#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s ARG 4 N 0.00 4.03 -0.30 -0.72 1.81 -1.26 -3.11 118.95 119.41 2wdj s ARG 4 Ca 0.00 0.98 0.00 0.00 -1.72 0.00 0.00 55.73 54.99 2wdj s ARG 4 Cb 0.00 -2.17 0.19 0.00 -0.45 0.00 0.00 34.95 32.52 2wdj s ARG 4 CO 0.00 -0.17 0.64 -1.17 -0.68 0.00 0.00 175.30 173.92 2wdj s LEU 5 N -3.74 -1.38 -0.50 2.53 0.20 -1.21 -4.97 118.68 109.62 2wdj s LEU 5 Ca 0.59 0.62 -0.04 0.00 0.69 0.00 0.00 54.13 56.00 2wdj s LEU 5 Cb -0.10 2.06 -0.06 0.00 -0.43 0.00 0.00 46.19 47.66 2wdj s LEU 5 CO 0.25 -0.26 1.87 0.29 -0.29 0.00 0.00 176.35 178.21 2wdj n LYS 6 N 5.42 1.41 -1.71 1.98 4.01 -1.26 -2.01 118.16 125.99 2wdj n LYS 6 Ca 0.01 -1.00 -0.31 0.00 -0.51 0.00 0.00 58.31 56.49 2wdj n LYS 6 Cb 0.52 -2.16 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 2wdj n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wdj s ALA 7 N 3.26 1.55 1.00 7.82 0.00 -1.24 -4.77 121.76 129.38 2wdj s ALA 7 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2wdj s ALA 7 Cb 0.10 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2wdj s ALA 7 CO -0.02 -4.68 0.00 0.66 0.00 0.00 0.00 175.76 171.72 2wdj n TYR 8 N 15.64 -1.23 -3.97 0.00 4.02 -0.83 -4.27 117.16 126.52 2wdj n TYR 8 Ca 0.36 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.90 2wdj n TYR 8 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.69 2wdj n TYR 8 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2wdj s TYR 9 N -0.26 3.13 -0.46 -0.72 1.51 -1.26 -3.93 117.35 115.35 2wdj s TYR 9 Ca 0.00 -1.76 -0.17 0.00 -1.01 0.00 0.00 57.07 54.13 2wdj s TYR 9 Cb 0.00 -2.04 0.05 0.00 -0.11 0.00 0.00 41.96 39.85 2wdj s TYR 9 CO 0.00 -0.78 0.48 0.50 -1.11 0.00 0.00 175.55 174.65 2wdj s ARG 10 N 1.27 3.07 0.02 -0.62 3.52 -0.78 -4.90 118.95 120.53 2wdj s ARG 10 Ca -0.02 -0.95 -0.22 0.00 -0.13 0.00 0.00 55.73 54.41 2wdj s ARG 10 Cb -0.18 -4.05 -0.16 0.00 -1.56 0.00 0.00 34.95 29.00 2wdj s ARG 10 CO -0.04 -1.01 1.33 0.93 -0.81 0.00 0.00 175.30 175.69 2wdj h GLU 11 N 8.82 0.26 0.00 5.12 3.07 -1.94 -3.39 114.58 126.52 2wdj h GLU 11 Ca -0.27 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2wdj h GLU 11 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2wdj h GLU 11 CO 0.87 0.67 0.00 0.41 -1.40 0.00 0.00 179.01 179.56 2wdj n GLY 12 N 0.19 -0.12 0.00 -3.84 0.00 -1.26 -5.01 105.19 95.15 2wdj n GLY 12 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2wdj n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdj n GLU 13 N 0.00 3.52 -2.94 1.61 -0.58 -1.26 -4.97 120.64 116.01 2wdj n GLU 13 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 2wdj n GLU 13 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2wdj n GLU 13 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wdj s LYS 14 N 2.24 3.28 0.00 3.49 3.01 -1.26 -4.85 119.74 125.64 2wdj s LYS 14 Ca 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 55.97 53.67 2wdj s LYS 14 Cb 0.00 -4.48 0.00 0.00 -1.01 0.00 0.00 37.83 32.34 2wdj s LYS 14 CO 0.00 -1.74 0.77 -2.30 0.51 0.00 0.00 175.35 172.59 2wdj n PRO 15 N 6.96 0.00 -0.03 -1.68 -0.02 -1.26 0.23 135.00 139.19 2wdj n PRO 15 Ca 0.05 0.28 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 2wdj n PRO 15 Cb 0.46 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.12 2wdj n PRO 15 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wdj n SER 16 N -1.27 0.46 0.01 2.55 3.41 -1.26 -3.92 113.62 113.61 2wdj n SER 16 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2wdj n SER 16 Cb 0.19 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 2wdj n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdj n ALA 17 N -2.54 1.99 0.37 7.33 0.00 0.62 -3.46 120.51 124.82 2wdj n ALA 17 Ca -0.19 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 2wdj n ALA 17 Cb 0.97 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 2wdj n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdj h LEU 18 N 0.00 -0.83 -1.66 0.00 3.38 -1.07 -2.11 115.31 113.03 2wdj h LEU 18 Ca -0.19 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.15 2wdj h LEU 18 Cb 1.59 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 42.47 2wdj h LEU 18 CO 0.04 -0.46 0.84 0.03 0.09 0.00 0.00 178.44 178.98 2wdj h ARG 19 N -1.21 0.15 0.00 1.13 3.08 -1.65 0.62 114.38 116.50 2wdj h ARG 19 Ca -0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2wdj h ARG 19 Cb 0.76 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2wdj h ARG 19 CO 0.16 0.10 0.00 0.54 -1.07 0.00 0.00 179.97 179.70 2wdj n ARG 20 N -4.42 0.00 -0.27 0.04 1.74 -0.81 -3.49 116.66 109.45 2wdj n ARG 20 Ca 0.30 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.46 2wdj n ARG 20 Cb 1.23 -0.39 0.22 0.00 -1.02 0.00 0.00 32.46 32.50 2wdj n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdj h ALA 21 N -2.17 1.03 0.00 7.54 0.00 -1.46 -3.45 119.26 120.76 2wdj h ALA 21 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wdj h ALA 21 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wdj h ALA 21 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2wdj n GLY 22 N -1.38 3.06 0.00 0.00 0.00 0.21 -5.12 105.19 101.97 2wdj n GLY 22 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdj n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 23 N 0.00 0.00 -2.52 1.61 4.76 -0.88 -4.70 118.16 116.42 2wdj n LYS 23 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 2wdj n LYS 23 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 2wdj n LYS 23 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2wdj n LEU 24 N 0.00 7.21 0.00 -0.35 0.00 -1.26 -2.89 117.00 119.70 2wdj n LEU 24 Ca 0.00 -5.30 0.00 0.00 0.00 0.00 0.00 56.01 50.71 2wdj n LEU 24 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 43.42 42.31 2wdj n LEU 24 CO 0.00 2.02 0.00 -2.65 0.00 0.00 0.00 177.39 176.76 2wdj n PRO 25 N -0.17 0.00 -3.78 1.96 -0.02 -1.26 -4.30 135.00 127.44 2wdj n PRO 25 Ca 0.47 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2wdj n PRO 25 Cb 0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.68 2wdj n PRO 25 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdj s GLY 26 N 0.00 -0.06 0.00 -1.23 0.00 -1.10 -3.25 107.32 101.68 2wdj s GLY 26 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.49 2wdj s GLY 26 CO 0.00 -0.48 -0.13 0.54 0.00 0.00 0.00 173.10 173.04 2wdj s VAL 27 N -3.28 1.01 -0.00 1.40 0.11 -0.90 -1.33 120.40 117.40 2wdj s VAL 27 Ca 0.00 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2wdj s VAL 27 Cb 0.02 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2wdj s VAL 27 CO -0.08 0.19 -0.05 0.00 -3.33 0.00 0.00 175.10 171.83 2wdj s MET 28 N -0.54 2.61 0.29 1.54 0.23 -0.41 0.13 119.30 123.15 2wdj s MET 28 Ca 0.04 -0.69 -0.16 0.00 -1.03 0.00 0.00 55.69 53.85 2wdj s MET 28 Cb -0.06 -2.54 0.02 0.00 -1.53 0.00 0.00 34.83 30.72 2wdj s MET 28 CO 0.00 0.61 0.63 1.52 -2.03 0.00 0.00 175.02 175.75 2wdj s TYR 29 N -1.01 0.15 0.00 3.16 -0.85 0.27 -0.39 117.35 118.68 2wdj s TYR 29 Ca 0.17 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 2wdj s TYR 29 Cb -0.11 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.73 2wdj s TYR 29 CO 0.08 -1.21 0.00 0.27 -1.52 0.00 0.00 175.55 173.16 2wdj n ASN 30 N -0.69 0.00 0.00 -0.18 6.94 -1.13 -0.66 115.26 119.54 2wdj n ASN 30 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 2wdj n ASN 30 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2wdj n ASN 30 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wdj n ARG 31 N 0.00 0.00 0.00 -3.83 1.74 -1.26 -3.56 116.66 109.75 2wdj n ARG 31 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wdj n ARG 31 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2wdj n ARG 31 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2wdj n HIS 32 N -0.84 0.00 -4.69 -1.55 1.44 -1.26 -5.16 115.22 103.15 2wdj n HIS 32 Ca 0.00 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.45 2wdj n HIS 32 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 2wdj n HIS 32 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2wdj s LEU 33 N 0.00 2.16 -0.26 2.39 2.96 -1.23 -5.10 118.68 119.60 2wdj s LEU 33 Ca 0.00 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 2wdj s LEU 33 Cb 0.00 -1.02 0.10 0.00 0.50 0.00 0.00 46.19 45.77 2wdj s LEU 33 CO 0.00 0.18 0.19 0.21 -1.32 0.00 0.00 176.35 175.60 2wdj s ASN 34 N -1.17 2.55 -0.16 3.68 2.47 -1.24 -2.83 114.94 118.25 2wdj s ASN 34 Ca 0.08 -0.90 -0.01 0.00 0.42 0.00 0.00 52.86 52.45 2wdj s ASN 34 Cb -0.09 0.02 0.04 0.00 -1.45 0.00 0.00 41.25 39.77 2wdj s ASN 34 CO 0.02 -0.40 -0.02 -0.13 -3.72 0.00 0.00 177.10 172.85 2wdj s ARG 35 N 2.21 1.11 -0.91 0.43 1.81 0.48 -4.98 118.95 119.10 2wdj s ARG 35 Ca 0.08 -0.40 -0.25 0.00 -1.72 0.00 0.00 55.73 53.44 2wdj s ARG 35 Cb -0.15 -1.87 -0.08 0.00 -0.45 0.00 0.00 34.95 32.40 2wdj s ARG 35 CO -0.29 -0.46 2.07 0.21 -0.68 0.00 0.00 175.30 176.15 2wdj s LYS 36 N 1.74 2.24 0.00 3.54 2.20 -1.26 -1.29 119.74 126.91 2wdj s LYS 36 Ca 0.01 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2wdj s LYS 36 Cb -0.15 -5.00 0.00 0.00 -1.51 0.00 0.00 37.83 31.16 2wdj s LYS 36 CO -0.07 -3.82 0.00 1.33 -0.36 0.00 0.00 175.35 172.43 2wdj n VAL 37 N 8.16 0.00 0.00 4.02 0.24 -0.44 -1.87 118.33 128.44 2wdj n VAL 37 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 2wdj n VAL 37 Cb 0.46 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2wdj n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdj n TYR 38 N -0.23 0.00 -0.21 6.34 0.18 -1.18 -2.72 117.16 119.34 2wdj n TYR 38 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2wdj n TYR 38 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2wdj n TYR 38 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 2wdj n VAL 39 N 0.00 0.00 -4.09 -3.48 0.24 -1.26 -1.97 118.33 107.77 2wdj n VAL 39 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 2wdj n VAL 39 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 2wdj n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdj s ASP 40 N -1.00 0.47 0.00 -1.34 -1.08 -1.26 -4.15 116.67 108.31 2wdj s ASP 40 Ca 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 2wdj s ASP 40 Cb 0.00 -0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.41 2wdj s ASP 40 CO 0.00 0.05 0.00 0.18 0.52 0.00 0.00 175.17 175.92 2wdj n LEU 41 N 2.97 0.00 -0.04 -1.34 4.77 -1.26 -0.69 117.00 121.41 2wdj n LEU 41 Ca -0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.89 2wdj n LEU 41 Cb 0.59 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.74 2wdj n LEU 41 CO 0.25 0.00 0.12 0.55 -1.33 0.00 0.00 177.39 176.99 2wdj n VAL 42 N 0.00 -0.05 0.08 4.08 3.14 -1.26 0.14 118.33 124.47 2wdj n VAL 42 Ca 0.00 0.25 -0.22 0.00 -2.96 0.00 0.00 64.34 61.41 2wdj n VAL 42 Cb 0.00 -0.40 -0.15 0.00 -1.06 0.00 0.00 33.84 32.23 2wdj n VAL 42 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2wdj h GLU 43 N 0.00 0.39 -0.92 1.45 3.07 -2.02 -3.33 114.58 113.22 2wdj h GLU 43 Ca 0.10 -0.67 0.24 0.00 -0.50 0.00 0.00 59.36 58.53 2wdj h GLU 43 Cb 0.25 0.25 -0.13 0.00 -0.84 0.00 0.00 28.75 28.28 2wdj h GLU 43 CO -0.10 1.32 0.42 0.35 -1.40 0.00 0.00 179.01 179.61 2wdj h PHE 44 N -0.16 0.70 -0.01 4.33 3.04 0.36 -0.05 116.94 125.15 2wdj h PHE 44 Ca -0.21 0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.81 2wdj h PHE 44 Cb 1.87 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 40.19 2wdj h PHE 44 CO 0.16 -0.07 -0.13 0.22 -2.02 0.00 0.00 178.31 176.47 2wdj h ASP 45 N 0.39 -0.38 0.03 0.41 -0.00 -1.64 0.77 116.42 115.99 2wdj h ASP 45 Ca 0.60 0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 57.68 2wdj h ASP 45 Cb 1.18 0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 40.67 2wdj h ASP 45 CO -0.55 -0.18 -0.05 0.11 -0.00 0.00 0.00 179.24 178.56 2wdj h LYS 46 N -0.21 -0.09 -0.74 0.28 1.57 -1.14 -2.79 116.57 113.45 2wdj h LYS 46 Ca 0.05 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 2wdj h LYS 46 Cb 0.28 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 2wdj h LYS 46 CO -0.14 -0.06 0.24 -0.24 -0.57 0.00 0.00 179.45 178.69 2wdj h VAL 47 N -0.09 0.59 0.00 0.50 3.04 -1.36 -3.31 116.25 115.61 2wdj h VAL 47 Ca -0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2wdj h VAL 47 Cb 0.09 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 2wdj h VAL 47 CO -0.02 0.06 0.00 0.33 -1.01 0.00 