#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 0.24 -2.78 3.17 2.04 -1.90 -3.41 117.51 114.87 1wdm h ILE 2 Ca 0.00 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 1wdm h ILE 2 Cb 0.00 0.03 -0.22 0.00 -0.74 0.00 0.00 36.82 35.89 1wdm h ILE 2 CO 0.00 0.04 -0.21 -0.47 0.00 0.00 0.00 178.15 177.51 1wdm s TYR 3 N -5.83 -0.37 -0.25 1.37 5.04 -1.03 -4.98 117.35 111.30 1wdm s TYR 3 Ca -0.11 0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 55.29 1wdm s TYR 3 Cb 0.28 0.16 0.11 0.00 0.35 0.00 0.00 41.96 42.86 1wdm s TYR 3 CO 0.78 -0.32 0.23 -2.00 -1.34 0.00 0.00 175.55 172.90 1wdm s GLU 4 N -0.47 0.24 0.00 4.97 2.12 -1.26 -1.64 118.70 122.66 1wdm s GLU 4 Ca -0.06 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1wdm s GLU 4 Cb -0.03 -1.01 0.00 0.00 0.26 0.00 0.00 34.13 33.35 1wdm s GLU 4 CO 0.03 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 1wdm n GLY 5 N 5.30 4.71 0.00 -1.50 0.00 0.38 -5.02 105.19 109.06 1wdm n GLY 5 Ca -0.04 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 1.01 0.00 1.61 5.02 -1.26 -4.54 118.16 119.99 1wdm n LYS 6 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1wdm n LYS 6 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.59 1.05 -3.47 7.82 0.00 -1.26 -0.78 120.51 122.28 1wdm n ALA 7 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1wdm n ALA 7 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.02 0.27 -0.19 0.00 1.01 -1.26 -0.94 121.20 119.07 1wdm s ILE 8 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1wdm s ILE 8 Cb 0.00 -0.32 0.05 0.00 0.01 0.00 0.00 42.46 42.20 1wdm s ILE 8 CO 0.00 0.14 -0.01 0.42 0.00 0.00 0.00 174.94 175.49 1wdm s THR 9 N 0.72 0.97 -0.83 2.92 -4.23 -0.84 -0.47 115.64 113.87 1wdm s THR 9 Ca -0.08 -0.75 -0.20 0.00 -1.18 0.00 0.00 61.69 59.49 1wdm s THR 9 Cb -0.11 -1.31 0.12 0.00 1.34 0.00 0.00 72.50 72.54 1wdm s THR 9 CO -0.01 -0.07 1.04 -0.69 -0.54 0.00 0.00 174.62 174.35 1wdm s VAL 10 N 1.67 4.66 -0.02 2.29 1.01 -0.65 -2.44 120.40 126.91 1wdm s VAL 10 Ca -0.02 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.61 1wdm s VAL 10 Cb -0.17 -4.72 -0.05 0.00 0.00 0.00 0.00 36.38 31.44 1wdm s VAL 10 CO -0.07 -1.45 0.32 -0.89 0.00 0.00 0.00 175.10 173.01 1wdm s THR 11 N 2.97 5.19 0.34 3.92 2.01 -0.40 -2.46 115.64 127.22 1wdm s THR 11 Ca 0.28 0.57 -0.22 0.00 0.31 0.00 0.00 61.69 62.63 1wdm s THR 11 Cb -0.10 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1wdm s THR 11 CO -0.03 0.54 0.88 0.00 -0.69 0.00 0.00 174.62 175.33 1wdm s ALA 12 N -1.12 3.20 0.00 7.40 0.00 -1.26 -0.28 121.76 129.70 1wdm s ALA 12 Ca 0.22 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1wdm s ALA 12 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1wdm s ALA 12 CO 0.11 0.21 0.00 1.28 0.00 0.00 0.00 175.76 177.36 1wdm n LEU 13 N 0.05 0.00 -4.50 0.00 4.77 0.42 -4.85 117.00 112.89 1wdm n LEU 13 Ca 0.03 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.72 1wdm n LEU 13 Cb 0.52 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.85 1wdm n LEU 13 CO 0.41 0.00 0.53 -1.83 -1.33 0.00 0.00 177.39 175.18 1wdm s GLU 14 N -0.94 -1.24 0.00 3.23 -1.05 -1.26 -3.69 118.70 113.76 1wdm s GLU 14 Ca 0.00 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 1wdm s GLU 14 Cb 0.00 -1.55 0.00 0.00 -0.44 0.00 0.00 34.13 32.14 1wdm s GLU 14 CO 0.00 -3.82 0.00 0.43 0.95 0.00 0.00 175.26 172.82 1wdm n SER 15 N -4.92 -0.66 0.00 0.83 7.64 -1.26 0.11 113.62 115.35 1wdm n SER 15 Ca 0.07 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wdm n SER 15 Cb 0.57 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.33 0.65 3.82 0.23 0.00 -1.24 -4.78 105.19 103.54 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 -2.77 4.10 0.00 -0.61 1.01 0.29 -2.22 121.20 121.00 1wdm s ILE 17 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1wdm s ILE 17 Cb 0.00 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1wdm s ILE 17 CO 0.00 -0.89 0.01 0.54 0.00 0.00 0.00 174.94 174.60 1wdm s VAL 18 N -3.05 0.04 -0.21 2.92 0.11 0.10 -0.44 120.40 119.87 1wdm s VAL 18 Ca 0.58 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 59.24 1wdm s VAL 18 Cb -0.14 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1wdm s VAL 18 CO 0.55 -0.19 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.38 1wdm s GLU 19 N -0.57 3.41 -0.45 1.54 2.12 0.61 -0.94 118.70 124.43 1wdm s GLU 19 Ca -0.06 -0.62 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 1wdm s GLU 19 Cb -0.04 -2.98 0.05 0.00 0.26 0.00 0.00 34.13 31.42 1wdm s GLU 19 CO -0.00 -0.13 0.36 -1.17 -0.54 0.00 0.00 175.26 173.77 1wdm s LEU 20 N 1.30 5.42 -0.12 2.70 0.20 0.18 -1.28 118.68 127.09 1wdm s LEU 20 Ca 0.04 -1.18 -0.03 0.00 0.69 0.00 0.00 54.13 53.65 1wdm s LEU 20 Cb -0.14 -2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 1wdm s LEU 20 CO -0.02 -0.57 -0.02 -0.75 -0.29 0.00 0.00 176.35 174.70 1wdm s LYS 21 N 1.65 3.33 -0.55 1.98 2.20 -1.02 -0.84 119.74 126.48 1wdm s LYS 21 Ca 0.04 -0.47 -0.21 0.00 -0.36 0.00 0.00 55.97 54.97 1wdm s LYS 21 Cb -0.22 -2.85 0.06 0.00 -1.51 0.00 0.00 37.83 33.31 1wdm s LYS 21 CO 0.08 0.47 0.77 -0.06 -0.36 0.00 0.00 175.35 176.24 1wdm s PHE 22 N -0.24 2.92 -0.46 4.03 0.08 -0.00 -1.99 117.98 122.31 1wdm s PHE 22 Ca 0.05 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.70 1wdm s PHE 22 Cb -0.13 -3.85 0.17 0.00 -0.57 0.00 0.00 43.02 38.64 1wdm s PHE 22 CO 0.02 -1.24 0.35 0.34 -0.10 0.00 0.00 175.22 174.60 1wdm s ASP 23 N 2.97 2.26 -0.32 1.36 3.68 -0.12 -1.62 116.67 124.89 1wdm s ASP 23 Ca 0.20 -3.13 -0.28 0.00 2.13 0.00 0.00 52.55 51.47 1wdm s ASP 23 Cb -0.18 -0.68 -0.03 0.00 -1.45 0.00 0.00 42.92 40.58 1wdm s ASP 23 CO 0.13 -0.17 2.00 -0.22 0.13 0.00 0.00 175.17 177.05 1wdm s LEU 24 N -0.13 3.46 0.07 -1.34 2.96 -1.24 -4.24 118.68 118.21 1wdm s LEU 24 Ca 0.30 1.43 -0.31 0.00 -0.22 0.00 0.00 54.13 55.33 1wdm s LEU 24 Cb -0.01 -3.36 -0.07 0.00 0.50 0.00 0.00 46.19 43.25 1wdm s LEU 24 CO -0.17 -1.94 1.45 -1.59 -1.32 0.00 0.00 176.35 172.77 1wdm s LYS 25 N 6.22 4.28 0.00 1.98 -2.85 0.04 -3.35 119.74 126.06 1wdm s LYS 25 Ca 0.88 2.09 0.00 0.00 -1.00 0.00 0.00 55.97 57.94 1wdm s LYS 25 Cb -0.25 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.11 1wdm s LYS 25 CO 0.33 -0.54 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1wdm n GLY 26 N 3.64 3.28 0.00 0.59 0.00 -1.26 -4.99 105.19 106.46 1wdm n GLY 26 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.38 1.61 0.00 1.61 -0.58 -1.21 -5.06 120.64 115.62 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 -2.07 0.77 0.00 1.62 3.41 -1.26 -5.01 113.62 111.08 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 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -3.82 -3.33 0.24 -1.26 -4.70 118.33 105.15 1wdm n VAL 29 Ca 0.01 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.11 1wdm n VAL 29 Cb 0.04 0.00 -0.17 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 0.98 0.02 -1.34 0.01 -1.26 -4.36 114.94 109.98 1wdm s ASN 30 Ca 0.00 -0.02 -0.08 0.00 -0.71 0.00 0.00 52.86 52.05 1wdm s ASN 30 Cb 0.00 -0.28 -0.00 0.00 0.41 0.00 0.00 41.25 41.38 1wdm s ASN 30 CO 0.00 -0.17 0.15 -0.54 -1.51 0.00 0.00 177.10 175.03 1wdm s LYS 31 N 1.60 0.56 -1.22 -0.60 3.01 -1.26 -0.11 119.74 121.72 1wdm s LYS 31 Ca -0.02 -0.52 -0.16 0.00 -1.01 0.00 0.00 55.97 54.26 1wdm s LYS 31 Cb -0.13 0.23 0.13 0.00 -1.01 0.00 0.00 37.83 37.05 1wdm s LYS 31 CO -0.03 -0.14 1.52 -0.06 0.51 0.00 0.00 175.35 177.15 1wdm s PHE 32 N -1.91 3.21 0.12 3.18 0.40 -1.26 -4.71 117.98 117.01 1wdm s PHE 32 Ca -0.10 -1.89 0.00 0.00 -0.60 0.00 0.00 56.93 54.34 1wdm s PHE 32 Cb -0.05 -4.48 0.02 0.00 0.51 0.00 0.00 43.02 39.03 1wdm s PHE 32 CO -0.01 -1.56 0.17 0.27 0.70 0.00 0.00 175.22 174.79 1wdm n ASN 33 N 6.73 0.26 -0.07 1.36 0.23 -1.26 -4.78 115.26 117.73 1wdm n ASN 33 Ca 0.40 -1.21 -0.07 0.00 -0.53 0.00 0.00 54.58 53.17 1wdm n ASN 33 Cb 0.44 -0.10 -0.01 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.07 0.81 -3.83 -0.00 -2.00 -2.43 114.38 107.00 1wdm h ARG 34 Ca -0.06 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.88 1wdm h ARG 34 Cb 0.21 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 1wdm h ARG 34 CO 0.06 0.05 -0.44 1.25 -0.00 0.00 0.00 179.97 180.89 1wdm h LEU 35 N 0.07 -1.08 -0.77 0.08 5.85 -1.96 -1.27 115.31 116.23 1wdm h LEU 35 Ca 0.13 0.05 0.15 0.00 0.84 0.00 0.00 57.88 59.05 1wdm h LEU 35 Cb 0.17 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 41.35 1wdm h LEU 35 CO -0.22 -0.71 -0.19 0.74 -0.34 0.00 0.00 178.44 177.72 1wdm h THR 36 N -1.15 0.23 0.53 1.05 2.02 -1.83 0.16 112.91 113.92 1wdm h THR 36 Ca -0.11 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1wdm h THR 36 Cb 0.90 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1wdm h THR 36 CO 0.15 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.71 1wdm h LEU 37 N 0.00 -0.60 -1.53 2.58 3.38 -1.39 -1.10 115.31 116.65 1wdm h LEU 37 Ca 0.37 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.51 1wdm h LEU 37 Cb 0.57 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1wdm h LEU 37 CO -0.79 -0.36 0.57 0.78 0.09 0.00 0.00 178.44 178.73 1wdm h ASN 38 N -0.82 0.40 -0.02 -0.43 -0.26 -0.17 -0.32 115.58 113.96 1wdm h ASN 38 Ca -0.07 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.62 1wdm h ASN 38 Cb 0.59 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1wdm h ASN 38 CO 0.12 0.17 -0.31 -0.33 -1.06 0.00 0.00 177.43 176.03 1wdm h GLU 39 N 0.41 0.25 -0.64 0.81 5.08 -0.56 -2.65 114.58 117.27 1wdm h GLU 39 Ca 0.44 -0.24 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1wdm h GLU 39 Cb 1.09 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1wdm h GLU 39 CO -0.16 0.93 0.43 1.25 -1.00 0.00 0.00 179.01 180.45 1wdm h LEU 40 N -0.34 0.39 -0.02 1.33 6.46 -0.25 0.87 115.31 123.76 1wdm h LEU 40 Ca -0.03 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1wdm h LEU 40 Cb 1.02 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1wdm h LEU 40 CO 0.06 0.23 0.01 -0.09 -0.62 0.00 0.00 178.44 178.04 1wdm h ARG 41 N 0.44 0.03 -0.47 1.25 9.65 -1.03 -0.34 114.38 123.91 1wdm h ARG 41 Ca 0.30 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.12 1wdm h ARG 41 Cb 0.59 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 1wdm h ARG 41 CO -0.09 0.05 0.07 1.96 2.80 0.00 0.00 179.97 184.77 1wdm h GLN 42 N -0.00 0.78 -0.53 0.20 1.08 -0.25 -2.16 115.11 114.22 1wdm h GLN 42 Ca 0.01 -0.21 0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1wdm h GLN 42 Cb 0.03 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 1wdm h GLN 42 CO -0.00 0.79 0.22 0.00 -0.95 0.00 0.00 178.83 178.90 1wdm h ALA 43 N 0.95 0.67 0.15 3.87 0.00 0.89 -0.45 119.26 125.34 1wdm h ALA 43 Ca 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1wdm h ALA 43 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wdm h ALA 43 CO 0.01 -0.16 -0.07 0.28 0.00 0.00 0.00 179.25 179.31 1wdm h VAL 44 N 0.43 0.94 -0.85 0.00 2.07 -0.96 -2.29 116.25 115.59 1wdm h VAL 44 Ca 0.25 -0.41 0.21 0.00 0.82 0.00 0.00 66.70 67.58 1wdm h VAL 44 Cb 0.23 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1wdm h VAL 44 CO -0.22 0.10 0.58 0.44 0.02 0.00 0.00 177.57 178.49 1wdm h ASP 45 N -0.39 0.24 0.01 0.57 3.32 -0.95 0.49 116.42 119.71 1wdm h ASP 45 Ca -0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wdm h ASP 45 Cb 0.31 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1wdm h ASP 45 CO 0.03 0.10 -0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1wdm h ALA 46 N 1.61 -0.01 0.46 3.45 0.00 -0.73 -1.27 119.26 122.76 1wdm h ALA 46 Ca 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1wdm h ALA 46 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wdm h ALA 46 CO -0.10 -0.30 -0.22 0.82 0.00 0.00 0.00 179.25 179.44 1wdm h ILE 47 N -0.42 0.54 -0.75 0.00 2.04 -0.44 0.13 117.51 118.61 1wdm h ILE 47 Ca -0.00 -0.14 0.19 0.00 1.00 0.00 0.00 64.86 65.91 1wdm h ILE 47 Cb 0.41 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1wdm h ILE 47 CO 0.00 0.03 0.52 0.50 0.00 0.00 0.00 178.15 179.20 1wdm h LYS 48 N -0.70 0.20 0.00 2.37 3.64 -0.18 0.50 116.57 122.41 1wdm h LYS 48 Ca -0.06 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1wdm h LYS 48 Cb 0.51 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1wdm h LYS 48 CO 0.10 0.13 -0.96 0.00 -2.27 0.00 0.00 179.45 176.46 1wdm h ALA 49 N 1.64 0.65 -1.65 5.00 0.00 -0.86 -3.43 119.26 120.60 1wdm h ALA 49 Ca 0.37 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 1wdm h ALA 49 Cb 1.15 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1wdm h ALA 49 CO -0.07 0.49 0.88 0.34 0.00 0.00 0.00 179.25 180.89 1wdm s ASP 50 N -5.84 6.45 0.00 0.00 3.68 0.41 -4.87 116.67 116.50 1wdm s ASP 50 Ca 0.00 0.06 0.05 0.00 2.13 0.00 0.00 52.55 54.80 1wdm s ASP 50 Cb 0.08 -2.53 0.30 0.00 -1.45 0.00 0.00 42.92 39.33 1wdm s ASP 50 CO 0.78 -1.39 1.03 0.00 0.13 0.00 0.00 175.17 175.71 1wdm n ALA 51 N 8.15 2.35 -0.05 3.66 0.00 -1.26 -3.01 120.51 130.34 1wdm n ALA 51 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1wdm n ALA 51 Cb 0.49 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.60 0.33 -4.72 0.00 3.41 -1.26 -4.95 113.62 105.84 1wdm n SER 52 Ca 0.04 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 1wdm n SER 52 Cb 0.02 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.79 0.29 0.00 -3.33 0.31 -1.17 -4.86 118.33 106.79 1wdm n VAL 53 Ca -0.23 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1wdm n VAL 53 Cb 1.02 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 3.41 3.46 -3.65 5.55 4.76 -0.94 -5.01 118.16 125.74 1wdm n LYS 54 Ca 0.14 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.44 1wdm n LYS 54 Cb 0.35 -0.73 -0.08 0.00 -1.84 0.00 0.00 35.03 32.73 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 -1.44 -0.48 -0.03 0.72 0.00 -1.25 -4.29 107.32 100.55 1wdm s GLY 55 Ca 0.00 1.73 0.07 0.00 0.00 0.00 0.00 44.72 46.52 1wdm s GLY 55 CO 0.00 1.48 -0.24 0.14 0.00 0.00 0.00 173.10 174.48 1wdm s VAL 56 N 0.18 1.91 -0.01 1.40 1.01 -0.41 0.01 120.40 124.49 1wdm s VAL 56 Ca -0.01 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1wdm s VAL 56 Cb -0.04 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1wdm s VAL 56 CO 0.02 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1wdm s ILE 57 N -0.49 1.52 -0.31 2.22 1.01 -0.11 -1.80 121.20 123.24 1wdm s ILE 57 Ca 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1wdm s ILE 57 Cb -0.10 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.16 1wdm s ILE 57 CO -0.00 0.41 0.02 -0.69 0.00 0.00 0.00 174.94 174.68 1wdm s VAL 58 N -0.48 3.01 0.51 2.92 1.01 0.87 0.52 120.40 128.76 1wdm s VAL 58 Ca 0.07 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1wdm s VAL 58 Cb -0.07 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1wdm s VAL 58 CO -0.01 -0.18 0.11 -0.94 0.00 0.00 0.00 175.10 174.08 1wdm s SER 59 N 1.30 4.26 -0.03 3.32 1.04 -0.02 -0.22 113.70 123.35 1wdm s SER 59 Ca -0.03 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.89 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 -0.88 0.01 -0.55 0.98 0.00 0.00 173.24 172.79 1wdm s SER 60 N -3.97 0.31 -0.14 7.02 0.15 -1.26 -0.82 113.70 114.98 1wdm s SER 60 Ca 0.16 0.00 0.08 0.00 0.70 0.00 0.00 55.95 56.89 1wdm s SER 60 Cb 0.01 -0.16 0.48 0.00 -1.71 0.00 0.00 66.02 64.64 1wdm s SER 60 CO 0.09 -0.12 1.23 0.61 1.20 0.00 0.00 173.24 176.25 1wdm n GLY 61 N 4.20 2.38 3.74 9.45 0.00 -0.64 -4.90 105.19 119.42 1wdm n GLY 61 Ca -0.26 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1wdm n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wdm s LYS 62 N -2.03 2.17 0.39 1.61 0.00 -1.26 -4.97 119.74 115.65 1wdm s LYS 62 Ca 0.32 -2.38 0.14 0.00 0.00 0.00 0.00 55.97 54.05 1wdm s LYS 62 Cb 0.24 -1.45 0.80 0.00 0.00 0.00 0.00 37.83 37.42 1wdm s LYS 62 CO 0.09 -0.36 1.86 -0.44 0.00 0.00 0.00 175.35 176.50 1wdm h ASP 63 N 1.40 0.00 -2.11 0.03 3.32 -1.91 -3.43 116.42 113.72 1wdm h ASP 63 Ca -0.43 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.07 1wdm h ASP 63 Cb 1.31 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.77 1wdm h ASP 63 CO 0.73 0.33 -0.60 0.68 -1.72 0.00 0.00 179.24 178.66 1wdm s VAL 64 N -4.23 3.42 0.00 -1.35 -7.23 -1.26 -4.30 120.40 105.45 1wdm s VAL 64 Ca -0.03 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1wdm s VAL 64 Cb 0.14 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1wdm s VAL 64 CO 0.71 -0.32 0.13 0.33 -0.31 0.00 0.00 175.10 175.65 1wdm n PHE 65 N -1.00 0.00 -3.30 2.82 7.35 0.12 -4.69 117.46 118.77 1wdm n PHE 65 Ca -0.06 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.58 1wdm n PHE 65 Cb 0.60 -0.10 -0.06 0.00 0.35 0.00 0.00 39.48 40.26 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 -0.47 -0.71 0.18 -2.13 1.01 -0.88 -4.57 121.20 113.64 1wdm s ILE 66 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1wdm s ILE 66 Cb 0.00 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.65 1wdm s ILE 66 CO 0.00 -0.09 0.25 1.33 0.00 0.00 0.00 174.94 176.43 1wdm n VAL 67 N 5.38 0.00 -1.65 2.92 0.24 0.84 -2.08 118.33 123.99 1wdm n VAL 67 Ca -0.03 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.61 1wdm n VAL 67 Cb 0.50 -1.35 0.04 0.00 -1.47 0.00 0.00 33.84 31.56 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 -3.12 1.68 0.89 7.63 0.00 -1.25 -4.29 107.32 108.85 1wdm s GLY 68 Ca 0.16 0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 1wdm s GLY 68 CO 0.11 0.36 1.10 0.00 0.00 0.00 0.00 173.10 174.67 1wdm s ALA 69 N -3.05 1.66 0.15 3.20 0.00 -1.26 -4.72 121.76 117.75 1wdm s ALA 69 Ca 0.58 -0.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.03 1wdm s ALA 69 Cb -0.13 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 1wdm s ALA 69 CO 0.54 -2.25 1.77 -0.25 0.00 0.00 0.00 175.76 175.56 1wdm n ASP 70 N -3.80 3.90 0.02 0.00 8.00 -1.26 -4.80 116.55 118.60 1wdm n ASP 70 Ca 0.07 1.03 0.23 0.00 0.71 0.00 0.00 54.79 56.82 1wdm n ASP 70 Cb 0.56 -1.54 0.71 0.00 -0.02 0.00 0.00 41.12 40.84 1wdm n ASP 70 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1wdm h ILE 71 N 4.24 0.36 0.07 0.53 6.09 -2.01 0.42 117.51 127.21 1wdm h ILE 71 Ca -0.45 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.06 1wdm h ILE 71 Cb 1.22 0.56 -0.03 0.00 0.47 0.00 0.00 36.82 39.04 1wdm h ILE 71 CO 0.94 0.00 -0.20 0.74 -3.07 0.00 0.00 178.15 176.56 1wdm h THR 72 N 0.00 0.53 -0.31 2.19 2.02 -1.99 -2.07 112.91 113.28 1wdm h THR 72 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 1wdm h THR 72 Cb 1.38 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1wdm h THR 72 CO -0.00 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 175.74 1wdm h GLU 73 N -0.37 0.41 0.71 6.66 5.08 -1.27 -2.62 114.58 123.18 1wdm h GLU 73 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1wdm h GLU 73 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1wdm h GLU 73 CO -0.14 0.29 -0.48 0.74 -1.00 0.00 0.00 179.01 178.43 1wdm h PHE 74 N 0.42 -1.28 -0.87 4.33 -1.00 -1.29 -0.60 116.94 116.65 1wdm h PHE 74 Ca 0.11 -0.01 0.22 0.00 2.81 0.00 0.00 57.97 61.10 1wdm h PHE 74 Cb -0.01 0.47 -0.15 0.00 3.61 0.00 0.00 35.95 39.86 1wdm h PHE 74 CO 0.00 -0.70 0.06 0.28 -1.61 0.00 0.00 178.31 176.34 1wdm h VAL 75 N -1.13 0.22 0.61 -0.55 2.07 -1.10 -1.34 116.25 115.03 1wdm h VAL 75 Ca -0.09 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1wdm h VAL 75 Cb 0.92 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1wdm h VAL 75 CO 0.07 0.02 -0.39 -0.33 0.02 0.00 0.00 177.57 176.95 1wdm h GLU 76 N 0.09 -0.91 -0.61 1.57 5.08 -1.12 -3.09 114.58 115.58 1wdm h GLU 76 Ca 0.51 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 59.05 1wdm h GLU 76 Cb 0.98 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 1wdm h GLU 76 CO -0.76 -0.61 0.08 -0.91 -1.00 0.00 0.00 179.01 175.81 1wdm h ASN 77 N -0.94 -0.11 0.00 1.42 4.21 -0.11 -0.20 115.58 119.85 1wdm h ASN 77 Ca -0.08 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1wdm h ASN 77 Cb 0.76 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.16 1wdm h ASN 77 CO 0.08 -0.05 0.00 0.49 -1.29 0.00 0.00 177.43 176.66 1wdm n PHE 78 N -5.19 0.00 -0.01 1.19 3.72 -0.60 -1.75 117.46 114.82 1wdm n PHE 78 Ca 0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.42 1wdm n PHE 78 Cb 0.35 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.76 1wdm n PHE 78 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1wdm h LYS 79 N 0.00 0.00 -7.16 -1.08 6.56 -0.94 -3.44 116.57 110.51 1wdm h LYS 79 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 1wdm h LYS 79 Cb 0.00 0.00 0.18 0.00 -0.57 0.00 0.00 32.23 31.84 1wdm h LYS 79 CO 0.00 0.49 0.32 1.28 -2.06 0.00 0.00 179.45 179.48 1wdm n LEU 80 N -3.04 4.49 -4.76 2.94 4.77 -0.72 -4.95 117.00 115.74 1wdm n LEU 80 Ca -0.15 0.62 -0.38 0.00 -0.03 0.00 0.00 56.01 56.07 1wdm n LEU 80 Cb 1.01 -1.