#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n ARG 4 N 0.00 0.93 0.00 -0.72 5.12 -1.26 -1.61 116.66 119.13 2wrj n ARG 4 Ca 0.00 -0.59 0.00 0.00 -1.93 0.00 0.00 57.85 55.33 2wrj n ARG 4 Cb 0.00 0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 2wrj n ARG 4 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wrj n LEU 5 N 0.00 0.00 -4.69 0.55 0.00 -1.17 -4.72 117.00 106.97 2wrj n LEU 5 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.57 2wrj n LEU 5 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.50 2wrj n LEU 5 CO 0.06 0.00 0.82 -0.75 0.00 0.00 0.00 177.39 177.51 2wrj s LYS 6 N 0.00 4.42 0.08 1.96 2.47 -1.26 -1.88 119.74 125.53 2wrj s LYS 6 Ca 0.00 1.46 0.02 0.00 -1.56 0.00 0.00 55.97 55.90 2wrj s LYS 6 Cb 0.00 -3.53 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 2wrj s LYS 6 CO 0.00 -0.32 -0.08 0.00 0.16 0.00 0.00 175.35 175.11 2wrj s ALA 7 N 1.95 0.89 0.12 3.13 0.00 -0.91 -4.34 121.76 122.60 2wrj s ALA 7 Ca 0.50 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 2wrj s ALA 7 Cb -0.20 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2wrj s ALA 7 CO 0.20 -0.13 0.01 0.71 0.00 0.00 0.00 175.76 176.55 2wrj s TYR 8 N -2.74 0.85 0.52 0.00 1.51 -0.78 -4.16 117.35 112.55 2wrj s TYR 8 Ca 0.04 -1.12 -0.17 0.00 -1.01 0.00 0.00 57.07 54.81 2wrj s TYR 8 Cb -0.01 -0.50 -0.07 0.00 -0.11 0.00 0.00 41.96 41.27 2wrj s TYR 8 CO -0.02 -0.39 1.01 0.71 -1.11 0.00 0.00 175.55 175.75 2wrj s TYR 9 N -3.90 3.25 -0.03 2.71 4.12 -1.26 -2.25 117.35 119.98 2wrj s TYR 9 Ca 0.19 1.51 0.07 0.00 0.02 0.00 0.00 57.07 58.86 2wrj s TYR 9 Cb 0.07 -2.89 -0.02 0.00 -1.52 0.00 0.00 41.96 37.60 2wrj s TYR 9 CO -0.01 -0.61 -0.25 0.50 0.02 0.00 0.00 175.55 175.20 2wrj s ARG 10 N -3.86 2.14 0.15 -0.62 3.52 -0.96 -4.86 118.95 114.46 2wrj s ARG 10 Ca 0.62 -0.88 0.09 0.00 -0.13 0.00 0.00 55.73 55.42 2wrj s ARG 10 Cb -0.12 -1.99 -0.16 0.00 -1.56 0.00 0.00 34.95 31.12 2wrj s ARG 10 CO 0.29 0.48 1.31 0.93 -0.81 0.00 0.00 175.30 177.50 2wrj h GLU 11 N 5.69 0.00 0.00 5.12 3.07 -1.97 -3.44 114.58 123.04 2wrj h GLU 11 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2wrj h GLU 11 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2wrj h GLU 11 CO 0.47 0.90 0.00 0.41 -1.40 0.00 0.00 179.01 179.39 2wrj n GLY 12 N 1.33 0.76 2.87 -3.84 0.00 -1.26 -5.12 105.19 99.94 2wrj n GLY 12 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 2wrj n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrj s GLU 13 N -1.06 0.37 -0.70 1.61 2.02 -1.26 -4.98 118.70 114.70 2wrj s GLU 13 Ca 0.00 0.18 -0.04 0.00 0.02 0.00 0.00 54.97 55.13 2wrj s GLU 13 Cb 0.00 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.72 2wrj s GLU 13 CO 0.00 -0.92 0.61 1.63 0.02 0.00 0.00 175.26 176.61 2wrj n LYS 14 N 5.35 -1.49 0.00 1.61 5.02 -1.26 -4.79 118.16 122.59 2wrj n LYS 14 Ca -0.01 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 2wrj n LYS 14 Cb 0.49 -4.39 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 2wrj n LYS 14 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wrj n PRO 15 N -2.64 0.00 -0.00 1.97 -0.04 -1.26 0.16 135.00 133.19 2wrj n PRO 15 Ca -0.05 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2wrj n