0.00 177.57 176.94 2wdj n PHE 48 N -5.08 0.00 0.00 3.17 -0.00 0.27 -3.38 117.46 112.44 2wdj n PHE 48 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 2wdj n PHE 48 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 2wdj n PHE 48 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2wdj n ARG 49 N 0.00 0.00 0.13 -4.13 0.63 -1.06 0.75 116.66 112.98 2wdj n ARG 49 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 2wdj n ARG 49 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2wdj n ARG 49 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2wdj h GLN 50 N 0.00 -0.34 0.00 -0.14 4.20 -1.70 -3.36 115.11 113.77 2wdj h GLN 50 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2wdj h GLN 50 Cb 0.00 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2wdj h GLN 50 CO 0.00 -0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 2wdj n ALA 51 N -2.48 -0.29 -0.93 3.87 0.00 0.23 -4.88 120.51 116.03 2wdj n ALA 51 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wdj n ALA 51 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2wdj n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wdj n SER 52 N -1.62 -2.02 -3.83 0.00 7.64 -0.94 -3.46 113.62 109.39 2wdj n SER 52 Ca 0.00 0.31 -0.29 0.00 1.01 0.00 0.00 58.87 59.91 2wdj n SER 52 Cb 0.00 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 62.71 2wdj n SER 52 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2wdj n ILE 53 N 1.53 -1.87 0.00 0.44 -0.00 -1.26 -4.61 119.36 113.59 2wdj n ILE 53 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 2wdj n ILE 53 Cb 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 39.64 38.03 2wdj n ILE 53 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2wdj n HIS 54 N -3.31 -1.17 0.00 4.28 8.25 -1.22 -4.87 115.22 117.18 2wdj n HIS 54 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2wdj n HIS 54 Cb 0.40 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2wdj n HIS 54 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wdj n HIS 55 N -1.99 0.00 -3.55 4.41 8.25 -1.24 -4.86 115.22 116.24 2wdj n HIS 55 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2wdj n HIS 55 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 2wdj n HIS 55 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wdj s VAL 56 N 4.84 0.04 0.33 1.59 1.01 -1.26 -4.97 120.40 121.99 2wdj s VAL 56 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2wdj s VAL 56 Cb 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2wdj s VAL 56 CO 0.00 -0.18 0.07 -0.63 0.00 0.00 0.00 175.10 174.36 2wdj s ILE 57 N -3.57 1.06 0.03 2.22 1.01 -1.18 -3.11 121.20 117.66 2wdj s ILE 57 Ca 0.01 -2.00 -0.06 0.00 0.00 0.00 0.00 60.65 58.60 2wdj s ILE 57 Cb 0.01 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2wdj s ILE 57 CO -0.11 0.00 0.11 -0.69 0.00 0.00 0.00 174.94 174.25 2wdj s VAL 58 N -3.31 0.11 -0.12 2.92 1.01 -1.18 -1.53 120.40 118.31 2wdj s VAL 58 Ca 0.34 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2wdj s VAL 58 Cb 0.08 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2wdj s VAL 58 CO 0.15 -0.52 -0.14 -0.76 0.00 0.00 0.00 175.10 173.83 2wdj s LEU 59 N -1.87 1.67 -0.67 3.92 1.43 -1.17 -3.29 118.68 118.71 2wdj s LEU 59 Ca -0.08 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 2wdj s LEU 59 Cb -0.03 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.16 2wdj s LEU 59 CO -0.02 -0.01 1.02 -1.61 0.23 0.00 0.00 176.35 175.95 2wdj s GLU 60 N 1.18 3.14 0.71 1.70 2.02 -0.85 -2.89 118.70 123.70 2wdj s GLU 60 Ca -0.03 -0.70 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 2wdj s GLU 60 Cb -0.14 -4.21 0.02 0.00 0.10 0.00 0.00 34.13 29.90 2wdj s GLU 60 CO -0.05 -1.86 1.09 -0.51 0.02 0.00 0.00 175.26 173.96 2wdj s LEU 61 N 4.36 3.19 0.01 1.80 1.43 -1.04 -3.73 118.68 124.70 2wdj s LEU 61 Ca 0.25 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2wdj s LEU 61 Cb -0.15 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.58 2wdj s LEU 61 CO 0.12 -1.75 1.02 -0.81 0.23 0.00 0.00 176.35 175.16 2wdj n PRO 62 N -3.00 0.00 -1.52 1.29 -0.04 -1.26 -0.03 135.00 130.43 2wdj n PRO 62 Ca 0.09 0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 63.71 2wdj n PRO 62 Cb 0.53 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 2wdj n PRO 62 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdj n ASP 63 N -1.52 7.31 0.00 3.54 8.00 -1.26 -4.97 116.55 127.65 2wdj n ASP 63 Ca 0.00 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.71 2wdj n ASP 63 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2wdj n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdj n GLY 64 N -0.83 -0.02 0.00 0.44 0.00 0.95 -4.85 105.19 100.88 2wdj n GLY 64 Ca 0.59 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.96 2wdj n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLN 65 N 0.00 0.00 -3.19 1.61 10.64 -1.26 -3.39 117.38 121.79 2wdj n GLN 65 Ca 0.00 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.96 2wdj n GLN 65 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 2wdj n GLN 65 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2wdj s SER 66 N 0.00 5.86 0.01 2.61 0.01 -1.26 -2.50 113.70 118.44 2wdj s SER 66 Ca 0.00 0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 2wdj s SER 66 Cb 0.00 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 2wdj s SER 66 CO 0.00 -0.60 0.03 -0.76 0.41 0.00 0.00 173.24 172.32 2wdj s LEU 67 N -4.38 1.98 -1.02 2.44 1.02 -1.14 -4.88 118.68 112.70 2wdj s LEU 67 Ca 0.47 -0.39 -0.20 0.00 0.02 0.00 0.00 54.13 54.03 2wdj s LEU 67 Cb -0.10 0.32 0.09 0.00 0.02 0.00 0.00 46.19 46.52 2wdj s LEU 67 CO 0.35 -0.33 1.34 -2.16 0.02 0.00 0.00 176.35 175.57 2wdj s PRO 68 N -1.43 3.66 0.20 1.29 0.04 -1.26 -3.02 135.00 134.47 2wdj s PRO 68 Ca -0.15 -1.54 0.04 0.00 0.04 0.00 0.00 61.00 59.39 2wdj s PRO 68 Cb -0.09 -5.17 -0.03 0.00 0.04 0.00 0.00 34.50 29.24 2wdj s PRO 68 CO -0.00 -2.01 0.29 0.95 0.04 0.00 0.00 177.00 176.27 2wdj s THR 69 N 3.77 5.09 -0.17 1.26 -4.23 -0.58 0.14 115.64 120.92 2wdj s THR 69 Ca 0.41 -0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.86 2wdj s THR 69 Cb -0.02 