575 Ca -0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1wdm h LEU 575 Cb 0.89 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1wdm h LEU 575 CO -0.00 0.82 -0.13 0.22 0.09 0.00 0.00 178.44 179.44 1wdm h TYR 576 N 1.01 -0.33 0.00 1.13 3.20 -0.02 0.15 116.97 122.11 1wdm h TYR 576 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1wdm h TYR 576 Cb 0.17 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1wdm h TYR 576 CO 0.01 -0.06 -0.12 0.93 -1.64 0.00 0.00 178.16 177.29 1wdm h GLU 577 N -0.57 0.00 -0.02 1.82 5.08 -0.41 0.17 114.58 120.65 1wdm h GLU 577 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wdm h GLU 577 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wdm h GLU 577 CO 0.06 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1wdm n ALA 578 N -2.44 2.63 -3.48 3.43 0.00 -0.30 -4.92 120.51 115.44 1wdm n ALA 578 Ca -0.02 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1wdm n ALA 578 Cb 0.20 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1wdm n ALA 578 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wdm n LYS 579 N -0.51 -7.13 -3.17 0.00 5.02 0.05 -4.95 118.16 107.48 1wdm n LYS 579 Ca 0.20 0.79 -0.36 0.00 -2.02 0.00 0.00 58.31 56.93 1wdm n LYS 579 Cb 0.19 -5.70 -0.03 0.00 -0.02 0.00 0.00 35.03 29.47 1wdm n LYS 579 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wdm n ARG 580 N -4.49 3.65 0.14 1.97 1.74 0.45 -4.91 116.66 115.21 1wdm n ARG 580 Ca -0.09 -4.63 0.08 0.00 -0.77 0.00 0.00 57.85 52.44 1wdm n ARG 580 Cb 0.59 -2.39 0.42 0.00 -1.02 0.00 0.00 32.46 30.06 1wdm n ARG 580 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wdm n LEU 581 N 1.01 0.40 0.00 0.55 4.77 -1.07 -4.16 117.00 118.49 1wdm n LEU 581 Ca 0.29 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1wdm n LEU 581 Cb 0.36 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1wdm n LEU 581 CO 0.57 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1wdm n GLY 582 N -1.30 0.04 0.36 -0.72 0.00 0.11 -0.22 105.19 103.46 1wdm n GLY 582 Ca -0.01 -2.23 0.16 0.00 0.00 0.00 0.00 46.02 43.94 1wdm n GLY 582 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1wdm h GLN 583 N 0.00 0.18 0.00 1.61 4.15 -1.64 0.63 115.11 120.05 1wdm h GLN 583 Ca 0.00 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1wdm h GLN 583 Cb 0.00 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1wdm h GLN 583 CO 0.00 0.12 -0.44 1.57 -1.93 0.00 0.00 178.83 178.15 1wdm h LYS 584 N 0.19 0.00 -0.02 1.69 2.10 -1.83 -2.87 116.57 115.83 1wdm h LYS 584 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1wdm h LYS 584 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1wdm h LYS 584 CO -0.04 0.44 -0.29 -1.71 -2.00 0.00 0.00 179.45 175.85 1wdm n ASN 585 N -3.51 2.34 0.00 7.07 5.15 0.58 -4.96 115.26 121.92 1wdm n ASN 585 Ca -0.00 -1.67 0.00 0.00 -0.60 0.00 0.00 54.58 52.31 1wdm n ASN 585 Cb 0.57 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 1wdm n ASN 585 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wdm n GLY 586 N 1.36 2.95 2.90 8.20 0.00 0.19 -4.85 105.19 115.93 1wdm n GLY 586 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1wdm n GLY 586 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdm s LYS 587 N -0.18 0.91 0.00 1.61 1.02 -0.76 0.12 119.74 122.46 1wdm s LYS 587 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1wdm s LYS 587 Cb 0.00 -0.91 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 1wdm s LYS 587 CO 0.00 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1wdm n GLY 588 N 4.09 3.25 0.22 -3.33 0.00 -1.26 0.07 105.19 108.24 1wdm n GLY 588 Ca -0.24 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1wdm n GLY 588 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wdm h PHE 589 N 0.00 0.69 -0.72 1.61 -1.00 -1.87 -3.45 116.94 112.19 1wdm h PHE 589 Ca 0.00 -0.21 -0.59 0.00 2.81 0.00 0.00 57.97 59.98 1wdm h PHE 589 Cb 0.00 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.36 1wdm h PHE 589 CO 0.00 0.92 -0.36 0.71 -1.61 0.00 0.00 178.31 177.97 1wdm s TYR 590 N -4.17 1.84 -0.08 -0.55 1.51 -1.26 -4.80 117.35 109.84 1wdm s TYR 590 Ca -0.07 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1wdm s TYR 590 Cb 0.12 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1wdm s TYR 590 CO 0.83 -0.29 -0.17 0.00 -1.11 0.00 0.00 175.55 174.82 1wdm s ALA 591 N -2.75 2.51 -0.20 3.71 0.00 0.39 -4.42 121.76 121.00 1wdm s ALA 591 Ca 0.32 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1wdm s ALA 591 Cb -0.01 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1wdm s ALA 591 CO 0.19 0.40 -0.16 0.71 0.00 0.00 0.00 175.76 176.90 1wdm s TYR 592 N -0.15 2.89 -0.28 0.00 1.51 0.33 -0.58 117.35 121.07 1wdm s TYR 