PRO 15 Cb 0.58 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 2wrj n PRO 15 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wrj n SER 16 N -1.21 0.83 0.01 3.54 3.41 -1.26 -4.11 113.62 114.82 2wrj n SER 16 Ca 0.00 -0.61 0.13 0.00 -0.26 0.00 0.00 58.87 58.14 2wrj n SER 16 Cb 0.20 1.29 0.51 0.00 -0.26 0.00 0.00 64.21 65.95 2wrj n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrj n ALA 17 N -1.67 2.59 0.05 7.33 0.00 0.43 -3.01 120.51 126.24 2wrj n ALA 17 Ca 0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 2wrj n ALA 17 Cb 0.35 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 2wrj n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrj h LEU 18 N 0.00 0.45 0.33 0.00 4.07 -1.69 -1.33 115.31 117.14 2wrj h LEU 18 Ca 0.00 -0.71 -0.02 0.00 0.08 0.00 0.00 57.88 57.24 2wrj h LEU 18 Cb 0.53 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2wrj h LEU 18 CO 0.00 1.60 -0.16 0.03 -1.08 0.00 0.00 178.44 178.83 2wrj h ARG 19 N 0.08 -0.43 -0.55 1.13 3.08 -1.47 0.67 114.38 116.88 2wrj h ARG 19 Ca -0.31 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2wrj h ARG 19 Cb 2.05 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 32.17 2wrj h ARG 19 CO 0.15 -0.22 0.25 0.07 -1.07 0.00 0.00 179.97 179.15 2wrj h ARG 20 N -0.55 0.78 0.09 0.04 0.11 -1.67 -2.24 114.38 110.94 2wrj h ARG 20 Ca -0.05 -0.10 -0.00 0.00 0.10 0.00 0.00 59.98 59.93 2wrj h ARG 20 Cb 0.41 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2wrj h ARG 20 CO 0.07 0.62 -0.16 0.00 0.10 0.00 0.00 179.97 180.61 2wrj h ALA 21 N 1.50 -0.78 0.00 0.08 0.00 -0.36 -3.46 119.26 116.23 2wrj h ALA 21 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wrj h ALA 21 Cb 0.11 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wrj h ALA 21 CO -0.02 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 178.83 2wrj n GLY 22 N -1.16 0.09 3.93 0.00 0.00 0.19 -5.05 105.19 103.20 2wrj n GLY 22 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2wrj n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 23 N 0.00 3.52 -0.35 1.61 1.02 0.11 -3.88 119.74 121.78 2wrj s LYS 23 Ca 0.00 -0.30 -0.13 0.00 0.02 0.00 0.00 55.97 55.55 2wrj s LYS 23 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2wrj s LYS 23 CO 0.00 0.27 0.26 -1.17 -0.92 0.00 0.00 175.35 173.79 2wrj s LEU 24 N -3.81 4.56 0.33 3.17 0.20 0.10 -2.59 118.68 120.65 2wrj s LEU 24 Ca 0.40 -0.44 -0.29 0.00 0.69 0.00 0.00 54.13 54.49 2wrj s LEU 24 Cb -0.10 -2.17 -0.11 0.00 -0.43 0.00 0.00 46.19 43.39 2wrj s LEU 24 CO 0.32 -0.27 1.43 -2.16 -0.29 0.00 0.00 176.35 175.38 2wrj s PRO 25 N 1.76 4.22 0.00 0.98 0.04 -1.26 -1.49 135.00 139.24 2wrj s PRO 25 Ca 0.07 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2wrj s PRO 25 Cb -0.17 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2wrj s PRO 25 CO 0.11 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.14 2wrj n GLY 26 N 1.06 5.03 0.00 0.56 0.00 0.18 -3.43 105.19 108.59 2wrj n GLY 26 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2wrj n GLY 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wrj n VAL 27 N 0.00 0.00 -4.47 1.61 3.14 -1.25 -3.97 118.33 113.39 2wrj n VAL 27 Ca 0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 