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.18 2wdj s THR 69 CO -0.08 -0.22 0.43 -0.76 -0.54 0.00 0.00 174.62 173.45 2wdj s LEU 70 N -3.59 0.04 0.34 4.79 1.43 -1.17 -3.10 118.68 117.42 2wdj s LEU 70 Ca 0.34 0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 54.07 2wdj s LEU 70 Cb -0.10 1.44 -0.09 0.00 0.03 0.00 0.00 46.19 47.47 2wdj s LEU 70 CO 0.28 -0.18 1.12 0.68 0.23 0.00 0.00 176.35 178.47 2wdj s VAL 71 N 0.97 3.42 0.01 -1.59 -7.23 -1.26 -1.41 120.40 113.31 2wdj s VAL 71 Ca -0.06 1.29 0.00 0.00 -1.81 0.00 0.00 61.98 61.40 2wdj s VAL 71 Cb -0.06 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2wdj s VAL 71 CO -0.08 0.21 0.00 0.54 -0.31 0.00 0.00 175.10 175.46 2wdj n ARG 72 N 0.62 0.00 -3.98 4.82 5.12 -1.21 -4.72 116.66 117.31 2wdj n ARG 72 Ca 0.02 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.82 2wdj n ARG 72 Cb 0.46 -0.28 -0.13 0.00 -1.16 0.00 0.00 32.46 31.36 2wdj n ARG 72 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2wdj s GLN 73 N -2.00 0.25 -0.34 5.56 0.74 -1.26 -5.01 119.66 117.60 2wdj s GLN 73 Ca 0.00 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 2wdj s GLN 73 Cb 0.00 -0.08 0.13 0.00 1.10 0.00 0.00 33.01 34.16 2wdj s GLN 73 CO 0.00 0.01 0.21 0.08 -0.55 0.00 0.00 175.29 175.04 2wdj s VAL 74 N -0.67 0.04 0.99 1.34 1.01 -1.26 -1.58 120.40 120.26 2wdj s VAL 74 Ca -0.06 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 2wdj s VAL 74 Cb -0.05 -1.04 0.17 0.00 0.00 0.00 0.00 36.38 35.46 2wdj s VAL 74 CO -0.00 -0.89 0.98 0.59 0.00 0.00 0.00 175.10 175.78 2wdj n ASN 75 N 4.35 -0.54 -3.92 3.32 3.02 -0.77 -4.92 115.26 115.79 2wdj n ASN 75 Ca 0.08 0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2wdj n ASN 75 Cb 0.39 -1.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.05 2wdj n ASN 75 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wdj s LEU 76 N -5.91 2.06 -1.55 3.41 1.43 -1.26 -3.04 118.68 113.82 2wdj s LEU 76 Ca 0.66 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 2wdj s LEU 76 Cb -0.23 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 2wdj s LEU 76 CO 0.61 -0.05 2.70 -0.67 0.23 0.00 0.00 176.35 179.17 2wdj n ASP 77 N 2.69 7.06 0.00 2.29 -0.08 -0.97 -4.87 116.55 122.68 2wdj n ASP 77 Ca -0.15 -2.65 0.00 0.00 -1.51 0.00 0.00 54.79 50.48 2wdj n ASP 77 Cb 0.58 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.47 2wdj n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2wdj n LYS 78 N 4.44 0.00 -0.92 -0.67 4.76 -1.26 0.11 118.16 124.62 2wdj n LYS 78 Ca 0.69 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 56.02 2wdj n LYS 78 Cb 0.28 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.38 2wdj n LYS 78 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdj n ARG 79 N -2.00 1.75 0.00 1.97 1.85 -1.26 -2.80 116.66 116.17 2wdj n ARG 79 Ca 0.00 -0.95 0.00 0.00 -1.00 0.00 0.00 57.85 55.90 2wdj n ARG 79 Cb 0.00 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 2wdj n ARG 79 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdj n ARG 80 N 1.80 0.00 0.00 2.89 5.12 0.12 -5.11 116.66 121.48 2wdj n ARG 80 Ca 0.30 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 2wdj n ARG 80 Cb 0.72 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.02 2wdj n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2wdj n ARG 81 N 0.00 0.00 0.00 5.56 1.85 -1.01 -4.91 116.66 118.16 2wdj n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2wdj n ARG 81 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2wdj n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2wdj n ARG 82 N 0.53 0.00 -2.04 2.89 0.63 -1.26 -4.99 116.66 112.42 2wdj n ARG 82 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 2wdj n ARG 82 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2wdj n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2wdj s PRO 83 N -1.71 3.80 0.00 -0.14 0.04 -1.26 -2.28 135.00 133.44 2wdj s PRO 83 Ca 0.00 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2wdj s PRO 83 Cb 0.00 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2wdj s PRO 83 CO 0.00 -0.62 0.00 -0.85 0.04 0.00 0.00 177.00 175.57 2wdj n GLU 84 N -0.16 3.95 -3.63 4.56 0.28 -1.17 -4.86 120.64 119.61 2wdj n GLU 84 Ca 0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.02 2wdj n GLU 84 Cb 0.44 -0.52 -0.02 0.00 1.43 0.00 0.00 31.44 32.77 2wdj n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2wdj s HIS 85 N -0.96 -0.05 -0.05 -1.84 5.04 -1.26 -4.50 115.29 111.68 2wdj s HIS 85 Ca 0.00 0.03 -0.19 0.00 -1.54 0.00 0.00 55.06 53.37 2wdj s HIS 85 Cb 0.00 0.50 0.04 0.00 0.04 0.00 0.00 32.58 33.16 2wdj s HIS 85 CO 0.00 -0.07 0.42 0.08 -2.34 0.00 0.00 174.74 172.83 2wdj s VAL 86 N -2.10 0.03 0.05 0.89 1.01 -1.20 -1.85 120.40 117.24 2wdj s VAL 86 Ca 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2wdj s VAL 86 Cb -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2wdj s VAL 86 CO -0.03 -0.15 0.07 1.51 0.00 0.00 0.00 175.10 176.50 2wdj s ASP 87 N -0.99 5.51 -0.21 3.32 3.84 -0.62 -2.12 116.67 125.40 2wdj s ASP 87 Ca -0.10 0.03 0.02 0.00 -0.00 0.00 0.00 52.55 52.49 2wdj s ASP 87 Cb -0.04 -1.50 0.04 0.00 -1.38 0.00 0.00 42.92 40.05 2wdj s ASP 87 CO 0.05 0.21 -0.14 -0.36 -0.00 0.00 0.00 175.17 174.93 2wdj s PHE 88 N -1.30 2.80 -1.09 2.11 2.99 0.35 -3.32 117.98 120.52 2wdj s PHE 88 Ca 0.26 -1.82 -0.22 0.00 0.00 0.00 0.00 56.93 55.15 2wdj s PHE 88 Cb -0.12 -1.83 0.05 0.00 0.00 0.00 0.00 43.02 41.12 2wdj s PHE 88 CO 0.18 -0.81 1.56 0.12 -0.00 0.00 0.00 175.22 176.28 2wdj s PHE 89 N 1.27 2.54 -0.45 0.36 5.99 -0.50 0.94 117.98 128.13 2wdj s PHE 89 Ca -0.01 -0.94 -0.27 0.00 0.00 0.00 0.00 56.93 55.71 2wdj s PHE 89 Cb -0.16 -4.67 -0.03 0.00 0.00 0.00 0.00 43.02 38.17 2wdj s PHE 89 CO -0.09 -1.88 1.92 0.08 -0.00 0.00 0.00 175.22 175.25 2wdj s VAL 90 N 5.18 3.35 0.25 3.12 1.01 0.17 -3.02 120.40 130.46 2wdj s VAL 90 Ca 0.50 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 2wdj s VAL 90 Cb 0.01 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 2wdj s VAL 90 CO -0.04 -0.54 1.36 0.18 0.00 0.00 0.00 175.10 176.06 2wdj n LEU 91 N 12.02 3.01 0.00 3.92 4.77 0.37 -4.55 117.00 136.54 2wdj n