592 Ca -0.02 -1.68 -0.00 0.00 -1.01 0.00 0.00 57.07 54.36 1wdm s TYR 592 Cb -0.14 -1.95 0.09 0.00 -0.11 0.00 0.00 41.96 39.85 1wdm s TYR 592 CO 0.04 -0.79 0.06 -1.21 -1.11 0.00 0.00 175.55 172.53 1wdm s GLU 593 N 1.28 0.92 0.00 -0.62 2.02 -1.19 -4.72 118.70 116.39 1wdm s GLU 593 Ca 0.03 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1wdm s GLU 593 Cb -0.14 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1wdm s GLU 593 CO -0.10 -0.87 0.00 0.36 0.02 0.00 0.00 175.26 174.67 1wdm n LYS 599 N 4.79 0.00 -3.45 1.61 2.85 -1.26 -4.61 118.16 118.10 1wdm n LYS 599 Ca -0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 1wdm n LYS 599 Cb 0.43 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.74 1wdm n LYS 599 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1wdm s GLN 600 N 0.00 2.78 0.18 -1.58 0.74 -1.26 -5.08 119.66 115.45 1wdm s GLN 600 Ca 0.00 -1.57 -0.00 0.00 0.05 0.00 0.00 55.36 53.83 1wdm s GLN 600 Cb 0.00 -4.05 -0.04 0.00 1.10 0.00 0.00 33.01 30.02 1wdm s GLN 600 CO 0.00 -1.13 0.36 0.21 -0.55 0.00 0.00 175.29 174.18 1wdm s LYS 601 N 1.52 3.51 -0.10 1.67 2.47 -1.26 -5.09 119.74 122.45 1wdm s LYS 601 Ca 0.04 -0.37 -0.18 0.00 -1.56 0.00 0.00 55.97 53.89 1wdm s LYS 601 Cb -0.26 -2.87 -0.04 0.00 -1.46 0.00 0.00 37.83 33.20 1wdm s LYS 601 CO 0.03 0.43 0.48 0.21 0.16 0.00 0.00 175.35 176.66 1wdm s LYS 602 N -3.24 4.31 0.09 4.03 2.20 -1.26 -3.18 119.74 122.68 1wdm s LYS 602 Ca 0.38 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.46 1wdm s LYS 602 Cb -0.11 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1wdm s LYS 602 CO 0.29 0.21 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.94 1wdm s LEU 603 N 0.44 2.43 -0.21 5.43 1.43 0.26 -4.98 118.68 123.48 1wdm s LEU 603 Ca 0.26 -1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 1wdm s LEU 603 Cb -0.15 0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1wdm s LEU 603 CO 0.11 -0.54 0.10 -0.69 0.23 0.00 0.00 176.35 175.56 1wdm s VAL 604 N -3.76 4.97 -0.10 -1.59 1.01 -1.26 -0.46 120.40 119.20 1wdm s VAL 604 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1wdm s VAL 604 Cb 0.06 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1wdm s VAL 604 CO -0.06 0.40 -0.07 1.51 0.00 0.00 0.00 175.10 176.88 1wdm s ASP 605 N 0.78 2.05 0.45 3.32 -4.77 -1.26 -4.94 116.67 112.30 1wdm s ASP 605 Ca 0.05 -0.28 0.22 0.00 -3.30 0.00 0.00 52.55 49.25 1wdm s ASP 605 Cb -0.13 -0.80 1.22 0.00 -1.09 0.00 0.00 42.92 42.12 1wdm s ASP 605 CO 0.02 -0.11 1.64 0.77 0.70 0.00 0.00 175.17 178.20 1wdm h SER 606 N 8.02 0.00 0.08 2.11 4.64 -1.98 -1.38 113.55 125.04 1wdm h SER 606 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1wdm h SER 606 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1wdm h SER 606 CO 0.41 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 1wdm n SER 607 N -2.43 0.41 0.06 4.97 3.41 -1.26 -1.73 113.62 117.06 1wdm n SER 607 Ca -0.01 0.68 -0.23 0.00 -0.26 0.00 0.00 58.87 59.05 1wdm n SER 607 Cb 0.26 -0.74 -0.15 0.00 -0.26 0.00 0.00 64.21 63.33 1wdm n SER 607 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1wdm h VAL 608 N 0.00 0.97 -1.03 -3.33 2.07 -1.61 -3.35 116.25 109.97 1wdm h VAL 608 Ca 0.00 -2.49 0.29 0.00 0.82 0.00 0.00 66.70 65.31 1wdm h VAL 608 Cb 0.04 2.77 -0.13 0.00 -1.52 0.00 0.00 31.29 32.45 1wdm h VAL 608 CO 0.00 0.83 0.62 -0.07 0.02 0.00 0.00 177.57 178.97 1wdm h LEU 609 N 0.02 0.56 0.27 2.57 3.38 -1.53 -0.29 115.31 120.29 1wdm h LEU 609 Ca -0.33 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1wdm h LEU 609 Cb 2.03 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1wdm h LEU 609 CO 0.16 0.01 -0.13 -0.33 0.09 0.00 0.00 178.44 178.24 1wdm h GLU 610 N 0.44 -0.34 -0.70 1.13 5.08 -1.69 -1.93 114.58 116.56 1wdm h GLU 610 Ca 0.67 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 59.16 1wdm h GLU 610 Cb 1.51 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.76 1wdm h GLU 610 CO -0.48 -0.12 0.32 0.28 -1.00 0.00 0.00 179.01 178.02 1wdm h VAL 611 N -0.52 0.80 0.00 3.13 2.07 -1.21 -2.08 116.25 118.44 1wdm h VAL 611 Ca -0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1wdm h VAL 611 Cb 0.38 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1wdm h VAL 611 CO 0.06 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1wdm n LEU 612 N -4.91 0.58 -0.14 2.57 4.77 -0.80 -4.11 117.00 114.97 1wdm n LEU 612 Ca 0.11 0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 56.60 1wdm n LEU 612 Cb 0.30 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1wdm n LEU 612 CO 0.23 -0.15 0.71 0.11 -1.33 0.00 0.00 177.39 176.97 1wdm h LYS 613 N 0.00 -0.11 -0.23 3.23 1.79 -0.60 -0.50 116.57 120.15 1wdm h LYS 613 Ca 0.00 