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1wdm n LEU 80 CO 0.45 -1.66 0.92 -2.84 -1.33 0.00 0.00 177.39 172.93 1wdm s PRO 81 N -3.94 3.58 0.25 3.23 0.02 -1.26 -4.69 135.00 132.19 1wdm s PRO 81 Ca 0.74 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 63.67 1wdm s PRO 81 Cb -0.31 -2.43 0.33 0.00 0.02 0.00 0.00 34.50 32.11 1wdm s PRO 81 CO 0.50 -0.78 1.56 -0.44 -0.33 0.00 0.00 177.00 177.51 1wdm h ASP 82 N 1.98 -1.14 -0.11 2.53 5.19 -1.95 0.28 116.42 123.19 1wdm h ASP 82 Ca -0.50 0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1wdm h ASP 82 Cb 1.27 0.66 -0.01 0.00 0.18 0.00 0.00 39.33 41.43 1wdm h ASP 82 CO 0.60 -0.30 0.08 0.00 -3.12 0.00 0.00 179.24 176.49 1wdm h ALA 83 N 1.64 1.97 0.16 3.45 0.00 -2.00 -1.74 119.26 122.74 1wdm h ALA 83 Ca 0.39 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 1wdm h ALA 83 Cb 0.64 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.43 1wdm h ALA 83 CO -0.96 0.02 -0.98 0.93 0.00 0.00 0.00 179.25 178.25 1wdm h GLU 84 N 0.11 0.39 0.41 0.00 5.08 -0.87 -2.84 114.58 116.86 1wdm h GLU 84 Ca 0.05 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1wdm h GLU 84 Cb 0.05 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1wdm h GLU 84 CO -0.01 1.29 -0.27 1.25 -1.00 0.00 0.00 179.01 180.27 1wdm h LEU 85 N -0.19 -0.68 -0.58 1.33 5.85 -0.83 0.79 115.31 120.99 1wdm h LEU 85 Ca -0.17 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.68 1wdm h LEU 85 Cb 1.76 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.93 1wdm h LEU 85 CO 0.18 -0.42 0.22 0.40 -0.34 0.00 0.00 178.44 178.48 1wdm h ILE 86 N -0.66 0.79 0.00 4.05 2.04 -1.47 0.18 117.51 122.45 1wdm h ILE 86 Ca -0.04 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1wdm h ILE 86 Cb 0.55 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1wdm h ILE 86 CO 0.03 0.07 -0.11 0.00 0.00 0.00 0.00 178.15 178.14 1wdm h ALA 87 N 1.39 1.53 0.05 1.87 0.00 -1.23 0.17 119.26 123.04 1wdm h ALA 87 Ca 0.29 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 1wdm h ALA 87 Cb 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wdm h ALA 87 CO -0.28 0.14 -1.08 0.78 0.00 0.00 0.00 179.25 178.81 1wdm h GLY 88 N 0.52 0.58 1.86 0.00 0.00 0.17 -3.10 103.07 103.09 1wdm h GLY 88 Ca -0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 47.33 46.03 1wdm h GLY 88 CO 0.01 0.97 -0.89 3.43 0.00 0.00 0.00 176.54 180.07 1wdm h ASN 89 N 0.26 0.17 -0.20 0.19 2.35 -0.27 -2.79 115.58 115.29 1wdm h ASN 89 Ca -0.13 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1wdm h ASN 89 Cb 1.74 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.05 1wdm h ASN 89 CO 0.20 0.97 0.11 0.25 -1.65 0.00 0.00 177.43 177.31 1wdm h LEU 90 N 0.07 0.25 -1.04 1.61 5.85 -0.77 0.10 115.31 121.38 1wdm h LEU 90 Ca -0.04 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1wdm h LEU 90 Cb 1.53 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1wdm h LEU 90 CO 0.13 0.25 0.40 -0.08 -0.34 0.00 0.00 178.44 178.80 1wdm h GLU 91 N 0.22 1.08 -0.49 1.25 4.81 -1.56 -1.41 114.58 118.48 1wdm h GLU 91 Ca 0.07 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1wdm h GLU 91 Cb 0.06 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1wdm h GLU 91 CO -0.01 0.80 0.05 0.00 -0.73 0.00 0.00 179.01 179.12 1wdm h ALA 92 N 1.36 0.65 -0.49 2.92 0.00 -1.15 -2.99 119.26 119.56 1wdm h ALA 92 Ca 0.27 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1wdm h ALA 92 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wdm h ALA 92 CO -0.04 0.41 -0.05 -0.91 0.00 0.00 0.00 179.25 178.66 1wdm h ASN 93 N 0.70 0.83 -0.77 0.00 2.35 -0.45 -2.70 115.58 115.53 1wdm h ASN 93 Ca 0.14 -0.23 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1wdm h ASN 93 Cb 0.44 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1wdm h ASN 93 CO 0.02 0.92 0.50 0.11 -1.65 0.00 0.00 177.43 177.33 1wdm h LYS 94 N 0.78 0.80 -0.55 0.81 1.57 -1.13 0.31 116.57 119.15 1wdm h LYS 94 Ca 0.14 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1wdm h LYS 94 Cb 0.54 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1wdm h LYS 94 CO 0.03 0.53 0.27 0.82 -0.57 0.00 0.00 179.45 180.53 1wdm h ILE 95 N 0.82 0.93 0.13 1.86 2.04 -1.37 0.29 117.51 122.21 1wdm h ILE 95 Ca 0.33 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1wdm h ILE 95 Cb 0.25 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1wdm h ILE 95 CO -0.11 0.09 -0.06 -0.26 0.00 0.00 0.00 178.15 177.81 1wdm h PHE 96 N 0.51 -0.16 -0.85 1.37 0.05 -1.21 -2.77 116.94 113.88 1wdm h PHE 96 Ca 0.25 -0.00 0.16 0.00 3.82 0.00 0.00 57.97 62.20 1wdm h PHE 96 Cb 0.18 0.05 -0.10 0.00 2.00 0.00 0.00 35.95 38.09 1wdm h PHE 96 CO -0.11 0.31 0.41 0.77 -0.18 0.00 0.00 178.31 179.51 1wdm h SER 97 N -0.77 0.45 -0.27 2.17 0.02 -0.25 0.19 113.55 115.09 1wdm h SER 97 Ca -0.02 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1wdm h SER 97 Cb 0.54 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1wdm h SER 97 CO 0.03 0.16 0.17 0.44 -1.14 0.00 0.00 176.83 176.48 1wdm h ASP 98 N 0.55 0.32 0.13 3.07 3.32 -0.47 0.13 116.42 123.47 1wdm h ASP 98 Ca 0.48 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1wdm h ASP 98 Cb 0.74 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1wdm h ASP 98 CO -0.40 0.26 -0.04 0.15 -1.72 0.00 0.00 179.24 177.49 1wdm h PHE 99 N 0.35 0.00 0.00 4.55 3.04 -0.65 0.12 116.94 124.35 1wdm h PHE 99 Ca 0.10 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 1wdm h PHE 99 Cb -0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1wdm h PHE 99 CO -0.05 0.04 -0.53 1.49 -2.02 0.00 0.00 178.31 177.24 1wdm h GLU 100 N 0.00 0.00 -0.39 1.11 4.81 0.82 -3.24 114.58 117.69 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 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1wdm h GLU 100 CO 0.00 0.52 0.00 -0.25 -0.73 0.00 0.00 179.01 178.55 1wdm n ASP 101 N -3.23 2.62 -4.73 1.04 8.00 0.38 -4.95 116.55 115.68 1wdm n ASP 101 Ca 0.02 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 1wdm n ASP 101 Cb 0.74 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.93 4.12 -1.84 0.64 4.32 -0.98 -4.82 117.00 119.36 1wdm n LEU 102 Ca 0.17 1.09 -0.08 0.00 -0.02 0.00 0.00 56.01 57.17 1wdm n LEU 102 Cb 0.45 -1.58 -0.11 0.00 -1.62 0.00 0.00 43.42 40.56 1wdm n LEU 102 CO 0.13 0.18 1.36 -3.20 -1.22 0.00 0.00 177.39 174.65 1wdm n ASN 103 N 3.44 5.09 -3.72 -1.43 5.15 -1.26 -4.71 115.26 117.82 1wdm n ASN 103 Ca 0.14 -2.41 -0.12 0.00 -0.60 0.00 0.00 54.58 51.58 1wdm n ASN 103 Cb 0.35 -1.27 -0.10 0.00 -0.53 0.00 0.00 39.78 38.23 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 0.72 -0.01 0.17 3.44 1.01 -1.26 -5.04 120.40 119.44 1wdm s VAL 104 Ca 0.42 0.02 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 1wdm s VAL 104 Cb 0.20 -0.62 -0.12 0.00 0.00 0.00 0.00 36.38 35.85 1wdm s VAL 104 CO 0.00 0.01 1.75 -2.65 0.00 0.00 0.00 175.10 174.21 1wdm n PRO 105 N 3.20 2.71 -5.22 2.72 -0.02 -1.26 -4.76 135.00 132.36 1wdm n PRO 105 Ca -0.16 0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 1wdm n PRO 105 Cb 0.57 -2.83 -0.16 0.00 -0.02 0.00 0.00 33.50 31.05 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 1.69 1.98 -0.05 3.45 -4.23 -1.26 -1.29 115.64 115.93 1wdm s THR 106 Ca 0.78 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1wdm s THR 106 Cb -0.52 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1wdm s THR 106 CO 0.35 0.55 -0.13 -0.69 -0.54 0.00 0.00 174.62 174.16 1wdm s VAL 107 N -0.22 1.13 -0.30 2.29 1.01 -0.74 -1.66 120.40 121.91 1wdm s VAL 107 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1wdm s VAL 107 Cb -0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1wdm s VAL 107 CO 0.03 0.34 0.41 0.00 0.00 0.00 0.00 175.10 175.88 1wdm s ALA 108 N 0.34 3.54 -1.18 5.51 0.00 -0.66 -0.09 121.76 129.22 1wdm s ALA 108 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1wdm s ALA 108 Cb -0.12 -2.81 0.22 0.00 0.00 0.00 0.00 23.12 20.41 1wdm s ALA 108 CO 0.02 -0.85 1.43 0.00 0.00 0.00 0.00 175.76 176.37 1wdm n ALA 109 N 5.44 4.44 -1.78 0.00 0.00 0.69 -1.25 120.51 128.05 1wdm n ALA 109 Ca -0.07 -4.46 -0.38 0.00 0.00 0.00 0.00 53.44 48.52 1wdm n ALA 109 Cb 0.50 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 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 -0.11 3.18 -0.12 0.00 1.01 -0.24 -4.57 121.20 120.36 1wdm s ILE 110 Ca 0.37 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.19 1wdm s ILE 110 Cb -0.02 -3.41 -0.24 0.00 0.01 0.00 0.00 42.46 38.81 1wdm s ILE 110 CO -0.01 -0.37 0.37 -0.46 0.00 0.00 0.00 174.94 174.47 1wdm n ASN 111 N 13.75 1.41 -0.52 3.58 6.94 -1.26 -0.51 115.26 138.64 1wdm n ASN 111 Ca 0.29 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 1wdm n ASN 111 Cb 0.52 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 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 1.84 4.56 3.50 4.83 0.00 -1.26 -4.38 105.19 114.29 1wdm n GLY 112 Ca -0.28 -1.54 -0.45 0.00 0.00 0.00 0.00 46.02 43.75 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 1.94 -3.45 -0.61 -0.00 -1.26 -3.68 119.36 112.31 1wdm n ILE 113 Ca 0.00 -0.50 -0.24 0.00 -0.00 0.00 0.00 62.75 62.01 1wdm n ILE 113 Cb 0.00 -0.60 -0.11 0.00 -0.00 0.00 0.00 39.64 38.93 1wdm n ILE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wdm s ALA 114 N -1.15 0.25 -0.05 -1.39 0.00 -0.51 -0.70 121.76 118.21 1wdm s ALA 114 Ca 0.61 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1wdm s ALA 114 Cb -0.74 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1wdm s ALA 114 CO 0.58 -1.91 -0.03 -0.51 0.00 0.00 0.00 175.76 173.90 1wdm s LEU 115 N 1.70 3.39 0.00 0.00 1.43 -0.89 -2.60 118.68 121.71 1wdm s LEU 115 Ca 0.14 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1wdm s LEU 115 Cb -0.18 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1wdm s LEU 115 CO -0.17 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1wdm n GLY 116 N 1.94 3.32 0.42 -3.19 0.00 -0.76 -0.81 105.19 106.11 1wdm n GLY 116 Ca -0.17 0.19 0.25 0.00 0.00 0.00 0.00 46.02 46.29 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 1.17 0.89 -0.02 0.00 -1.89 0.55 103.07 103.78 1wdm h GLY 117 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1wdm h GLY 117 CO 0.00 -0.17 0.55 -1.33 0.00 0.00 0.00 176.54 175.59 1wdm h GLY 118 N 0.33 1.22 1.11 4.60 0.00 -1.02 0.98 103.07 110.30 1wdm h GLY 118 Ca 0.62 -0.42 -0.27 0.00 0.00 0.00 0.00 47.33 47.27 1wdm h GLY 118 CO -0.30 0.36 -1.12 -2.00 0.00 0.00 0.00 176.54 173.48 1wdm h LEU 119 N 1.07 0.79 -2.01 3.11 6.46 -0.20 -3.23 115.31 121.30 1wdm h LEU 119 Ca 0.33 -0.84 0.06 0.00 -0.12 0.00 0.00 57.88 57.32 1wdm h LEU 119 Cb -0.01 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 1wdm h LEU 119 CO -0.11 1.55 0.16 -0.33 -0.62 0.00 0.00 178.44 179.08 1wdm h GLU 120 N 0.14 0.00 -0.10 1.25 5.08 -0.01 -0.15 114.58 120.79 1wdm h GLU 120 Ca -0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1wdm h GLU 120 Cb 1.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1wdm h GLU 120 CO 0.22 0.00 0.00 1.98 -1.00 0.00 0.00 179.01 180.21 1wdm h MET 121 N 0.00 0.17 -0.46 2.33 4.05 -0.84 -3.07 114.93 117.11 1wdm h MET 121 Ca 0.10 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1wdm h MET 121 Cb 0.42 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 1wdm h MET 121 CO -0.00 0.42 0.29 0.00 0.23 0.00 0.00 176.91 177.85 1wdm h LEU 123 N 0.62 0.00 -0.03 0.00 3.38 -1.01 -0.32 115.31 117.95 1wdm h LEU 123 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1wdm h LEU 123 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wdm h LEU 123 CO -0.03 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 178.11 1wdm h ALA 124 N 1.28 0.09 -2.16 1.53 0.00 -1.20 -3.46 119.26 115.34 1wdm h ALA 124 Ca 0.09 -0.49 -0.47 0.00 0.00 0.00 0.00 54.91 54.05 1wdm h ALA 124 Cb 0.99 0.01 0.21 0.00 0.00 0.00 0.00 17.79 19.00 1wdm h ALA 124 CO -0.00 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.48 1wdm n ALA 125 N -2.54 -2.28 -0.41 0.00 0.00 -0.13 -4.56 120.51 110.59 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 0.55 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 -4.56 0.00 -4.99 0.00 8.00 -0.66 -4.93 116.55 109.40 1wdm n ASP 126 Ca 0.06 0.46 -0.19 0.00 0.71 0.00 0.00 54.79 55.82 1wdm n ASP 126 Cb 0.54 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.11 2.88 -0.17 1.24 0.40 -0.82 -4.90 117.98 115.50 1wdm s PHE 127 Ca 0.00 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1wdm s PHE 127 Cb 0.00 -2.54 0.07 0.00 0.51 0.00 0.00 43.02 41.06 1wdm s PHE 127 CO 0.00 -0.62 0.38 1.03 0.70 0.00 0.00 175.22 176.72 1wdm s ARG 128 N -4.55 0.33 -0.19 0.44 0.52 -1.26 -1.65 118.95 112.58 1wdm s ARG 128 Ca 0.55 0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 56.58 1wdm s ARG 128 Cb -0.10 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.44 1wdm s ARG 128 CO 0.36 -0.20 -0.13 0.08 0.02 0.00 0.00 175.30 175.43 1wdm s VAL 129 N 1.85 2.70 0.07 3.52 1.01 -0.38 -1.14 120.40 128.03 1wdm s VAL 129 Ca -0.06 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1wdm s VAL 129 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1wdm s VAL 129 CO -0.12 0.49 -0.13 -0.32 0.00 0.00 0.00 175.10 175.03 1wdm s MET 130 N 1.24 2.15 0.55 2.72 0.00 -0.22 -1.08 119.30 124.67 1wdm s MET 130 Ca 0.03 -0.98 -0.19 0.00 0.00 0.00 0.00 55.69 54.55 1wdm s MET 130 Cb -0.14 -2.29 -0.06 0.00 0.00 0.00 0.00 34.83 32.35 1wdm s MET 130 CO -0.06 0.53 1.11 0.00 0.00 0.00 0.00 175.02 176.59 1wdm s ALA 131 N -1.09 2.71 0.03 4.11 0.00 0.33 -1.78 121.76 126.06 1wdm s ALA 131 Ca 0.18 0.73 0.32 0.00 0.00 0.00 0.00 51.96 53.19 1wdm s ALA 131 Cb -0.11 -3.33 1.48 0.00 0.00 0.00 0.00 23.12 21.16 1wdm s ALA 131 CO 0.10 -0.74 1.95 0.38 0.00 0.00 0.00 175.76 177.45 1wdm h ASP 132 N 1.11 0.00 0.00 0.00 -0.00 -0.17 -2.73 116.42 114.63 1wdm h ASP 132 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 1wdm h ASP 132 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 1wdm h ASP 132 CO 0.57 0.00 -1.60 -1.54 -0.00 0.00 0.00 179.24 176.67 1wdm n SER 133 N -2.74 0.49 -4.46 4.15 3.41 -1.26 -4.55 113.62 108.66 1wdm n SER 133 Ca -0.00 -0.35 -0.28 0.00 -0.26 0.00 0.00 58.87 57.98 1wdm n SER 133 Cb 0.19 1.62 0.23 0.00 -0.26 0.00 0.00 64.21 65.99 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 -3.26 0.05 -0.01 7.33 0.00 -1.03 -4.92 121.76 119.92 1wdm s ALA 134 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 1wdm s ALA 134 Cb 0.14 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1wdm s ALA 134 CO 0.85 -3.54 0.22 0.15 0.00 0.00 0.00 175.76 173.45 1wdm s LYS 135 N -4.75 0.56 -0.01 0.00 1.02 -1.26 -3.58 119.74 111.71 1wdm s LYS 135 Ca 0.67 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 56.37 1wdm s LYS 135 Cb -0.21 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1wdm s LYS 135 CO 0.61 -0.14 0.05 0.96 -0.92 0.00 0.00 175.35 175.91 1wdm s ILE 136 N -1.30 0.03 0.08 2.17 -4.36 -0.76 -1.42 121.20 115.64 1wdm s ILE 136 Ca -0.14 -0.23 -0.27 0.00 -0.26 0.00 0.00 60.65 59.75 1wdm s ILE 136 Cb -0.06 -0.16 0.09 0.00 1.25 0.00 0.00 42.46 43.58 1wdm s ILE 136 CO 0.03 -0.13 1.08 -0.83 0.24 0.00 0.00 174.94 175.33 1wdm s GLY 137 N -0.37 -0.31 -0.68 6.27 0.00 -1.07 -0.45 107.32 110.71 1wdm s GLY 137 Ca -0.04 0.38 0.05 0.00 0.00 0.00 0.00 44.72 45.11 1wdm s GLY 137 CO 0.00 0.06 0.50 1.04 0.00 0.00 0.00 173.10 174.71 1wdm n LEU 138 N -0.46 2.78 -1.97 0.66 4.77 -1.26 -1.82 117.00 119.70 1wdm n LEU 138 Ca -0.07 -5.16 -0.09 0.00 -0.03 0.00 0.00 56.01 50.66 1wdm n LEU 138 Cb 0.61 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1wdm n LEU 138 CO 0.13 1.79 1.38 -0.81 -1.33 0.00 0.00 177.39 178.55 1wdm n PRO 139 N 1.95 1.61 -0.02 3.23 -0.04 -1.24 -3.97 135.00 136.52 1wdm n PRO 139 Ca 0.21 -0.73 -0.19 0.00 -0.04 0.00 0.00 63.50 62.76 1wdm n PRO 139 Cb 0.37 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 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 2.98 0.15 -0.05 0.54 4.39 -1.86 -3.33 114.58 117.39 1wdm h GLU 140 Ca 0.14 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1wdm h GLU 140 Cb 1.26 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1wdm h GLU 140 CO 0.21 1.12 0.32 -0.39 -1.16 0.00 0.00 179.01 179.12 1wdm h VAL 141 N -0.64 0.06 0.00 3.13 -1.51 -1.02 0.26 116.25 116.53 1wdm h VAL 141 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1wdm h VAL 141 Cb 1.43 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1wdm h VAL 141 CO 0.03 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.66 1wdm n LYS 142 N -3.02 0.13 -0.14 5.19 4.01 -1.25 -2.31 118.16 120.76 1wdm n LYS 142 Ca -0.01 0.28 0.05 0.00 -0.51 0.00 0.00 58.31 58.12 1wdm n LYS 142 Cb 0.39 -1.71 0.13 0.00 -0.51 0.00 0.00 35.03 33.33 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 -1.94 2.74 0.00 -0.35 4.77 0.91 -4.77 117.00 118.36 1wdm n LEU 143 Ca 0.04 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 1wdm n LEU 143 Cb 0.27 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1wdm n LEU 143 CO 0.21 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1wdm n GLY 144 N 0.47 0.43 2.03 -0.72 0.00 -0.98 -4.55 105.19 101.88 1wdm n GLY 144 Ca 0.10 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.15 0.00 -4.24 -0.61 -5.35 -1.16 -4.55 119.36 100.30 1wdm n ILE 145 Ca 0.00 -1.36 -0.14 0.00 -0.27 0.00 0.00 62.75 60.99 1wdm n ILE 145 Cb 0.11 0.73 -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 1.27 -0.24 4.28 -0.85 -1.26 -0.54 117.35 116.85 1wdm s TYR 146 Ca 0.22 -1.24 -0.36 0.00 -0.52 0.00 0.00 57.07 55.17 1wdm s TYR 146 Cb 0.01 -0.70 -0.16 0.00 0.38 0.00 0.00 41.96 41.48 1wdm s TYR 146 CO 0.16 -0.45 1.12 -2.30 -1.52 0.00 0.00 175.55 172.56 1wdm n PRO 147 N -0.32 0.00 -0.02 -3.49 -0.02 -1.26 -4.88 135.00 125.01 1wdm n PRO 147 Ca -0.01 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.51 1wdm n PRO 147 Cb 0.65 -1.22 -0.12 0.00 -0.02 0.00 0.00 33.50 32.79 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 2.41 -0.72 2.87 -1.23 0.00 -1.26 -4.37 105.19 102.90 1wdm n GLY 148 Ca 0.22 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.17 2.41 -1.63 1.61 3.72 -1.26 -4.73 117.46 115.40 1wdm n PHE 149 Ca -0.08 -2.56 -0.19 0.00 -0.05 0.00 0.00 57.45 54.57 1wdm n PHE 149 Cb 0.56 -1.24 -0.07 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 0.85 1.57 0.08 1.37 0.00 -1.26 -4.83 105.19 102.97 1wdm n GLY 150 Ca 0.34 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.09 0.69 -0.02 0.00 -1.85 -1.81 103.07 99.99 1wdm h GLY 151 Ca -0.39 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1wdm h GLY 151 CO 0.55 -0.03 0.00 -1.30 0.00 0.00 0.00 176.54 175.76 1wdm n THR 152 N -4.94 0.00 -0.09 4.70 -2.24 -1.26 -2.14 114.28 108.31 1wdm n THR 152 Ca -0.08 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 1wdm n THR 152 Cb 0.22 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.84 1.00 0.01 2.28 0.31 -1.08 -4.68 118.33 115.33 1wdm n VAL 153 Ca 0.08 -0.29 -0.20 0.00 -0.01 0.00 0.00 64.34 63.93 1wdm n VAL 153 Cb 0.04 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.24 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 -0.49 0.23 -0.49 5.55 3.08 -1.26 -3.36 114.38 117.64 1wdm h ARG 154 Ca -0.45 -0.40 0.10 0.00 0.07 0.00 0.00 59.98 59.31 1wdm h ARG 154 Cb 1.46 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 31.56 1wdm h ARG 154 CO -0.23 1.19 -0.10 1.25 -1.07 0.00 0.00 179.97 181.01 1wdm h LEU 155 N -0.45 -0.41 -1.50 3.04 5.85 -1.66 -0.92 115.31 119.26 1wdm h LEU 155 Ca -0.20 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1wdm h LEU 155 Cb 1.60 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1wdm h LEU 155 CO 0.08 -0.15 0.20 -0.65 -0.34 0.00 0.00 178.44 177.58 1wdm h PRO 156 N 0.02 0.53 -0.00 5.25 0.11 -1.79 -0.46 132.00 135.67 1wdm h PRO 156 Ca 0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1wdm h PRO 156 Cb 0.37 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1wdm h PRO 156 CO -0.49 0.41 -0.09 0.54 -0.21 0.00 0.00 178.00 178.15 1wdm n ARG 157 N -4.42 0.10 -0.11 1.05 1.74 -0.55 -1.99 116.66 112.48 1wdm n ARG 157 Ca 0.03 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 1wdm n ARG 157 Cb 0.11 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 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 -1.44 1.81 -0.00 0.55 4.77 -0.46 -4.59 117.00 117.64 1wdm n LEU 158 Ca 0.08 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.47 1wdm n LEU 158 Cb 0.32 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1wdm n LEU 158 CO 0.28 0.21 -0.25 2.30 -1.33 0.00 0.00 177.39 178.59 1wdm n ILE 159 N -4.23 0.00 0.00 -0.08 -5.35 -0.27 -4.87 119.36 104.56 1wdm n ILE 159 Ca -0.36 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1wdm n ILE 159 Cb 0.71 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 1.43 2.82 0.35 3.28 0.00 -0.84 -4.65 105.19 107.57 1wdm n GLY 160 Ca 0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1wdm h VAL 161 Cb 0.00 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.65 1wdm h VAL 161 CO 0.00 0.00 0.51 0.44 0.02 0.00 0.00 177.57 178.54 1wdm h ASP 162 N -0.52 0.54 0.02 0.57 3.32 -1.92 -1.01 116.42 117.42 1wdm h ASP 162 Ca -0.00 0.14 -0.26 0.00 0.02 0.00 0.00 57.03 56.92 1wdm h ASP 162 Cb 0.54 0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.17 1wdm h ASP 162 CO -0.22 0.09 -1.02 0.78 -1.72 0.00 0.00 179.24 177.14 1wdm h ASN 163 N 0.53 0.89 -0.93 6.45 2.35 -1.74 -2.44 115.58 120.69 1wdm h ASN 163 Ca 0.59 -0.71 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1wdm h ASN 163 Cb 1.08 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 1wdm h ASN 163 CO -0.48 1.51 0.60 0.00 -1.65 0.00 0.00 177.43 177.41 1wdm h ALA 164 N 0.44 1.18 -0.39 -0.83 0.00 0.45 0.96 119.26 121.07 1wdm h ALA 164 Ca -0.12 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1wdm h ALA 164 Cb 1.67 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1wdm h ALA 164 CO 0.20 0.60 -0.38 0.28 0.00 0.00 0.00 179.25 179.95 1wdm h VAL 165 N 1.27 1.27 0.00 0.00 2.07 -1.27 -1.23 116.25 118.36 1wdm h VAL 165 Ca 0.34 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1wdm h VAL 165 Cb -0.12 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1wdm h VAL 165 CO -0.07 0.52 -0.26 -0.08 0.02 0.00 0.00 177.57 177.70 1wdm h GLU 166 N 0.77 0.00 0.17 1.57 4.81 -0.89 -0.33 114.58 120.68 1wdm h GLU 166 Ca 0.06 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.96 1wdm h GLU 166 Cb 0.98 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.37 1wdm h GLU 166 CO 0.10 0.26 -1.66 -1.49 -0.73 0.00 0.00 179.01 175.49 1wdm h TRP 167 N 0.00 0.66 0.02 0.92 4.06 -0.68 -3.33 115.95 117.60 1wdm h TRP 167 Ca -0.00 -0.48 -0.04 0.00 2.06 0.00 0.00 58.89 60.43 1wdm h TRP 167 Cb 0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1wdm h TRP 167 CO 0.00 1.57 -0.16 0.82 -3.56 0.00 0.00 178.44 177.11 1wdm h ILE 168 N 0.10 1.73 -0.06 1.49 2.04 -1.14 -2.12 117.51 119.54 1wdm h ILE 168 Ca -0.30 -2.38 0.02 0.00 1.00 0.00 0.00 64.86 63.20 1wdm h ILE 168 Cb 2.08 3.34 -0.00 0.00 -0.74 0.00 0.00 36.82 41.50 1wdm h ILE 168 CO 0.18 0.62 0.07 0.00 0.00 0.00 0.00 178.15 179.02 1wdm h ALA 169 N 0.00 1.67 0.00 1.87 0.00 -1.27 -2.64 119.26 118.89 1wdm h ALA 169 Ca -0.03 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1wdm h ALA 169 Cb 1.