LEU 91 Ca 0.24 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.37 2wdj n LEU 91 Cb 0.50 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 2wdj n LEU 91 CO 0.70 -0.58 0.00 -1.54 -1.33 0.00 0.00 177.39 174.63 2wdj n SER 92 N 1.90 0.37 0.06 -1.43 3.41 -1.26 -4.73 113.62 111.94 2wdj n SER 92 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 2wdj n SER 92 Cb 0.32 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 2wdj n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wdj n ASP 93 N 0.00 0.62 -4.77 4.04 5.75 -1.26 -4.60 116.55 116.33 2wdj n ASP 93 Ca 0.00 0.10 -0.40 0.00 -0.01 0.00 0.00 54.79 54.49 2wdj n ASP 93 Cb 0.00 0.81 -0.03 0.00 -1.03 0.00 0.00 41.12 40.87 2wdj n ASP 93 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wdj s GLU 94 N -3.33 4.39 -0.09 0.11 0.41 -1.26 -4.30 118.70 114.62 2wdj s GLU 94 Ca -0.00 1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 56.14 2wdj s GLU 94 Cb 0.12 -2.98 -0.05 0.00 -1.78 0.00 0.00 34.13 29.44 2wdj s GLU 94 CO 0.81 -0.03 1.63 -1.25 -0.49 0.00 0.00 175.26 175.93 2wdj s PRO 95 N -1.82 4.09 0.35 0.39 0.04 -1.26 -4.34 135.00 132.45 2wdj s PRO 95 Ca 0.50 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.67 2wdj s PRO 95 Cb -0.32 -3.99 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 2wdj s PRO 95 CO 0.42 -0.94 0.22 0.54 0.04 0.00 0.00 177.00 177.27 2wdj s VAL 96 N 4.30 3.18 0.20 -0.36 0.11 -1.04 -4.60 120.40 122.20 2wdj s VAL 96 Ca 0.72 -1.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.12 2wdj s VAL 96 Cb -0.31 -3.06 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 2wdj s VAL 96 CO 0.29 -0.16 0.54 -1.61 -3.33 0.00 0.00 175.10 170.82 2wdj s GLU 97 N -3.92 3.84 -0.30 1.54 2.02 -1.25 -1.81 118.70 118.82 2wdj s GLU 97 Ca 0.40 0.32 -0.18 0.00 0.02 0.00 0.00 54.97 55.53 2wdj s GLU 97 Cb -0.04 -2.75 0.19 0.00 0.10 0.00 0.00 34.13 31.63 2wdj s GLU 97 CO 0.24 0.38 1.21 0.00 0.02 0.00 0.00 175.26 177.11 2wdj s MET 98 N -2.53 0.10 0.24 1.61 0.23 0.36 -4.88 119.30 114.43 2wdj s MET 98 Ca 0.44 0.25 -0.31 0.00 -1.03 0.00 0.00 55.69 55.04 2wdj s MET 98 Cb -0.12 0.15 -0.13 0.00 -1.53 0.00 0.00 34.83 33.20 2wdj s MET 98 CO 0.20 -0.04 1.47 0.66 -2.03 0.00 0.00 175.02 175.29 2wdj n TYR 99 N 4.71 2.32 -5.26 3.16 0.53 -1.26 -3.01 117.16 118.36 2wdj n TYR 99 Ca -0.07 0.37 -0.32 0.00 -1.02 0.00 0.00 57.90 56.86 2wdj n TYR 99 Cb 0.55 -2.50 -0.17 0.00 -1.03 0.00 0.00 39.34 36.19 2wdj n TYR 99 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 2wdj s VAL 100 N 0.12 2.06 0.28 -0.72 -7.23 -0.14 -4.62 120.40 110.15 2wdj s VAL 100 Ca 0.69 -1.06 -0.26 0.00 -1.81 0.00 0.00 61.98 59.54 2wdj s VAL 100 Cb -0.62 -1.74 -0.16 0.00 0.56 0.00 0.00 36.38 34.42 2wdj s VAL 100 CO 0.47 0.57 0.49 -2.65 -0.31 0.00 0.00 175.10 173.68 2wdj n PRO 101 N 3.03 0.24 -4.14 4.82 -0.02 -1.26 -2.96 135.00 134.71 2wdj n PRO 101 Ca -0.18 0.08 -0.27 0.00 -2.02 0.00 0.00 63.50 61.12 2wdj n PRO 101 Cb 0.52 -1.17 -0.05 0.00 -0.02 0.00 0.00 33.50 32.79 2wdj n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wdj s LEU 102 N 2.82 2.80 -0.19 2.45 1.43 -0.46 -2.77 118.68 124.76 2wdj s LEU 102 Ca 0.62 -1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 2wdj s LEU 102 Cb -0.80 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 44.29 2wdj s LEU 102 CO 0.58 -0.83 0.39 -0.13 0.23 0.00 0.00 176.35 176.59 2wdj s ARG 103 N -4.05 0.29 0.00 1.70 0.52 -1.26 -4.85 118.95 111.30 2wdj s ARG 103 Ca 0.31 0.93 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 2wdj s ARG 103 Cb 0.01 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.66 2wdj s ARG 103 CO 0.18 -0.30 0.04 1.19 0.02 0.00 0.00 175.30 176.44 2wdj n PHE 104 N 5.38 0.00 -0.96 -0.53 3.72 -1.26 -3.13 117.46 120.69 2wdj n PHE 104 Ca -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 2wdj n PHE 104 Cb 0.50 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 2wdj n PHE 104 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2wdj n VAL 105 N -0.30 0.00 0.00 -4.37 3.14 -1.26 -4.37 118.33 111.17 2wdj n VAL 105 Ca 0.00 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2wdj n VAL 105 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wdj n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wdj n GLY 106 N 4.03 4.72 3.87 7.55 0.00 -1.26 -4.02 105.19 120.07 2wdj n GLY 106 Ca 0.16 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 2wdj n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wdj s THR 107 N -1.59 5.00 0.00 2.61 -4.23 -1.25 -4.53 115.64 111.66 2wdj s THR 107 Ca 0.00 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2wdj s THR 107 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2wdj s THR 107 CO 0.00 0.14 0.00 -0.81 -0.54 0.00 0.00 174.62 173.41 2wdj n PRO 108 N 0.46 0.00 -3.55 3.99 -0.04 -1.26 -4.09 135.00 130.52 2wdj n PRO 108 Ca -0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 2wdj n PRO 108 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 2wdj n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdj s ALA 109 N -2.40 -1.94 0.18 0.55 0.00 -1.23 -3.35 121.76 113.57 2wdj s ALA 109 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2wdj s ALA 109 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2wdj s ALA 109 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2wdj n GLY 110 N -0.10 -5.24 2.21 0.00 0.00 -1.26 -4.60 105.19 96.20 2wdj n GLY 110 Ca -0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2wdj n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wdj n VAL 111 N 1.71 1.97 0.00 1.61 3.14 -1.26 -4.87 118.33 120.63 2wdj n VAL 111 Ca 0.00 -3.58 0.00 0.00 -2.96 0.00 0.00 64.34 57.80 2wdj n VAL 111 Cb 0.00 -0.