2wrj n VAL 27 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 2wrj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wrj s MET 28 N -1.78 1.71 0.00 1.45 0.23 -1.09 -1.29 119.30 118.52 2wrj s MET 28 Ca 0.00 -1.77 0.00 0.00 -1.03 0.00 0.00 55.69 52.89 2wrj s MET 28 Cb 0.00 -1.78 0.00 0.00 -1.53 0.00 0.00 34.83 31.52 2wrj s MET 28 CO 0.00 0.32 0.00 2.48 -2.03 0.00 0.00 175.02 175.79 2wrj n TYR 29 N -0.64 -0.11 0.00 3.16 0.18 0.11 -1.86 117.16 118.00 2wrj n TYR 29 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 2wrj n TYR 29 Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 2wrj n TYR 29 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2wrj n ASN 30 N -0.11 0.00 0.00 9.48 6.94 -0.83 -1.23 115.26 129.51 2wrj n ASN 30 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wrj n ASN 30 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wrj n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2wrj n ARG 31 N -0.88 0.00 0.01 -3.83 1.85 -1.26 -3.30 116.66 109.25 2wrj n ARG 31 Ca 0.00 0.19 -0.01 0.00 -1.00 0.00 0.00 57.85 57.03 2wrj n ARG 31 Cb 0.00 -1.60 -0.00 0.00 -1.05 0.00 0.00 32.46 29.81 2wrj n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wrj n HIS 32 N -1.12 0.00 -4.51 2.89 8.25 -1.26 -5.08 115.22 114.39 2wrj n HIS 32 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2wrj n HIS 32 Cb 0.10 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.00 2wrj n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2wrj s LEU 33 N -6.28 2.20 -0.09 2.41 2.96 -1.21 -5.11 118.68 113.56 2wrj s LEU 33 Ca -0.04 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 2wrj s LEU 33 Cb 0.01 -0.90 0.04 0.00 0.50 0.00 0.00 46.19 45.84 2wrj s LEU 33 CO 0.06 0.12 0.04 0.21 -1.32 0.00 0.00 176.35 175.46 2wrj s ASN 34 N -1.35 1.70 -0.02 3.68 3.84 -1.26 -1.96 114.94 119.57 2wrj s ASN 34 Ca 0.06 -0.20 0.05 0.00 0.21 0.00 0.00 52.86 52.98 2wrj s ASN 34 Cb -0.09 -0.31 -0.01 0.00 -0.55 0.00 0.00 41.25 40.29 2wrj s ASN 34 CO 0.02 -0.26 -0.17 -0.13 -2.79 0.00 0.00 177.10 173.77 2wrj s ARG 35 N 2.06 1.53 0.13 0.43 1.81 -0.78 -4.99 118.95 119.15 2wrj s ARG 35 Ca 0.04 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.13 2wrj s ARG 35 Cb -0.13 -1.42 -0.07 0.00 -0.45 0.00 0.00 34.95 32.88 2wrj s ARG 35 CO -0.05 0.33 1.08 -1.59 -0.68 0.00 0.00 175.30 174.38 2wrj s LYS 36 N -0.25 4.59 0.00 3.54 -2.85 -1.26 -2.68 119.74 120.82 2wrj s LYS 36 Ca 0.03 1.65 0.00 0.00 -1.00 0.00 0.00 55.97 56.65 2wrj s LYS 36 Cb -0.08 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 2wrj s LYS 36 CO 0.00 0.04 0.00 1.33 0.10 0.00 0.00 175.35 176.82 2wrj n VAL 37 N 2.82 0.00 -3.63 1.79 0.24 -1.25 -2.28 118.33 116.02 2wrj n VAL 37 Ca 0.04 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.29 2wrj n VAL 37 Cb 0.47 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.79 2wrj n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2wrj s TYR 38 N -1.03 -0.15 0.09 6.34 -0.85 -0.96 0.48 117.35 121.28 2wrj s TYR 38 Ca 0.00 0.31 0.02 0.00 -0.52 0.00 0.00 57.07 56.88 2wrj s TYR 38 Cb 0.00 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 2wrj s TYR 38 CO 0.00 -0.11 -0.07 0.14 -1.52 0.00 0.00 175.55 173.99 2wrj s