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1wdm h LYS 613 Cb 0.66 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1wdm h LYS 613 CO 0.00 -0.07 0.44 -1.35 -1.08 0.00 0.00 179.45 177.39 1wdm h PRO 614 N -0.11 0.00 0.15 3.15 0.11 -1.75 -1.65 132.00 131.90 1wdm h PRO 614 Ca 0.21 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.98 1wdm h PRO 614 Cb 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1wdm h PRO 614 CO -0.52 0.00 -1.79 0.82 -0.21 0.00 0.00 178.00 176.30 1wdm h ILE 615 N 0.00 0.87 -1.44 4.15 1.08 -1.37 -3.44 117.51 117.36 1wdm h ILE 615 Ca 0.11 -2.51 -0.48 0.00 -0.39 0.00 0.00 64.86 61.59 1wdm h ILE 615 Cb 0.99 2.68 -0.00 0.00 -3.07 0.00 0.00 36.82 37.42 1wdm h ILE 615 CO -0.00 0.85 1.64 0.52 -0.69 0.00 0.00 178.15 180.47 1wdm n VAL 616 N -3.52 -0.05 0.00 1.67 0.31 -0.62 -4.70 118.33 111.42 1wdm n VAL 616 Ca -0.25 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.39 1wdm n VAL 616 Cb 1.06 -2.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1wdm n VAL 616 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1wdm n TYR 617 N 15.05 0.00 -2.51 3.52 0.53 -0.76 -4.92 117.16 128.07 1wdm n TYR 617 Ca 0.40 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.95 1wdm n TYR 617 Cb 0.48 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.75 1wdm n TYR 617 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1wdm s GLU 618 N 0.00 3.95 -0.56 -0.72 8.01 -1.25 -4.94 118.70 123.20 1wdm s GLU 618 Ca 0.00 1.09 0.01 0.00 0.01 0.00 0.00 54.97 56.07 1wdm s GLU 618 Cb 0.00 -2.13 0.49 0.00 -4.31 0.00 0.00 34.13 28.17 1wdm s GLU 618 CO 0.00 -0.27 1.85 0.94 0.01 0.00 0.00 175.26 177.79 1wdm n GLN 619 N -1.25 2.72 -1.69 1.61 -0.06 -1.26 -2.71 117.38 114.74 1wdm n GLN 619 Ca 0.07 -3.38 -0.54 0.00 -2.00 0.00 0.00 57.00 51.15 1wdm n GLN 619 Cb 0.54 -2.24 -0.06 0.00 -4.06 0.00 0.00 30.24 24.41 1wdm n GLN 619 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1wdm n ARG 620 N -0.93 1.57 -1.53 3.69 0.63 -1.12 -4.88 116.66 114.09 1wdm n ARG 620 Ca 0.58 0.57 -0.31 0.00 -0.92 0.00 0.00 57.85 57.77 1wdm n ARG 620 Cb 0.87 -2.34 0.06 0.00 0.45 0.00 0.00 32.46 31.50 1wdm n ARG 620 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wdm s ASP 621 N 3.95 5.25 -0.03 6.15 1.01 -1.26 -4.71 116.67 127.02 1wdm s ASP 621 Ca 0.97 1.64 -0.25 0.00 0.71 0.00 0.00 52.55 55.62 1wdm s ASP 621 Cb -0.91 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 40.58 1wdm s ASP 621 CO 0.60 -1.53 0.55 0.54 0.21 0.00 0.00 175.17 175.54 1wdm s VAL 622 N -3.03 0.02 0.68 -1.27 0.11 -1.26 -5.15 120.40 110.50 1wdm s VAL 622 Ca 0.58 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1wdm s VAL 622 Cb -0.14 -0.88 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1wdm s VAL 622 CO 0.55 -0.09 0.96 0.42 -3.33 0.00 0.00 175.10 173.62 1wdm s THR 623 N -1.29 2.35 0.19 5.04 -4.23 -1.26 -4.97 115.64 111.47 1wdm s THR 623 Ca -0.12 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1wdm s THR 623 Cb -0.02 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1wdm s THR 623 CO 0.08 0.00 1.59 0.44 -0.54 0.00 0.00 174.62 176.19 1wdm h ASP 624 N -0.47 0.85 -0.48 3.99 3.32 -2.01 -2.80 116.42 118.82 1wdm h ASP 624 Ca -0.43 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.26 1wdm h ASP 624 Cb 1.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1wdm h ASP 624 CO 0.55 1.06 0.17 -0.08 -1.72 0.00 0.00 179.24 179.21 1wdm h GLU 625 N 0.70 0.73 -0.48 3.56 4.81 -2.00 -2.78 114.58 119.13 1wdm h GLU 625 Ca 0.09 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1wdm h GLU 625 Cb 0.80 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1wdm h GLU 625 CO 0.07 0.68 0.21 -0.44 -0.73 0.00 0.00 179.01 178.79 1wdm h ASP 626 N 0.64 0.27 -0.47 1.04 3.32 -1.93 -1.87 116.42 117.43 1wdm h ASP 626 Ca 0.16 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1wdm h ASP 626 Cb 0.24 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.69 1wdm h ASP 626 CO -0.01 0.19 -0.20 0.40 -1.72 0.00 0.00 179.24 177.90 1wdm h ILE 627 N 0.41 0.38 -0.79 0.35 2.04 -1.25 0.64 117.51 119.30 1wdm h ILE 627 Ca 0.22 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.18 1wdm h ILE 627 Cb 0.17 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1wdm h ILE 627 CO -0.18 0.00 0.52 0.40 0.00 0.00 0.00 178.15 178.88 1wdm h ILE 628 N -0.10 0.91 0.05 -0.67 2.04 -1.10 -1.69 117.51 116.95 1wdm h ILE 628 Ca 0.22 -0.23 -0.24 0.00 1.00 0.00 0.00 64.86 65.62 1wdm h ILE 628 Cb 0.45 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1wdm h ILE 628 CO -0.54 0.12 -1.04 0.78 0.00 0.00 0.00 178.15 177.47 1wdm h ASN 629 N 0.67 0.40 0.29 1.72 2.35 0.34 0.15 115.58 121.49 1wdm h ASN 629 Ca 0.37 