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 2wdj n VAL 111 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wdj n ARG 112 N -0.65 0.00 0.41 1.45 3.00 -1.26 -4.98 116.66 114.63 2wdj n ARG 112 Ca 0.28 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.96 2wdj n ARG 112 Cb 0.90 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.28 2wdj n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdj h ALA 113 N -1.02 -1.28 -1.12 7.54 0.00 -2.03 -3.48 119.26 117.87 2wdj h ALA 113 Ca 0.00 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.92 2wdj h ALA 113 Cb 0.00 0.44 -0.26 0.00 0.00 0.00 0.00 17.79 17.97 2wdj h ALA 113 CO 0.00 -1.21 0.92 0.20 0.00 0.00 0.00 179.25 179.16 2wdj s GLY 114 N -1.79 0.01 -0.20 0.00 0.00 -1.26 -4.87 107.32 99.20 2wdj s GLY 114 Ca -0.16 2.60 -0.32 0.00 0.00 0.00 0.00 44.72 46.84 2wdj s GLY 114 CO 0.48 1.02 1.20 -0.32 0.00 0.00 0.00 173.10 175.47 2wdj s GLY 115 N -1.20 -0.19 -0.32 0.20 0.00 -1.25 -4.43 107.32 100.13 2wdj s GLY 115 Ca 0.08 2.00 0.03 0.00 0.00 0.00 0.00 44.72 46.83 2wdj s GLY 115 CO -0.06 0.78 0.42 0.14 0.00 0.00 0.00 173.10 174.37 2wdj s VAL 116 N -1.81 -0.59 -0.96 1.40 1.01 -1.17 -4.88 120.40 113.39 2wdj s VAL 116 Ca 0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 2wdj s VAL 116 Cb -0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 2wdj s VAL 116 CO -0.04 -0.34 2.13 -0.11 0.00 0.00 0.00 175.10 176.73 2wdj n LEU 117 N 5.00 5.11 0.00 3.92 7.94 -1.26 -2.89 117.00 134.83 2wdj n LEU 117 Ca 0.04 -3.10 0.00 0.00 -1.11 0.00 0.00 56.01 51.84 2wdj n LEU 117 Cb 0.49 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.26 2wdj n LEU 117 CO 0.01 0.47 0.00 1.67 -1.11 0.00 0.00 177.39 178.43 2wdj n GLN 118 N 5.14 0.92 -3.15 1.96 7.27 -1.26 -4.90 117.38 123.36 2wdj n GLN 118 Ca 0.49 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.60 2wdj n GLN 118 Cb 0.24 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.88 2wdj n GLN 118 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2wdj s GLU 119 N -0.10 0.55 0.43 3.69 -1.05 -1.26 -4.46 118.70 116.51 2wdj s GLU 119 Ca 0.00 0.98 0.30 0.00 -0.15 0.00 0.00 54.97 56.10 2wdj s GLU 119 Cb 0.00 0.54 1.44 0.00 -0.44 0.00 0.00 34.13 35.68 2wdj s GLU 119 CO 0.00 -0.60 1.91 0.82 0.95 0.00 0.00 175.26 178.34 2wdj h ILE 120 N 5.97 0.00 -1.73 1.83 1.08 -1.82 -3.42 117.51 119.42 2wdj h ILE 120 Ca -0.23 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 2wdj h ILE 120 Cb 1.16 0.97 -0.25 0.00 -3.07 0.00 0.00 36.82 35.63 2wdj h ILE 120 CO 0.24 0.00 0.30 -2.28 -0.69 0.00 0.00 178.15 175.72 2wdj s HIS 121 N -3.64 -0.67 -1.61 1.37 2.46 -1.26 -5.05 115.29 106.88 2wdj s HIS 121 Ca -0.00 1.48 0.27 0.00 0.47 0.00 0.00 55.06 57.28 2wdj s HIS 121 Cb 0.09 0.39 0.92 0.00 -0.13 0.00 0.00 32.58 33.85 2wdj s HIS 121 CO 0.38 -0.33 1.67 2.89 -2.47 0.00 0.00 174.74 176.88 2wdj n ARG 122 N 3.10 0.67 -3.94 2.88 1.85 -1.26 -4.89 116.66 115.07 2wdj n ARG 122 Ca -0.16 -0.33 -0.10 0.00 -1.00 0.00 0.00 57.85 56.26 2wdj n ARG 122 Cb 0.57 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.46 2wdj n ARG 122 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2wdj s ASP 123 N -2.56 0.08 -0.02 2.89 1.47 -1.26 -1.35 116.67 115.91 2wdj s ASP 123 Ca 0.24 -1.01 0.03 0.00 1.18 0.00 0.00 52.55 53.00 2wdj s ASP 123 Cb 0.19 0.69 -0.00 0.00 -0.34 0.00 0.00 42.92 43.46 2wdj s ASP 123 CO 0.52 -1.34 -0.12 -0.63 0.68 0.00 0.00 175.17 174.28 2wdj s ILE 124 N -3.43 1.00 0.42 2.11 1.01 -1.16 -4.87 121.20 116.28 2wdj s ILE 124 Ca 0.20 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 2wdj s ILE 124 Cb -0.03 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.50 2wdj s ILE 124 CO 0.11 0.29 1.24 -0.22 0.00 0.00 0.00 174.94 176.36 2wdj s LEU 125 N -0.04 4.16 -0.02 2.97 2.96 -1.26 -0.97 118.68 126.48 2wdj s LEU 125 Ca 0.00 2.50 -0.27 0.00 -0.22 0.00 0.00 54.13 56.15 2wdj s LEU 125 Cb -0.08 -4.00 0.06 0.00 0.50 0.00 0.00 46.19 42.67 2wdj s LEU 125 CO 0.00 -0.83 0.59 0.68 -1.32 0.00 0.00 176.35 175.47 2wdj s VAL 126 N -1.35 0.01 0.05 1.68 -7.23 -1.16 -0.28 120.40 112.12 2wdj s VAL 126 Ca 0.58 -0.12 0.03 0.00 -1.81 0.00 0.00 61.98 60.67 2wdj s VAL 126 Cb -0.34 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2wdj s VAL 126 CO 0.43 -0.06 0.02 -0.75 -0.31 0.00 0.00 175.10 174.43 2wdj s LYS 127 N -1.47 2.73 -0.06 4.82 2.20 0.58 0.14 119.74 128.69 2wdj s LYS 127 Ca -0.10 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 2wdj s LYS 127 Cb -0.01 -2.64 0.12 0.00 -1.51 0.00 0.00 37.83 33.78 2wdj s LYS 127 CO 0.07 0.58 1.12 0.54 -0.36 0.00 0.00 175.35 177.30 2wdj s VAL 128 N -1.24 0.00 0.23 4.02 0.11 -0.75 -1.08 120.40 121.70 2wdj s VAL 128 Ca 0.24 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.84 2wdj s VAL 128 Cb -0.12 -1.36 -0.14 0.00 -1.53 0.00 0.00 36.38 33.23 2wdj s VAL 128 CO 0.16 0.00 1.29 -1.54 -3.33 0.00 0.00 175.10 171.67 2wdj n SER 129 N -0.27 2.19 0.03 3.54 3.41 -1.26 -2.49 113.62 118.77 2wdj n SER 129 Ca -0.05 1.15 0.01 0.00 -0.26 0.00 0.00 58.87 59.73 2wdj n SER 129 Cb 0.60 -1.36 0.06 0.00 -0.26 0.00 0.00 64.21 63.25 2wdj n SER 129 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wdj n PRO 130 N 1.69 0.01 -0.12 4.33 -0.04 -1.26 -1.30 135.00 138.31 2wdj n PRO 130 Ca 0.12 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.65 2wdj n PRO 130 Cb 0.30 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2wdj n PRO 130 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2wdj n ARG 131 N -1.40 0.61 -2.16 0.54 1.85 -1.26 -4.87 116.66 109.97 2wdj n ARG 131 Ca -0.00 0.28 -0.43 0.00 -1.00 0.00 0.00 57.85 56.70 2wdj n ARG 131 Cb 0.25 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.08 2wdj n ARG 131 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2wdj s ASN 132 N -7.13 6.19 -0.43 2.89 2.47 -0.42 -4.95 114.94 113.56 2wdj s ASN 132 Ca -0.35 1.21 0.02 0.00 0.42 0.00 0.00 52.86 54.16 2wdj s ASN 132 Cb 0.12 -2.53 0.15 0.00 -1.45 0.00 0.00 41.25 37.53 2wdj s ASN 132 CO 0.55 -1.49 0.27 -0.63 -3.72 0.00 0.00 177.10 172.09 2wdj s ILE 133 N 5.90 0.89 -0.86 -5.21 1.01 -1.26 -4.43 121.20 117.23 2wdj s ILE 133 Ca 0.71 -2.43 -0.26 0.00 0.00 0.00 0.00 60.65 58.66 2wdj s ILE 133 Cb -0.20 -1.62 -0.15 0.00 0.01 0.00 0.00 42.46 40.50 2wdj s ILE 133 CO 0.32 -1.01 2.32 -2.84 0.00 0.00 0.00 174.94 173.74 2wdj s PRO 134 N 0.38 1.54 0.35 2.79 0.02 -1.26 -4.79 135.00 134.03 2wdj s PRO 134 Ca 0.22 0.24 0.30 0.00 0.02 0.00 0.00 61.00 61.78 2wdj s PRO 134 Cb -0.16 -4.84 1.12 0.00 0.02 0.00 0.00 34.50 30.63 2wdj s PRO 134 CO -0.05 -4.65 1.06 0.39 -0.33 0.00 0.00 177.00 173.41 2wdj n GLU 135 N 