VAL 39 N -0.56 0.70 0.65 -3.49 -7.23 -0.56 -1.87 120.40 108.05 2wrj s VAL 39 Ca 0.06 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 2wrj s VAL 39 Cb -0.03 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 2wrj s VAL 39 CO -0.09 -0.77 1.11 -0.62 -0.31 0.00 0.00 175.10 174.43 2wrj s ASP 40 N -2.77 5.15 -0.06 4.85 -1.08 -1.26 0.03 116.67 121.54 2wrj s ASP 40 Ca 0.08 2.01 -0.10 0.00 -0.52 0.00 0.00 52.55 54.03 2wrj s ASP 40 Cb 0.02 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.88 2wrj s ASP 40 CO -0.03 -1.60 0.40 -0.07 0.52 0.00 0.00 175.17 174.38 2wrj h LEU 41 N 0.11 -0.29 -0.27 -1.34 3.38 -1.91 -3.00 115.31 111.99 2wrj h LEU 41 Ca -0.47 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.53 2wrj h LEU 41 Cb 1.25 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2wrj h LEU 41 CO 0.54 0.16 -0.16 0.55 0.09 0.00 0.00 178.44 179.62 2wrj n VAL 42 N -4.94 -0.18 0.38 1.22 3.14 -1.26 0.40 118.33 117.08 2wrj n VAL 42 Ca -0.04 0.89 0.11 0.00 -2.96 0.00 0.00 64.34 62.34 2wrj n VAL 42 Cb 0.14 -1.12 0.47 0.00 -1.06 0.00 0.00 33.84 32.26 2wrj n VAL 42 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2wrj n GLU 43 N -3.74 0.16 -0.05 1.45 0.28 -1.26 -0.33 120.64 117.15 2wrj n GLU 43 Ca 0.01 0.43 -0.11 0.00 -0.16 0.00 0.00 57.16 57.32 2wrj n GLU 43 Cb 0.07 -1.83 -0.15 0.00 1.43 0.00 0.00 31.44 30.96 2wrj n GLU 43 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2wrj n PHE 44 N -2.14 0.64 0.25 -1.84 -0.00 1.31 -3.06 117.46 112.62 2wrj n PHE 44 Ca 0.02 0.21 -0.10 0.00 -0.00 0.00 0.00 57.45 57.58 2wrj n PHE 44 Cb 0.20 -1.11 -0.05 0.00 -0.00 0.00 0.00 39.48 38.52 2wrj n PHE 44 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 2wrj h ASP 45 N 0.01 -0.57 -0.27 -2.13 -0.00 0.26 0.53 116.42 114.25 2wrj h ASP 45 Ca -0.40 0.02 0.08 0.00 -0.00 0.00 0.00 57.03 56.72 2wrj h ASP 45 Cb 2.09 0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 41.55 2wrj h ASP 45 CO 0.05 -0.25 0.87 0.50 -0.00 0.00 0.00 179.24 180.41 2wrj h LYS 46 N -0.99 0.00 0.00 0.28 3.64 -0.83 1.05 116.57 119.71 2wrj h LYS 46 Ca -0.07 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.05 2wrj h LYS 46 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2wrj h LYS 46 CO 0.11 0.00 -1.93 0.28 -2.27 0.00 0.00 179.45 175.64 2wrj n VAL 47 N -2.85 0.93 0.05 2.00 0.31 -1.17 -4.41 118.33 113.18 2wrj n VAL 47 Ca 0.05 -0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 2wrj n VAL 47 Cb 0.96 -1.38 0.19 0.00 -0.91 0.00 0.00 33.84 32.70 2wrj n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wrj h PHE 48 N -0.29 0.44 -0.79 3.52 3.04 -0.11 0.55 116.94 123.31 2wrj h PHE 48 Ca -0.39 -0.12 0.18 0.00 3.98 0.00 0.00 57.97 61.63 2wrj h PHE 48 Cb 1.47 -0.10 -0.12 0.00 2.56 0.00 0.00 35.95 39.76 2wrj h PHE 48 CO -0.02 0.71 0.18 0.00 -2.02 0.00 0.00 178.31 177.16 2wrj h ARG 49 N 0.32 0.23 0.00 1.11 2.47 0.99 -2.83 114.38 116.67 2wrj h ARG 49 Ca 0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2wrj h ARG 49 Cb 0.81 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2wrj h ARG 49 CO 0.07 0.16 0.00 1.04 0.56 0.00 0.00 179.97 181.79 2wrj n GLN 50 N -5.19 0.00 0.00 0.04 6.02 -0.76 -4.71 117.38 112.78 2wrj n GLN 50 