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1wdm h ASN 629 Cb 0.53 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1wdm h ASN 629 CO -0.14 1.21 0.00 -0.50 -1.65 0.00 0.00 177.43 176.34 1wdm h TRP 630 N 0.13 0.00 0.00 1.19 4.06 0.98 -2.58 115.95 119.73 1wdm h TRP 630 Ca -0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.86 1wdm h TRP 630 Cb 1.72 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.88 1wdm h TRP 630 CO 0.05 0.00 -0.67 -1.33 -3.56 0.00 0.00 178.44 172.93 1wdm n MET 631 N -2.78 0.36 -0.33 0.49 2.81 -1.00 -4.27 117.12 112.40 1wdm n MET 631 Ca -0.01 0.14 -0.02 0.00 -1.81 0.00 0.00 57.70 56.00 1wdm n MET 631 Cb 0.13 -1.11 0.13 0.00 -0.71 0.00 0.00 33.22 31.66 1wdm n MET 631 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1wdm h MET 632 N -0.67 1.23 -0.15 0.03 2.86 -0.77 -3.13 114.93 114.32 1wdm h MET 632 Ca 0.00 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1wdm h MET 632 Cb 0.67 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1wdm h MET 632 CO 0.00 0.84 -0.06 0.82 1.06 0.00 0.00 176.91 179.57 1wdm h ILE 633 N 1.26 0.80 -0.37 -1.22 2.04 -1.65 0.23 117.51 118.60 1wdm h ILE 633 Ca 0.33 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.19 1wdm h ILE 633 Cb -0.09 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1wdm h ILE 633 CO -0.07 0.00 0.22 -0.65 0.00 0.00 0.00 178.15 177.66 1wdm h PRO 634 N -0.03 0.50 0.18 2.37 0.11 -1.76 -1.32 132.00 132.04 1wdm h PRO 634 Ca 0.08 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.15 1wdm h PRO 634 Cb 0.15 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1wdm h PRO 634 CO -0.18 0.37 -0.20 1.25 -0.21 0.00 0.00 178.00 179.04 1wdm h LEU 635 N 0.48 -0.54 -0.16 2.35 6.46 -1.44 -0.10 115.31 122.36 1wdm h LEU 635 Ca 0.13 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1wdm h LEU 635 Cb 0.00 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1wdm h LEU 635 CO -0.03 -0.29 0.01 0.00 -0.62 0.00 0.00 178.44 177.52 1wdm h LEU 637 N 0.07 0.50 -0.86 0.00 3.38 -1.03 -0.86 115.31 116.52 1wdm h LEU 637 Ca 0.07 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1wdm h LEU 637 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1wdm h LEU 637 CO -0.11 0.31 -0.18 -0.08 0.09 0.00 0.00 178.44 178.47 1wdm h GLU 638 N 0.64 0.65 -0.61 1.13 4.57 -0.60 -0.97 114.58 119.40 1wdm h GLU 638 Ca 0.32 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1wdm h GLU 638 Cb 0.28 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1wdm h GLU 638 CO -0.23 0.79 0.40 1.15 -1.18 0.00 0.00 179.01 179.95 1wdm h THR 639 N 0.59 1.13 -0.08 0.32 2.02 0.27 -1.02 112.91 116.13 1wdm h THR 639 Ca 0.09 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1wdm h THR 639 Cb 0.63 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1wdm h THR 639 CO 0.04 0.14 -0.11 0.58 0.37 0.00 0.00 175.52 176.55 1wdm h VAL 640 N 0.79 1.38 -0.69 3.16 2.07 -0.51 -3.00 116.25 119.45 1wdm h VAL 640 Ca 0.23 -1.31 0.09 0.00 0.82 0.00 0.00 66.70 66.53 1wdm h VAL 640 Cb -0.04 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1wdm h VAL 640 CO -0.05 0.37 0.33 0.03 0.02 0.00 0.00 177.57 178.27 1wdm h ARG 641 N -0.22 0.55 -0.25 1.57 3.08 -0.40 0.54 114.38 119.25 1wdm h ARG 641 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1wdm h ARG 641 Cb 0.64 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1wdm h ARG 641 CO 0.03 0.36 0.17 0.00 -1.07 0.00 0.00 179.97 179.45 1wdm h LEU 643 N 0.33 0.46 0.22 0.00 6.46 -0.71 0.20 115.31 122.27 1wdm h LEU 643 Ca 0.09 -0.86 -0.01 0.00 -0.12 0.00 0.00 57.88 56.99 1wdm h LEU 643 Cb -0.03 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1wdm h LEU 643 CO -0.02 1.27 -0.14 -0.33 -0.62 0.00 0.00 178.44 178.60 1wdm h GLU 644 N -0.29 -0.33 0.00 1.25 5.08 0.69 -2.00 114.58 118.98 1wdm h GLU 644 Ca -0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wdm h GLU 644 Cb 1.42 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1wdm h GLU 644 CO 0.12 -0.22 0.00 -0.25 -1.00 0.00 0.00 179.01 177.66 1wdm n ASP 645 N -5.26 0.30 0.00 1.42 8.00 0.86 -4.83 116.55 117.05 1wdm n ASP 645 Ca -0.09 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1wdm n ASP 645 Cb 0.17 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1wdm n ASP 645 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wdm n GLY 646 N -0.87 0.71 0.31 0.44 0.00 -0.75 -4.94 105.19 100.08 1wdm n GLY 646 Ca 0.01 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1wdm n GLY 646 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wdm h ILE 647 N 0.00 1.07 -4.08 -0.61 5.03 -0.81 -3.40 117.51 114.70 1wdm h ILE 647 Ca 0.00 -0.17 -0.53 0.00 -0.12 0.00 0.00 64.86 64.04 1wdm h ILE 647 Cb 0.00 0.52 -0.30 0.00 -3.03 0.00 0.00 36.82 