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1wdm h ALA 169 CO 0.02 -0.10 -2.23 -1.13 0.00 0.00 0.00 179.25 175.81 1wdm n SER 170 N -3.90 0.03 -0.24 0.00 3.41 -1.25 -4.88 113.62 106.79 1wdm n SER 170 Ca -0.01 0.01 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1wdm n SER 170 Cb 0.16 1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 65.40 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 1.58 0.32 3.73 5.00 0.00 -0.80 -4.92 105.19 110.10 1wdm n GLY 171 Ca -0.23 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.21 2.48 0.17 1.61 -2.85 -1.26 -3.71 119.74 113.97 1wdm s LYS 172 Ca 0.00 1.87 -0.22 0.00 -1.00 0.00 0.00 55.97 56.62 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 -1.60 0.72 -1.21 0.10 0.00 0.00 175.35 173.35 1wdm s GLU 173 N -3.60 4.37 -0.09 1.78 2.02 -1.26 -4.23 118.70 117.68 1wdm s GLU 173 Ca 0.78 0.96 0.01 0.00 0.02 0.00 0.00 54.97 56.74 1wdm s GLU 173 Cb -0.32 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1wdm s GLU 173 CO 0.40 0.51 -0.13 -0.80 0.02 0.00 0.00 175.26 175.27 1wdm s ASN 174 N -1.35 4.07 0.73 -0.19 0.01 0.41 -4.94 114.94 113.67 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 -0.20 -1.27 0.03 0.00 0.41 0.00 0.00 41.25 40.22 1wdm s ASN 174 CO 0.23 0.25 1.11 -0.13 -1.51 0.00 0.00 177.10 177.05 1wdm s ARG 175 N -0.16 2.67 0.17 -0.60 0.52 -1.26 -1.82 118.95 118.47 1wdm s ARG 175 Ca -0.00 0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 55.50 1wdm s ARG 175 Cb -0.13 -2.00 0.14 0.00 0.52 0.00 0.00 34.95 33.48 1wdm s ARG 175 CO 0.03 -1.17 1.70 0.00 0.02 0.00 0.00 175.30 175.89 1wdm h ALA 176 N -0.75 0.44 -0.12 2.13 0.00 -1.80 0.04 119.26 119.20 1wdm h ALA 176 Ca -0.45 0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1wdm h ALA 176 Cb 1.26 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1wdm h ALA 176 CO 0.64 -0.36 -0.31 1.49 0.00 0.00 0.00 179.25 180.70 1wdm h GLU 177 N 0.15 -0.38 0.00 0.00 4.81 -1.93 -1.68 114.58 115.54 1wdm h GLU 177 Ca 0.22 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1wdm h GLU 177 Cb 0.30 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1wdm h GLU 177 CO -0.33 -0.25 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.25 1wdm h ASP 178 N -0.40 0.00 -0.01 1.04 3.32 -1.91 -2.97 116.42 115.49 1wdm h ASP 178 Ca 0.09 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1wdm h ASP 178 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1wdm h ASP 178 CO -0.34 0.00 -0.38 0.00 -1.72 0.00 0.00 179.24 176.80 1wdm h ALA 179 N 2.00 0.91 0.00 3.45 0.00 -0.08 -3.05 119.26 122.49 1wdm h ALA 179 Ca -0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 1wdm h ALA 179 Cb 0.74 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1wdm h ALA 179 CO 0.00 0.63 -1.32 1.25 0.00 0.00 0.00 179.25 179.81 1wdm h LEU 180 N 0.43 0.00 -1.98 0.00 6.46 -1.38 -0.16 115.31 118.67 1wdm h LEU 180 Ca 0.04 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1wdm h LEU 180 Cb 0.86 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1wdm h LEU 180 CO 0.07 1.00 -0.11 0.11 -0.62 0.00 0.00 178.44 178.89 1wdm h LYS 181 N 0.00 0.00 -0.15 1.25 1.57 -1.44 -1.60 116.57 116.20 1wdm h LYS 181 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1wdm h LYS 181 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1wdm h LYS 181 CO 0.11 0.11 0.00 1.33 -0.57 0.00 0.00 179.45 180.42 1wdm n VAL 182 N -3.79 0.27 -3.23 0.50 0.24 -1.16 -5.00 118.33 106.17 1wdm n VAL 182 Ca -0.02 -0.64 -0.18 0.00 -2.04 0.00 0.00 64.34 61.47 1wdm n VAL 182 Cb 0.21 1.11 0.05 0.00 -1.47 0.00 0.00 33.84 33.74 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 0.92 -5.22 0.05 -1.34 7.64 -0.60 -4.46 113.62 110.61 1wdm n SER 183 Ca 0.11 -0.37 -0.08 0.00 1.01 0.00 0.00 58.87 59.55 1wdm n SER 183 Cb 0.43 -3.86 -0.13 0.00 -1.01 0.00 0.00 64.21 59.64 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 0.76 0.42 -4.05 -0.43 0.00 -1.27 -3.42 119.26 111.25 1wdm h ALA 184 Ca -0.42 -1.02 -0.55 0.00 0.00 0.00 0.00 54.91 52.92 1wdm h ALA 184 Cb 1.27 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.75 1wdm h ALA 184 CO 0.42 1.30 -0.83 0.08 0.00 0.00 0.00 179.25 180.21 1wdm s VAL 185 N -2.68 1.37 0.13 0.00 1.01 -1.15 -4.91 120.40 114.17 1wdm s VAL 185 Ca -0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1wdm s VAL 185 Cb 0.09 -1.17 -0.18 0.00 0.00 0.00 0.00 36.38 35.13 1wdm s VAL 185 CO 0.83 0.39 1.31 0.44 0.00 0.00 0.00 175.10 178.07 1wdm h ASP 186 N 6.06 0.44 -4.32 3.32 3.32 -1.43 -3.40 116.42 120.41 1wdm h ASP 186 Ca -0.34 -0.37 -0.17 0.00 0.02 0.00 0.00 57.03 56.17 1wdm h ASP 186 Cb 1.16 -0.14 -0.24 0.00 0.22 0.00 0.00 39.33 40.34 1wdm h ASP 186 CO 0.48 1.18 -0.52 0.00 -1.72 0.00 0.00 179.24 178.66 1wdm s ALA 187 N -3.20 -0.36 -0.07 3.45 0.00 -1.01 -5.04 121.76 115.54 1wdm s ALA 187 Ca -0.05 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1wdm s ALA 187 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1wdm s ALA 187 CO 0.86 -0.13 -0.22 0.08 0.00 0.00 0.00 175.76 176.35 1wdm s VAL 188 N -0.57 2.36 0.00 0.00 1.01 -1.26 -1.05 120.40 120.89 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 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1wdm s VAL 188 CO 0.01 0.57 0.00 1.33 0.00 0.00 0.00 175.10 177.00 1wdm n VAL 189 N 2.96 0.00 -3.57 2.92 0.24 -0.74 -4.96 118.33 115.18 1wdm n VAL 189 Ca -0.18 0.00 -0.20 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 -1.92 4.35 0.33 3.34 -4.23 -1.26 0.58 115.64 116.83 1wdm s THR 190 Ca 0.00 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1wdm s THR 190 Cb 0.00 -3.52 0.30 0.00 1.34 0.00 0.00 72.50 70.62 1wdm s THR 190 CO 0.00 -0.21 1.89 0.00 -0.54 0.00 0.00 174.62 175.77 1wdm h ALA 191 N 0.94 1.66 0.00 3.99 0.00 -1.95 -1.73 119.26 122.17 1wdm h ALA 191 Ca -0.47 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1wdm h ALA 191 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wdm h ALA 191 CO 0.55 0.15 -0.67 -0.44 0.00 0.00 0.00 179.25 178.84 1wdm h ASP 192 N 0.85 0.00 -0.34 0.00 3.32 -2.03 -3.28 116.42 114.95 1wdm h ASP 192 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1wdm h ASP 192 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1wdm h ASP 192 CO -0.18 0.67 0.00 0.29 -1.72 0.00 0.00 179.24 178.30 1wdm n LYS 193 N -3.40 3.22 0.10 3.56 4.76 -1.02 -4.63 118.16 120.74 1wdm n LYS 193 Ca 0.00 -2.77 -0.12 0.00 -2.87 0.00 0.00 58.31 52.55 1wdm n LYS 193 Cb 0.75 -1.81 -0.08 0.00 -1.84 0.00 0.00 35.03 32.04 1wdm n LYS 193 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wdm h LEU 194 N 2.26 -0.24 -1.22 -0.35 6.46 -1.39 -2.22 115.31 118.60 1wdm h LEU 194 Ca 0.00 -0.27 0.18 0.00 -0.12 0.00 0.00 57.88 57.67 1wdm h LEU 194 Cb 1.40 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 41.31 1wdm h LEU 194 CO 0.22 0.20 0.61 1.23 -0.62 0.00 0.00 178.44 180.08 1wdm h GLY 195 N -0.75 1.37 0.71 3.75 0.00 -1.82 -0.91 103.07 105.41 1wdm h GLY 195 Ca -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1wdm h GLY 195 CO 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.57 1wdm h ALA 196 N 1.62 -0.05 -0.74 3.60 0.00 -1.85 -2.02 119.26 119.81 1wdm h ALA 196 Ca 0.52 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.36 1wdm h ALA 196 Cb 0.94 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1wdm h ALA 196 CO -0.28 -0.38 0.41 0.00 0.00 0.00 0.00 179.25 179.00 1wdm h ALA 197 N 0.60 1.03 0.88 0.00 0.00 -0.59 0.07 119.26 121.25 1wdm h ALA 197 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wdm h ALA 197 Cb 0.32 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wdm h ALA 197 CO 0.01 0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.88 1wdm h ALA 198 N 1.41 -1.21 -0.86 0.00 0.00 -1.17 -1.15 119.26 116.29 1wdm h ALA 198 Ca 0.35 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1wdm h ALA 198 Cb 0.31 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1wdm h ALA 198 CO -0.23 -1.12 0.39 1.25 0.00 0.00 0.00 179.25 179.53 1wdm h LEU 199 N -1.29 0.38 0.45 0.00 7.12 -1.13 -1.37 115.31 119.47 1wdm h LEU 199 Ca -0.12 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1wdm h LEU 199 Cb 0.90 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1wdm h LEU 199 CO 0.20 0.08 -0.22 -0.78 -0.13 0.00 0.00 178.44 177.59 1wdm h ASP 200 N 0.47 -0.51 -0.57 1.25 1.82 -0.88 -2.83 116.42 115.17 1wdm h ASP 200 Ca 0.51 -0.03 0.11 0.00 -0.39 0.00 0.00 57.03 57.23 1wdm h ASP 200 Cb 0.87 0.13 -0.08 0.00 0.68 0.00 0.00 39.33 40.93 1wdm h ASP 200 CO -0.46 -0.29 0.10 0.25 -1.61 0.00 0.00 179.24 177.22 1wdm h LEU 201 N -0.70 -0.04 -0.13 2.28 6.46 -0.45 -2.14 115.31 120.59 1wdm h LEU 201 Ca -0.06 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1wdm h LEU 201 Cb 0.51 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.54 1wdm h LEU 201 CO 0.10 -0.01 -0.32 0.40 -0.62 0.00 0.00 178.44 177.99 1wdm h ILE 202 N 0.23 0.29 -0.85 4.05 1.08 -1.22 0.30 117.51 121.39 1wdm h ILE 202 Ca 0.30 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.94 1wdm h ILE 202 Cb 0.44 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 34.37 1wdm h ILE 202 CO -0.40 0.00 0.39 0.11 -0.69 0.00 0.00 178.15 177.56 1wdm h LYS 203 N -0.40 0.49 -0.15 2.37 1.57 -1.14 0.36 116.57 119.66 1wdm h LYS 203 Ca 0.09 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1wdm h LYS 203 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1wdm h LYS 203 CO -0.35 0.32 -0.34 0.00 -0.57 0.00 0.00 179.45 178.51 1wdm h ARG 204 N 0.50 0.31 -0.32 3.15 3.08 -0.84 0.25 114.38 120.52 1wdm h ARG 204 Ca 0.49 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 60.30 1wdm h ARG 204 Cb 0.81 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1wdm h ARG 204 CO -0.44 0.62 -0.25 0.00 -1.07 0.00 0.00 179.97 178.84 1wdm h ALA 205 N 1.37 0.46 -0.47 0.04 0.00 0.15 -1.12 119.26 119.70 1wdm h ALA 205 Ca 0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1wdm h ALA 205 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1wdm h ALA 205 CO 0.06 0.44 -0.05 0.82 0.00 0.00 0.00 179.25 180.52 1wdm h ILE 206 N 0.49 1.27 0.00 0.00 2.04 -0.17 -2.61 117.51 118.53 1wdm h ILE 206 Ca 0.06 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1wdm h ILE 206 Cb 0.81 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1wdm h ILE 206 CO 0.07 0.40 0.00 -1.54 0.00 0.00 0.00 178.15 177.07 1wdm n SER 207 N -4.30 0.08 0.00 1.72 3.41 0.86 -4.81 113.62 110.57 1wdm n SER 207 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1wdm n SER 207 Cb 0.35 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.87 1.36 0.38 5.00 0.00 -0.98 -4.93 105.19 105.15 1wdm n GLY 208 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 3.23 -0.49 -5.22 1.61 4.81 -1.43 -3.38 114.58 113.71 1wdm h GLU 209 Ca 0.00 0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.65 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 -0.33 -0.43 -0.51 -0.73 0.00 0.00 179.01 177.01 1wdm s LEU 210 N -10.36 4.15 -1.25 1.64 1.43 -1.04 -5.01 118.68 108.25 1wdm s LEU 210 Ca -0.16 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.98 1wdm s LEU 210 Cb 0.09 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1wdm s LEU 210 CO 0.64 0.06 1.82 -0.62 0.23 0.00 0.00 176.35 178.48 1wdm s ASP 211 N 0.88 6.07 0.45 2.29 -1.08 -1.26 -4.57 116.67 119.45 1wdm s ASP 211 Ca 0.10 -2.10 0.12 0.00 -0.52 0.00 0.00 52.55 50.15 1wdm s ASP 211 Cb -0.13 -2.58 1.03 0.00 -1.46 0.00 0.00 42.92 39.77 1wdm s ASP 211 CO 0.04 -1.99 2.06 0.10 0.52 0.00 0.00 175.17 175.91 1wdm h TYR 212 N 8.52 0.21 -0.25 -5.34 -0.00 -1.93 -1.61 116.97 116.57 1wdm h TYR 212 Ca 0.35 -0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.00 1wdm h TYR 212 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 37.55 1wdm h TYR 212 CO 1.33 0.19 -0.16 0.87 -0.00 0.00 0.00 178.16 180.39 1wdm h LYS 213 N 0.22 0.43 0.00 0.10 1.79 -1.96 -2.42 116.57 114.73 1wdm h LYS 213 Ca 0.06 -0.13 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 1wdm h LYS 213 Cb 0.08 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1wdm h LYS 213 CO -0.00 0.59 -0.54 0.00 -1.08 0.00 0.00 179.45 178.42 1wdm h ALA 214 N 1.43 0.66 0.00 3.86 0.00 -1.72 -2.94 119.26 120.56 1wdm h ALA 214 Ca 0.07 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1wdm h ALA 214 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wdm h ALA 214 CO 0.03 0.67 -0.64 -0.22 0.00 0.00 0.00 179.25 179.09 1wdm h LYS 215 N 0.00 0.00 0.24 0.00 3.64 -1.08 -3.30 116.57 116.07 1wdm h LYS 215 Ca -0.01 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 1wdm h LYS 215 Cb 1.39 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1wdm h LYS 215 CO 0.07 0.64 -1.42 -0.09 -2.27 0.00 0.00 179.45 176.38 1wdm h ARG 216 N 0.00 0.50 -0.97 1.90 2.43 -1.47 -3.38 114.38 113.39 1wdm h ARG 216 Ca -0.01 -0.85 0.19 0.00 -0.81 0.00 0.00 59.98 58.50 1wdm h ARG 216 Cb 1.40 0.32 -0.18 0.00 -0.42 0.00 0.00 29.97 31.09 1wdm h ARG 216 CO 0.08 1.41 -0.26 0.37 -1.51 0.00 0.00 179.97 180.06 1wdm h GLN 217 N 0.07 -0.00 -0.99 0.20 5.75 -1.59 -2.53 115.11 116.02 1wdm h GLN 217 Ca -0.25 0.00 0.36 0.00 -0.15 0.00 0.00 58.65 58.60 1wdm h GLN 217 Cb 2.10 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 30.47 1wdm h GLN 217 CO 0.25 -0.00 0.37 -1.35 -2.65 0.00 0.00 178.83 175.45 1wdm h PRO 218 N -0.00 0.04 -0.84 -2.39 0.11 -1.74 0.33 132.00 127.51 1wdm h PRO 218 Ca 0.45 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.46 1wdm h PRO 218 Cb 0.69 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.74 1wdm h PRO 218 CO -1.00 0.03 0.12 0.36 -0.21 0.00 0.00 178.00 177.30 1wdm n LYS 219 N -5.31 2.71 0.00 1.05 2.85 -0.95 -3.47 118.16 115.04 1wdm n LYS 219 Ca 0.32 -1.74 0.00 0.00 -1.05 0.00 0.00 58.31 55.84 1wdm n LYS 219 Cb 1.07 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 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 0.10 0.00 -4.69 -5.58 4.77 0.12 -4.56 117.00 107.15 1wdm n LEU 220 Ca 0.21 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1wdm n LEU 220 Cb 0.90 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.91 1wdm n LEU 220 CO 0.23 0.00 -0.21 -1.83 -1.33 0.00 0.00 177.39 174.26 1wdm s GLU 221 N -1.54 2.12 0.91 3.23 -1.05 -1.17 -2.96 118.70 118.24 1wdm s GLU 221 Ca 0.00 -1.95 -0.12 0.00 -0.15 0.00 0.00 54.97 52.76 1wdm s GLU 221 Cb 0.00 -1.85 0.09 0.00 -0.44 0.00 0.00 34.13 31.93 1wdm s GLU 221 CO 0.00 -0.09 0.85 0.36 0.95 0.00 0.00 175.26 177.33 1wdm n LYS 222 N -1.14 -0.30 -1.03 -4.83 2.85 -1.18 -4.79 118.16 107.75 1wdm n LYS 222 Ca -0.03 -0.03 -0.34 0.00 -1.05 0.00 0.00 58.31 56.87 1wdm n LYS 222 Cb 0.66 -2.17 0.12 0.00 -0.65 0.00 0.00 35.03 32.99 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 -2.88 2.40 0.11 -5.58 4.77 -1.19 -4.94 117.00 109.69 1wdm n LEU 223 Ca 0.10 0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 56.43 1wdm n LEU 223 Cb 0.52 -1.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.10 1wdm n LEU 223 CO 0.50 -2.52 -0.06 0.11 -1.33 0.00 0.00 177.39 174.08 1wdm h LYS 224 N -1.03 0.29 -6.41 3.23 1.57 -1.92 -3.47 116.57 108.82 1wdm h LYS 224 Ca -0.45 -0.49 -0.58 0.00 -1.87 0.00 0.00 60.65 57.26 1wdm h LYS 224 Cb 1.30 0.18 0.18 0.00 0.08 0.00 0.00 32.23 33.97 1wdm h LYS 224 CO 0.42 1.23 -0.59 1.28 -0.57 0.00 0.00 179.45 181.22 1wdm n LEU 225 N -3.54 -0.31 0.00 2.94 4.32 -1.26 -4.99 117.00 114.16 1wdm n LEU 225 Ca -0.09 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 1wdm n LEU 225 Cb 1.03 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1wdm n LEU 225 CO 0.54 -3.50 0.00 -3.20 -1.22 0.00 0.00 177.39 170.01 1wdm n ASN 226 N 0.87 -0.83 0.01 -1.43 2.85 -1.26 -4.82 115.26 110.66 1wdm n ASN 226 Ca 0.10 -0.24 -0.21 0.00 -0.11 0.00 0.00 54.58 54.12 1wdm n ASN 226 Cb 0.48 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.36 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 0.41 -0.21 5.20 0.00 -1.99 -3.13 119.26 117.53 1wdm h ALA 227 Ca 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 54.91 53.48 1wdm h ALA 227 Cb 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wdm h ALA 227 CO 0.00 1.29 -0.12 0.82 0.00 0.00 0.00 179.25 181.24 1wdm h ILE 228 N 0.08 1.31 -0.36 0.00 1.08 -2.00 -2.93 117.51 114.69 1wdm h ILE 228 Ca -0.41 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 62.83 1wdm h ILE 228 Cb 2.04 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 37.41 1wdm h ILE 228 CO 0.10 0.37 0.12 -0.33 -0.69 0.00 0.00 178.15 177.72 1wdm h GLU 229 N 0.16 0.51 0.64 2.37 4.39 -1.94 0.49 114.58 121.20 1wdm h GLU 229 Ca 0.05 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1wdm h GLU 229 Cb 0.62 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1wdm h GLU 229 CO 0.03 0.44 -0.31 1.96 -1.16 0.00 0.00 179.01 179.98 1wdm h GLN 230 N 0.50 -0.83 -0.80 2.33 4.20 -1.47 0.32 115.11 119.37 1wdm h GLN 230 Ca 0.12 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.06 1wdm h GLN 230 Cb 0.14 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 28.00 1wdm h GLN 230 CO -0.01 -0.55 0.28 1.98 -0.67 0.00 0.00 178.83 179.86 1wdm h MET 231 N -0.91 0.35 0.76 1.46 4.05 -1.36 0.76 114.93 120.03 1wdm h MET 231 Ca -0.09 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 1wdm h MET 231 Cb 0.66 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1wdm h MET 231 CO 0.14 0.23 -0.36 1.98 0.23 0.00 0.00 176.91 179.13 1wdm h MET 232 N 0.36 -0.98 -0.64 0.39 1.85 -0.75 -0.13 114.93 115.02 1wdm h MET 232 Ca 0.46 0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.60 1wdm h MET 232 Cb 0.80 0.22 -0.03 0.00 0.43 0.00 0.00 31.60 33.02 1wdm h MET 232 CO -0.49 -0.65 0.30 0.00 -0.40 0.00 0.00 176.91 175.66 1wdm h ALA 233 N -0.76 1.32 0.05 0.39 0.00 0.74 -3.03 119.26 117.97 1wdm h ALA 233 Ca -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wdm h ALA 233 Cb 0.78 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wdm h ALA 233 CO 0.17 0.52 -0.02 0.74 0.00 0.00 0.00 179.25 180.66 1wdm h PHE 234 N 0.90 -0.06 -0.66 0.00 0.05 0.56 -2.93 116.94 114.81 1wdm h PHE 234 Ca 0.22 -0.00 0.19 0.00 3.82 0.00 0.00 57.97 62.20 1wdm h PHE 234 Cb 0.11 0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.05 1wdm h PHE 234 CO 0.01 0.27 0.50 0.93 -0.18 0.00 0.00 178.31 179.84 1wdm h GLU 235 N -0.99 0.00 0.17 1.51 4.39 -1.11 0.17 114.58 118.71 1wdm h GLU 235 Ca -0.01 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1wdm h GLU 235 Cb 0.36 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1wdm h GLU 235 CO 0.01 0.00 -1.33 1.79 -1.16 0.00 0.00 179.01 178.32 1wdm h THR 236 N 0.00 1.32 -0.53 1.13 1.35 -1.65 -1.93 112.91 112.61 1wdm h THR 236 Ca 0.31 -2.66 -0.01 0.00 -0.55 0.00 0.00 66.41 63.51 1wdm h THR 236 Cb 1.31 2.86 -0.03 0.00 -1.73 0.00 0.00 68.15 70.57 1wdm h THR 236 CO -0.00 0.80 0.30 0.00 -0.25 0.00 0.00 175.52 176.37 1wdm h ALA 237 N 0.31 0.67 -0.13 6.62 0.00 -0.57 0.25 119.26 126.40 1wdm h ALA 237 Ca -0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1wdm h ALA 237 Cb 2.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1wdm h ALA 237 CO 0.25 0.17 0.04 0.87 0.00 0.00 0.00 179.25 180.58 1wdm h LYS 238 N 0.70 0.20 -0.94 0.00 1.57 -1.02 -0.32 116.57 116.77 1wdm h LYS 238 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1wdm h LYS 238 Cb 0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1wdm h LYS 238 CO -0.03 0.34 0.60 0.78 -0.57 0.00 0.00 179.45 180.56 1wdm h GLY 239 N 0.03 1.33 0.27 3.86 0.00 -1.00 -1.27 103.07 106.29 1wdm h GLY 239 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1wdm h GLY 239 CO -0.00 0.51 -0.13 -2.75 0.00 0.00 0.00 176.54 174.17 1wdm h PHE 240 N 1.28 -0.33 -0.51 5.60 3.57 -0.38 -2.54 116.94 123.62 1wdm h PHE 240 Ca 0.34 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.89 1wdm h PHE 240 Cb -0.11 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.65 1wdm h PHE 240 CO -0.00 -0.21 -0.53 0.28 -2.23 0.00 0.00 178.31 175.62 1wdm h VAL 241 N -0.59 0.02 -0.91 1.41 2.07 -1.08 -0.47 116.25 116.70 1wdm h VAL 241 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1wdm h VAL 241 Cb 0.28 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.00 1wdm h VAL 241 CO 0.06 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.24 1wdm h ALA 242 N 0.17 1.70 0.00 1.67 0.00 -1.36 0.66 119.26 122.10 1wdm h ALA 242 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wdm h ALA 242 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wdm h ALA 242 CO -0.65 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.08 1wdm n GLY 243 N -1.41 -0.80 0.00 0.00 0.00 -0.22 -2.55 105.19 100.21 1wdm n GLY 243 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.12 2.22 -0.02 1.61 7.27 0.09 -4.82 117.38 122.61 1wdm n GLN 244 Ca 0.14 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.05 1wdm n GLN 244 Cb 0.11 -0.85 -0.11 0.00 2.41 0.00 0.00 30.24 31.80 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 0.04 0.00 1.69 0.00 0.16 -3.51 119.26 117.64 1wdm h ALA 245 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wdm h ALA 245 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wdm h ALA 245 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1wdm n GLY 246 N 1.04 2.66 0.29 0.00 0.00 -1.06 -4.67 105.19 103.45 1wdm n GLY 246 Ca -0.10 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.91 132.00 128.83 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 0.05 0.00 -0.91 -0.21 0.00 0.00 178.00 176.93 1wdm h ASN 248 N 0.00 0.00 -3.67 -2.05 2.35 -1.94 -3.40 115.58 106.87 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 0.28 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.28 1wdm h ASN 248 CO 0.01 0.00 -0.59 -0.31 -1.65 0.00 0.00 177.43 174.89 1wdm s TYR 249 N -3.30 3.60 0.10 1.19 1.51 -1.10 -4.93 117.35 114.42 1wdm s TYR 249 Ca 0.06 -2.68 -0.14 0.00 -1.01 0.00 0.00 57.07 53.30 1wdm s TYR 249 Cb 0.09 -3.11 -0.10 0.00 -0.11 0.00 0.00 41.96 38.74 1wdm s TYR 249 CO 0.53 -0.94 1.38 -1.35 -1.11 0.00 0.00 175.55 174.07 1wdm h PRO 250 N 7.71 0.74 -0.49 -1.71 0.11 -1.84 -3.38 132.00 133.14 1wdm h PRO 250 Ca -0.09 -0.45 0.04 0.00 0.11 0.00 0.00 66.00 65.62 1wdm h PRO 250 Cb 1.02 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 1wdm h PRO 250 CO 0.64 1.07 -0.29 0.00 -0.21 0.00 0.00 178.00 179.21 1wdm n ALA 251 N -2.53 -0.31 -0.19 -0.75 0.00 -1.26 -0.66 120.51 114.80 1wdm n ALA 251 Ca -0.05 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 1wdm n ALA 251 Cb 0.55 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.09 -0.48 0.00 0.11 -1.90 0.06 132.00 129.70 1wdm h PRO 252 Ca 0.08 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.22 1wdm h PRO 252 Cb 0.20 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 1wdm h PRO 252 CO -0.46 -0.06 0.27 0.28 -0.21 0.00 0.00 178.00 177.82 1wdm h VAL 253 N -0.10 1.01 -0.30 3.15 2.07 -1.68 -2.03 116.25 118.38 1wdm h VAL 253 Ca 0.08 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1wdm h VAL 253 Cb 0.30 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1wdm h VAL 253 CO -0.50 0.10 0.20 -0.33 0.02 0.00 0.00 177.57 177.06 1wdm h GLU 254 N 0.53 0.17 -0.87 1.57 4.39 -0.18 -0.04 114.58 120.15 1wdm h GLU 254 Ca 0.20 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1wdm h GLU 254 Cb 0.06 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1wdm h GLU 254 CO -0.11 0.11 0.48 0.00 -1.16 0.00 0.00 179.01 178.33 1wdm h ALA 255 N 1.84 1.11 -0.21 3.43 0.00 -0.25 -0.42 119.26 124.77 1wdm h ALA 255 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wdm h ALA 255 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wdm h ALA 255 CO -0.02 0.62 -0.06 0.82 0.00 0.00 0.00 179.25 180.61 1wdm h ILE 256 N 1.21 1.29 -0.70 0.00 2.04 -0.94 -2.59 117.51 117.82 1wdm h ILE 256 Ca 0.31 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1wdm h ILE 256 Cb 0.03 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1wdm h ILE 256 CO -0.05 0.33 0.43 0.11 0.00 0.00 0.00 178.15 178.96 1wdm h LYS 257 N 0.13 0.94 -0.74 2.37 1.57 -1.07 0.40 116.57 120.18 1wdm h LYS 257 Ca 0.05 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1wdm h LYS 257 Cb 0.53 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1wdm h LYS 257 CO 0.02 0.66 0.33 1.15 -0.57 0.00 0.00 179.45 181.04 1wdm h THR 258 N 0.96 1.24 0.08 -0.16 2.02 -0.94 0.08 112.91 116.19 1wdm h THR 258 Ca 0.25 -0.71 -0.27 0.00 0.77 0.00 0.00 66.41 66.45 1wdm h THR 258 Cb -0.05 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1wdm h THR 258 CO -0.05 0.30 -1.13 0.40 0.37 0.00 0.00 175.52 175.40 1wdm h ILE 259 N 1.06 1.37 -0.44 3.11 2.04 -0.90 -2.93 117.51 120.82 1wdm h ILE 259 Ca 0.25 -2.58 -0.05 0.00 1.00 0.00 0.00 64.86 63.49 1wdm h ILE 259 Cb 0.15 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1wdm h ILE 259 CO -0.03 0.77 0.08 -0.61 0.00 0.00 0.00 178.15 178.36 1wdm h GLN 260 N 0.22 0.67 0.31 2.37 4.15 0.08 -3.18 115.11 119.74 1wdm h GLN 260 Ca -0.14 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 1wdm h GLN 260 Cb 1.80 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.39 1wdm h GLN 260 CO 0.20 0.63 -0.15 0.87 -1.93 0.00 0.00 178.83 178.46 1wdm h LYS 261 N 0.65 -0.41 -2.19 1.69 1.57 -1.03 -3.28 116.57 113.58 1wdm h LYS 261 Ca 0.14 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1wdm h LYS 261 Cb 0.29 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1wdm h LYS 261 CO 0.00 -0.26 -0.19 0.00 -0.57 0.00 0.00 179.45 178.43 1wdm n ALA 262 N -2.74 5.15 1.18 3.86 0.00 -1.11 -4.11 120.51 122.74 1wdm n ALA 262 Ca -0.05 -1.34 0.13 0.00 0.00 0.00 0.00 53.44 52.17 1wdm n ALA 262 Cb 0.17 -2.22 0.31 0.00 0.00 0.00 0.00 19.45 17.72 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 2.52 3.23 -0.97 0.00 0.00 -1.20 -4.02 120.51 120.07 1wdm n ALA 263 Ca 0.32 -0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1wdm n ALA 263 Cb 0.71 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.74 0.73 -4.90 0.00 3.02 -1.26 -3.15 115.26 108.96 1wdm n ASN 264 Ca 0.11 -1.66 -0.20 0.00 -0.03 0.00 0.00 54.58 52.79 1wdm n ASN 264 Cb 0.36 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.55 2.86 0.00 3.10 2.99 -1.26 -4.68 117.98 120.45 1wdm s PHE 265 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 56.93 56.60 1wdm s PHE 265 Cb 0.03 -2.03 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 0.09 0.00 4.36 0.00 -1.26 -3.13 105.19 103.72 1wdm n GLY 266 