8.68 -0.01 -3.64 5.54 -0.58 -1.26 -4.45 120.64 124.92 2wdj n GLU 135 Ca 0.45 0.78 -0.03 0.00 -0.42 0.00 0.00 57.16 57.94 2wdj n GLU 135 Cb 0.44 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 2wdj n GLU 135 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2wdj s PHE 136 N -4.42 -0.06 -0.41 -0.32 -0.12 -1.26 -4.16 117.98 107.23 2wdj s PHE 136 Ca -0.04 0.10 0.09 0.00 -0.05 0.00 0.00 56.93 57.03 2wdj s PHE 136 Cb 0.19 0.49 0.43 0.00 -0.63 0.00 0.00 43.02 43.50 2wdj s PHE 136 CO 0.59 -0.06 1.05 -0.89 -0.05 0.00 0.00 175.22 175.85 2wdj n ILE 137 N 0.43 1.92 -0.51 -4.49 2.08 -1.12 -5.04 119.36 112.64 2wdj n ILE 137 Ca -0.00 -4.37 -0.17 0.00 0.56 0.00 0.00 62.75 58.77 2wdj n ILE 137 Cb 0.58 -0.65 0.01 0.00 -0.75 0.00 0.00 39.64 38.83 2wdj n ILE 137 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2wdj n GLU 138 N -0.33 0.00 -3.64 0.38 1.02 -1.26 -4.58 120.64 112.23 2wdj n GLU 138 Ca 0.29 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 2wdj n GLU 138 Cb 0.70 -0.45 -0.15 0.00 -0.02 0.00 0.00 31.44 31.52 2wdj n GLU 138 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wdj s VAL 139 N -0.90 -0.28 0.29 2.62 -7.23 -1.18 -4.82 120.40 108.90 2wdj s VAL 139 Ca 0.22 0.25 -0.09 0.00 -1.81 0.00 0.00 61.98 60.56 2wdj s VAL 139 Cb -0.16 -0.38 -0.07 0.00 0.56 0.00 0.00 36.38 36.34 2wdj s VAL 139 CO 0.34 0.07 0.61 1.51 -0.31 0.00 0.00 175.10 177.31 2wdj s ASP 140 N 2.30 6.56 -0.14 4.85 3.84 -1.26 -4.33 116.67 128.49 2wdj s ASP 140 Ca 0.03 0.92 0.02 0.00 -0.00 0.00 0.00 52.55 53.53 2wdj s ASP 140 Cb -0.13 -2.23 0.01 0.00 -1.38 0.00 0.00 42.92 39.19 2wdj s ASP 140 CO -0.07 -0.19 -0.21 0.54 -0.00 0.00 0.00 175.17 175.24 2wdj s VAL 141 N -2.03 2.18 -0.43 2.11 0.11 -1.26 -4.98 120.40 116.10 2wdj s VAL 141 Ca 0.47 -0.94 0.23 0.00 -2.93 0.00 0.00 61.98 58.82 2wdj s VAL 141 Cb -0.11 -1.88 0.21 0.00 -1.53 0.00 0.00 36.38 33.07 2wdj s VAL 141 CO 0.26 0.54 1.43 0.77 -3.33 0.00 0.00 175.10 174.78 2wdj h SER 142 N 7.27 0.00 0.00 3.54 4.64 -1.88 -3.32 113.55 123.81 2wdj h SER 142 Ca -0.31 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2wdj h SER 142 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wdj h SER 142 CO 0.55 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2wdj n GLY 143 N 1.17 -0.04 2.83 -0.77 0.00 -1.24 -4.85 105.19 102.29 2wdj n GLY 143 Ca 0.03 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 2wdj n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdj s LEU 144 N 0.00 3.35 -0.01 0.99 1.98 -1.21 -4.85 118.68 118.93 2wdj s LEU 144 Ca 0.00 -2.31 0.02 0.00 -2.89 0.00 0.00 54.13 48.95 2wdj s LEU 144 Cb 0.00 -1.24 -0.00 0.00 0.66 0.00 0.00 46.19 45.61 2wdj s LEU 144 CO 0.00 -0.33 -0.08 -0.70 -1.89 0.00 0.00 176.35 173.35 2wdj s GLU 145 N 0.72 0.71 0.00 1.98 2.56 -1.26 -3.55 118.70 119.86 2wdj s GLU 145 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.97 54.83 2wdj s GLU 145 Cb -0.21 -0.69 0.00 0.00 2.00 0.00 0.00 34.13 35.23 2wdj s GLU 145 CO -0.09 0.14 0.00 0.44 -0.56 0.00 0.00 175.26 175.19 2wdj n ILE 146 N 3.05 0.00 0.00 -3.70 -5.35 -1.26 -4.59 119.36 107.51 2wdj n ILE 146 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2wdj n ILE 146 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 2wdj n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdj n GLY 147 N 0.04 -0.61 0.00 3.28 0.00 -1.26 -5.05 105.19 101.59 2wdj n GLY 147 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wdj n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdj n ASP 148 N 0.00 0.00 0.00 1.61 5.68 -1.26 -4.85 116.55 117.73 2wdj n ASP 148 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2wdj n ASP 148 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2wdj n ASP 148 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wdj n SER 149 N 0.00 0.00 -4.86 -1.12 3.41 -1.26 -4.40 113.62 105.39 2wdj n SER 149 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2wdj n SER 149 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2wdj n SER 149 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2wdj s LEU 150 N 0.00 4.42 0.00 1.04 -0.00 -1.26 -5.01 118.68 117.87 2wdj s LEU 150 Ca 0.00 0.74 0.00 0.00 -0.00 0.00 0.00 54.13 54.87 2wdj s LEU 150 Cb 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 46.19 43.69 2wdj s LEU 150 CO 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 176.35 176.67 2wdj n HIS 151 N 1.65 0.00 0.00 3.48 1.44 -1.26 -2.00 115.22 118.53 2wdj n HIS 151 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 2wdj n HIS 151 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 2wdj n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wdj n ALA 152 N -3.00 0.00 -0.08 1.59 0.00 -1.05 -3.81 120.51 114.17 2wdj n ALA 152 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2wdj n ALA 152 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2wdj n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdj n SER 153 N 0.00 0.45 -3.59 0.00 2.88 -1.26 -4.39 113.62 107.71 2wdj n SER 153 Ca 0.00 -1.68 -0.27 0.00 -1.33 0.00 0.00 58.87 55.59 2wdj n SER 153 Cb 0.00 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 2wdj n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2wdj n ASP 154 N 3.40 2.57 -3.70 -3.46 10.43 -1.25 -5.06 116.55 119.49 2wdj n ASP 154 Ca 0.04 -3.14 -0.14 0.00 2.57 0.00 0.00 54.79 54.12 2wdj n ASP 154 Cb 0.06 -0.69 -0.07 0.00 1.84 0.00 0.00 41.12 42.25 2wdj n ASP 154 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wdj s LEU 155 N -1.63 0.54 0.00 0.64 1.02 -1.26 -4.96 118.68 113.02 2wdj s LEU 155 Ca 0.32 0.11 0.17 0.00 0.02 0.00 0.00 54.13 54.75 2wdj s LEU 155 Cb 0.06 1.57 0.41 0.00 0.02 0.00 0.00 46.19 48.25 2wdj s LEU 155 CO -0.11 -0.55 1.32 1.17 0.02 0.00 0.00 176.35 178.21 2wdj n LYS 156 N 0.93 2.52 0.00 1.70 4.81 -1.26 -5.06 118.16 121.80 2wdj n LYS 156 Ca -0.20 -2.19 0.00 0.00 -0.87 0.00 0.00 58.31 55.05 2wdj n LYS 156 Cb 0.58 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.23 2wdj n LYS 156 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2wdj n LEU 157 N 1.05 0.00 -4.62 3.14 4.77 -1.26 -4.67 117.00 115.41 2wdj n LEU 157 Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 2wdj n LEU 157 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2wdj n LEU 157 CO 0.12 0.00 1.51 -2.16 -1.33 0.00 0.00 177.39 175.53 2wdj s PRO 158 N 0.00 3.59 -0.01 3.23 0.04 -1.26 -4.72 135.00 135.88 2wdj s PRO 158 Ca 0.00 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 2wdj s PRO 158 Cb 0.00 -4.15 -0.00 0.00 0.04 0.00 0.00 34.50 30.39 2wdj s PRO 158 CO 0.00 -1.55 0.31 -2.30 0.04 0.00 0.00 177.00 173.50 2wdj n PRO 159 N 8.04 0.00 0.00 0.56 -0.02 -1.26 -2.46 135.00 139.86 2wdj n PRO 159 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2wdj n PRO 159 Cb 0.45 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 2wdj n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdj n GLY 160 N 1.34 -0.37 3.25 -1.23 0.00 -1.26 -5.17 105.19 101.76 2wdj n GLY 160 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2wdj n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdj s VAL 161 N 0.00 0.82 -0.05 1.61 1.01 -1.03 -4.44 120.40 118.33 2wdj s VAL 161 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.99 2wdj s VAL 161 Cb 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2wdj s VAL 161 CO 0.00 -0.53 -0.02 -1.83 0.00 0.00 0.00 175.10 172.72 2wdj s GLU 162 N -3.87 0.64 0.62 2.72 -1.05 -0.24 -4.88 118.70 112.65 2wdj s GLU 162 Ca 0.22 -0.02 -0.17 0.00 -0.15 0.00 0.00 54.97 54.85 2wdj s GLU 162 Cb 0.05 -0.77 -0.02 0.00 -0.44 0.00 0.00 34.13 32.96 2wdj s GLU 162 CO 0.03 -0.14 1.18 -0.48 0.95 0.00 0.00 175.26 176.81 2wdj s LEU 163 N 1.14 3.56 -0.07 1.83 0.05 -1.26 -0.30 118.68 123.62 2wdj s LEU 163 Ca -0.08 2.29 0.13 0.00 0.05 0.00 0.00 54.13 56.52 2wdj s LEU 163 Cb -0.14 -4.59 0.25 0.00 -2.05 0.00 0.00 46.19 39.66 2wdj s LEU 163 CO -0.01 -1.68 1.12 0.00 -0.55 0.00 0.00 176.35 175.22 2wdj n ALA 164 N -1.91 2.44 -0.07 1.48 0.00 0.62 -4.75 120.51 118.31 2wdj n ALA 164 Ca 0.13 -2.13 -0.07 0.00 0.00 0.00 0.00 53.44 51.37 2wdj n ALA 164 Cb 0.50 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2wdj n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdj n VAL 165 N -0.45 1.17 0.16 0.00 0.31 -1.26 -4.85 118.33 113.41 2wdj n VAL 165 Ca 0.09 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 2wdj n VAL 165 Cb 0.79 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2wdj n VAL 165 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2wdj n SER 166 N -4.03 -2.82 -4.73 4.52 7.64 -1.26 -4.69 113.62 108.25 2wdj n SER 166 Ca -0.11 0.74 -0.41 0.00 1.01 0.00 0.00 58.87 60.10 2wdj n SER 166 Cb 0.40 2.77 -0.04 0.00 -1.01 0.00 0.00 64.21 66.33 2wdj n SER 166 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wdj s PRO 167 N -1.90 4.68 0.20 1.43 0.04 -1.26 -5.06 135.00 133.14 2wdj s PRO 167 Ca 0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2wdj s PRO 167 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2wdj s PRO 167 CO 0.00 0.20 0.00 -1.91 0.04 0.00 0.00 177.00 175.33 2wdj n GLU 168 N 2.60 0.00 -1.01 4.56 4.07 -1.26 -4.15 120.64 125.45 2wdj n GLU 168 Ca 0.02 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.77 2wdj n GLU 168 Cb 0.48 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.93 2wdj n GLU 168 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2wdj n GLU 169 N -3.05 -0.03 -1.88 5.31 2.13 -1.26 -2.51 120.64 119.35 2wdj n GLU 169 Ca 0.00 0.02 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 2wdj n GLU 169 Cb 0.00 -1.46 0.21 0.00 0.27 0.00 0.00 31.44 30.46 2wdj n GLU 169 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2wdj n THR 170 N -2.74 0.00 0.00 6.31 -1.04 -1.26 -2.89 114.28 112.66 2wdj n THR 170 Ca 0.04 -0.96 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 2wdj n THR 170 Cb 0.53 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 2wdj n THR 170 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wdj n ILE 171 N -3.91 0.00 -3.11 12.58 5.41 -0.85 -4.73 119.36 124.75 2wdj n ILE 171 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.91 2wdj n ILE 171 Cb 0.58 -0.01 -0.01 0.00 -0.71 0.00 0.00 39.64 39.50 2wdj n ILE 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdj s ALA 172 N -1.01 -2.29 -0.55 -1.39 0.00 -1.25 -2.61 121.76 112.67 2wdj s ALA 172 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 2wdj s ALA 172 Cb 0.00 -2.72 0.14 0.00 0.00 0.00 0.00 23.12 20.54 2wdj s ALA 172 CO 0.00 -2.22 0.43 0.00 0.00 0.00 0.00 175.76 173.97 2wdj s ALA 173 N 1.62 3.54 0.73 0.00 0.00 -1.26 -4.39 121.76 122.00 2wdj s ALA 173 Ca 0.19 -2.73 -0.17 0.00 0.00 0.00 0.00 51.96 49.25 2wdj s ALA 173 Cb -0.03 -2.95 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 2wdj s ALA 173 CO -0.07 -1.99 0.14 0.28 0.00 0.00 0.00 175.76 174.13 2wdj n VAL 174 N 4.65 0.97 -4.41 0.00 0.31 -1.25 -4.64 118.33 113.95 2wdj n VAL 174 Ca -0.04 -0.43 -0.23 0.00 -0.01 0.00 0.00 64.34 63.64 2wdj n VAL 174 Cb 0.41 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 2wdj n VAL 174 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wdj s VAL 175 N -1.97 0.30 0.72 2.52 -7.23 -1.14 -4.10 120.40 109.50 2wdj s VAL 175 Ca 0.59 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 2wdj s VAL 175 Cb -0.35 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.21 2wdj s VAL 175 CO 0.65 0.00 1.07 -2.16 -0.31 0.00 0.00 175.10 174.35 2wdj s PRO 176 N -3.60 2.77 0.47 4.82 0.04 -1.26 -3.06 135.00 135.18 2wdj s PRO 176 Ca 0.31 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2wdj s PRO 176 Cb 0.02 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2wdj s PRO 176 CO 0.20 -1.15 0.64 -0.35 0.04 0.00 0.00 177.00 176.38 2wdj n PRO 177 N -3.13 0.32 -3.30 0.56 -0.04 -1.26 -4.74 135.00 123.42 2wdj n PRO 177 Ca 0.07 -1.97 -0.34 0.00 -0.04 0.00 0.00 63.50 61.22 2wdj n PRO 177 Cb 0.55 -0.36 -0.05 0.00 -0.04 0.00 0.00 33.50 33.61 2wdj n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdj n GLU 178 N -2.14 3.26 0.00 0.54 -0.58 -1.26 -5.06 120.64 115.41 2wdj n GLU 178 Ca 0.11 -4.61 0.00 0.00 -0.42 0.00 0.00 57.16 52.24 2wdj n GLU 178 Cb 0.41 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.91 2wdj n GLU 178 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18