34.01 1wdm h ILE 647 CO 0.00 0.09 -0.83 -0.69 -0.68 0.00 0.00 178.15 176.05 1wdm s VAL 648 N -5.46 1.29 0.02 1.67 1.01 -1.10 -1.77 120.40 116.06 1wdm s VAL 648 Ca -0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1wdm s VAL 648 Cb 0.18 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1wdm s VAL 648 CO 0.73 0.37 1.22 -0.08 0.00 0.00 0.00 175.10 177.34 1wdm h GLU 649 N 6.01 -0.56 -6.20 2.72 4.81 -1.83 -3.43 114.58 116.10 1wdm h GLU 649 Ca -0.34 0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.40 1wdm h GLU 649 Cb 1.16 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1wdm h GLU 649 CO 0.48 -0.37 -0.28 0.95 -0.73 0.00 0.00 179.01 179.06 1wdm s THR 650 N -4.23 2.17 0.01 0.32 -4.23 -1.26 -5.03 115.64 103.40 1wdm s THR 650 Ca -0.08 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 58.93 1wdm s THR 650 Cb 0.01 -2.47 -0.23 0.00 1.34 0.00 0.00 72.50 71.14 1wdm s THR 650 CO 0.25 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.45 1wdm h ALA 651 N 0.71 0.08 -0.87 3.99 0.00 -1.94 -2.97 119.26 118.26 1wdm h ALA 651 Ca -0.37 -0.58 0.12 0.00 0.00 0.00 0.00 54.91 54.08 1wdm h ALA 651 Cb 1.29 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1wdm h ALA 651 CO 0.53 0.39 0.49 0.00 0.00 0.00 0.00 179.25 180.66 1wdm h ALA 652 N 0.33 1.29 0.66 0.00 0.00 -1.95 0.42 119.26 120.00 1wdm h ALA 652 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wdm h ALA 652 Cb 1.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1wdm h ALA 652 CO 0.13 0.04 -0.32 0.93 0.00 0.00 0.00 179.25 180.03 1wdm h GLU 653 N 0.76 -0.85 -0.23 0.00 5.08 -1.93 0.09 114.58 117.51 1wdm h GLU 653 Ca 0.45 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.93 1wdm h GLU 653 Cb 0.51 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wdm h GLU 653 CO -0.30 -0.57 0.30 0.00 -1.00 0.00 0.00 179.01 177.44 1wdm h ALA 654 N -1.53 1.81 0.21 3.43 0.00 -1.32 0.29 119.26 122.14 1wdm h ALA 654 Ca -0.09 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 1wdm h ALA 654 Cb 0.68 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wdm h ALA 654 CO 0.15 -0.41 -1.59 0.22 0.00 0.00 0.00 179.25 177.61 1wdm h ASP 655 N 0.00 0.70 0.80 0.00 3.58 -0.72 -3.29 116.42 117.49 1wdm h ASP 655 Ca 0.11 -0.87 -0.11 0.00 0.42 0.00 0.00 57.03 56.57 1wdm h ASP 655 Cb 0.70 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1wdm h ASP 655 CO -0.00 1.71 -0.54 0.24 -2.88 0.00 0.00 179.24 177.76 1wdm h MET 656 N 0.12 0.00 0.00 0.28 2.86 0.60 -2.75 114.93 116.04 1wdm h MET 656 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1wdm h MET 656 Cb 2.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.78 1wdm h MET 656 CO 0.22 0.54 0.07 0.78 1.06 0.00 0.00 176.91 179.59 1wdm h GLY 657 N 2.14 0.00 0.00 8.32 0.00 -0.57 -1.56 103.07 111.40 1wdm h GLY 657 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1wdm h GLY 657 CO 0.07 0.00 -2.52 1.04 0.00 0.00 0.00 176.54 175.13 1wdm n LEU 658 N -2.42 2.04 -0.33 3.11 4.77 -1.06 -3.16 117.00 119.95 1wdm n LEU 658 Ca -0.02 0.30 0.31 0.00 -0.03 0.00 0.00 56.01 56.58 1wdm n LEU 658 Cb 0.11 -0.83 0.67 0.00 -2.33 0.00 0.00 43.42 41.04 1wdm n LEU 658 CO 0.11 0.60 1.28 0.58 -1.33 0.00 0.00 177.39 178.64 1wdm h VAL 659 N -0.92 0.43 0.03 4.08 2.07 -1.19 0.22 116.25 120.97 1wdm h VAL 659 Ca -0.69 -0.05 -0.37 0.00 0.82 0.00 0.00 66.70 66.42 1wdm h VAL 659 Cb 1.64 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1wdm h VAL 659 CO -0.40 0.02 -2.10 -1.22 0.02 0.00 0.00 177.57 173.90 1wdm n TYR 660 N -4.35 0.53 -0.02 1.57 0.53 -0.65 -4.04 117.16 110.73 1wdm n TYR 660 Ca 0.26 0.17 -0.22 0.00 -1.02 0.00 0.00 57.90 57.09 1wdm n TYR 660 Cb 1.13 -1.06 -0.13 0.00 -1.03 0.00 0.00 39.34 38.25 1wdm n TYR 660 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wdm n GLY 661 N 1.72 -0.61 0.03 2.72 0.00 -0.97 -4.06 105.19 104.02 1wdm n GLY 661 Ca -0.42 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1wdm n GLY 661 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wdm n ILE 662 N -3.70 0.17 -2.79 -0.61 3.06 0.54 -4.97 119.36 111.06 1wdm n ILE 662 Ca -0.32 -0.17 -0.09 0.00 -2.50 0.00 0.00 62.75 59.67 1wdm n ILE 662 Cb 0.96 0.16 0.02 0.00 0.54 0.00 0.00 39.64 41.33 1wdm n ILE 662 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1wdm n GLY 663 N 1.40 0.33 3.74 4.50 0.00 0.15 -4.96 105.19 110.36 1wdm n GLY 663 Ca 0.03 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1wdm n GLY 663 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wdm n PHE 664 N -3.55 2.78 -1.61 1.61 7.35 -1.16 -4.51 117.46 118.37 1wdm n PHE 664 Ca -0.01 0.35 -0.53 0.00 -0.76 0.00 0.00 57.45 56.49 1wdm n PHE 664 Cb 0.53 -2.55 -0.06 0.00 0.35 0.00 0.00 39.48 37.75 1wdm n PHE 