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1wdm n GLY 266 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wdm n ARG 267 N -0.47 0.00 -0.33 1.61 0.63 -1.16 -1.95 116.66 115.00 1wdm n ARG 267 Ca 0.00 0.53 -0.10 0.00 -0.92 0.00 0.00 57.85 57.37 1wdm n ARG 267 Cb 0.00 -1.48 -0.08 0.00 0.45 0.00 0.00 32.46 31.35 1wdm n ARG 267 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1wdm h ASP 268 N 0.00 -1.81 -0.86 6.15 3.32 -1.95 0.26 116.42 121.53 1wdm h ASP 268 Ca 0.00 0.27 0.06 0.00 0.02 0.00 0.00 57.03 57.38 1wdm h ASP 268 Cb 0.00 0.80 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 1wdm h ASP 268 CO 0.00 -0.21 0.56 0.11 -1.72 0.00 0.00 179.24 177.98 1wdm h LYS 269 N -0.04 0.94 -0.62 3.56 1.57 -1.95 -0.67 116.57 119.36 1wdm h LYS 269 Ca 0.13 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1wdm h LYS 269 Cb 0.37 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1wdm h LYS 269 CO -0.77 0.62 0.19 0.00 -0.57 0.00 0.00 179.45 178.93 1wdm h ALA 270 N 1.53 1.17 -0.83 3.86 0.00 -0.16 -2.26 119.26 122.57 1wdm h ALA 270 Ca 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1wdm h ALA 270 Cb 0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1wdm h ALA 270 CO -0.13 0.58 0.43 -0.07 0.00 0.00 0.00 179.25 180.06 1wdm h LEU 271 N 0.92 1.06 -0.11 0.00 3.38 0.91 -2.45 115.31 119.00 1wdm h LEU 271 Ca 0.21 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1wdm h LEU 271 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1wdm h LEU 271 CO -0.01 0.87 -0.03 -0.33 0.09 0.00 0.00 178.44 179.03 1wdm h GLU 272 N 1.16 -0.01 -0.13 1.13 5.08 -0.80 0.08 114.58 121.09 1wdm h GLU 272 Ca 0.29 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1wdm h GLU 272 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1wdm h GLU 272 CO -0.04 -0.01 0.11 0.28 -1.00 0.00 0.00 179.01 178.35 1wdm h VAL 273 N -0.01 0.73 0.48 3.13 2.07 -1.24 0.15 116.25 121.57 1wdm h VAL 273 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1wdm h VAL 273 Cb 0.09 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1wdm h VAL 273 CO -0.12 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 177.16 1wdm h GLU 274 N 0.00 -0.63 -0.17 1.57 4.81 -0.56 -3.20 114.58 116.41 1wdm h GLU 274 Ca 0.06 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1wdm h GLU 274 Cb 0.28 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1wdm h GLU 274 CO -0.00 -0.37 -0.01 0.00 -0.73 0.00 0.00 179.01 177.90 1wdm h ALA 275 N -1.04 1.68 -0.33 2.92 0.00 -0.85 -1.56 119.26 120.08 1wdm h ALA 275 Ca -0.07 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1wdm h ALA 275 Cb 0.54 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1wdm h ALA 275 CO 0.11 0.24 -0.31 0.00 0.00 0.00 0.00 179.25 179.29 1wdm h ALA 276 N 1.76 -0.20 0.16 0.00 0.00 -0.74 0.14 119.26 120.39 1wdm h ALA 276 Ca 0.06 0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 1wdm h ALA 276 Cb 0.18 0.65 0.03 0.00 0.00 0.00 0.00 17.79 18.65 1wdm h ALA 276 CO 0.00 -0.72 -1.27 0.78 0.00 0.00 0.00 179.25 178.04 1wdm h GLY 277 N -0.27 0.66 0.15 0.00 0.00 -1.51 -3.21 103.07 98.89 1wdm h GLY 277 Ca 0.15 -1.46 0.16 0.00 0.00 0.00 0.00 47.33 46.18 1wdm h GLY 277 CO -0.48 1.28 0.42 -2.75 0.00 0.00 0.00 176.54 175.01 1wdm h PHE 278 N 0.19 0.73 -0.45 5.60 3.57 -0.94 0.14 116.94 125.78 1wdm h PHE 278 Ca -0.20 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 1wdm h PHE 278 Cb 1.96 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 1wdm h PHE 278 CO 0.13 0.14 0.20 0.00 -2.23 0.00 0.00 178.31 176.55 1wdm h ALA 279 N 1.58 0.58 0.10 2.41 0.00 -0.81 -2.01 119.26 121.12 1wdm h ALA 279 Ca 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wdm h ALA 279 Cb 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wdm h ALA 279 CO -0.39 0.16 -0.05 -0.22 0.00 0.00 0.00 179.25 178.75 1wdm h LYS 280 N 0.59 -0.13 -0.49 0.00 3.64 -0.95 -3.17 116.57 116.05 1wdm h LYS 280 Ca 0.15 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1wdm h LYS 280 Cb 0.15 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1wdm h LYS 280 CO -0.02 -0.02 0.25 -0.07 -2.27 0.00 0.00 179.45 177.32 1wdm h LEU 281 N -0.21 0.36 -1.99 5.20 3.38 -0.76 -1.65 115.31 119.64 1wdm h LEU 281 Ca -0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1wdm h LEU 281 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wdm h LEU 281 CO 0.02 0.25 0.39 0.00 0.09 0.00 0.00 178.44 179.19 1wdm h ALA 282 N 1.26 1.76 0.00 1.53 0.00 -1.34 0.11 119.26 122.58 1wdm h ALA 282 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wdm h ALA 282 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wdm h ALA 282 CO -0.15 -0.50 -1.21 0.36 0.00 0.00 0.00 179.25 177.76 1wdm n LYS 283 N -3.35 0.37 -1.42 0.00 0.00 -0.64 -4.58 118.16 108.55 1wdm n LYS 283 Ca 0.03 -0.03 -0.35 0.00 -0.00 0.00 0.00 58.31 57.97 1wdm n LYS 283 Cb 0.50 -1.60 0.10 0.00 -0.00 0.00 0.00 35.03 34.03 1wdm n LYS 283 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wdm s THR 284 N -3.26 2.14 0.19 0.58 -4.23 0.37 -4.89 115.64 106.53 1wdm s THR 284 Ca 0.01 0.07 0.35 0.00 -1.18 0.00 0.00 61.69 60.94 1wdm s THR 284 Cb 0.14 -2.71 0.39 0.00 1.34 0.00 0.00 72.50 71.67 1wdm s THR 284 CO 0.83 -0.03 2.04 -1.28 -0.54 0.00 0.00 174.62 175.63 1wdm h SER 285 N -0.25 0.00 -0.02 3.99 0.87 -1.93 -3.01 113.55 113.19 1wdm h SER 285 Ca -0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1wdm h SER 285 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1wdm h SER 285 CO 0.49 0.01 -0.05 0.00 -0.53 0.00 0.00 176.83 176.76 1wdm h ALA 286 N 1.99 0.04 -0.89 6.23 0.00 -1.90 -3.19 119.26 121.53 1wdm h ALA 286 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wdm h ALA 286 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wdm h ALA 286 CO 0.00 -0.14 0.00 0.45 0.00 0.00 0.00 179.25 179.56 1wdm n SER 287 N -4.75 0.00 0.00 0.00 2.88 -1.14 -1.00 113.62 109.61 1wdm n SER 287 Ca -0.08 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1wdm n SER 287 Cb 0.32 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.88 0.00 -0.13 -3.46 2.04 -1.24 -0.73 115.26 109.86 1wdm n ASN 288 Ca 0.00 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 53.92 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 -0.33 0.73 -2.25 0.00 3.38 0.74 -1.15 115.31 116.43 1wdm h LEU 290 Ca -0.62 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 56.98 1wdm h LEU 290 Cb 1.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1wdm h LEU 290 CO -0.20 0.98 0.19 0.40 0.09 0.00 0.00 178.44 179.91 1wdm h ILE 291 N 0.47 0.46 -0.09 1.22 2.04 -1.13 0.58 117.51 121.07 1wdm h ILE 291 Ca 0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.75 1wdm h ILE 291 Cb 0.72 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1wdm h ILE 291 CO 0.05 0.00 -0.72 1.23 0.00 0.00 0.00 178.15 178.71 1wdm h GLY 292 N 0.00 0.49 0.95 5.37 0.00 -1.29 -1.74 103.07 106.85 1wdm h GLY 292 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1wdm h GLY 292 CO -0.00 0.61 0.16 1.41 0.00 0.00 0.00 176.54 178.71 1wdm h LEU 293 N 0.31 0.37 -0.57 3.11 3.38 0.58 -0.99 115.31 121.50 1wdm h LEU 293 Ca -0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wdm h LEU 293 Cb 1.30 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1wdm h LEU 293 CO 0.13 0.36 0.35 0.15 0.09 0.00 0.00 178.44 179.51 1wdm h PHE 294 N 0.35 0.74 -0.21 1.13 3.04 -1.26 0.52 116.94 121.25 1wdm h PHE 294 Ca 0.10 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1wdm h PHE 294 Cb 0.07 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1wdm h PHE 294 CO -0.03 0.50 0.14 -0.07 -2.02 0.00 0.00 178.31 176.84 1wdm h LEU 295 N 0.76 0.20 -0.11 0.59 3.38 -0.92 -0.48 115.31 118.73 1wdm h LEU 295 Ca 0.20 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1wdm h LEU 295 Cb -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wdm h LEU 295 CO -0.04 0.14 -0.42 0.78 0.09 0.00 0.00 178.44 179.00 1wdm h ASN 296 N 0.23 0.56 -0.50 -0.43 -0.26 -0.06 -3.15 115.58 111.98 1wdm h ASN 296 Ca 0.08 -0.62 0.09 0.00 -0.56 0.00 0.00 56.30 55.30 1wdm h ASN 296 Cb 0.06 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 37.07 1wdm h ASN 296 CO -0.02 1.08 0.03 -0.78 -1.06 0.00 0.00 177.43 176.68 1wdm h ASP 297 N 0.07 -0.16 -0.75 5.81 -0.00 0.57 -0.11 116.42 121.85 1wdm h ASP 297 Ca -0.02 0.11 0.16 0.00 -0.00 0.00 0.00 57.03 57.28 1wdm h ASP 297 Cb 1.05 0.19 -0.11 0.00 -0.00 0.00 0.00 39.33 40.46 1wdm h ASP 297 CO 0.09 -0.05 0.22 1.56 -0.00 0.00 0.00 179.24 181.06 1wdm h GLN 298 N 0.14 0.30 -0.47 0.28 1.08 -1.17 0.88 115.11 116.16 1wdm h GLN 298 Ca 0.25 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1wdm h GLN 298 Cb 0.37 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1wdm h GLN 298 CO -0.39 0.20 0.15 0.93 -0.95 0.00 0.00 178.83 178.77 1wdm h GLU 299 N 0.31 0.73 -0.87 1.46 5.08 -1.03 -1.05 114.58 119.22 1wdm h GLU 299 Ca 0.42 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 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 -0.49 0.69 0.57 -0.07 -1.00 0.00 0.00 179.01 178.71 1wdm h LEU 300 N 0.63 0.86 -0.21 1.33 3.38 0.26 0.59 115.31 122.14 1wdm h LEU 300 Ca 0.15 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1wdm h LEU 300 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1wdm h LEU 300 CO -0.01 0.55 -0.91 0.11 0.09 0.00 0.00 178.44 178.27 1wdm h LYS 301 N 0.97 0.05 -0.24 1.13 1.57 -0.86 -1.85 116.57 117.34 1wdm h LYS 301 Ca 0.37 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1wdm h LYS 301 Cb 0.22 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1wdm h LYS 301 CO -0.14 0.92 -0.41 0.87 -0.57 0.00 0.00 179.45 180.13 1wdm h LYS 302 N 0.02 0.58 -0.00 3.15 1.79 -0.20 -1.90 116.57 120.01 1wdm h LYS 302 Ca -0.02 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1wdm h LYS 302 Cb 1.59 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1wdm h LYS 302 CO 0.12 0.88 -0.11 1.63 -1.08 0.00 0.00 179.45 180.90 1wdm n LYS 303 N -4.03 0.55 -0.02 3.15 5.02 0.10 -3.67 118.16 119.26 1wdm n LYS 303 Ca -0.02 -0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 55.91 1wdm n LYS 303 Cb 0.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 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 3.50 0.12 -0.60 7.82 0.00 -0.56 -3.27 119.26 126.27 1wdm h ALA 304 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 54.91 54.03 1wdm h ALA 304 Cb 0.37 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1wdm h ALA 304 CO 0.00 0.61 0.40 0.87 0.00 0.00 0.00 179.25 181.13 1wdm h LYS 305 N -0.55 0.48 -0.01 0.00 1.57 -1.50 0.15 116.57 116.73 1wdm h LYS 305 Ca -0.24 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1wdm h LYS 305 Cb 1.54 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1wdm h LYS 305 CO 0.02 0.32 -0.36 0.28 -0.57 0.00 0.00 179.45 179.14 1wdm h VAL 306 N 0.50 1.26 0.03 0.50 2.07 -1.67 -2.92 116.25 116.02 1wdm h VAL 306 Ca 0.27 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1wdm h VAL 306 Cb 0.41 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1wdm h VAL 306 CO -0.08 0.36 -0.01 1.88 0.02 0.00 0.00 177.57 179.73 1wdm h TYR 307 N 0.02 -0.04 0.00 1.57 0.99 -0.78 -3.21 116.97 115.52 1wdm h TYR 307 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1wdm h TYR 307 Cb 0.64 0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.38 1wdm h TYR 307 CO 0.00 0.54 0.11 -0.44 -0.00 0.00 0.00 178.16 178.36 1wdm h ASP 308 N -0.64 0.00 -0.86 3.88 3.32 -1.19 -1.85 116.42 119.08 1wdm h ASP 308 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1wdm h ASP 308 Cb 0.59 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1wdm h ASP 308 CO 0.01 0.00 0.46 0.11 -1.72 0.00 0.00 179.24 178.09 1wdm h LYS 309 N 0.00 1.22 0.00 3.56 6.56 -1.52 -3.25 116.57 123.14 1wdm h LYS 309 Ca 0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1wdm h LYS 309 Cb 0.22 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1wdm h LYS 309 CO 0.00 0.90 0.00 0.44 -2.06 0.00 0.00 179.45 178.73 1wdm n ILE 310 N -4.32 0.38 -2.52 1.86 -5.35 -0.92 -5.02 119.36 103.46 1wdm n ILE 310 Ca 0.09 -0.68 -0.42 0.00 -0.27 0.00 0.00 62.75 61.47 1wdm n ILE 310 Cb 0.11 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 38.80 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 -0.38 3.38 -0.28 -1.28 0.00 -0.74 -4.82 121.76 117.64 1wdm s ALA 311 Ca 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 1wdm s ALA 311 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1wdm s ALA 311 CO 0.00 -0.53 0.78 0.15 0.00 0.00 0.00 175.76 176.16 1wdm s LYS 312 N 1.56 4.06 0.62 0.00 1.02 -1.26 -4.90 119.74 120.84 1wdm s LYS 312 Ca 0.55 0.71 -0.19 0.00 0.02 0.00 0.00 55.97 57.06 1wdm s LYS 312 Cb -0.25 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1wdm s LYS 312 CO 0.25 -0.59 1.26 -3.47 -0.92 0.00 0.00 175.35 171.89 1wdm n ASP 313 N 6.07 2.00 -4.46 2.83 -0.08 -1.26 -4.71 116.55 116.94 1wdm n ASP 313 Ca 0.04 0.86 -0.40 0.00 -1.51 0.00 0.00 54.79 53.77 1wdm n ASP 313 Cb 0.48 -1.54 -0.11 0.00 2.34 0.00 0.00 41.12 42.29 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 -1.38 4.93 -0.55 5.18 1.01 -1.26 -4.93 120.40 123.40 1wdm s VAL 314 Ca 0.80 -0.48 0.21 0.00 0.00 0.00 0.00 61.98 62.51 1wdm s VAL 314 Cb -0.39 -3.61 -0.27 0.00 0.00 0.00 0.00 36.38 32.11 1wdm s VAL 314 CO 0.43 -0.08 0.70 2.29 0.00 0.00 0.00 175.10 178.43 1wdm n LYS 315 N 5.06 0.38 -3.36 2.72 0.00 -1.26 -4.84 118.16 116.86 1wdm n LYS 315 Ca -0.13 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.31 57.97 1wdm n LYS 315 Cb 0.48 -1.49 -0.08 0.00 -0.00 0.00 0.00 35.03 33.94 1wdm n LYS 315 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1wdm s GLN 316 N -3.19 0.36 0.42 -1.58 2.00 -1.26 -4.41 119.66 111.99 1wdm s GLN 316 Ca 0.01 0.04 0.04 0.00 -2.00 0.00 0.00 55.36 53.45 1wdm s GLN 316 Cb 0.15 -0.52 0.00 0.00 0.80 0.00 0.00 33.01 33.45 1wdm s GLN 316 CO 0.87 -0.99 0.59 0.00 -0.50 0.00 0.00 175.29 175.26 1wdm s ALA 317 N 2.45 4.12 -0.15 1.58 0.00 -0.59 -0.19 121.76 128.98 1wdm s ALA 317 Ca 0.10 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1wdm s ALA 317 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.19 1wdm s ALA 317 CO -0.30 -0.29 0.37 0.00 0.00 0.00 0.00 175.76 175.54 1wdm s ALA 318 N -2.40 -0.91 -0.05 0.00 0.00 -0.57 -1.53 121.76 116.30 1wdm s ALA 318 Ca 0.50 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.85 1wdm s ALA 318 Cb -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1wdm s ALA 318 CO 0.34 -0.24 -0.19 0.54 0.00 0.00 0.00 175.76 176.22 1wdm s VAL 319 N 1.20 2.65 -0.34 0.00 0.11 0.29 0.40 120.40 124.70 1wdm s VAL 319 Ca -0.08 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 1wdm s VAL 319 Cb -0.08 -2.00 -0.01 0.00 -1.53 0.00 0.00 36.38 32.75 1wdm s VAL 319 CO -0.10 0.58 0.28 -0.76 -3.33 0.00 0.00 175.10 171.77 1wdm s LEU 320 N -0.57 4.52 0.00 2.54 1.43 -0.60 -1.64 118.68 124.36 1wdm s LEU 320 Ca 0.08 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1wdm s LEU 320 Cb -0.11 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1wdm s LEU 320 CO 0.01 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1wdm n GLY 321 N 5.06 -0.47 0.00 -3.19 0.00 0.29 -1.33 105.19 105.56 1wdm n GLY 321 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 1.92 0.00 0.00 4.61 0.00 -1.25 -3.55 120.51 122.24 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 0.24 0.00 0.00 0.00 -1.25 -3.61 105.19 105.58 1wdm n GLY 323 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.07 -0.61 5.41 -1.26 0.03 119.36 122.86 1wdm n ILE 324 Ca 0.00 1.07 -0.09 0.00 1.00 0.00 0.00 62.75 64.73 1wdm n ILE 324 Cb 0.00 -1.72 0.06 0.00 -0.71 0.00 0.00 39.64 37.28 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 0.75 0.40 0.38 2.86 -1.91 -3.06 114.93 114.36 1wdm h MET 325 Ca 0.00 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 1wdm h MET 325 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1wdm h MET 325 CO 0.00 0.97 -0.27 0.78 1.06 0.00 0.00 176.91 179.46 1wdm h GLY 326 N 0.95 -0.68 1.69 8.32 0.00 -1.60 -0.11 103.07 111.64 1wdm h GLY 326 Ca 0.07 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.74 1wdm h GLY 326 CO 0.07 -0.26 0.11 -1.33 0.00 0.00 0.00 176.54 175.14 1wdm h GLY 327 N -0.65 0.00 0.37 4.60 0.00 -0.46 0.16 103.07 107.08 1wdm h GLY 327 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1wdm h GLY 327 CO 0.02 0.00 -0.13 -1.33 0.00 0.00 0.00 176.54 175.10 1wdm h GLY 328 N 0.00 -0.39 0.60 4.60 0.00 -1.31 0.83 103.07 107.41 1wdm h GLY 328 Ca 0.07 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.62 1wdm h GLY 328 CO -0.00 -0.14 0.43 -2.22 0.00 0.00 0.00 176.54 174.61 1wdm h ILE 329 N -1.01 0.94 -0.07 2.60 2.04 -0.82 0.22 117.51 121.41 1wdm h ILE 329 Ca -0.04 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1wdm h ILE 329 Cb 0.44 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1wdm h ILE 329 CO 0.06 0.14 0.04 0.00 0.00 0.00 0.00 178.15 178.39 1wdm h ALA 330 N 1.40 0.09 0.55 1.87 0.00 -1.03 -0.02 119.26 122.13 1wdm h ALA 330 Ca 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1wdm h ALA 330 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wdm h ALA 330 CO -0.21 -0.38 -0.48 -0.92 0.00 0.00 0.00 179.25 177.25 1wdm h TYR 331 N 0.04 -1.33 -0.10 0.00 3.20 0.13 -2.30 116.97 116.62 1wdm h TYR 331 Ca 0.03 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1wdm h TYR 331 Cb 0.06 0.51 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1wdm h TYR 331 CO -0.05 -0.67 -0.44 1.96 -1.64 0.00 0.00 178.16 177.32 1wdm h GLN 332 N -1.02 -0.51 -0.41 1.82 1.08 -0.51 0.31 115.11 115.87 1wdm h GLN 332 Ca -0.07 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1wdm h GLN 332 Cb 0.87 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 28.33 1wdm h GLN 332 CO -0.03 -0.34 -0.30 1.03 -0.95 0.00 0.00 178.83 178.25 1wdm h SER 333 N -0.53 -1.00 -0.48 1.46 0.87 -0.95 -1.40 113.55 111.52 1wdm h SER 333 Ca 0.06 0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 1wdm h SER 333 Cb 0.64 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1wdm h SER 333 CO -0.38 -0.30 -0.03 0.00 -0.53 0.00 0.00 176.83 175.59 1wdm h ALA 334 N 0.86 0.65 0.00 6.23 0.00 -1.10 -1.65 119.26 124.26 1wdm h ALA 334 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wdm h ALA 334 Cb 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wdm h ALA 334 CO -0.54 0.48 0.02 0.77 0.00 0.00 0.00 179.25 179.99 1wdm h SER 335 N 0.72 0.00 -0.33 0.00 0.02 0.41 -1.13 113.55 113.24 1wdm h SER 335 Ca 0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1wdm h SER 335 Cb 0.55 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.00 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 -2.70 2.06 -3.05 3.45 4.76 -0.60 -4.97 118.16 117.11 1wdm n LYS 336 Ca -0.02 -3.09 -0.13 0.00 -2.87 0.00 0.00 58.31 52.20 1wdm n LYS 336 Cb 0.08 -1.82 0.05 0.00 -1.84 0.00 0.00 35.03 31.50 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 2.72 0.72 0.00 -0.43 -4.89 105.19 102.29 1wdm n GLY 337 Ca 0.30 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.21 -0.33 0.50 2.61 2.01 -0.65 -5.01 115.64 111.56 1wdm s THR 338 Ca 0.20 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 1wdm s THR 338 Cb -0.09 -0.92 -0.10 0.00 0.01 0.00 0.00 72.50 71.40 1wdm s THR 338 CO 0.45 -0.46 0.63 -2.65 -0.69 0.00 0.00 174.62 171.91 1wdm n PRO 339 N 5.30 0.68 -3.69 4.92 -0.02 -1.26 -3.05 135.00 137.87 1wdm n PRO 339 Ca -0.03 0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1wdm n PRO 339 Cb 0.46 -1.72 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.57 0.00 0.00 4.25 2.07 -1.18 -1.55 121.20 123.23 1wdm s ILE 340 Ca 0.67 -0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.71 1wdm s ILE 340 Cb -0.51 -0.73 -0.06 0.00 0.13 0.00 0.00 42.46 41.29 1wdm s ILE 340 CO 0.55 -0.02 0.48 -0.76 -1.91 0.00 0.00 174.94 173.28 1wdm s LEU 341 N 0.09 4.46 -0.81 8.50 1.43 -0.58 -2.10 118.68 129.67 1wdm s LEU 341 Ca -0.01 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1wdm s LEU 341 Cb -0.04 -2.71 0.20 0.00 0.03 0.00 0.00 46.19 43.68 1wdm s LEU 341 CO 0.01 0.25 0.68 -0.32 0.23 0.00 0.00 176.35 177.20 1wdm s MET 342 N -0.78 3.07 0.41 1.70 1.75 -0.49 -0.55 119.30 124.40 1wdm s MET 342 Ca 0.26 -3.05 -0.21 0.00 -1.25 0.00 0.00 55.69 51.45 1wdm s MET 342 Cb -0.17 -3.90 -0.11 0.00 2.84 0.00 0.00 34.83 33.49 1wdm s MET 342 CO 0.15 -1.24 0.92 0.21 -0.65 0.00 0.00 175.02 174.41 1wdm s LYS 343 N -0.94 4.23 0.25 4.11 2.36 -0.65 -2.71 119.74 126.39 1wdm s LYS 343 Ca 0.24 1.08 -0.10 0.00 -2.55 0.00 0.00 55.97 54.64 1wdm s LYS 343 Cb -0.11 -2.27 0.04 0.00 -1.05 0.00 0.00 37.83 34.44 1wdm s LYS 343 CO -0.10 0.02 0.51 -3.47 1.55 0.00 0.00 175.35 173.87 1wdm n ASP 344 N -0.49 -1.45 -0.12 1.43 -0.08 -0.99 0.11 116.55 114.96 1wdm n ASP 344 Ca 0.06 -2.00 -0.17 0.00 -1.51 0.00 0.00 54.79 51.18 1wdm n ASP 344 Cb 0.54 2.42 -0.11 0.00 2.34 0.00 0.00 41.12 46.30 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 -0.35 1.40 -4.63 5.18 -5.35 -1.26 -4.43 119.36 109.92 1wdm n ILE 345 Ca -0.05 -0.54 -0.27 0.00 -0.27 0.00 0.00 62.75 61.62 1wdm n ILE 345 Cb 0.38 -1.36 -0.14 0.00 -1.74 0.00 0.00 39.64 36.78 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 -6.36 2.73 0.42 7.28 2.20 -1.26 -5.02 114.94 114.93 1wdm s ASN 346 Ca -0.33 -0.58 0.20 0.00 -0.94 0.00 0.00 52.86 51.21 1wdm s ASN 346 Cb 0.08 -0.22 1.14 0.00 -2.00 0.00 0.00 41.25 40.26 1wdm s ASN 346 CO 0.56 0.17 1.81 -0.08 -2.94 0.00 0.00 177.10 176.63 1wdm h GLU 347 N 4.64 0.35 -0.90 3.55 4.57 -1.98 0.28 114.58 125.08 1wdm h GLU 347 Ca -0.45 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1wdm h GLU 347 Cb 1.16 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.62 1wdm h GLU 347 CO 0.43 0.23 0.60 1.25 -1.18 0.00 0.00 179.01 180.34 1wdm h HIS 348 N 0.36 1.13 0.42 0.92 2.76 -1.98 -0.91 115.15 117.84 1wdm h HIS 348 Ca 0.53 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.72 1wdm h HIS 348 Cb 1.42 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 1wdm h HIS 348 CO -0.00 0.71 -0.36 0.78 -1.30 0.00 0.00 177.93 177.75 1wdm h GLY 349 N 1.22 -0.88 1.29 5.26 0.00 -1.35 -1.82 103.07 106.79 1wdm h GLY 349 Ca 0.33 0.41 0.05 0.00 0.00 0.00 0.00 47.33 48.13 1wdm h GLY 349 CO -0.08 -0.31 0.35 -2.22 0.00 0.00 0.00 176.54 174.29 1wdm h ILE 350 N -0.79 1.01 -0.86 2.60 2.04 -1.49 0.65 117.51 120.67 1wdm h ILE 350 Ca -0.04 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.72 1wdm h ILE 350 Cb 0.69 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1wdm h ILE 350 CO -0.03 0.10 0.56 -0.33 0.00 0.00 0.00 178.15 178.45 1wdm h GLU 351 N 0.52 0.89 0.08 2.37 4.39 -0.47 -0.66 114.58 121.70 1wdm h GLU 351 Ca 0.23 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1wdm h GLU 351 Cb 0.23 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1wdm h GLU 351 CO -0.06 0.59 -0.04 1.96 -1.16 0.00 0.00 179.01 180.30 1wdm h GLN 352 N 0.92 -0.11 0.60 2.33 1.08 -0.07 -2.25 115.11 117.61 1wdm h GLN 352 Ca 0.38 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.56 1wdm h GLN 352 Cb 0.28 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1wdm h GLN 352 CO -0.15 0.12 -0.49 0.78 -0.95 0.00 0.00 178.83 178.15 1wdm h GLY 353 N -0.33 -1.26 0.17 3.46 0.00 -1.07 -2.12 103.07 101.92 1wdm h GLY 353 Ca -0.01 0.56 0.26 0.00 0.00 0.00 0.00 47.33 48.14 1wdm h GLY 353 CO 0.02 -0.40 0.66 1.41 0.00 0.00 0.00 176.54 178.24 1wdm h LEU 354 N -1.07 0.00 0.68 3.11 3.38 -1.20 -1.91 115.31 118.31 1wdm h LEU 354 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1wdm h LEU 354 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1wdm h LEU 354 CO 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.20 1wdm h ALA 355 N 1.51 -0.91 -0.96 1.53 0.00 -0.75 -2.81 119.26 116.86 1wdm h ALA 355 Ca 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1wdm h ALA 355 Cb 1.75 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.84 1wdm h ALA 355 CO -0.00 -0.90 0.62 0.93 0.00 0.00 0.00 179.25 179.90 1wdm h GLU 356 N -1.14 1.27 -0.94 0.00 4.39 -1.15 -1.07 114.58 115.93 1wdm h GLU 356 Ca -0.09 -0.08 0.22 0.00 0.34 0.00 0.00 59.36 59.74 1wdm h GLU 356 Cb 0.73 -0.28 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 1wdm h GLU 356 CO 0.15 0.85 0.62 0.00 -1.16 0.00 0.00 179.01 179.47 1wdm h ALA 357 N 1.34 2.18 -0.35 3.43 0.00 -1.37 -2.42 119.26 122.07 1wdm h ALA 357 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wdm h ALA 357 Cb -0.13 -0.02 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 0.00 179.25 178.68 1wdm n ALA 358 N -2.50 -0.21 -0.18 0.00 0.00 -0.44 -2.77 120.51 114.42 1wdm n ALA 358 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.66 1wdm n ALA 358 Cb 0.73 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.82 -0.08 0.20 0.00 5.02 -0.97 0.76 118.16 121.27 1wdm n LYS 359 Ca 0.00 0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 56.95 1wdm n LYS 359 Cb 0.00 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.44 -0.84 -0.35 3.38 -1.56 0.20 115.31 115.69 1wdm h LEU 360 Ca 0.19 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.35 1wdm h LEU 360 Cb 0.31 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1wdm h LEU 360 CO -0.48 -0.30 0.39 -0.07 0.09 0.00 0.00 178.44 178.08 1wdm h LEU 361 N -0.56 0.42 0.94 1.67 3.38 -0.81 -0.05 115.31 120.30 1wdm h LEU 361 Ca -0.05 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1wdm h LEU 361 Cb 0.40 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wdm h LEU 361 CO 0.09 0.13 -0.49 0.58 0.09 0.00 0.00 178.44 178.83 1wdm h VAL 362 N 0.52 0.00 -0.98 1.22 2.07 0.38 -2.30 116.25 117.16 1wdm h VAL 362 Ca 0.48 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.23 1wdm h VAL 362 Cb 0.77 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1wdm h VAL 362 CO -0.42 0.00 0.64 1.23 0.02 0.00 0.00 177.57 179.04 1wdm h GLY 363 N -1.31 1.07 0.58 2.17 0.00 0.29 0.74 103.07 106.61 1wdm h GLY 363 Ca -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1wdm h GLY 363 CO 0.18 -0.06 -0.28 0.07 0.00 0.00 0.00 176.54 176.45 1wdm h ARG 364 N 0.42 -0.75 -0.64 4.80 0.11 -0.72 -2.74 114.38 114.85 1wdm h ARG 364 Ca 0.53 0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.66 1wdm h ARG 364 Cb 1.32 0.17 -0.03 0.00 1.11 0.00 0.00 29.97 32.54 1wdm h ARG 364 CO -0.24 -0.50 0.38 0.28 0.10 0.00 0.00 179.97 179.99 1wdm h VAL 365 N -0.83 1.18 0.00 0.08 2.07 -0.91 -0.97 116.25 116.88 1wdm h VAL 365 Ca -0.08 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wdm h VAL 365 Cb 0.60 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1wdm h VAL 365 CO 0.13 0.19 0.11 0.47 0.02 0.00 0.00 177.57 178.50 1wdm n ASP 366 N -4.40 0.40 -1.35 0.57 9.92 0.25 -0.02 116.55 121.91 1wdm n ASP 366 Ca 0.06 0.64 -0.03 0.00 -0.53 0.00 0.00 54.79 54.93 1wdm n ASP 366 Cb 0.07 -0.66 0.11 0.00 -0.64 0.00 0.00 41.12 40.01 1wdm n ASP 366 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wdm n LYS 367 N -2.05 1.86 -0.30 -1.24 5.02 -0.44 -4.97 118.16 116.04 1wdm n LYS 367 Ca -0.01 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 52.95 1wdm n LYS 367 Cb 0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1wdm n LYS 367 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wdm n GLY 368 N -0.68 0.00 0.26 0.72 0.00 0.97 -4.72 105.19 101.75 1wdm n GLY 368 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 1wdm n GLY 368 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wdm h ARG 369 N 0.00 0.00 -5.51 1.61 3.08 -1.56 -3.44 114.38 108.55 1wdm h ARG 369 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1wdm h ARG 369 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 1wdm h ARG 369 CO 0.00 0.06 -0.77 1.41 -1.07 0.00 0.00 179.97 179.59 1wdm s MET 370 N -3.64 0.98 -0.03 0.04 0.00 -1.12 -4.86 119.30 110.67 1wdm s MET 370 Ca 0.01 -1.15 -0.16 0.00 0.00 0.00 0.00 55.69 54.40 1wdm s MET 370 Cb 0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 34.83 33.91 1wdm s MET 370 CO 0.57 0.20 0.42 0.99 0.00 0.00 0.00 175.02 177.21 1wdm s THR 371 N -1.74 5.06 0.31 10.11 2.01 -1.26 -4.05 115.64 126.09 1wdm s THR 371 Ca 0.05 0.86 0.06 0.00 0.31 0.00 0.00 61.69 62.97 1wdm s THR 371 Cb -0.07 -3.74 0.31 0.00 0.01 0.00 0.00 72.50 69.01 1wdm s THR 371 CO 0.03 0.51 1.81 -0.65 -0.69 0.00 0.00 174.62 175.64 1wdm h PRO 372 N 5.24 0.78 -0.29 4.92 0.11 -1.98 0.11 132.00 140.89 1wdm h PRO 372 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1wdm h PRO 372 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1wdm h PRO 372 CO 0.65 0.51 0.14 0.00 -0.21 0.00 0.00 178.00 179.09 1wdm h ALA 373 N 1.60 0.38 -0.66 -0.75 0.00 -2.00 -1.37 119.26 116.46 1wdm h ALA 373 Ca 0.53 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.41 1wdm h ALA 373 Cb 0.78 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1wdm h ALA 373 CO -0.31 -0.06 0.35 1.57 0.00 0.00 0.00 179.25 180.80 1wdm h LYS 374 N 0.33 0.61 -0.02 0.00 2.10 -1.31 0.82 116.57 119.11 1wdm h LYS 374 Ca 0.10 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 1wdm h LYS 374 Cb 0.13 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1wdm h LYS 374 CO -0.01 0.41 -0.04 1.98 -2.00 0.00 0.00 179.45 179.78 1wdm h MET 375 N 0.63 0.03 -0.05 0.07 -1.53 -0.33 -1.91 114.93 111.85 1wdm h MET 375 Ca 0.30 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.55 1wdm h MET 375 Cb 0.23 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.27 1wdm h MET 375 CO -0.20 0.07 -0.00 0.00 0.14 0.00 0.00 176.91 176.92 1wdm h ALA 376 N 1.93 0.06 -1.01 0.39 0.00 0.24 -1.56 119.26 119.31 1wdm h ALA 376 Ca 0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1wdm h ALA 376 Cb 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1wdm h ALA 376 CO 0.01 -0.27 0.63 0.93 0.00 0.00 0.00 179.25 180.55 1wdm h GLU 377 N -0.22 0.97 0.63 0.00 5.08 -0.62 -0.58 114.58 119.84 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 0.33 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1wdm h GLU 377 CO 0.00 0.64 -0.30 0.28 -1.00 0.00 0.00 179.01 178.63 1wdm h VAL 378 N 1.00 0.00 -0.80 3.13 2.07 -1.23 -2.21 116.25 118.20 1wdm h VAL 378 Ca 0.50 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.85 1wdm h VAL 378 Cb 0.49 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1wdm h VAL 378 CO -0.26 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.67 1wdm h LEU 379 N -1.13 0.53 -1.76 2.57 3.38 -1.11 0.17 115.31 117.95 1wdm h LEU 379 Ca -0.09 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wdm h LEU 379 Cb 0.65 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wdm h LEU 379 CO 0.14 0.26 -0.07 0.78 0.09 0.00 0.00 178.44 179.65 1wdm h ASN 380 N 0.65 0.00 -0.33 -0.43 2.35 -1.16 -2.28 115.58 114.38 1wdm h ASN 380 Ca 0.41 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.00 1wdm h ASN 380 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1wdm h ASN 380 CO -0.31 0.07 -0.42 1.23 -1.65 0.00 0.00 177.43 176.34 1wdm h GLY 381 N 1.43 0.97 -4.96 2.83 0.00 -0.01 -3.42 103.07 99.92 1wdm h GLY 381 Ca -0.00 -1.02 -0.56 0.00 0.00 0.00 0.00 47.33 45.74 1wdm h GLY 381 CO 0.01 0.92 0.78 -0.42 0.00 0.00 0.00 176.54 177.83 1wdm s ILE 382 N -4.32 4.37 -0.28 2.60 1.01 -0.86 -3.10 121.20 120.62 1wdm s ILE 382 Ca -0.11 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.22 1wdm s ILE 382 Cb 0.11 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.59 1wdm s ILE 382 CO 0.88 -0.08 0.01 -0.13 0.00 0.00 0.00 174.94 175.62 1wdm s ARG 383 N 2.82 1.37 0.97 2.79 0.52 -0.89 -4.95 118.95 121.57 1wdm s ARG 383 Ca 0.53 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1wdm s ARG 383 Cb -0.22 -2.60 0.17 0.00 0.52 0.00 0.00 34.95 32.83 1wdm s ARG 383 CO 0.17 -0.78 1.11 -2.14 0.02 0.00 0.00 175.30 173.68 1wdm s PRO 384 N 1.32 0.61 0.00 3.54 0.02 -1.26 -1.40 135.00 137.84 1wdm s PRO 384 Ca 0.02 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1wdm s PRO 384 Cb -0.18 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1wdm s PRO 384 CO -0.11 -2.83 0.00 -2.37 -0.33 0.00 0.00 177.00 171.36 1wdm n THR 385 N -4.35 0.00 -0.39 0.99 5.66 -1.10 -4.75 114.28 110.35 1wdm n THR 385 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 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 0.47 0.00 1.09 4.77 -1.26 -2.33 117.00 119.74 1wdm n LEU 386 Ca 0.00 -0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 55.40 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 0.12 -0.05 -1.54 -1.33 0.00 0.00 177.39 174.59 1wdm n SER 387 N -0.08 2.04 -0.53 -1.43 3.41 -1.26 -4.79 113.62 110.98 1wdm n SER 387 Ca 0.00 -1.49 0.07 0.00 -0.26 0.00 0.00 58.87 57.18 1wdm n SER 387 Cb 0.10 0.11 0.19 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.27 0.00 0.02 7.33 4.02 -1.26 -4.79 117.16 122.22 1wdm n TYR 388 Ca -0.04 -1.39 -0.05 0.00 -0.01 0.00 0.00 57.90 56.41 1wdm n TYR 388 Cb 0.14 -0.23 0.15 0.00 -0.02 0.00 0.00 39.34 39.38 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 0.83 0.50 -0.70 2.72 0.00 -1.97 -3.17 103.07 101.28 1wdm h GLY 389 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1wdm h GLY 389 CO 0.00 0.44 -0.09 1.22 0.00 0.00 0.00 176.54 178.11 1wdm n ASP 390 N -4.04 1.79 0.00 0.19 8.00 -1.26 -4.13 116.55 117.10 1wdm n ASP 390 Ca -0.01 -1.49 0.08 0.00 0.71 0.00 0.00 54.79 54.07 1wdm n ASP 390 Cb 0.49 0.07 0.46 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.26 0.00 0.18 1.24 3.01 -1.20 -3.88 117.46 117.06 1wdm n PHE 391 Ca 0.16 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.79 1wdm n PHE 391 Cb 0.42 0.00 0.80 0.00 -0.01 0.00 0.00 39.48 40.69 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 3.15 0.00 -0.76 1.37 0.00 -1.72 -2.93 103.07 102.19 1wdm h GLY 392 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1wdm h GLY 392 CO 0.00 0.00 -0.33 1.16 0.00 0.00 0.00 176.54 177.37 1wdm n ASN 393 N -3.85 1.36 -4.71 0.19 2.04 -1.25 -4.55 115.26 104.48 1wdm n ASN 393 Ca 0.03 -2.73 -0.42 0.00 -0.44 0.00 0.00 54.58 51.02 1wdm n ASN 393 Cb 0.38 -0.35 -0.03 0.00 -2.53 0.00 0.00 39.78 37.25 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 -1.70 4.12 -0.01 3.53 1.01 -1.11 -4.68 120.40 121.57 1wdm s VAL 394 Ca 0.22 1.52 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 1wdm s VAL 394 Cb 0.21 -3.97 -0.33 0.00 0.00 0.00 0.00 36.38 32.29 1wdm s VAL 394 CO -0.01 0.11 0.84 0.44 0.00 0.00 0.00 175.10 176.48 1wdm h ASP 395 N 6.84 0.73 -3.66 3.32 3.32 -0.94 -3.42 116.42 122.61 1wdm h ASP 395 Ca -0.41 -0.91 -0.27 0.00 0.02 0.00 0.00 57.03 55.46 1wdm h ASP 395 Cb 1.21 -0.24 -0.30 0.00 0.22 0.00 0.00 39.33 40.22 1wdm h ASP 395 CO 0.81 1.74 -0.73 -0.22 -1.72 0.00 0.00 179.24 179.12 1wdm s LEU 396 N -7.44 1.63 -0.20 1.55 0.20 -1.23 -1.50 118.68 111.69 1wdm s LEU 396 Ca -0.12 -0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.70 1wdm s LEU 396 Cb 0.05 -0.07 0.02 0.00 -0.43 0.00 0.00 46.19 45.76 1wdm s LEU 396 CO 0.90 -0.04 -0.15 -0.69 -0.29 0.00 0.00 176.35 176.08 1wdm s VAL 397 N 0.42 2.41 -0.42 1.68 1.01 0.51 -1.51 120.40 124.50 1wdm s VAL 397 Ca -0.04 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1wdm s VAL 397 Cb -0.06 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1wdm s VAL 397 CO -0.01 0.42 0.32 -0.69 0.00 0.00 0.00 175.10 175.14 1wdm s VAL 398 N 1.31 5.23 -0.29 2.92 1.01 0.16 0.83 120.40 131.58 1wdm s VAL 398 Ca 0.03 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1wdm s VAL 398 Cb -0.14 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1wdm s VAL 398 CO -0.09 -0.37 1.01 -0.70 0.00 0.00 0.00 175.10 174.94 1wdm s GLU 399 N 1.67 4.10 -0.34 2.72 -6.30 -0.20 -1.55 118.70 118.79 1wdm s GLU 399 Ca 0.05 1.05 0.07 0.00 -2.50 0.00 0.00 54.97 53.64 1wdm s GLU 399 Cb -0.20 -3.71 0.45 0.00 0.00 0.00 0.00 34.13 30.67 1wdm s GLU 399 CO 0.09 -0.78 1.15 0.00 0.02 0.00 0.00 175.26 175.74 1wdm n ALA 400 N 6.58 4.89 -1.72 6.30 0.00 -0.44 -1.82 120.51 134.31 1wdm n ALA 400 Ca 0.10 -3.93 -0.20 0.00 0.00 0.00 0.00 53.44 49.42 1wdm n ALA 400 Cb 0.47 -0.44 0.20 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.60 0.00 -1.80 0.00 0.31 -1.20 -4.63 118.33 110.40 1wdm n VAL 401 Ca 0.40 -0.83 -0.38 0.00 -0.01 0.00 0.00 64.34 63.52 1wdm n VAL 401 Cb 0.84 -1.49 0.04 0.00 -0.91 0.00 0.00 33.84 32.33 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 -3.55 2.12 -1.00 2.52 1.01 -1.26 -4.84 120.40 115.40 1wdm s VAL 402 Ca 0.69 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.52 1wdm s VAL 402 Cb -0.03 -3.05 -0.16 0.00 0.00 0.00 0.00 36.38 33.15 1wdm s VAL 402 CO 0.49 -0.00 1.95 -0.62 0.00 0.00 0.00 175.10 176.92 1wdm n GLU 403 N -1.05 1.11 -3.45 2.72 -0.58 -1.26 -4.60 120.64 113.53 1wdm n GLU 403 Ca 0.11 -2.08 -0.16 0.00 -0.42 0.00 0.00 57.16 54.61 1wdm n GLU 403 Cb 0.45 -3.55 -0.11 0.00 -0.57 0.00 0.00 31.44 27.66 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 6.74 1.10 0.25 1.62 3.84 -1.26 -5.04 114.94 122.19 1wdm s ASN 404 Ca 0.70 -0.14 -0.08 0.00 0.21 0.00 0.00 52.86 53.55 1wdm s ASN 404 Cb 0.02 0.58 0.42 0.00 -0.55 0.00 0.00 41.25 41.72 1wdm s ASN 404 CO 0.16 -0.32 1.61 -0.65 -2.79 0.00 0.00 177.10 175.11 1wdm h PRO 405 N 8.28 0.05 0.48 0.43 0.11 -1.99 0.48 132.00 139.83 1wdm h PRO 405 Ca -0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1wdm h PRO 405 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1wdm h PRO 405 CO 0.28 0.03 -0.36 0.87 -0.21 0.00 0.00 178.00 178.62 1wdm h LYS 406 N 0.05 -0.79 0.36 1.05 6.56 -1.97 -1.84 116.57 119.98 1wdm h LYS 406 Ca 0.41 0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1wdm h LYS 406 Cb 0.71 0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 32.52 1wdm h LYS 406 CO -0.75 -0.53 -0.45 0.28 -2.06 0.00 0.00 179.45 175.94 1wdm h VAL 407 N -0.82 0.10 -0.80 0.50 2.07 -1.50 -2.64 116.25 113.17 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 0.69 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 1wdm h VAL 407 CO 0.01 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.12 1wdm h LYS 408 N -0.85 0.60 0.00 1.57 1.57 -1.01 0.84 116.57 119.30 1wdm h LYS 408 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1wdm h LYS 408 Cb 0.78 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1wdm h LYS 408 CO -0.12 0.40 -0.01 1.96 -0.57 0.00 0.00 179.45 181.12 1wdm h GLN 409 N 0.62 0.00 0.06 3.15 4.20 -1.05 0.29 115.11 122.38 1wdm h GLN 409 Ca 0.42 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.91 1wdm h GLN 409 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1wdm h GLN 409 CO -0.33 0.01 -1.14 0.00 -0.67 0.00 0.00 178.83 176.70 1wdm h ALA 410 N 1.99 0.18 0.76 3.87 0.00 -0.56 -3.14 119.26 122.37 1wdm h ALA 410 Ca -0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 1wdm h ALA 410 Cb 0.02 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wdm h ALA 410 CO 0.00 0.66 -0.48 0.28 0.00 0.00 0.00 179.25 179.71 1wdm h VAL 411 N -0.64 0.00 -0.92 0.00 2.07 -0.69 0.80 116.25 116.87 1wdm h VAL 411 Ca -0.27 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1wdm h VAL 411 Cb 1.49 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.16 1wdm h VAL 411 CO -0.04 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.99 1wdm h LEU 412 N -1.17 0.62 -1.13 2.57 3.38 -1.15 0.25 115.31 118.69 1wdm h LEU 412 Ca -0.10 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1wdm h LEU 412 Cb 0.94 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1wdm h LEU 412 CO 0.09 0.22 -0.26 0.00 0.09 0.00 0.00 178.44 178.59 1wdm h ALA 413 N 1.61 1.27 0.27 1.53 0.00 -1.43 -2.51 119.26 120.00 1wdm h ALA 413 Ca 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wdm h ALA 413 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wdm h ALA 413 CO -0.39 0.49 -0.13 1.49 0.00 0.00 0.00 179.25 180.71 1wdm h GLU 414 N 0.26 -0.35 -0.89 0.00 4.81 0.19 -3.29 114.58 115.30 1wdm h GLU 414 Ca 0.04 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.48 1wdm h GLU 414 Cb 0.60 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.00 1wdm h GLU 414 CO 0.04 -0.04 0.59 0.28 -0.73 0.00 0.00 179.01 179.15 1wdm h VAL 415 N -0.98 0.72 0.00 0.32 2.07 -0.95 0.27 116.25 117.71 1wdm h VAL 415 Ca -0.04 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1wdm h VAL 415 Cb 0.47 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1wdm h VAL 415 CO 0.06 0.09 0.07 -0.08 0.02 0.00 0.00 177.57 177.73 1wdm h GLU 416 N 0.48 0.00 -0.55 1.57 4.81 -1.51 0.15 114.58 119.52 1wdm h GLU 416 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1wdm h GLU 416 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1wdm h GLU 416 CO -0.19 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.18 1wdm n ASN 417 N -2.34 5.33 -0.41 1.04 3.02 0.08 -4.22 115.26 117.76 1wdm n ASN 417 Ca -0.02 -2.84 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1wdm n ASN 417 Cb 0.11 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.59 0.00 -4.19 3.10 8.25 0.51 -5.10 115.22 118.37 1wdm n HIS 418 Ca 0.27 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.60 1wdm n HIS 418 Cb 1.10 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 32.07 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 -0.04 0.06 0.68 1.59 -7.23 -1.21 -4.11 120.40 110.13 1wdm s VAL 419 Ca 0.00 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 1wdm s VAL 419 Cb 0.00 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1wdm s VAL 419 CO 0.00 -0.11 1.22 -0.13 -0.31 0.00 0.00 175.10 175.77 1wdm s ARG 420 N -4.13 2.47 0.00 4.82 0.52 -1.26 -4.88 118.95 116.49 1wdm s ARG 420 Ca 0.35 1.82 0.25 0.00 -0.52 0.00 0.00 55.73 57.63 1wdm s ARG 420 Cb 0.07 -1.87 1.41 0.00 0.52 0.00 0.00 34.95 35.08 1wdm s ARG 420 CO 0.10 -1.60 1.83 -0.85 0.02 0.00 0.00 175.30 174.80 1wdm n GLU 421 N -2.26 0.65 -0.22 3.54 0.28 -1.26 -1.95 120.64 119.43 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 0.19 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.08 2.97 -4.72 -1.84 5.75 -1.26 -4.99 116.55 111.37 1wdm n ASP 422 Ca 0.17 -3.03 -0.38 0.00 -0.01 0.00 0.00 54.79 51.54 1wdm n ASP 422 Cb 0.12 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 39.68 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 -2.81 3.49 0.14 2.12 0.00 -0.82 -5.04 121.76 118.84 1wdm s ALA 423 Ca 0.35 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1wdm s ALA 423 Cb 0.30 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.73 1wdm s ALA 423 CO 0.05 -0.01 0.96 0.42 0.00 0.00 0.00 175.76 177.19 1wdm s ILE 424 N 0.64 4.39 -0.17 0.00 1.09 -0.56 -4.91 121.20 121.67 1wdm s ILE 424 Ca 0.25 2.08 -0.01 0.00 -1.10 0.00 0.00 60.65 61.86 1wdm s ILE 424 Cb -0.15 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 36.92 1wdm s ILE 424 CO 0.09 0.36 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.43 1wdm s LEU 425 N -0.30 2.67 0.28 2.97 1.43 -1.01 -0.36 118.68 124.35 1wdm s LEU 425 Ca 0.45 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.22 1wdm s LEU 425 Cb -0.24 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1wdm s LEU 425 CO 0.30 0.06 0.07 0.00 0.23 0.00 0.00 176.35 177.01 1wdm s ALA 426 N 0.98 3.32 -0.13 4.21 0.00 0.24 -1.76 121.76 128.63 1wdm s ALA 426 Ca -0.01 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.27 1wdm s ALA 426 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.15 1wdm s ALA 426 CO -0.01 0.21 0.01 0.45 0.00 0.00 0.00 175.76 176.41 1wdm s SER 427 N -3.75 2.18 0.00 0.00 0.15 -1.11 -1.03 113.70 110.14 1wdm s SER 427 Ca 0.33 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wdm s SER 427 Cb -0.06 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1wdm s SER 427 CO 0.21 -0.24 0.60 -3.20 1.20 0.00 0.00 173.24 171.82 1wdm n ASN 428 N 5.09 0.46 -4.48 5.45 5.15 -0.75 -2.33 115.26 123.84 1wdm n ASN 428 Ca -0.08 -1.66 -0.35 0.00 -0.60 0.00 0.00 54.58 51.89 1wdm n ASN 428 Cb 0.49 -0.23 0.09 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 1.36 0.00 -0.44 5.66 -1.26 -4.65 114.28 114.77 1wdm n THR 429 Ca 0.00 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1wdm n THR 429 Cb 0.11 -0.77 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 -0.96 3.20 0.00 1.09 7.64 -1.26 -4.74 113.62 118.59 1wdm n SER 430 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wdm n SER 430 Cb 0.51 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.19 0.00 -4.09 0.44 -2.24 -1.26 -4.58 114.28 101.36 1wdm n THR 431 Ca 0.00 -0.45 -0.35 0.00 -2.27 0.00 0.00 64.05 60.98 1wdm n THR 431 Cb 0.15 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.67 4.86 0.06 2.28 1.01 -1.26 -4.94 121.20 122.53 1wdm s ILE 432 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 1wdm s ILE 432 Cb 0.00 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 1wdm s ILE 432 CO 0.00 0.56 1.55 -0.55 0.00 0.00 0.00 174.94 176.50 1wdm s SER 433 N -0.51 6.69 0.09 3.58 0.15 -1.26 -4.91 113.70 117.53 1wdm s SER 433 Ca 0.10 2.37 -0.20 0.00 0.70 0.00 0.00 55.95 58.92 1wdm s SER 433 Cb -0.12 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.53 1wdm s SER 433 CO 0.02 -0.81 1.59 0.40 1.20 0.00 0.00 173.24 175.64 1wdm h ILE 434 N 4.73 1.19 -0.17 6.45 5.03 -1.97 -1.19 117.51 131.59 1wdm h ILE 434 Ca -0.41 -0.60 0.05 0.00 -0.12 0.00 0.00 64.86 63.78 1wdm h ILE 434 Cb 1.20 1.21 -0.01 0.00 -3.03 0.00 0.00 36.82 36.19 1wdm h ILE 434 CO 0.92 0.19 0.24 0.28 -0.68 0.00 0.00 178.15 179.10 1wdm h SER 435 N 0.14 0.00 0.14 1.72 0.02 -1.94 0.17 113.55 113.81 1wdm h SER 435 Ca 0.06 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.78 1wdm h SER 435 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1wdm h SER 435 CO -0.00 0.00 -1.11 0.25 -1.14 0.00 0.00 176.83 174.83 1wdm h LEU 436 N 0.00 0.47 -1.45 5.07 6.46 -1.74 -3.30 115.31 120.82 1wdm h LEU 436 Ca 0.08 -0.91 -0.06 0.00 -0.12 0.00 0.00 57.88 56.87 1wdm h LEU 436 Cb 0.57 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1wdm h LEU 436 CO -0.00 1.51 -0.28 -0.07 -0.62 0.00 0.00 178.44 178.98 1wdm h LEU 437 N -0.30 0.00 -1.74 2.25 3.38 0.05 -2.75 115.31 116.21 1wdm h LEU 437 Ca -0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1wdm h LEU 437 Cb 1.