664 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1wdm n PRO 665 N 1.56 1.13 0.13 -7.13 -0.02 -1.26 -4.70 135.00 124.71 1wdm n PRO 665 Ca 0.07 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1wdm n PRO 665 Cb 0.37 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1wdm n PRO 665 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1wdm h LEU 666 N 5.03 -0.28 0.00 2.45 3.38 -1.88 -2.97 115.31 121.05 1wdm h LEU 666 Ca -0.48 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1wdm h LEU 666 Cb 1.33 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1wdm h LEU 666 CO 0.81 0.02 0.00 2.22 0.09 0.00 0.00 178.44 181.58 1wdm n PHE 667 N -5.12 0.00 0.28 1.13 1.16 -1.26 0.74 117.46 114.40 1wdm n PHE 667 Ca -0.09 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.52 1wdm n PHE 667 Cb 0.23 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.12 1wdm n PHE 667 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1wdm n ARG 668 N -0.87 0.61 0.00 3.97 1.74 -1.12 -4.57 116.66 116.41 1wdm n ARG 668 Ca 0.00 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1wdm n ARG 668 Cb 0.00 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1wdm n ARG 668 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wdm n GLY 669 N 0.48 1.01 0.00 -0.13 0.00 0.23 -4.02 105.19 102.77 1wdm n GLY 669 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1wdm n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdm n GLY 670 N 0.00 -0.37 0.17 -0.02 0.00 -1.26 -4.86 105.19 98.85 1wdm n GLY 670 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1wdm n GLY 670 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdm h ALA 671 N 0.00 -0.20 -0.14 4.61 0.00 -1.87 0.20 119.26 121.86 1wdm h ALA 671 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1wdm h ALA 671 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wdm h ALA 671 CO 0.00 -0.64 -0.11 -0.07 0.00 0.00 0.00 179.25 178.43 1wdm h LEU 672 N -0.25 0.34 -1.19 0.00 3.38 -1.93 -2.83 115.31 112.83 1wdm h LEU 672 Ca 0.03 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1wdm h LEU 672 Cb 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wdm h LEU 672 CO -0.08 0.72 0.00 -0.09 0.09 0.00 0.00 178.44 179.08 1wdm h ARG 673 N -0.03 0.00 -0.08 1.13 2.43 -1.84 0.04 114.38 116.03 1wdm h ARG 673 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 1wdm h ARG 673 Cb 0.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1wdm h ARG 673 CO 0.03 0.00 -0.71 -0.92 -1.51 0.00 0.00 179.97 176.86 1wdm h TYR 674 N 0.00 0.50 0.02 2.20 3.20 -0.35 -1.64 116.97 120.90 1wdm h TYR 674 Ca 0.00 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 1wdm h TYR 674 Cb 0.26 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1wdm h TYR 674 CO 0.00 0.96 -0.01 0.82 -1.64 0.00 0.00 178.16 178.30 1wdm h ILE 675 N 0.26 1.32 -0.14 1.81 2.04 -0.90 -2.37 117.51 119.53 1wdm h ILE 675 Ca -0.03 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.83 1wdm h ILE 675 Cb 1.28 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 1wdm h ILE 675 CO 0.12 0.27 0.14 0.44 0.00 0.00 0.00 178.15 179.12 1wdm h ASP 676 N -0.47 0.00 0.17 1.72 5.19 -1.37 0.30 116.42 121.95 1wdm h ASP 676 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1wdm h ASP 676 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1wdm h ASP 676 CO 0.00 0.00 -0.08 0.28 -3.12 0.00 0.00 179.24 176.32 1wdm h SER 677 N 0.00 -0.20 -0.33 6.45 0.02 -1.08 -3.33 113.55 115.09 1wdm h SER 677 Ca 0.07 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1wdm h SER 677 Cb 0.34 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1wdm h SER 677 CO -0.00 0.33 -0.00 0.40 -1.14 0.00 0.00 176.83 176.42 1wdm h ILE 678 N -0.83 1.26 0.00 3.27 2.04 -0.89 -3.48 117.51 118.87 1wdm h ILE 678 Ca -0.02 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1wdm h ILE 678 Cb 0.52 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1wdm h ILE 678 CO 0.04 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.12 1wdm n GLY 679 N -0.33 3.11 0.32 5.37 0.00 1.00 -4.74 105.19 109.91 1wdm n GLY 679 Ca -0.02 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1wdm n GLY 679 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wdm h VAL 680 N 0.00 0.20 0.19 1.61 2.07 -1.83 1.06 116.25 119.55 1wdm h VAL 680 Ca 0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1wdm h VAL 680 Cb 0.00 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1wdm h VAL 680 CO 0.00 0.02 -0.09 0.00 0.02 0.00 0.00 177.57 177.52 1wdm h ALA 681 N 1.86 -0.26 0.00 1.67 0.00 -1.91 -2.55 119.26 118.06 1wdm h ALA 681 Ca 0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wdm h ALA 681 Cb 1.20 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wdm