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 1wdm h LEU 437 CO 0.13 0.28 -0.05 0.00 0.09 0.00 0.00 178.44 178.89 1wdm h ALA 438 N 1.72 1.04 0.00 1.53 0.00 -0.82 -2.74 119.26 120.00 1wdm h ALA 438 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wdm h ALA 438 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wdm h ALA 438 CO 0.04 0.06 0.00 1.57 0.00 0.00 0.00 179.25 180.92 1wdm h LYS 439 N 0.00 0.00 0.00 0.00 -0.00 -1.57 -2.93 116.57 112.07 1wdm h LYS 439 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1wdm h LYS 439 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.66 1wdm h LYS 439 CO 0.01 0.00 -0.49 0.00 -0.00 0.00 0.00 179.45 178.96 1wdm h ALA 440 N 2.27 0.76 -1.80 0.07 0.00 -1.65 -3.47 119.26 115.45 1wdm h ALA 440 Ca 0.00 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.39 1wdm h ALA 440 Cb 0.53 0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.47 1wdm h ALA 440 CO 0.00 0.08 0.34 -0.51 0.00 0.00 0.00 179.25 179.16 1wdm s LEU 441 N -5.87 2.79 -0.01 0.00 1.43 -1.11 -4.79 118.68 111.12 1wdm s LEU 441 Ca 0.03 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1wdm s LEU 441 Cb 0.07 -2.16 -0.14 0.00 0.03 0.00 0.00 46.19 44.00 1wdm s LEU 441 CO 0.73 -2.54 0.22 2.29 0.23 0.00 0.00 176.35 177.28 1wdm n LYS 442 N -3.54 0.71 -3.15 1.70 2.85 -1.26 -4.70 118.16 110.77 1wdm n LYS 442 Ca 0.16 -0.08 -0.23 0.00 -1.05 0.00 0.00 58.31 57.11 1wdm n LYS 442 Cb 0.60 -1.19 -0.05 0.00 -0.65 0.00 0.00 35.03 33.74 1wdm n LYS 442 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wdm n ARG 443 N -1.75 1.93 0.34 -1.58 1.74 -1.26 -4.93 116.66 111.14 1wdm n ARG 443 Ca -0.01 -4.06 0.19 0.00 -0.77 0.00 0.00 57.85 53.20 1wdm n ARG 443 Cb 0.23 -1.89 1.03 0.00 -1.02 0.00 0.00 32.46 30.82 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 3.36 0.00 -0.21 5.56 0.11 -1.84 -2.09 132.00 136.88 1wdm h PRO 444 Ca 0.12 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.29 1wdm h PRO 444 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1wdm h PRO 444 CO 0.65 0.00 0.16 0.93 -0.21 0.00 0.00 178.00 179.54 1wdm h GLU 445 N 0.00 0.00 -0.02 1.05 3.07 -1.92 -0.63 114.58 116.13 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 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1wdm h GLU 445 CO 0.00 0.00 -0.24 0.09 -1.40 0.00 0.00 179.01 177.46 1wdm n ASN 446 N -4.34 1.84 -4.66 1.42 3.02 -0.79 -1.93 115.26 109.81 1wdm n ASN 446 Ca 0.02 -1.43 -0.39 0.00 -0.03 0.00 0.00 54.58 52.76 1wdm n ASN 446 Cb 0.31 0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.31 3.37 0.35 3.10 5.36 -0.24 -2.41 117.98 125.20 1wdm s PHE 447 Ca 0.25 0.67 0.06 0.00 -0.96 0.00 0.00 56.93 56.96 1wdm s PHE 447 Cb 0.19 -2.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1wdm s PHE 447 CO 0.46 -0.05 0.23 0.14 -1.46 0.00 0.00 175.22 174.54 1wdm s VAL 448 N 1.47 0.16 -0.06 3.12 -7.23 -0.72 -4.33 120.40 112.80 1wdm s VAL 448 Ca 0.21 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1wdm s VAL 448 Cb -0.15 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1wdm s VAL 448 CO 0.09 0.00 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.96 1wdm s GLY 449 N -3.44 1.65 -0.43 2.32 0.00 0.12 -2.75 107.32 104.79 1wdm s GLY 449 Ca 0.35 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1wdm s GLY 449 CO 0.23 -0.68 0.25 -0.29 0.00 0.00 0.00 173.10 172.62 1wdm s MET 450 N -0.76 1.14 -0.34 2.90 0.00 -0.99 -0.85 119.30 120.40 1wdm s MET 450 Ca 0.12 -1.92 -0.23 0.00 0.00 0.00 0.00 55.69 53.66 1wdm s MET 450 Cb -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 34.83 32.66 1wdm s MET 450 CO 0.01 -1.20 0.75 -1.58 0.00 0.00 0.00 175.02 173.00 1wdm s HIS 451 N 0.41 3.15 0.20 4.11 2.46 0.20 -3.75 115.29 122.07 1wdm s HIS 451 Ca 0.19 0.61 0.05 0.00 0.47 0.00 0.00 55.06 56.38 1wdm s HIS 451 Cb -0.21 -3.27 -0.04 0.00 -0.13 0.00 0.00 32.58 28.94 1wdm s HIS 451 CO -0.02 -0.64 0.20 -0.06 -2.47 0.00 0.00 174.74 171.75 1wdm s PHE 452 N 2.95 3.22 -0.04 3.88 0.40 -1.26 -1.52 117.98 125.61 1wdm s PHE 452 Ca 0.30 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1wdm s PHE 452 Cb -0.14 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1wdm s PHE 452 CO 0.15 0.51 -0.07 -0.06 0.70 0.00 0.00 175.22 176.45 1wdm s PHE 453 N -1.90 2.92 -0.00 0.36 0.40 -1.26 -5.01 117.98 113.48 1wdm s PHE 453 Ca 0.32 -0.00 -0.30 0.00 -0.60 0.00 0.00 56.93 56.35 1wdm s PHE 453 Cb -0.09 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1wdm s PHE 453 CO 0.25 0.35 1.09 1.21 0.70 0.00 0.00 175.22 178.81 1wdm s ASN 454 N -1.04 7.21 0.28 1.36 3.84 -1.26 -2.28 114.94 123.05 1wdm s ASN 454 Ca 0.14 1.78 -0.27 0.00 0.21 0.00 0.00 52.86 54.72 1wdm s ASN 454 Cb -0.11 -2.57 -0.09 0.00 -0.55 0.00 0.00 41.25 37.93 1wdm s ASN 454 CO 0.04 -0.40 0.93 -2.84 -2.79 0.00 0.00 177.10 172.04 1wdm s PRO 455 N 1.33 4.69 0.53 0.43 0.02 -1.26 -4.89 135.00 135.84 1wdm s PRO 455 Ca 0.54 1.37 0.34 0.00 0.02 0.00 0.00 61.00 63.27 1wdm s PRO 455 Cb -0.24 -3.02 1.84 0.00 0.02 0.00 0.00 34.50 33.10 1wdm s PRO 455 CO 0.26 0.40 2.03 0.28 -0.33 0.00 0.00 177.00 179.64 1wdm h VAL 456 N 2.87 0.00 -0.55 3.83 2.07 -1.80 -1.47 116.25 121.20 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 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1wdm h VAL 456 CO 0.66 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.25 1wdm n HIS 457 N -2.73 1.33 0.00 1.57 1.44 -1.26 -4.47 115.22 111.10 1wdm n HIS 457 Ca -0.02 -0.65 0.00 0.00 -2.01 0.00 0.00 57.72 55.04 1wdm n HIS 457 Cb 0.10 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.96 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 0.77 1.59 -2.81 -1.40 2.00 -0.58 -5.05 117.12 111.65 1wdm n MET 458 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.52 1wdm n MET 458 Cb 0.86 -0.80 -0.03 0.00 0.00 0.00 0.00 33.22 33.25 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 -1.60 4.29 0.49 0.03 -1.94 -1.06 -4.95 119.30 114.56 1wdm s MET 459 Ca 0.00 1.14 0.28 0.00 -1.71 0.00 0.00 55.69 55.40 1wdm s MET 459 Cb 0.00 -3.59 0.98 0.00 2.01 0.00 0.00 34.83 34.23 1wdm s MET 459 CO 0.00 -0.42 1.84 -1.35 -0.01 0.00 0.00 175.02 175.08 1wdm h PRO 460 N 7.37 0.00 -6.48 2.03 0.11 -1.94 -3.46 132.00 129.64 1wdm h PRO 460 Ca -0.26 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.31 1wdm h PRO 460 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1wdm h PRO 460 CO 0.87 0.08 -0.09 -1.17 -0.21 0.00 0.00 178.00 177.49 1wdm s LEU 461 N -6.36 4.15 -0.33 2.35 2.96 -1.26 0.12 118.68 120.30 1wdm s LEU 461 Ca 0.02 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1wdm s LEU 461 Cb 0.08 -3.74 0.14 0.00 0.50 0.00 0.00 46.19 43.18 1wdm s LEU 461 CO 0.60 -0.10 0.31 -0.69 -1.32 0.00 0.00 176.35 175.16 1wdm s VAL 462 N -1.85 -0.28 -0.12 1.68 1.01 -1.21 -4.31 120.40 115.32 1wdm s VAL 462 Ca 0.48 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1wdm s VAL 462 Cb -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1wdm s VAL 462 CO 0.21 -0.61 1.66 -1.61 0.00 0.00 0.00 175.10 174.75 1wdm s GLU 463 N 1.76 4.01 -0.85 2.72 2.02 -0.58 -2.75 118.70 125.03 1wdm s GLU 463 Ca 0.14 2.00 -0.16 0.00 0.02 0.00 0.00 54.97 56.97 1wdm s GLU 463 Cb -0.16 -4.01 0.17 0.00 0.10 0.00 0.00 34.13 30.23 1wdm s GLU 463 CO -0.15 -1.04 0.92 0.08 0.02 0.00 0.00 175.26 175.08 1wdm s VAL 464 N 4.58 5.17 -0.27 2.63 1.01 -0.95 -0.63 120.40 131.94 1wdm s VAL 464 Ca 0.74 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1wdm s VAL 464 Cb -0.30 -4.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 1wdm s VAL 464 CO 0.29 -1.24 1.45 -0.63 0.00 0.00 0.00 175.10 174.97 1wdm s ILE 465 N 1.46 3.93 -0.58 2.22 1.09 -0.03 -1.34 121.20 127.95 1wdm s ILE 465 Ca 0.24 1.04 -0.22 0.00 -1.10 0.00 0.00 60.65 60.61 1wdm s ILE 465 Cb -0.09 -3.96 0.06 0.00 -1.06 0.00 0.00 42.46 37.41 1wdm s ILE 465 CO -0.08 -0.41 0.85 -0.60 -0.10 0.00 0.00 174.94 174.60 1wdm s ARG 466 N 4.45 3.19 1.09 2.79 3.52 -0.95 0.16 118.95 133.19 1wdm s ARG 466 Ca 0.63 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 55.43 1wdm s ARG 466 Cb -0.20 -4.13 0.24 0.00 -1.56 0.00 0.00 34.95 29.30 1wdm s ARG 466 CO 0.26 -1.52 1.06 0.20 -0.81 0.00 0.00 175.30 174.49 1wdm s GLY 467 N 3.12 1.57 0.55 8.12 0.00 -1.26 -2.71 107.32 116.70 1wdm s GLY 467 Ca 0.23 -0.13 0.22 0.00 0.00 0.00 0.00 44.72 45.04 1wdm s GLY 467 CO 0.14 0.53 2.18 1.05 0.00 0.00 0.00 173.10 177.00 1wdm h GLU 468 N -2.32 0.00 -0.03 2.90 4.11 -1.93 -2.00 114.58 115.31 1wdm h GLU 468 Ca -0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.85 1wdm h GLU 468 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wdm h GLU 468 CO 0.52 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.23 1wdm n LYS 469 N -4.24 1.64 -1.99 1.06 4.76 -1.26 -4.98 118.16 113.16 1wdm n LYS 469 Ca -0.02 -1.64 -0.42 0.00 -2.87 0.00 0.00 58.31 53.35 1wdm n LYS 469 Cb 0.12 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.56 6.66 0.53 4.39 0.01 -0.75 -3.85 113.70 119.11 1wdm s SER 470 Ca 0.22 2.34 -0.17 0.00 1.31 0.00 0.00 55.95 59.65 1wdm s SER 470 Cb 0.16 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1wdm s SER 470 CO 0.24 -0.89 1.02 -0.94 0.41 0.00 0.00 173.24 173.07 1wdm s SER 471 N 2.87 6.31 0.47 2.44 1.04 -0.81 -4.83 113.70 121.18 1wdm s SER 471 Ca 0.73 1.73 0.19 0.00 0.48 0.00 0.00 55.95 59.09 1wdm s SER 471 Cb -0.36 -2.53 1.19 0.00 0.10 0.00 0.00 66.02 64.42 1wdm s SER 471 CO 0.31 -0.80 1.97 0.44 0.98 0.00 0.00 173.24 176.13 1wdm h ASP 472 N 0.96 0.22 -0.03 7.02 3.45 -1.94 -0.55 116.42 125.56 1wdm h ASP 472 Ca -0.48 0.01 -0.18 0.00 0.43 0.00 0.00 57.03 56.81 1wdm h ASP 472 Cb 1.20 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 39.95 1wdm h ASP 472 CO 0.60 0.12 -0.70 0.25 -1.57 0.00 0.00 179.24 177.93 1wdm h LEU 473 N 0.24 0.66 -2.22 1.55 6.46 -1.92 -0.00 115.31 120.08 1wdm h LEU 473 Ca 0.30 -0.73 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 1wdm h LEU 473 Cb 0.84 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1wdm h LEU 473 CO -0.06 1.30 0.14 0.00 -0.62 0.00 0.00 178.44 179.20 1wdm h ALA 474 N 0.38 1.84 0.06 1.25 0.00 -1.38 -1.22 119.26 120.18 1wdm h ALA 474 Ca -0.08 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1wdm h ALA 474 Cb 1.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1wdm h ALA 474 CO 0.14 -0.21 -1.37 0.28 0.00 0.00 0.00 179.25 178.09 1wdm h VAL 475 N 0.00 0.94 -0.82 0.00 2.07 -1.25 -3.30 116.25 113.90 1wdm h VAL 475 Ca 0.07 -2.28 0.11 0.00 0.82 0.00 0.00 66.70 65.41 1wdm h VAL 475 Cb 0.35 2.49 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 1wdm h VAL 475 CO -0.00 0.55 0.45 0.00 0.02 0.00 0.00 177.57 178.59 1wdm h ALA 476 N -0.23 1.17 -0.57 1.67 0.00 -0.46 -0.52 119.26 120.33 1wdm h ALA 476 Ca -0.33 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1wdm h ALA 476 Cb 1.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1wdm h ALA 476 CO -0.06 0.04 0.24 1.15 0.00 0.00 0.00 179.25 180.61 1wdm h THR 477 N 0.73 1.22 0.60 0.00 2.02 -1.41 -1.91 112.91 114.16 1wdm h THR 477 Ca 0.41 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1wdm h THR 477 Cb 0.43 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1wdm h THR 477 CO -0.27 0.26 -0.38 0.74 0.37 0.00 0.00 175.52 176.24 1wdm h THR 478 N 0.77 0.24 -0.17 3.16 2.02 -1.29 -1.28 112.91 116.36 1wdm h THR 478 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1wdm h THR 478 Cb 0.18 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 1wdm h THR 478 CO -0.02 0.00 -0.34 0.58 0.37 0.00 0.00 175.52 176.11 1wdm h VAL 479 N -0.93 0.25 -0.60 3.16 2.07 -1.08 0.64 116.25 119.75 1wdm h VAL 479 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1wdm h VAL 479 Cb 0.75 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1wdm h VAL 479 CO 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.64 1wdm h ALA 480 N 0.41 0.56 -0.14 1.67 0.00 -1.24 0.36 119.26 120.88 1wdm h ALA 480 Ca 0.10 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1wdm h ALA 480 Cb 0.56 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1wdm h ALA 480 CO -0.39 -0.40 -0.11 -0.92 0.00 0.00 0.00 179.25 177.43 1wdm h TYR 481 N 0.10 0.22 -0.09 0.00 3.20 -0.23 0.14 116.97 120.31 1wdm h TYR 481 Ca 0.31 -0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.92 1wdm h TYR 481 Cb 0.49 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.72 1wdm h TYR 481 CO -0.38 0.33 -0.89 0.00 -1.64 0.00 0.00 178.16 175.58 1wdm h ALA 482 N 1.69 0.25 -0.09 1.82 0.00 0.15 -2.78 119.26 120.30 1wdm h ALA 482 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1wdm h ALA 482 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wdm h ALA 482 CO 0.02 0.69 -0.37 -0.22 0.00 0.00 0.00 179.25 179.37 1wdm h LYS 483 N 0.47 0.19 0.00 0.00 1.63 0.01 -2.33 116.57 116.54 1wdm h LYS 483 Ca -0.08 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1wdm h LYS 483 Cb 1.53 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1wdm h LYS 483 CO 0.18 0.54 0.00 -0.22 -3.45 0.00 0.00 179.45 176.50 1wdm h LYS 484 N 0.16 0.00 -0.93 1.90 3.64 -0.92 -2.84 116.57 117.58 1wdm h LYS 484 Ca 0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1wdm h LYS 484 Cb 0.74 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1wdm h LYS 484 CO 0.06 0.00 0.17 -1.33 -2.27 0.00 0.00 179.45 176.07 1wdm n MET 485 N -3.03 1.99 -1.93 1.90 2.81 -0.91 -4.83 117.12 113.12 1wdm n MET 485 Ca 0.02 -1.31 -0.19 0.00 -1.81 0.00 0.00 57.70 54.41 1wdm n MET 485 Cb 0.41 -1.63 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 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 -0.01 0.84 3.86 3.03 0.00 -1.07 -4.95 105.19 106.89 1wdm n GLY 486 Ca 0.20 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.25 2.45 -0.46 1.61 -0.14 -0.98 -4.97 119.74 113.02 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 -2.29 0.12 0.00 -1.68 0.00 0.00 37.83 33.98 1wdm s LYS 487 CO 0.00 -0.24 0.19 -0.80 -0.76 0.00 0.00 175.35 173.74 1wdm s ASN 488 N -4.12 4.50 0.51 2.83 0.01 0.32 -4.16 114.94 114.82 1wdm s ASN 488 Ca 0.46 -2.70 -0.18 0.00 -0.71 0.00 0.00 52.86 49.73 1wdm s ASN 488 Cb -0.02 -1.64 -0.08 0.00 0.41 0.00 0.00 41.25 39.92 1wdm s ASN 488 CO 0.27 -0.29 1.00 -2.16 -1.51 0.00 0.00 177.10 174.41 1wdm s PRO 489 N 0.15 3.84 -0.13 -0.60 0.04 -1.26 -3.28 135.00 133.75 1wdm s PRO 489 Ca 0.15 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.26 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 -0.03 -0.37 0.19 0.42 0.04 0.00 0.00 177.00 177.25 1wdm s ILE 490 N -2.39 -0.29 0.15 0.56 1.01 -1.11 -4.92 121.20 114.21 1wdm s ILE 490 Ca 0.62 0.17 -0.31 0.00 0.00 0.00 0.00 60.65 61.13 1wdm s ILE 490 Cb -0.12 -0.45 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 1wdm s ILE 490 CO 0.27 0.01 1.54 -0.69 0.00 0.00 0.00 174.94 176.07 1wdm s VAL 491 N 2.31 2.78 -0.10 2.92 1.01 -1.26 -2.24 120.40 125.82 1wdm s VAL 491 Ca 0.04 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1wdm s VAL 491 Cb -0.13 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1wdm s VAL 491 CO -0.08 0.04 0.03 -0.69 0.00 0.00 0.00 175.10 174.40 1wdm s VAL 492 N 1.24 0.22 0.37 2.92 1.01 -0.45 -4.69 120.40 121.02 1wdm s VAL 492 Ca 0.69 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 1wdm s VAL 492 Cb -0.42 -0.53 -0.11 0.00 0.00 0.00 0.00 36.38 35.31 1wdm s VAL 492 CO 0.31 0.08 1.37 0.59 0.00 0.00 0.00 175.10 177.45 1wdm n ASN 493 N 5.19 3.15 -4.63 3.32 3.02 -0.52 -2.24 115.26 122.54 1wdm n ASN 493 Ca -0.06 1.20 -0.47 0.00 -0.03 0.00 0.00 54.58 55.21 1wdm n ASN 493 Cb 0.49 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.08 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 0.53 2.23 -3.64 6.41 2.03 -1.10 -4.79 116.55 118.21 1wdm n ASP 494 Ca 0.04 1.13 -0.03 0.00 0.52 0.00 0.00 54.79 56.44 1wdm n ASP 494 Cb 0.38 -1.32 -0.06 0.00 -0.72 0.00 0.00 41.12 39.40 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 1.13 0.61 -0.27 0.00 -0.02 -1.26 0.80 135.00 136.00 1wdm n PRO 496 Ca -0.06 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1wdm n PRO 496 Cb 0.58 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 5.60 1.50 7.00 -1.23 0.00 -1.26 -4.66 105.19 112.14 1wdm n GLY 497 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.24 -0.93 117.46 117.37 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 0.21 0.07 4.37 -0.00 -1.26 -4.51 117.00 115.88 1wdm n LEU 499 Ca 0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 56.01 55.96 1wdm n LEU 499 Cb 0.00 -0.21 -0.05 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 -0.63 1.96 2.07 -1.84 -1.30 116.25 116.47 1wdm h VAL 500 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1wdm h VAL 500 Cb 0.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 1wdm h VAL 500 CO 0.00 0.00 0.35 0.78 0.02 0.00 0.00 177.57 178.72 1wdm h ASN 501 N -0.39 0.54 -0.43 0.57 4.21 -1.89 -0.51 115.58 117.68 1wdm h ASN 501 Ca -0.01 0.02 0.09 0.00 1.21 0.00 0.00 56.30 57.61 1wdm h ASN 501 Cb 0.38 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 1wdm h ASN 501 CO -0.12 0.36 0.30 -0.09 -1.29 0.00 0.00 177.43 176.58 1wdm h ARG 502 N 0.67 0.21 0.00 0.81 2.43 -0.87 -1.16 114.38 116.46 1wdm h ARG 502 Ca 0.27 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1wdm h ARG 502 Cb 0.13 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1wdm h ARG 502 CO -0.16 0.14 -0.93 0.28 -1.51 0.00 0.00 179.97 177.79 1wdm h VAL 503 N 0.21 0.11 0.01 0.20 2.07 -0.35 -3.37 116.25 115.13 1wdm h VAL 503 Ca 0.20 -1.20 -0.22 0.00 0.82 0.00 0.00 66.70 66.30 1wdm h VAL 503 Cb 0.51 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1wdm h VAL 503 CO -0.04 0.06 -1.06 0.25 0.02 0.00 0.00 177.57 176.81 1wdm h LEU 504 N 0.00 0.05 -0.41 2.57 6.46 0.11 -3.32 115.31 120.77 1wdm h LEU 504 Ca -0.03 -0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.56 1wdm h LEU 504 Cb 1.10 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1wdm h LEU 504 CO 0.01 1.04 -0.21 -0.26 -0.62 0.00 0.00 178.44 178.40 1wdm h PHE 505 N 0.01 0.99 -0.73 1.25 -1.00 -1.58 -1.21 116.94 114.67 1wdm h PHE 505 Ca -0.04 -0.25 0.03 0.00 2.81 0.00 0.00 57.97 60.52 1wdm h PHE 505 Cb 1.80 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 41.10 1wdm h PHE 505 CO 0.01 1.02 0.48 -1.35 -1.61 0.00 0.00 178.31 176.86 1wdm h PRO 506 N 0.67 0.88 -0.80 1.51 0.11 -1.75 0.76 132.00 133.39 1wdm h PRO 506 Ca 0.09 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1wdm h PRO 506 Cb 0.77 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 1wdm h PRO 506 CO 0.06 0.58 0.52 -0.92 -0.21 0.00 0.00 178.00 178.04 1wdm h TYR 507 N 0.91 0.93 -0.01 0.65 3.20 -1.54 0.88 116.97 121.99 1wdm h TYR 507 Ca 0.28 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.00 1wdm h TYR 507 Cb 0.01 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1wdm h TYR 507 CO -0.00 0.53 -0.79 0.74 -1.64 0.00 0.00 178.16 176.99 1wdm h PHE 508 N 0.95 0.16 -0.21 -3.82 0.05 0.79 -2.86 116.94 112.00 1wdm h PHE 508 Ca 0.33 -0.08 -0.02 0.00 3.82 0.00 0.00 57.97 62.02 1wdm h PHE 508 Cb 0.10 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 1wdm h PHE 508 CO -0.00 0.86 0.07 0.78 -0.18 0.00 0.00 178.31 179.84 1wdm h GLY 509 N 2.00 0.35 1.56 -1.45 0.00 0.24 0.24 103.07 106.01 1wdm h GLY 509 Ca -0.02 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1wdm h GLY 509 CO 0.11 0.19 0.17 -1.33 0.00 0.00 0.00 176.54 175.68 1wdm h GLY 510 N 0.17 0.00 1.50 4.60 0.00 -0.90 0.25 103.07 108.70 1wdm h GLY 510 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 1wdm h GLY 510 CO -0.00 0.00 -0.97 -2.75 0.00 0.00 0.00 176.54 172.82 1wdm h PHE 511 N 0.00 0.67 -0.18 5.60 3.57 -0.93 -2.82 116.94 122.85 1wdm h PHE 511 Ca 0.09 -0.37 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 1wdm h PHE 511 Cb 0.42 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1wdm h PHE 511 CO 0.00 1.19 0.03 0.00 -2.23 0.00 0.00 178.31 177.30 1wdm h ALA 512 N 0.68 0.24 -0.51 2.41 0.00 0.27 -2.48 119.26 119.88 1wdm h ALA 512 Ca -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1wdm h ALA 512 Cb 1.61 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wdm h ALA 512 CO 0.17 -0.09 0.21 0.87 0.00 0.00 0.00 179.25 180.41 1wdm h LYS 513 N 0.09 0.72 0.03 0.00 1.57 -1.11 0.79 116.57 118.66 1wdm h LYS 513 Ca 0.05 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wdm h LYS 513 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1wdm h LYS 513 CO 0.00 0.59 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.39 1wdm h LEU 514 N 0.72 -0.03 -0.97 2.94 3.38 -1.36 -1.25 115.31 118.74 1wdm h LEU 514 Ca 0.17 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1wdm h LEU 514 Cb 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1wdm h LEU 514 CO -0.02 0.16 0.06 0.58 0.09 0.00 0.00 178.44 179.32 1wdm h VAL 515 N -0.23 1.23 0.00 1.22 2.07 -1.20 -0.40 116.25 118.95 1wdm h VAL 515 Ca -0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1wdm h VAL 515 Cb 0.21 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1wdm h VAL 515 CO 0.01 0.33 0.00 -1.20 0.02 0.00 0.00 177.57 176.73 1wdm n SER 516 N -4.24 0.00 -0.65 0.57 7.64 0.25 -2.56 113.62 114.63 1wdm n SER 516 Ca 0.03 -1.01 0.06 0.00 1.01 0.00 0.00 58.87 58.96 1wdm n SER 516 Cb 0.27 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.88 3.15 -2.56 -0.43 0.00 -0.19 -2.01 120.51 117.59 1wdm n ALA 517 Ca 0.15 -2.74 -0.14 0.00 0.00 0.00 0.00 53.44 50.72 1wdm n ALA 517 Cb 0.07 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.03 -0.10 3.51 0.00 0.00 -1.06 -2.69 105.19 103.82 1wdm n GLY 518 Ca 0.22 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 4.35 0.04 1.61 1.01 -1.00 -4.85 120.40 118.73 1wdm s VAL 519 Ca 0.12 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1wdm s VAL 519 Cb -0.05 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 1wdm s VAL 519 CO 0.15 0.41 1.90 -0.67 0.00 0.00 0.00 175.10 176.89 1wdm n ASP 520 N 4.22 3.95 0.20 3.32 4.64 -1.26 -4.36 116.55 127.25 1wdm n ASP 520 Ca -0.17 0.95 0.06 0.00 -1.38 0.00 0.00 54.79 54.25 1wdm n ASP 520 Cb 0.52 -1.50 0.43 0.00 -1.04 0.00 0.00 41.12 39.53 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 9.56 0.00 0.00 -0.67 -5.15 -1.96 -1.45 116.94 117.27 1wdm h PHE 521 Ca -0.48 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.25 1wdm h PHE 521 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.41 1wdm h PHE 521 CO 0.88 0.32 -0.15 0.28 -2.00 0.00 0.00 178.31 177.64 1wdm h VAL 522 N 0.00 0.93 0.02 0.88 2.07 -1.99 -1.35 116.25 116.80 1wdm h VAL 522 Ca -0.00 -0.56 -0.27 0.00 0.82 0.00 0.00 66.70 66.69 1wdm h VAL 522 Cb 0.66 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1wdm h VAL 522 CO 0.04 0.15 -1.44 -0.09 0.02 0.00 0.00 177.57 176.25 1wdm h ARG 523 N 0.00 0.04 0.01 1.57 2.43 -1.71 -3.20 114.38 113.51 1wdm h ARG 523 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1wdm h ARG 523 Cb 0.31 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1wdm h ARG 523 CO 0.02 0.77 -0.00 0.82 -1.51 0.00 0.00 179.97 180.06 1wdm h ILE 524 N 0.01 0.00 0.00 1.20 2.04 -0.26 -3.02 117.51 117.48 1wdm h ILE 524 Ca -0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1wdm h ILE 524 Cb 1.93 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1wdm h ILE 524 CO 0.11 0.00 -0.02 -2.24 0.00 0.00 0.00 178.15 176.00 1wdm h ASP 525 N -0.01 0.00 0.59 1.72 3.04 -1.62 0.11 116.42 120.24 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 0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1wdm h ASP 525 CO 0.00 0.02 0.00 0.11 -2.04 0.00 0.00 179.24 177.33 1wdm h LYS 526 N 0.00 0.00 0.08 4.15 1.57 -1.54 0.29 116.57 121.12 1wdm h LYS 526 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1wdm h LYS 526 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1wdm h LYS 526 CO 0.00 0.00 -2.03 0.28 -0.57 0.00 0.00 179.45 177.13 1wdm n VAL 527 N -2.78 1.69 0.14 0.50 0.31 0.33 -3.21 118.33 115.31 1wdm n VAL 527 Ca -0.00 -0.56 0.01 0.00 -0.01 0.00 0.00 64.34 63.78 1wdm n VAL 527 Cb 0.20 -1.72 0.34 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.10 0.14 -0.20 5.55 2.86 -0.93 0.30 114.93 122.54 1wdm h MET 528 Ca -0.46 -0.05 -0.21 0.00 -2.06 0.00 0.00 59.70 56.93 1wdm h MET 528 Cb 1.91 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.57 1wdm h MET 528 CO 0.00 0.43 -0.70 0.93 1.06 0.00 0.00 176.91 178.63 1wdm h GLU 529 N 0.12 0.83 0.00 1.72 5.08 -0.61 -1.90 114.58 119.82 1wdm h GLU 529 Ca 0.02 -0.62 -0.05 0.00 -1.00 0.00 0.00 59.36 57.72 1wdm h GLU 529 Cb 0.59 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wdm h GLU 529 CO 0.04 1.23 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.85 1wdm h LYS 530 N 0.59 0.00 0.22 2.33 3.64 -1.34 -2.93 116.57 119.07 1wdm h LYS 530 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1wdm h LYS 530 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1wdm h LYS 530 CO 0.15 0.22 -0.10 0.35 -2.27 0.00 0.00 179.45 177.79 1wdm h PHE 531 N 0.00 -0.27 0.00 1.91 3.57 0.03 -3.48 116.94 118.71 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 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1wdm h PHE 531 CO 0.00 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 1wdm n GLY 532 N -0.27 0.00 3.77 2.40 0.00 -0.76 -5.04 105.19 105.28 1wdm n GLY 532 Ca -0.09 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 2.92 0.08 1.61 0.52 -0.94 -4.40 118.94 118.74 1wdm s TRP 533 Ca 0.00 1.48 -0.23 0.00 0.02 0.00 0.00 56.10 57.37 1wdm s TRP 533 Cb 0.00 -3.55 -0.15 0.00 -1.15 0.00 0.00 33.47 28.62 1wdm s TRP 533 CO 0.00 -1.75 1.70 -1.35 0.02 0.00 0.00 176.95 175.56 1wdm h PRO 534 N 2.62 0.01 -5.56 4.98 0.11 -1.89 -3.40 132.00 128.88 1wdm h PRO 534 Ca -0.49 -0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.06 1wdm h PRO 534 Cb 1.24 -0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.05 1wdm h PRO 534 CO 0.62 0.05 -0.84 -1.64 -0.21 0.00 0.00 178.00 175.99 1wdm s MET 535 N -6.01 1.61 0.89 1.05 -1.94 -1.26 -4.98 119.30 108.65 1wdm s MET 535 Ca -0.13 -0.63 -0.11 0.00 -1.71 0.00 0.00 55.69 53.11 1wdm s MET 535 Cb 0.06 -1.49 0.13 0.00 2.01 0.00 0.00 34.83 35.54 1wdm s MET 535 CO 0.66 0.33 1.11 0.20 -0.01 0.00 0.00 175.02 177.31 1wdm s GLY 536 N -0.23 1.66 0.24 -0.03 0.00 -1.26 -4.72 107.32 102.97 1wdm s GLY 536 Ca 0.02 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 1wdm s GLY 536 CO 0.01 0.73 1.73 -2.55 0.00 0.00 0.00 173.10 173.01 1wdm h PRO 537 N -1.63 0.42 0.77 2.90 0.11 -1.93 -0.19 132.00 132.43 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 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1wdm h PRO 537 CO 0.48 0.27 -0.37 0.00 -0.21 0.00 0.00 178.00 178.18 1wdm h ALA 538 N 1.53 -1.06 -0.82 -0.75 0.00 -1.91 -2.05 119.26 114.19 1wdm h ALA 538 Ca 0.40 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.30 1wdm h ALA 538 Cb 0.59 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1wdm h ALA 538 CO -0.40 -0.99 0.58 -0.92 0.00 0.00 0.00 179.25 177.52 1wdm h TYR 539 N -1.24 0.20 -0.30 0.00 3.20 -1.88 0.82 116.97 117.77 1wdm h TYR 539 Ca -0.11 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.63 1wdm h TYR 539 Cb 0.79 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1wdm h TYR 539 CO 0.01 0.05 -0.36 1.25 -1.64 0.00 0.00 178.16 177.47 1wdm h LEU 540 N 0.15 0.84 -2.02 2.82 6.46 -0.91 -2.42 115.31 120.23 1wdm h LEU 540 Ca 0.41 -0.49 0.11 0.00 -0.12 0.00 0.00 57.88 57.79 1wdm h LEU 540 Cb 1.37 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 1wdm h LEU 540 CO -0.07 1.16 0.30 0.24 -0.62 0.00 0.00 178.44 179.45 1wdm h MET 541 N 0.54 0.00 0.14 1.25 2.86 -0.09 0.17 114.93 119.79 1wdm h MET 541 Ca 0.04 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.43 1wdm h MET 541 Cb 0.95 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.64 1wdm h MET 541 CO 0.09 0.00 -1.06 -0.44 1.06 0.00 0.00 176.91 176.56 1wdm h ASP 542 N 0.00 0.69 0.16 1.22 3.32 -1.28 -1.55 116.42 118.98 1wdm h ASP 542 Ca 0.19 -0.87 0.01 0.00 0.02 0.00 0.00 57.03 56.37 1wdm h ASP 542 Cb 0.78 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1wdm h ASP 542 CO -0.00 1.51 -0.18 0.58 -1.72 0.00 0.00 179.24 179.42 1wdm h VAL 543 N -0.01 0.60 0.00 -1.35 2.07 -0.57 -1.78 116.25 115.21 1wdm h VAL 543 Ca -0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1wdm h VAL 543 Cb 1.79 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1wdm h VAL 543 CO 0.20 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.97 1wdm h VAL 544 N -0.38 1.26 -0.37 2.57 2.07 -1.17 -3.46 116.25 116.77 1wdm h VAL 544 Ca 0.01 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1wdm h VAL 544 Cb 0.37 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1wdm h VAL 544 CO -0.06 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.54 1wdm n GLY 545 N -0.33 -0.37 0.38 2.17 0.00 -0.60 -4.51 105.19 101.93 1wdm n GLY 545 Ca -0.02 -1.04 0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 0.71 -0.61 -0.61 5.03 -0.19 0.33 117.51 122.17 1wdm h ILE 546 Ca 0.00 -0.20 0.13 0.00 -0.12 0.00 0.00 64.86 64.66 1wdm h ILE 546 Cb 0.00 0.07 -0.04 0.00 -3.03 0.00 0.00 36.82 33.82 1wdm h ILE 546 CO 0.00 0.11 0.42 -2.24 -0.68 0.00 0.00 178.15 175.75 1wdm h ASP 547 N 0.59 0.26 0.00 1.72 3.04 -1.88 0.25 116.42 120.41 1wdm h ASP 547 Ca 0.51 0.01 -0.06 0.00 -3.24 0.00 0.00 57.03 54.25 1wdm h ASP 547 Cb 1.01 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 39.24 1wdm h ASP 547 CO -0.26 0.15 -0.36 0.74 -2.04 0.00 0.00 179.24 177.47 1wdm h THR 548 N 0.29 1.38 -0.63 1.15 2.02 -0.64 -3.23 112.91 113.26 1wdm h THR 548 Ca 0.29 -2.18 0.16 0.00 0.77 0.00 0.00 66.41 65.46 1wdm h THR 548 Cb 0.75 2.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.88 1wdm h THR 548 CO -0.07 0.47 0.44 1.23 0.37 0.00 0.00 175.52 177.97 1wdm h GLY 549 N -1.00 0.21 0.76 2.16 0.00 -0.64 0.31 103.07 104.87 1wdm h GLY 549 Ca -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1wdm h GLY 549 CO -0.06 0.02 -0.09 0.84 0.00 0.00 0.00 176.54 177.25 1wdm h HIS 550 N 0.12 0.40 -0.03 5.60 6.17 -0.63 -2.03 115.15 124.76 1wdm h HIS 550 Ca 0.30 -0.10 -0.00 0.00 0.71 0.00 0.00 60.37 61.28 1wdm h HIS 550 Cb 1.04 -0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.87 1wdm h HIS 550 CO -0.00 0.67 0.00 1.25 0.71 0.00 0.00 177.93 180.57 1wdm h HIS 551 N 0.01 0.04 -0.79 5.26 6.17 -0.99 -2.70 115.15 122.15 1wdm h HIS 551 Ca 0.03 -0.01 0.19 0.00 0.71 0.00 0.00 60.37 61.30 1wdm h HIS 551 Cb 0.57 -0.01 -0.05 0.00 2.52 0.00 0.00 27.41 30.45 1wdm h HIS 551 CO 0.07 0.28 0.54 0.78 0.71 0.00 0.00 177.93 180.31 1wdm h GLY 552 N -0.20 0.47 0.75 5.26 0.00 -0.50 -2.09 103.07 106.76 1wdm h GLY 552 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1wdm h GLY 552 CO 0.00 0.01 -0.32 -0.09 0.00 0.00 0.00 176.54 176.15 1wdm h ARG 553 N 0.24 -0.85 -1.04 4.80 2.43 -1.05 -2.78 114.38 116.14 1wdm h ARG 553 Ca 0.39 0.06 0.27 0.00 -0.81 0.00 0.00 59.98 59.89 1wdm h ARG 553 Cb 1.17 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.83 1wdm h ARG 553 CO -0.09 -0.53 0.69 -0.44 -1.51 0.00 0.00 179.97 178.08 1wdm h ASP 554 N -1.15 0.36 -0.12 -3.80 5.19 -1.18 -0.62 116.42 115.10 1wdm h ASP 554 Ca -0.09 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1wdm h ASP 554 Cb 0.71 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 1wdm h ASP 554 CO 0.15 0.08 -0.02 0.58 -3.12 0.00 0.00 179.24 176.91 1wdm h VAL 555 N 0.32 1.27 -0.11 -1.35 2.07 -1.36 -2.91 116.25 114.19 1wdm h VAL 555 Ca 0.57 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1wdm h VAL 555 Cb 1.59 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1wdm h VAL 555 CO -0.23 0.26 -0.26 0.24 0.02 0.00 0.00 177.57 177.60 1wdm h MET 556 N -0.07 0.19 0.36 1.57 2.86 -0.89 -2.23 114.93 116.72 1wdm h MET 556 Ca 0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wdm h MET 556 Cb 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1wdm h MET 556 CO 0.01 0.44 -0.30 0.00 1.06 0.00 0.00 176.91 178.12 1wdm h ALA 557 N 1.56 -0.68 0.00 6.32 0.00 -1.08 0.21 119.26 125.60 1wdm h ALA 557 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wdm h ALA 557 Cb 0.56 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wdm h ALA 557 CO 0.04 -0.91 -0.03 0.93 0.00 0.00 0.00 179.25 179.27 1wdm h GLU 558 N -0.68 0.00 0.01 0.00 5.08 -1.38 -2.36 114.58 115.25 1wdm h GLU 558 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1wdm h GLU 558 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1wdm h GLU 558 CO -0.03 0.03 -0.21 0.78 -1.00 0.00 0.00 179.01 178.59 1wdm h GLY 559 N 0.71 0.13 -6.29 -3.84 0.00 -0.53 -3.41 103.07 89.84 1wdm h GLY 559 Ca -0.00 -0.26 -0.58 0.00 0.00 0.00 0.00 47.33 46.49 1wdm h GLY 559 CO 0.00 0.23 -0.94 0.69 0.00 0.00 0.00 176.54 176.52 1wdm n PHE 560 N -4.53 0.26 -0.33 5.60 3.01 0.60 -4.98 117.46 117.09 1wdm n PHE 560 Ca -0.10 -3.61 0.04 0.00 1.01 0.00 0.00 57.45 54.79 1wdm n PHE 560 Cb 0.51 -0.16 0.19 0.00 -0.01 0.00 0.00 39.48 40.01 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 4.82 0.91 0.00 -1.08 0.11 -1.66 0.22 132.00 135.32 1wdm h PRO 561 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1wdm h PRO 561 Cb 0.85 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1wdm h PRO 561 CO 0.50 0.60 0.35 0.38 -0.21 0.00 0.00 178.00 179.62 1wdm h ASP 562 N 0.94 0.00 0.00 -2.05 2.03 -1.93 -3.32 116.42 112.09 1wdm h ASP 562 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 1wdm h ASP 562 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1wdm h ASP 562 CO -0.23 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 175.87 1wdm n ARG 563 N -2.22 0.75 -0.86 4.15 1.85 -0.98 -4.84 116.66 114.51 1wdm n ARG 563 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.82 1wdm n ARG 563 Cb 0.38 -0.06 0.28 0.00 -1.05 0.00 0.00 32.46 32.00 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 3.21 -4.08 2.89 2.81 0.74 -4.63 117.12 118.06 1wdm n MET 564 Ca 0.00 -3.05 -0.31 0.00 -1.81 0.00 0.00 57.70 52.53 1wdm n MET 564 Cb 0.00 -2.07 -0.16 0.00 -0.71 0.00 0.00 33.22 30.28 1wdm n MET 564 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1wdm s LYS 565 N -3.01 2.46 -0.08 0.03 3.01 -1.25 -3.98 119.74 116.93 1wdm s LYS 565 Ca 0.50 -0.62 0.01 0.00 -1.01 0.00 0.00 55.97 54.85 1wdm s LYS 565 Cb 0.41 -2.20 -0.03 0.00 -1.01 0.00 0.00 37.83 35.01 1wdm s LYS 565 CO 0.10 -0.22 -0.10 0.34 0.51 0.00 0.00 175.35 175.99 1wdm s ASP 566 N 1.40 4.40 0.24 2.83 -1.08 -1.26 -5.02 116.67 118.18 1wdm s ASP 566 Ca 0.04 -0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.19 1wdm s ASP 566 Cb -0.13 -1.17 0.37 0.00 -1.46 0.00 0.00 42.92 40.54 1wdm s ASP 566 CO -0.10 0.32 1.43 -2.24 0.52 0.00 0.00 175.17 175.10 1wdm h ASP 567 N 5.55 0.00 -2.74 -0.34 2.03 -2.02 -3.46 116.42 115.43 1wdm h ASP 567 Ca -0.44 -0.07 -0.54 0.00 -0.73 0.00 0.00 57.03 55.25 1wdm h ASP 567 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 1wdm h ASP 567 CO 0.53 0.03 -0.39 -0.13 -1.03 0.00 0.00 179.24 178.26 1wdm s ARG 568 N -3.21 3.49 -0.26 4.15 0.52 -1.26 -5.06 118.95 117.33 1wdm s ARG 568 Ca 0.06 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 1wdm s ARG 568 Cb 0.10 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1wdm s ARG 568 CO 0.70 0.45 1.16 1.03 0.02 0.00 0.00 175.30 178.65 1wdm s ARG 569 N -3.27 4.12 0.85 3.54 0.52 -1.26 -5.03 118.95 118.43 1wdm s ARG 569 Ca 0.37 1.31 -0.13 0.00 -0.52 0.00 0.00 55.73 56.76 1wdm s ARG 569 Cb -0.11 -3.75 0.12 0.00 0.52 0.00 0.00 34.95 31.73 1wdm s ARG 569 CO 0.29 -0.84 1.22 -1.54 0.02 0.00 0.00 175.30 174.45 1wdm s SER 570 N 1.86 4.06 0.49 0.23 1.04 -1.26 -4.77 113.70 115.35 1wdm s SER 570 Ca 0.49 0.59 0.33 0.00 0.48 0.00 0.00 55.95 57.85 1wdm s SER 570 Cb -0.16 -0.94 1.80 0.00 0.10 0.00 0.00 66.02 66.82 1wdm s SER 570 CO 0.15 -2.17 2.01 0.00 0.98 0.00 0.00 173.24 174.21 1wdm h ALA 571 N -1.23 1.00 0.47 5.32 0.00 -1.94 -2.26 119.26 120.62 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 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wdm h ALA 571 CO 0.56 0.00 -0.23 0.82 0.00 0.00 0.00 179.25 180.41 1wdm h ILE 572 N 0.00 0.00 -0.90 0.00 2.04 -1.97 -2.29 117.51 114.39 1wdm h ILE 572 Ca 0.00 -0.43 0.25 0.00 1.00 0.00 0.00 64.86 65.68 1wdm h ILE 572 Cb 0.00 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.94 1wdm h ILE 572 CO 0.00 0.00 0.30 0.44 0.00 0.00 0.00 178.15 178.89 1wdm h ASP 573 N -1.07 0.10 0.48 1.72 3.32 -1.77 0.49 116.42 119.69 1wdm h ASP 573 Ca -0.07 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1wdm h ASP 573 Cb 0.49 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1wdm h ASP 573 CO 0.11 -0.15 -0.48 0.00 -1.72 0.00 0.00 179.24 177.00 1wdm h ALA 574 N 1.79 -1.08 -0.63 3.45 0.00 -1.47 0.32 119.26 121.64 1wdm h ALA 574 Ca 0.58 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1wdm h ALA 574 Cb 1.21 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 1wdm h ALA 574 CO -0.64 -1.15 0.22 -0.07 0.00 0.00 0.00 179.25 177.60 1wdm h LEU 575 N -0.97 0.87 0.31 0.00 3.38 -0.43 -0.86 115.31 117.61 1wdm h LEU 575 Ca -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1wdm h LEU 575 Cb 0.85 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1wdm h LEU 575 CO -0.07 0.80 -0.15 0.22 0.09 0.00 0.00 178.44 179.34 1wdm h TYR 576 N 0.92 -0.38 0.00 1.13 3.20 0.16 0.13 116.97 122.13 1wdm h TYR 576 Ca 0.21 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1wdm h TYR 576 Cb 0.23 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1wdm h TYR 576 CO 0.02 -0.09 -0.08 0.93 -1.64 0.00 0.00 178.16 177.30 1wdm h GLU 577 N -0.66 0.00 -0.01 1.82 5.08 -0.32 0.11 114.58 120.60 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 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wdm h GLU 577 CO 0.07 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 1wdm n ALA 578 N -2.43 2.64 -3.46 3.43 0.00 -0.34 -4.92 120.51 115.44 1wdm n ALA 578 Ca -0.03 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1wdm n ALA 578 Cb 0.16 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.56 -7.03 -3.19 0.00 5.02 0.37 -4.95 118.16 107.82 1wdm n LYS 579 Ca 0.22 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.92 1wdm n LYS 579 Cb 0.20 -5.64 -0.03 0.00 -0.02 0.00 0.00 35.03 29.54 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 -4.45 3.63 0.20 1.97 1.74 0.40 -4.91 116.66 115.24 1wdm n ARG 580 Ca -0.08 -4.61 0.11 0.00 -0.77 0.00 0.00 57.85 52.51 1wdm n ARG 580 Cb 0.59 -2.40 0.61 0.00 -1.02 0.00 0.00 32.46 30.23 1wdm n ARG 580 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wdm h LEU 581 N 4.91 0.00 0.00 0.55 3.38 -1.74 -3.37 115.31 119.04 1wdm h LEU 581 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wdm h LEU 581 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wdm h LEU 581 CO 1.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.26 1wdm n GLY 582 N -1.26 0.22 0.36 0.83 0.00 0.22 0.09 105.19 105.66 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 -1.63 0.53 115.11 119.95 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 -0.42 1.57 -1.93 0.00 0.00 178.83 178.16 1wdm h LYS 584 N 0.18 0.00 -0.02 1.69 2.10 -1.83 -2.94 116.57 115.75 1wdm h LYS 584 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1wdm h LYS 584 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1wdm h LYS 584 CO -0.04 0.42 -0.22 -1.71 -2.00 0.00 0.00 179.45 175.90 1wdm n ASN 585 N -3.47 2.34 0.00 7.07 5.15 0.55 -4.96 115.26 121.94 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 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 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 1.28 2.93 2.97 8.20 0.00 0.16 -4.85 105.19 115.87 1wdm n GLY 586 Ca 0.10 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 -1.59 0.00 0.00 0.00 173.32 171.73 1wdm s LYS 587 N -0.17 1.01 0.00 1.61 -2.85 -0.83 0.11 119.74 118.62 1wdm s LYS 587 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1wdm s LYS 587 Cb 0.00 -0.94 0.00 0.00 -2.06 0.00 0.00 37.83 34.83 1wdm s LYS 587 CO 0.00 0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.90 1wdm n GLY 588 N 3.60 2.94 0.20 0.59 0.00 -1.26 0.72 105.19 111.98 1wdm n GLY 588 Ca -0.21 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 0.55 -0.63 1.61 -1.00 -1.88 -3.45 116.94 112.15 1wdm h PHE 589 Ca 0.00 -0.18 -0.60 0.00 2.81 0.00 0.00 57.97 59.99 1wdm h PHE 589 Cb 0.00 -0.11 -0.07 0.00 3.61 0.00 0.00 35.95 39.38 1wdm h PHE 589 CO 0.00 0.87 -0.37 0.71 -1.61 0.00 0.00 178.31 177.90 1wdm s TYR 590 N -4.02 1.80 -0.07 -0.55 1.51 -1.26 -4.80 117.35 109.95 1wdm s TYR 590 Ca -0.06 -0.84 0.04 0.00 -1.01 0.00 0.00 57.07 55.20 1wdm s TYR 590 Cb 0.12 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1wdm s TYR 590 CO 0.82 -0.24 -0.18 0.00 -1.11 0.00 0.00 175.55 174.84 1wdm s ALA 591 N -2.78 2.46 -0.02 3.71 0.00 0.24 -4.43 121.76 120.95 1wdm s ALA 591 Ca 0.28 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1wdm s ALA 591 Cb -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1wdm s ALA 591 CO 0.17 0.43 -0.23 0.71 0.00 0.00 0.00 175.76 176.85 1wdm s TYR 592 N -0.27 2.05 -0.13 0.00 1.51 0.31 -1.22 117.35 119.60 1wdm s TYR 592 Ca 0.01 -0.39 0.16 0.00 -1.01 0.00 0.00 57.07 55.84 1wdm s TYR 592 Cb -0.13 -1.32 -0.24 0.00 -0.11 0.00 0.00 41.96 40.17 1wdm s TYR 592 CO 0.03 -0.03 0.38 1.63 -1.11 0.00 0.00 175.55 176.44 1wdm n LYS 601 N 2.51 0.66 -2.90 -0.62 5.02 -1.26 -4.70 118.16 116.88 1wdm n LYS 601 Ca -0.16 0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1wdm n LYS 601 Cb 0.52 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 1wdm n LYS 601 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wdm s LYS 602 N -2.64 3.18 0.14 1.97 2.20 -1.26 -5.02 119.74 118.31 1wdm s LYS 602 Ca -0.07 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 54.91 1wdm s LYS 602 Cb 0.07 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 1wdm s LYS 602 CO 0.83 -1.63 -0.12 -0.51 -0.36 0.00 0.00 175.35 173.56 1wdm s LEU 603 N 3.80 2.49 -0.20 5.43 1.43 -0.36 -4.99 118.68 126.29 1wdm s LEU 603 Ca 0.23 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1wdm s LEU 603 Cb -0.16 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1wdm s LEU 603 CO 0.13 -0.26 0.08 -0.69 0.23 0.00 0.00 176.35 175.84 1wdm s VAL 604 N -2.93 4.81 -0.10 -1.59 1.01 -1.26 -0.59 120.40 119.74 1wdm s VAL 604 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1wdm s VAL 604 Cb -0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1wdm s VAL 604 CO 0.02 0.43 -0.07 1.51 0.00 0.00 0.00 175.10 176.98 1wdm s ASP 605 N 0.64 2.04 0.55 3.32 -4.77 -1.26 -4.95 116.67 112.24 1wdm s ASP 605 Ca 0.04 -0.27 0.25 0.00 -3.30 0.00 0.00 52.55 49.27 1wdm s ASP 605 Cb -0.13 -0.78 1.35 0.00 -1.09 0.00 0.00 42.92 42.27 1wdm s ASP 605 CO 0.01 -0.11 1.73 0.77 0.70 0.00 0.00 175.17 178.27 1wdm h SER 606 N 8.05 0.00 0.03 2.11 4.64 -1.98 -1.38 113.55 125.01 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 0.40 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.82 1wdm n SER 607 N -2.62 0.44 0.06 4.97 3.41 -1.26 -1.64 113.62 116.98 1wdm n SER 607 Ca -0.02 0.70 -0.23 0.00 -0.26 0.00 0.00 58.87 59.07 1wdm n SER 607 Cb 0.34 -0.76 -0.15 0.00 -0.26 0.00 0.00 64.21 63.39 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 0.96 -1.04 -3.33 2.07 -1.61 -3.35 116.25 109.95 1wdm h VAL 608 Ca 0.00 -2.48 0.29 0.00 0.82 0.00 0.00 66.70 65.33 1wdm h VAL 608 Cb 0.01 2.75 -0.13 0.00 -1.52 0.00 0.00 31.29 32.41 1wdm h VAL 608 CO 0.00 0.82 0.62 -0.07 0.02 0.00 0.00 177.57 178.96 1wdm h LEU 609 N 0.00 0.54 0.23 2.57 3.38 -1.50 0.07 115.31 120.60 1wdm h LEU 609 Ca -0.34 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1wdm h LEU 609 Cb 2.02 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1wdm h LEU 609 CO 0.15 -0.01 -0.11 -0.33 0.09 0.00 0.00 178.44 178.23 1wdm h GLU 610 N 0.41 -0.30 -0.73 1.13 5.08 -1.69 -1.87 114.58 116.61 1wdm h GLU 610 Ca 0.68 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 59.15 1wdm h GLU 610 Cb 1.55 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.80 1wdm h GLU 610 CO -0.49 -0.06 0.38 0.28 -1.00 0.00 0.00 179.01 178.12 1wdm h VAL 611 N -0.50 0.88 0.00 3.13 2.07 -1.14 -1.73 116.25 118.96 1wdm h VAL 611 Ca -0.03 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1wdm h VAL 611 Cb 0.37 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1wdm h VAL 611 CO 0.05 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1wdm n LEU 612 N -4.83 0.62 -0.26 2.57 4.77 -0.76 -4.05 117.00 115.06 1wdm n LEU 612 Ca 0.11 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.72 1wdm n LEU 612 Cb 0.26 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 41.15 1wdm n LEU 612 CO 0.26 -0.19 0.90 0.50 -1.33 0.00 0.00 177.39 177.53 1wdm h LYS 613 N 0.00 0.19 0.00 3.23 3.64 -0.44 0.03 116.57 123.23 1wdm h LYS 613 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1wdm h LYS 613 Cb 0.64 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1wdm h LYS 613 CO 0.00 0.13 -0.01 -1.35 -2.27 0.00 0.00 179.45 175.95 1wdm h PRO 614 N 0.20 0.00 0.16 1.90 0.11 -1.74 -2.87 132.00 129.75 1wdm h PRO 614 Ca 0.43 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.20 1wdm h PRO 614 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1wdm h PRO 614 CO -0.58 0.01 -1.72 0.82 -0.21 0.00 0.00 178.00 176.32 1wdm h ILE 615 N 0.00 0.95 -1.49 4.15 1.08 -1.26 -3.44 117.51 117.50 1wdm h ILE 615 Ca -0.00 -2.57 -0.46 0.00 -0.39 0.00 0.00 64.86 61.43 1wdm h ILE 615 Cb 0.04 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1wdm h ILE 615 CO 0.00 0.84 1.65 0.52 -0.69 0.00 0.00 178.15 180.47 1wdm n VAL 616 N -3.52 -0.08 0.00 1.67 0.31 -1.08 -4.70 118.33 110.93 1wdm n VAL 616 Ca -0.23 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 1wdm n VAL 616 Cb 1.06 -2.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 15.59 0.00 -2.54 3.52 0.53 -0.85 -4.92 117.16 128.50 1wdm n TYR 617 Ca 0.39 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.95 1wdm n TYR 617 Cb 0.51 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.78 1wdm n TYR 617 CO 0.00 0.00 0.00 -1.83 -1.02 0.00 0.00 176.86 174.01 1wdm s GLU 618 N 0.00 4.02 -0.57 -0.72 1.03 -1.25 -4.94 118.70 116.27 1wdm s GLU 618 Ca 0.00 0.98 0.01 0.00 0.03 0.00 0.00 54.97 55.98 1wdm s GLU 618 Cb 0.00 -2.16 0.51 0.00 -0.80 0.00 0.00 34.13 31.67 1wdm s GLU 618 CO 0.00 -0.19 1.92 0.94 -1.33 0.00 0.00 175.26 176.60 1wdm n GLN 619 N -1.30 2.61 -1.71 -4.83 -0.06 -1.26 -2.74 117.38 108.10 1wdm n GLN 619 Ca 0.06 -3.28 -0.56 0.00 -2.00 0.00 0.00 57.00 51.22 1wdm n GLN 619 Cb 0.54 -2.24 -0.07 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 -0.97 1.33 -1.62 3.69 0.63 -1.10 -4.88 116.66 113.75 1wdm n ARG 620 Ca 0.60 0.49 -0.31 0.00 -0.92 0.00 0.00 57.85 57.70 1wdm n ARG 620 Cb 0.94 -2.20 0.05 0.00 0.45 0.00 0.00 32.46 31.70 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 3.70 5.34 -0.06 6.15 1.01 -1.26 -4.71 116.67 126.84 1wdm s ASP 621 Ca 0.98 1.68 -0.26 0.00 0.71 0.00 0.00 52.55 55.66 1wdm s ASP 621 Cb -1.01 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 40.47 1wdm s ASP 621 CO 0.64 -1.47 0.58 0.54 0.21 0.00 0.00 175.17 175.67 1wdm s VAL 622 N -2.92 0.01 0.68 -1.27 0.11 -1.26 -5.15 120.40 110.61 1wdm s VAL 622 Ca 0.59 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.47 1wdm s VAL 622 Cb -0.15 -0.88 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1wdm s VAL 622 CO 0.52 -0.07 0.98 0.42 -3.33 0.00 0.00 175.10 173.62 1wdm s THR 623 N -1.04 2.33 0.19 5.04 -4.23 -1.26 -4.96 115.64 111.71 1wdm s THR 623 Ca -0.10 -0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 59.99 1wdm s THR 623 Cb -0.02 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.90 1wdm s THR 623 CO 0.07 0.00 1.65 0.44 -0.54 0.00 0.00 174.62 176.24 1wdm h ASP 624 N -0.51 1.00 -0.57 3.99 3.32 -2.01 -2.78 116.42 118.86 1wdm h ASP 624 Ca -0.44 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.27 1wdm h ASP 624 Cb 1.