h ALA 681 CO -0.75 -0.39 -0.00 0.93 0.00 0.00 0.00 179.25 179.03 1wdm h GLU 682 N -0.78 0.00 -0.05 0.00 3.07 -1.38 -1.75 114.58 113.70 1wdm h GLU 682 Ca -0.03 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1wdm h GLU 682 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1wdm h GLU 682 CO 0.04 0.00 -0.24 0.35 -1.40 0.00 0.00 179.01 177.77 1wdm h PHE 683 N 0.00 0.33 -0.26 4.33 3.57 0.11 -1.87 116.94 123.15 1wdm h PHE 683 Ca -0.00 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1wdm h PHE 683 Cb 0.02 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1wdm h PHE 683 CO 0.00 0.87 0.08 0.28 -2.23 0.00 0.00 178.31 177.32 1wdm h VAL 684 N -0.31 0.93 0.03 1.41 2.07 -0.91 0.99 116.25 120.47 1wdm h VAL 684 Ca -0.02 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1wdm h VAL 684 Cb 0.91 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1wdm h VAL 684 CO 0.05 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.50 1wdm h ALA 685 N 1.16 -0.24 -0.73 1.67 0.00 -1.44 -0.03 119.26 119.65 1wdm h ALA 685 Ca 0.11 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1wdm h ALA 685 Cb 0.09 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1wdm h ALA 685 CO -0.12 -0.68 0.48 1.25 0.00 0.00 0.00 179.25 180.18 1wdm h LEU 686 N -0.30 0.57 -0.89 0.00 6.46 -0.99 0.32 115.31 120.48 1wdm h LEU 686 Ca 0.04 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.70 1wdm h LEU 686 Cb 0.35 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1wdm h LEU 686 CO -0.14 0.34 -0.55 0.00 -0.62 0.00 0.00 178.44 177.47 1wdm h ALA 687 N 1.63 1.08 -0.05 1.25 0.00 0.25 -2.99 119.26 120.44 1wdm h ALA 687 Ca 0.34 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1wdm h ALA 687 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wdm h ALA 687 CO -0.12 0.68 -0.54 -0.44 0.00 0.00 0.00 179.25 178.84 1wdm h ASP 688 N 0.02 0.15 0.03 0.00 3.32 0.90 -2.75 116.42 118.09 1wdm h ASP 688 Ca -0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1wdm h ASP 688 Cb 0.97 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1wdm h ASP 688 CO 0.07 0.66 -0.01 1.56 -1.72 0.00 0.00 179.24 179.80 1wdm h GLN 689 N 0.10 0.00 -0.31 3.56 4.20 -1.29 -0.29 115.11 121.08 1wdm h GLN 689 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wdm h GLN 689 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1wdm h GLN 689 CO 0.08 0.01 0.00 0.66 -0.67 0.00 0.00 178.83 178.91 1wdm n TYR 690 N -4.03 0.39 -0.43 2.96 4.02 -1.06 -4.56 117.16 114.45 1wdm n TYR 690 Ca -0.03 -0.23 0.36 0.00 -0.01 0.00 0.00 57.90 57.99 1wdm n TYR 690 Cb 0.10 -0.00 0.66 0.00 -0.02 0.00 0.00 39.34 40.08 1wdm n TYR 690 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wdm h ALA 691 N 3.88 2.85 0.00 -0.72 0.00 -0.80 0.53 119.26 125.00 1wdm h ALA 691 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wdm h ALA 691 Cb 0.89 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wdm h ALA 691 CO 0.00 -1.37 0.00 -0.85 0.00 0.00 0.00 179.25 177.03 1wdm n GLU 692 N -4.47 0.10 0.06 0.00 -0.00 -1.26 -2.60 120.64 112.46 1wdm n GLU 692 Ca 0.33 0.23 -0.07 0.00 -0.00 0.00 0.00 57.16 57.66 1wdm n GLU 692 Cb 1.35 -1.50 -0.12 0.00 -0.00 0.00 0.00 31.44 31.18 1wdm n GLU 692 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1wdm h LEU 693 N 0.00 0.00 0.00 -1.84 3.38 -0.30 -3.50 115.31 113.06 1wdm h LEU 693 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdm h LEU 693 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wdm h LEU 693 CO 0.00 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1wdm n GLY 694 N 1.35 3.23 0.07 0.83 0.00 -1.07 -4.90 105.19 104.70 1wdm n GLY 694 Ca -0.00 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.78 1wdm n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdm n ALA 695 N -1.46 0.71 0.21 4.61 0.00 -1.26 -0.09 120.51 123.23 1wdm n ALA 695 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1wdm n ALA 695 Cb 0.00 -0.79 0.33 0.00 0.00 0.00 0.00 19.45 18.99 1wdm n ALA 695 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wdm h LEU 696 N 0.00 0.00 -2.58 0.00 3.38 -1.91 -3.07 115.31 111.13 1wdm h LEU 696 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdm h LEU 696 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wdm h LEU 696 CO 0.00 0.24 0.00 -1.22 0.09 0.00 0.00 178.44 177.55 1wdm n TYR 697 N -3.28 0.63 -2.89 1.13 4.02 0.88 -4.52 117.16 113.14 1wdm n TYR 697 Ca 0.01 -0.40 -0.43 0.00 -0.01 0.00 0.00 57.90 57.07 1wdm n TYR 697 Cb 0.51 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.77 1wdm n TYR 697 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1wdm s HIS 698 N -1.12 2.93 0.97 -0.72 3.76 -1.16 -4.61 115.29 115.33 1wdm s HIS 698 Ca 0.36 0.19 -0.13 0.00 -0.15 0.00 0.00 55.06 55.33 1wdm s HIS 698 Cb 0.20 -3.86 0.03 0.00 1.11 0.00 0.00 32.58 30.06 1wdm s HIS 698 CO 0.26 -1.11 0.30 -2.30 -0.85 0.00 0.00 174.74 171.05 1wdm n PRO 699 N 7.03 -0.40 -3.11 8.40 -0.02 -1.26 -4.97 135.00 140.67 1wdm n PRO 699 Ca 0.03 -0.08 -0.29 0.00 -2.02 0.00 0.00 63.50 61.15 1wdm n PRO 699 Cb 0.48 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1wdm n PRO 699 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wdm s THR 700 N -2.36 4.94 0.21 3.45 -4.23 -1.26 -4.97 115.64 111.42 1wdm s THR 700 Ca 0.56 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 61.20 1wdm s THR 700 Cb -0.20 -3.75 0.14 0.00 1.34 0.00 0.00 72.50 70.03 1wdm s THR 700 CO 0.68 -0.45 1.83 0.00 -0.54 0.00 0.00 174.62 176.15 1wdm h ALA 701 N 1.35 0.89 0.00 3.99 0.00 -2.00 -1.04 119.26 122.45 1wdm h ALA 701 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wdm h ALA 701 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wdm h ALA 701 CO 0.65 0.15 0.00 1.57 0.00 0.00 0.00 179.25 181.61 1wdm h LYS 702 N 0.79 0.00 0.04 0.00 -0.00 -2.00 -2.57 116.57 112.83 1wdm h LYS 702 Ca 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.93 1wdm h LYS 702 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.30 1wdm h LYS 702 CO -0.13 0.00 -0.02 1.25 -0.00 0.00 0.00 179.45 180.55 1wdm h LEU 703 N 0.00 -0.05 -1.48 7.07 6.46 -1.61 -2.97 115.31 122.74 1wdm h LEU 703 Ca 0.00 -0.50 0.25 0.00 -0.12 0.00 0.00 57.88 57.52 1wdm h LEU 703 Cb 0.40 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.26 1wdm h LEU 703 CO 0.00 0.67 0.66 0.03 -0.62 0.00 0.00 178.44 179.18 1wdm h ARG 704 N -0.97 0.35 0.50 1.25 3.08 -1.25 0.20 114.38 117.54 1wdm h ARG 704 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1wdm h ARG 704 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1wdm h ARG 704 CO 0.01 0.23 -0.24 1.49 -1.07 0.00 0.00 179.97 180.39 1wdm h GLU 705 N 0.36 -0.65 0.00 0.04 4.81 -1.51 -2.60 114.58 115.02 1wdm h GLU 705 Ca 0.55 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1wdm h GLU 705 Cb 1.47 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 1wdm h GLU 705 CO -0.23 -0.43 -0.01 0.00 -0.73 0.00 0.00 179.01 177.61 1wdm h MET 706 N -0.79 0.00 0.00 1.92 -0.00 -1.24 0.19 114.93 115.01 1wdm h MET 706 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.61 1wdm h MET 706 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1wdm h MET 706 CO 0.11 0.01 -0.11 0.00 -0.00 0.00 0.00 176.91 176.92 1wdm h ALA 707 N 1.99 1.02 0.00 -3.00 0.00 -0.46 -0.09 119.26 118.72 1wdm h ALA 707 Ca -0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 1wdm h ALA 707 Cb 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1wdm h ALA 707 CO 0.00 0.14 -1.72 0.36 0.00 0.00 0.00 179.25 178.03 1wdm n LYS 708 N -3.25 0.57 0.00 0.00 2.85 0.54 -4.14 118.16 114.74 1wdm n LYS 708 Ca 0.00 0.46 0.00 0.00 -1.05 0.00 0.00 58.31 57.73 1wdm n LYS 708 Cb 0.38 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 1wdm n LYS 708 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wdm n ASN 709 N -4.37 0.06 -0.95 -5.58 3.02 -0.55 -4.72 115.26 102.18 1wdm n ASN 709 Ca -0.40 -0.36 -0.12 0.00 -0.03 0.00 0.00 54.58 53.66 1wdm n ASN 709 Cb 0.75 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.84 1wdm n ASN 709 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdm n GLY 710 N -0.08 1.19 3.79 7.41 0.00 -1.17 -4.96 105.19 111.37 1wdm n GLY 710 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1wdm n GLY 710 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wdm s GLN 711 N -3.03 2.46 -0.02 1.61 -0.21 -0.06 -5.03 119.66 115.38 1wdm s GLN 711 Ca 0.00 0.94 -0.16 0.00 0.02 0.00 0.00 55.36 56.17 1wdm s GLN 711 Cb 0.00 -1.94 0.03 0.00 1.00 0.00 0.00 33.01 32.10 1wdm s GLN 711 CO 0.00 -1.43 0.34 -1.54 -2.12 0.00 0.00 175.29 170.54 1wdm s SER 712 N -3.68 -0.23 0.08 5.90 1.04 -1.26 -4.63 113.70 110.92 1wdm s SER 712 Ca 0.60 0.17 -0.33 0.00 0.48 0.00 0.00 55.95 56.87 1wdm s SER 712 Cb -0.15 0.35 -0.17 0.00 0.10 0.00 0.00 66.02 66.16 1wdm s SER 712 CO 0.55 -0.44 1.61 -0.26 0.98 0.00 0.00 173.24 175.69 1wdm h PHE 713 N 3.90 -0.96 -0.01 5.02 -1.00 -1.98 -3.28 116.94 118.64 1wdm h PHE 713 Ca -0.29 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.48 1wdm h PHE 713 Cb 1.17 0.35 0.00 0.00 3.61 0.00 0.00 35.95 41.08 1wdm h PHE 713 CO 0.51 -0.54 -0.49 1.19 -1.61 0.00 0.00 178.31 177.37 1wdm n PHE 714 N -5.49 0.00 0.00 -0.55 3.01 -1.26 -5.00 117.46 108.17 1wdm n PHE 714 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1wdm n PHE 714 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 1wdm n PHE 714 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18