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1wdm h ASP 624 CO 0.58 1.07 0.19 -0.08 -1.72 0.00 0.00 179.24 179.29 1wdm h GLU 625 N 0.92 0.88 -0.44 3.56 4.81 -2.00 -2.80 114.58 119.51 1wdm h GLU 625 Ca 0.16 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1wdm h GLU 625 Cb 0.59 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1wdm h GLU 625 CO 0.04 0.78 0.21 -0.44 -0.73 0.00 0.00 179.01 178.86 1wdm h ASP 626 N 0.79 0.29 -0.45 1.04 3.32 -1.92 -2.02 116.42 117.47 1wdm h ASP 626 Ca 0.19 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.36 1wdm h ASP 626 Cb 0.26 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.69 1wdm h ASP 626 CO -0.01 0.21 -0.24 0.40 -1.72 0.00 0.00 179.24 177.88 1wdm h ILE 627 N 0.42 0.34 -0.79 0.35 2.04 -1.25 0.61 117.51 119.23 1wdm h ILE 627 Ca 0.19 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.18 1wdm h ILE 627 Cb 0.11 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1wdm h ILE 627 CO -0.15 0.00 0.52 0.40 0.00 0.00 0.00 178.15 178.93 1wdm h ILE 628 N -0.14 0.85 0.06 -0.67 2.04 -1.14 -1.38 117.51 117.13 1wdm h ILE 628 Ca 0.21 -0.20 -0.24 0.00 1.00 0.00 0.00 64.86 65.64 1wdm h ILE 628 Cb 0.48 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1wdm h ILE 628 CO -0.54 0.11 -1.08 0.78 0.00 0.00 0.00 178.15 177.41 1wdm h ASN 629 N 0.58 0.27 0.37 1.72 2.35 0.47 0.73 115.58 122.07 1wdm h ASN 629 Ca 0.39 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1wdm h ASN 629 Cb 0.69 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1wdm h ASN 629 CO -0.15 1.17 0.00 -0.50 -1.65 0.00 0.00 177.43 176.31 1wdm h TRP 630 N 0.07 0.00 0.00 1.19 4.06 0.11 -2.60 115.95 118.78 1wdm h TRP 630 Ca -0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1wdm h TRP 630 Cb 1.80 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.96 1wdm h TRP 630 CO 0.04 0.00 -0.71 -1.33 -3.56 0.00 0.00 178.44 172.88 1wdm n MET 631 N -2.79 0.38 -0.30 0.49 2.81 -0.99 -4.27 117.12 112.45 1wdm n MET 631 Ca -0.01 0.15 -0.02 0.00 -1.81 0.00 0.00 57.70 56.01 1wdm n MET 631 Cb 0.15 -1.15 0.14 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.71 1.18 -0.01 0.03 2.86 -0.93 -3.12 114.93 114.22 1wdm h MET 632 Ca 0.00 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1wdm h MET 632 Cb 0.71 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1wdm h MET 632 CO 0.00 0.84 -0.19 0.82 1.06 0.00 0.00 176.91 179.43 1wdm h ILE 633 N 1.20 0.54 -0.33 -1.22 2.04 -1.66 0.59 117.51 118.66 1wdm h ILE 633 Ca 0.31 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.19 1wdm h ILE 633 Cb -0.03 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1wdm h ILE 633 CO -0.06 0.00 0.17 -0.65 0.00 0.00 0.00 178.15 177.62 1wdm h PRO 634 N -0.30 0.34 0.09 2.37 0.11 -1.76 -1.03 132.00 131.82 1wdm h PRO 634 Ca 0.06 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.16 1wdm h PRO 634 Cb 0.39 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1wdm h PRO 634 CO -0.19 0.23 -0.14 1.25 -0.21 0.00 0.00 178.00 178.94 1wdm h LEU 635 N 0.35 -0.37 -0.17 2.35 6.46 -1.43 -0.17 115.31 122.34 1wdm h LEU 635 Ca 0.14 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1wdm h LEU 635 Cb 0.04 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1wdm h LEU 635 CO -0.09 -0.20 0.07 0.00 -0.62 0.00 0.00 178.44 177.60 1wdm h LEU 637 N 0.16 0.64 -0.80 0.00 3.38 -0.97 -1.10 115.31 116.62 1wdm h LEU 637 Ca 0.07 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1wdm h LEU 637 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wdm h LEU 637 CO -0.06 0.41 -0.23 -0.08 0.09 0.00 0.00 178.44 178.57 1wdm h GLU 638 N 0.77 0.64 -0.38 1.13 4.57 -0.65 -1.25 114.58 119.41 1wdm h GLU 638 Ca 0.32 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1wdm h GLU 638 Cb 0.18 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1wdm h GLU 638 CO -0.18 0.82 0.22 1.15 -1.18 0.00 0.00 179.01 179.84 1wdm h THR 639 N 0.57 1.11 -0.03 0.32 2.02 0.06 -1.03 112.91 115.93 1wdm h THR 639 Ca 0.08 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1wdm h THR 639 Cb 0.70 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1wdm h THR 639 CO 0.05 0.12 -0.03 0.58 0.37 0.00 0.00 175.52 176.61 1wdm h VAL 640 N 0.52 1.39 -0.67 3.16 2.07 -0.56 -2.97 116.25 119.19 1wdm h VAL 640 Ca 0.14 -1.22 0.11 0.00 0.82 0.00 0.00 66.70 66.55 1wdm h VAL 640 Cb -0.00 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.84 1wdm h VAL 640 CO -0.02 0.33 0.26 0.03 0.02 0.00 0.00 177.57 178.18 1wdm h ARG 641 N -0.41 0.41 -0.67 1.57 3.08 -0.53 0.51 114.38 118.36 1wdm h ARG 641 Ca 0.00 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1wdm h ARG 641 Cb 0.54 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1wdm h ARG 641 CO 0.01 0.27 0.44 0.00 -1.07 0.00 0.00 179.97 179.62 1wdm h LEU 643 N 0.65 0.27 0.49 0.00 6.46 -0.43 0.21 115.31 122.97 1wdm h LEU 643 Ca 0.29 -0.78 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1wdm h LEU 643 Cb 0.31 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1wdm h LEU 643 CO -0.09 1.01 -0.36 -0.33 -0.62 0.00 0.00 178.44 178.05 1wdm h GLU 644 N -0.44 -0.80 0.00 1.25 5.08 0.56 -1.77 114.58 118.45 1wdm h GLU 644 Ca -0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1wdm h GLU 644 Cb 1.06 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1wdm h GLU 644 CO 0.06 -0.53 0.09 -0.25 -1.00 0.00 0.00 179.01 177.38 1wdm n ASP 645 N -5.48 0.38 0.00 1.42 8.00 0.90 -4.78 116.55 116.98 1wdm n ASP 645 Ca -0.11 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1wdm n ASP 645 Cb 0.38 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.32 0.70 0.30 0.44 0.00 -0.67 -4.94 105.19 99.71 1wdm n GLY 646 Ca -0.01 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 1.04 -4.09 -0.61 5.03 -0.78 -3.40 117.51 114.70 1wdm h ILE 647 Ca 0.00 -0.13 -0.52 0.00 -0.12 0.00 0.00 64.86 64.10 1wdm h ILE 647 Cb 0.00 0.63 -0.30 0.00 -3.03 0.00 0.00 36.82 34.12 1wdm h ILE 647 CO 0.00 0.07 -0.82 -0.69 -0.68 0.00 0.00 178.15 176.03 1wdm s VAL 648 N -5.36 1.23 0.03 1.67 1.01 -1.14 -1.44 120.40 116.40 1wdm s VAL 648 Ca -0.07 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1wdm s VAL 648 Cb 0.18 -1.04 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 1wdm s VAL 648 CO 0.72 0.35 1.21 -0.08 0.00 0.00 0.00 175.10 177.30 1wdm h GLU 649 N 5.99 -0.61 -6.22 2.72 4.81 -1.84 -3.43 114.58 116.00 1wdm h GLU 649 Ca -0.34 0.04 -0.51 0.00 -0.13 0.00 0.00 59.36 58.41 1wdm h GLU 649 Cb 1.16 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1wdm h GLU 649 CO 0.48 -0.41 -0.29 0.95 -0.73 0.00 0.00 179.01 179.02 1wdm s THR 650 N -4.29 2.26 0.01 0.32 -4.23 -1.26 -5.03 115.64 103.42 1wdm s THR 650 Ca -0.09 -1.29 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 1wdm s THR 650 Cb 0.01 -2.55 -0.22 0.00 1.34 0.00 0.00 72.50 71.08 1wdm s THR 650 CO 0.28 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.48 1wdm h ALA 651 N 0.73 0.09 -0.93 3.99 0.00 -1.94 -2.99 119.26 118.21 1wdm h ALA 651 Ca -0.37 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.13 1wdm h ALA 651 Cb 1.28 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1wdm h ALA 651 CO 0.53 0.32 0.55 0.00 0.00 0.00 0.00 179.25 180.65 1wdm h ALA 652 N 0.35 1.42 0.70 0.00 0.00 -1.95 0.20 119.26 119.97 1wdm h ALA 652 Ca -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wdm h ALA 652 Cb 1.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wdm h ALA 652 CO 0.11 0.07 -0.34 0.93 0.00 0.00 0.00 179.25 180.02 1wdm h GLU 653 N 0.81 -0.91 -0.25 0.00 5.08 -1.93 -0.28 114.58 117.11 1wdm h GLU 653 Ca 0.49 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.98 1wdm h GLU 653 Cb 0.59 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1wdm h GLU 653 CO -0.31 -0.61 0.29 0.00 -1.00 0.00 0.00 179.01 177.38 1wdm h ALA 654 N -1.43 1.88 0.25 3.43 0.00 -1.34 0.35 119.26 122.40 1wdm h ALA 654 Ca -0.10 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.46 1wdm h ALA 654 Cb 0.72 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.57 1wdm h ALA 654 CO 0.16 -0.42 -1.53 0.22 0.00 0.00 0.00 179.25 177.68 1wdm h ASP 655 N 0.00 0.81 0.95 0.00 3.58 -0.80 -3.27 116.42 117.68 1wdm h ASP 655 Ca 0.12 -0.92 -0.10 0.00 0.42 0.00 0.00 57.03 56.54 1wdm h ASP 655 Cb 0.70 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1wdm h ASP 655 CO -0.00 1.73 -0.47 0.24 -2.88 0.00 0.00 179.24 177.86 1wdm h MET 656 N 0.14 0.00 0.00 0.28 2.86 0.57 -2.77 114.93 116.01 1wdm h MET 656 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1wdm h MET 656 Cb 2.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.82 1wdm h MET 656 CO 0.26 0.47 0.05 0.78 1.06 0.00 0.00 176.91 179.53 1wdm h GLY 657 N 2.37 0.00 0.00 8.32 0.00 -0.43 -1.80 103.07 111.52 1wdm h GLY 657 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.91 1wdm h GLY 657 CO 0.06 0.00 -2.31 1.04 0.00 0.00 0.00 176.54 175.34 1wdm n LEU 658 N -2.61 1.94 -0.35 3.11 4.77 -1.06 -3.10 117.00 119.70 1wdm n LEU 658 Ca -0.02 0.35 0.32 0.00 -0.03 0.00 0.00 56.01 56.63 1wdm n LEU 658 Cb 0.10 -0.84 0.67 0.00 -2.33 0.00 0.00 43.42 41.02 1wdm n LEU 658 CO 0.14 0.49 1.29 0.58 -1.33 0.00 0.00 177.39 178.56 1wdm h VAL 659 N -1.00 0.40 0.03 4.08 2.07 -1.25 0.25 116.25 120.83 1wdm h VAL 659 Ca -0.63 -0.05 -0.35 0.00 0.82 0.00 0.00 66.70 66.50 1wdm h VAL 659 Cb 1.54 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1wdm h VAL 659 CO -0.38 0.02 -1.96 -1.22 0.02 0.00 0.00 177.57 174.06 1wdm n TYR 660 N -4.36 0.67 -0.02 1.57 0.53 -0.72 -4.01 117.16 110.82 1wdm n TYR 660 Ca 0.27 0.22 -0.22 0.00 -1.02 0.00 0.00 57.90 57.16 1wdm n TYR 660 Cb 1.18 -1.08 -0.13 0.00 -1.03 0.00 0.00 39.34 38.28 1wdm n TYR 660 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1wdm h GLY 661 N 0.01 0.22 0.92 2.72 0.00 -1.37 -3.38 103.07 102.20 1wdm h GLY 661 Ca -0.49 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.26 1wdm h GLY 661 CO -0.17 0.50 -0.68 4.51 0.00 0.00 0.00 176.54 180.70 1wdm n ILE 662 N -3.86 0.15 -2.75 2.60 3.06 0.68 -4.97 119.36 114.27 1wdm n ILE 662 Ca -0.30 -0.14 -0.09 0.00 -2.50 0.00 0.00 62.75 59.72 1wdm n ILE 662 Cb 0.91 0.15 0.02 0.00 0.54 0.00 0.00 39.64 41.27 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 1.42 0.31 3.74 4.50 0.00 -0.14 -4.95 105.19 110.07 1wdm n GLY 663 Ca 0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.57 2.76 -1.63 1.61 7.35 -1.19 -4.49 117.46 118.30 1wdm n PHE 664 Ca -0.02 0.36 -0.54 0.00 -0.76 0.00 0.00 57.45 56.50 1wdm n PHE 664 Cb 0.53 -2.54 -0.06 0.00 0.35 0.00 0.00 39.48 37.76 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 1.48 1.15 0.10 -7.13 -0.02 -1.26 -4.69 135.00 124.62 1wdm n PRO 665 Ca 0.06 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1wdm n PRO 665 Cb 0.37 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 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 5.44 -0.20 0.00 2.45 3.38 -1.88 -2.90 115.31 121.59 1wdm h LEU 666 Ca -0.47 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1wdm h LEU 666 Cb 1.33 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1wdm h LEU 666 CO 0.84 0.06 0.00 2.22 0.09 0.00 0.00 178.44 181.65 1wdm n PHE 667 N -5.09 0.00 0.29 1.13 1.16 -1.26 0.39 117.46 114.08 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 0.20 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.09 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 0.68 0.00 3.97 1.74 -1.10 -4.38 116.66 116.70 1wdm n ARG 668 Ca 0.00 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 1wdm n ARG 668 Cb 0.00 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.50 0.97 0.00 -0.13 0.00 0.16 -4.02 105.19 102.68 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 -0.19 0.12 -0.02 0.00 -1.26 -4.86 105.19 98.98 1wdm n GLY 670 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.04 -0.13 4.61 0.00 -1.87 0.16 119.26 121.99 1wdm h ALA 671 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1wdm h ALA 671 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wdm h ALA 671 CO 0.00 -0.55 -0.15 -0.07 0.00 0.00 0.00 179.25 178.48 1wdm h LEU 672 N -0.10 0.35 -1.07 0.00 3.38 -1.93 -2.90 115.31 113.04 1wdm h LEU 672 Ca 0.04 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1wdm h LEU 672 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wdm h LEU 672 CO -0.11 0.77 0.00 -0.09 0.09 0.00 0.00 178.44 179.11 1wdm h ARG 673 N -0.07 0.00 -0.07 1.13 2.43 -1.84 -0.28 114.38 115.67 1wdm h ARG 673 Ca 0.02 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 1wdm h ARG 673 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1wdm h ARG 673 CO 0.04 0.00 -0.73 -0.92 -1.51 0.00 0.00 179.97 176.85 1wdm h TYR 674 N 0.00 0.52 0.02 2.20 3.20 -0.47 -1.45 116.97 120.98 1wdm h TYR 674 Ca 0.00 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 1wdm h TYR 674 Cb 0.27 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1wdm h TYR 674 CO 0.00 0.98 -0.01 0.82 -1.64 0.00 0.00 178.16 178.31 1wdm h ILE 675 N 0.26 1.31 -0.11 1.81 2.04 -0.98 -2.30 117.51 119.54 1wdm h ILE 675 Ca -0.03 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 64.85 1wdm h ILE 675 Cb 1.30 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1wdm h ILE 675 CO 0.12 0.26 0.11 0.44 0.00 0.00 0.00 178.15 179.08 1wdm h ASP 676 N -0.46 0.00 0.20 1.72 5.19 -1.37 0.39 116.42 122.08 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 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1wdm h ASP 676 CO 0.00 0.00 -0.09 0.28 -3.12 0.00 0.00 179.24 176.31 1wdm h SER 677 N 0.00 -0.22 -0.40 6.45 0.02 -1.01 -3.32 113.55 115.07 1wdm h SER 677 Ca 0.05 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 1wdm h SER 677 Cb 0.27 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1wdm h SER 677 CO -0.00 0.29 0.05 0.40 -1.14 0.00 0.00 176.83 176.43 1wdm h ILE 678 N -0.86 1.25 0.00 3.27 2.04 -0.84 -3.48 117.51 118.88 1wdm h ILE 678 Ca -0.03 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1wdm h ILE 678 Cb 0.51 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1wdm h ILE 678 CO 0.04 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1wdm n GLY 679 N -0.47 3.08 0.32 5.37 0.00 0.13 -4.74 105.19 108.88 1wdm n GLY 679 Ca -0.01 -0.64 0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.23 0.18 1.61 2.07 -1.83 1.05 116.25 119.57 1wdm h VAL 680 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 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 0.03 -0.09 0.00 0.02 0.00 0.00 177.57 177.53 1wdm h ALA 681 N 1.84 -0.25 -0.05 1.67 0.00 -1.91 -2.54 119.26 118.02 1wdm h ALA 681 Ca 0.59 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1wdm h ALA 681 Cb 1.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wdm h ALA 681 CO -0.72 -0.38 0.06 0.93 0.00 0.00 0.00 179.25 179.15 1wdm h GLU 682 N -0.77 0.00 -0.03 0.00 3.07 -1.39 -1.68 114.58 113.78 1wdm h GLU 682 Ca -0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1wdm h GLU 682 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1wdm h GLU 682 CO 0.04 0.00 -0.10 0.35 -1.40 0.00 0.00 179.01 177.91 1wdm h PHE 683 N 0.00 0.16 -0.25 4.33 3.57 0.11 -1.86 116.94 123.00 1wdm h PHE 683 Ca 0.03 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1wdm h PHE 683 Cb 0.15 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1wdm h PHE 683 CO 0.00 0.71 0.00 0.28 -2.23 0.00 0.00 178.31 177.08 1wdm h VAL 684 N -0.44 0.82 0.01 1.41 2.07 -0.89 0.91 116.25 120.14 1wdm h VAL 684 Ca -0.00 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1wdm h VAL 684 Cb 0.72 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1wdm h VAL 684 CO 0.02 0.01 -0.14 0.00 0.02 0.00 0.00 177.57 177.49 1wdm h ALA 685 N 1.22 -0.17 -0.79 1.67 0.00 -1.43 0.02 119.26 119.79 1wdm h ALA 685 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1wdm h ALA 685 Cb 0.15 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1wdm h ALA 685 CO -0.20 -0.63 0.51 1.25 0.00 0.00 0.00 179.25 180.18 1wdm h LEU 686 N -0.24 0.65 -0.86 0.00 6.46 -0.92 0.02 115.31 120.42 1wdm h LEU 686 Ca 0.04 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.70 1wdm h LEU 686 Cb 0.29 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1wdm h LEU 686 CO -0.13 0.38 -0.48 0.00 -0.62 0.00 0.00 178.44 177.60 1wdm h ALA 687 N 1.60 1.03 -0.15 1.25 0.00 0.19 -2.94 119.26 120.24 1wdm h ALA 687 Ca 0.36 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1wdm h ALA 687 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1wdm h ALA 687 CO -0.14 0.64 -0.35 -0.44 0.00 0.00 0.00 179.25 178.96 1wdm h ASP 688 N 0.17 0.31 -0.01 0.00 3.32 0.89 -2.53 116.42 118.57 1wdm h ASP 688 Ca 0.01 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1wdm h ASP 688 Cb 0.91 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1wdm h ASP 688 CO 0.07 0.64 0.01 1.56 -1.72 0.00 0.00 179.24 179.80 1wdm h GLN 689 N 0.26 0.00 -0.26 3.56 4.20 -1.26 0.11 115.11 121.73 1wdm h GLN 689 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1wdm h GLN 689 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1wdm h GLN 689 CO 0.06 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.88 1wdm n TYR 690 N -3.99 0.33 -0.44 2.96 4.02 -0.98 -4.56 117.16 114.51 1wdm n TYR 690 Ca -0.03 -0.20 0.36 0.00 -0.01 0.00 0.00 57.90 58.03 1wdm n TYR 690 Cb 0.09 -0.00 0.66 0.00 -0.02 0.00 0.00 39.34 40.07 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 3.85 2.84 0.00 -0.72 0.00 -0.64 0.56 119.26 125.15 1wdm h ALA 691 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wdm h ALA 691 Cb 0.87 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wdm h ALA 691 CO 0.00 -1.38 0.00 -0.85 0.00 0.00 0.00 179.25 177.02 1wdm n GLU 692 N -4.51 0.11 0.07 0.00 -0.00 -1.26 -2.55 120.64 112.49 1wdm n GLU 692 Ca 0.34 0.22 -0.10 0.00 -0.00 0.00 0.00 57.16 57.63 1wdm n GLU 692 Cb 1.38 -1.50 -0.13 0.00 -0.00 0.00 0.00 31.44 31.19 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 0.12 0.00 -1.84 3.38 -0.23 -3.50 115.31 113.24 1wdm h LEU 693 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1wdm h LEU 693 Cb 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wdm h LEU 693 CO 0.00 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.24 1wdm n GLY 694 N 1.41 3.11 0.09 0.83 0.00 -1.06 -4.90 105.19 104.67 1wdm n GLY 694 Ca -0.03 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.36 0.75 0.21 4.61 0.00 -1.26 -0.16 120.51 123.31 1wdm n ALA 695 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1wdm n ALA 695 Cb 0.00 -0.87 0.39 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.60 0.00 3.38 -1.91 -3.01 115.31 111.18 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 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wdm h LEU 696 CO 0.00 0.23 0.00 -1.22 0.09 0.00 0.00 178.44 177.54 1wdm n TYR 697 N -3.31 0.66 -2.91 1.13 4.02 0.77 -4.54 117.16 112.98 1wdm n TYR 697 Ca 0.01 -0.40 -0.43 0.00 -0.01 0.00 0.00 57.90 57.06 1wdm n TYR 697 Cb 0.47 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 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 0.96 -0.72 3.76 -1.14 -4.62 115.29 115.34 1wdm s HIS 698 Ca 0.37 0.14 -0.13 0.00 -0.15 0.00 0.00 55.06 55.29 1wdm s HIS 698 Cb 0.20 -3.82 0.01 0.00 1.11 0.00 0.00 32.58 30.09 1wdm s HIS 698 CO 0.27 -1.10 0.24 -2.30 -0.85 0.00 0.00 174.74 171.00 1wdm n PRO 699 N 6.96 -0.25 -3.17 8.40 -0.02 -1.26 -4.97 135.00 140.70 1wdm n PRO 699 Ca 0.03 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.17 1wdm n PRO 699 Cb 0.48 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.34 4.92 0.24 3.45 -4.23 -1.26 -4.96 115.64 111.46 1wdm s THR 700 Ca 0.54 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1wdm s THR 700 Cb -0.21 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.14 1wdm s THR 700 CO 0.70 -0.36 1.87 0.00 -0.54 0.00 0.00 174.62 176.28 1wdm h ALA 701 N 1.65 1.20 0.00 3.99 0.00 -2.00 -0.79 119.26 123.31 1wdm h ALA 701 Ca -0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1wdm h ALA 701 Cb 1.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wdm h ALA 701 CO 0.66 0.35 -0.21 -0.22 0.00 0.00 0.00 179.25 179.83 1wdm h LYS 702 N 1.05 0.00 0.23 0.00 1.63 -2.00 -2.69 116.57 114.79 1wdm h LYS 702 Ca 0.37 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 1wdm h LYS 702 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1wdm h LYS 702 CO -0.15 0.21 -0.11 1.25 -3.45 0.00 0.00 179.45 177.19 1wdm h LEU 703 N 0.00 -0.26 -1.47 5.20 6.46 -1.56 -2.92 115.31 120.76 1wdm h LEU 703 Ca -0.00 -0.19 0.30 0.00 -0.12 0.00 0.00 57.88 57.87 1wdm h LEU 703 Cb 0.43 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.34 1wdm h LEU 703 CO 0.03 0.25 0.72 0.03 -0.62 0.00 0.00 178.44 178.84 1wdm h ARG 704 N -0.99 0.29 0.48 1.25 3.08 -1.28 0.16 114.38 117.36 1wdm h ARG 704 Ca -0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1wdm h ARG 704 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1wdm h ARG 704 CO 0.05 0.19 -0.23 1.49 -1.07 0.00 0.00 179.97 180.40 1wdm h GLU 705 N 0.29 -0.62 0.00 0.04 4.81 -1.49 -2.35 114.58 115.26 1wdm h GLU 705 Ca 0.62 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1wdm h GLU 705 Cb 1.75 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.27 1wdm h GLU 705 CO -0.27 -0.41 -0.00 0.00 -0.73 0.00 0.00 179.01 177.59 1wdm h MET 706 N -0.76 0.00 0.00 1.92 -0.00 -1.18 0.45 114.93 115.36 1wdm h MET 706 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.60 1wdm h MET 706 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.09 1wdm h MET 706 CO 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 176.91 176.88 1wdm h ALA 707 N 2.00 1.02 0.02 -3.00 0.00 -0.56 0.49 119.26 119.23 1wdm h ALA 707 Ca -0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 1wdm h ALA 707 Cb 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1wdm h ALA 707 CO 0.00 0.18 -2.14 1.63 0.00 0.00 0.00 179.25 178.91 1wdm n LYS 708 N -3.29 0.67 -0.08 0.00 5.02 0.14 -4.10 118.16 116.53 1wdm n LYS 708 Ca 0.00 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.45 1wdm n LYS 708 Cb 0.39 -1.63 0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1wdm n LYS 708 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wdm n ASN 709 N -3.01 1.07 -1.04 4.39 3.02 -0.29 -4.84 115.26 114.55 1wdm n ASN 709 Ca -0.30 -2.06 -0.13 0.00 -0.03 0.00 0.00 54.58 52.06 1wdm n ASN 709 Cb 1.09 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.35 1.28 3.81 7.41 0.00 -1.13 -4.95 105.19 111.96 1wdm n GLY 710 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.14 2.76 -0.03 1.61 -0.21 0.15 -5.03 119.66 115.77 1wdm s GLN 711 Ca 0.00 1.00 -0.14 0.00 0.02 0.00 0.00 55.36 56.24 1wdm s GLN 711 Cb 0.00 -1.97 0.02 0.00 1.00 0.00 0.00 33.01 32.07 1wdm s GLN 711 CO 0.00 -1.24 0.30 -1.54 -2.12 0.00 0.00 175.29 170.70 1wdm s SER 712 N -3.70 -0.21 0.09 5.90 1.04 -1.26 -4.62 113.70 110.94 1wdm s SER 712 Ca 0.59 0.17 -0.34 0.00 0.48 0.00 0.00 55.95 56.84 1wdm s SER 712 Cb -0.15 0.37 -0.16 0.00 0.10 0.00 0.00 66.02 66.18 1wdm s SER 712 CO 0.55 -0.39 1.58 -0.26 0.98 0.00 0.00 173.24 175.71 1wdm h PHE 713 N 4.19 -1.24 -0.01 5.02 -1.00 -1.98 -3.26 116.94 118.66 1wdm h PHE 713 Ca -0.29 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1wdm h PHE 713 Cb 1.18 0.48 0.00 0.00 3.61 0.00 0.00 35.95 41.22 1wdm h PHE 713 CO 0.51 -0.62 -0.49 1.19 -1.61 0.00 0.00 178.31 177.28 1wdm n PHE 714 N -5.54 0.00 0.05 -0.55 3.01 -1.26 -5.00 117.46 108.16 1wdm n PHE 714 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1wdm n PHE 714 Cb 0.44 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.93 1wdm n PHE 714 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18