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2wrj n GLN 50 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 2wrj n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrj n ALA 51 N -3.00 0.00 -0.89 -1.58 0.00 0.19 -4.79 120.51 110.44 2wrj n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrj n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrj n SER 52 N -1.72 0.00 -1.57 0.00 2.88 -1.07 -3.26 113.62 108.88 2wrj n SER 52 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2wrj n SER 52 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 2wrj n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2wrj n ILE 53 N 0.00 2.36 -0.01 2.46 -5.35 -1.26 -4.46 119.36 113.09 2wrj n ILE 53 Ca 0.00 -3.82 -0.01 0.00 -0.27 0.00 0.00 62.75 58.64 2wrj n ILE 53 Cb 0.00 -0.75 -0.01 0.00 -1.74 0.00 0.00 39.64 37.14 2wrj n ILE 53 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2wrj n HIS 54 N -0.82 0.00 -4.06 4.28 -0.00 -1.24 -4.37 115.22 109.01 2wrj n HIS 54 Ca 0.34 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.71 2wrj n HIS 54 Cb 0.88 -0.06 -0.09 0.00 -0.00 0.00 0.00 29.99 30.71 2wrj n HIS 54 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2wrj s HIS 55 N -2.03 3.29 0.85 4.41 2.46 -1.20 -4.97 115.29 118.10 2wrj s HIS 55 Ca -0.02 0.17 -0.11 0.00 0.47 0.00 0.00 55.06 55.56 2wrj s HIS 55 Cb 0.01 -2.00 0.11 0.00 -0.13 0.00 0.00 32.58 30.57 2wrj s HIS 55 CO 0.04 0.31 1.14 0.08 -2.47 0.00 0.00 174.74 173.84 2wrj s VAL 56 N -0.10 2.37 -0.11 0.89 1.01 -1.26 -4.69 120.40 118.51 2wrj s VAL 56 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2wrj s VAL 56 Cb -0.12 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2wrj s VAL 56 CO 0.01 -0.15 -0.10 -0.63 0.00 0.00 0.00 175.10 174.23 2wrj s ILE 57 N -2.60 1.17 -0.25 2.22 1.09 0.54 -4.24 121.20 119.13 2wrj s ILE 57 Ca 0.67 -0.40 -0.23 0.00 -1.10 0.00 0.00 60.65 59.59 2wrj s ILE 57 Cb -0.23 -1.14 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 2wrj s ILE 57 CO 0.55 0.39 0.76 -0.69 -0.10 0.00 0.00 174.94 175.85 2wrj s VAL 58 N 1.49 4.89 -0.11 2.92 1.01 -0.63 -1.41 120.40 128.55 2wrj s VAL 58 Ca 0.02 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.32 2wrj s VAL 58 Cb -0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2wrj s VAL 58 CO -0.07 -0.04 0.20 -0.76 0.00 0.00 0.00 175.10 174.44 2wrj s LEU 59 N 2.72 4.37 -0.29 3.92 1.43 0.17 -3.02 118.68 127.98 2wrj s LEU 59 Ca 0.32 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.89 2wrj s LEU 59 Cb -0.15 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2wrj s LEU 59 CO 0.08 0.33 0.07 -1.61 0.23 0.00 0.00 176.35 175.45 2wrj s GLU 60 N -0.71 3.09 0.19 1.70 2.02 -0.79 -1.95 118.70 122.25 2wrj s GLU 60 Ca 0.16 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.35 2wrj s GLU 60 Cb -0.13 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2wrj s GLU 60 CO 0.05 -0.43 0.17 -0.51 0.02 0.00 0.00 175.26 174.56 2wrj s LEU 61 N 1.49 3.87 0.00 1.80 1.43 -0.96 -2.13 118.68 124.18 2wrj s LEU 61 Ca 0.02 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2wrj s LEU 61 Cb -0.17 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2wrj s LEU 61 CO 0.02 0.03 0.74 -2.65 0.23 0.00 0.00 176.35 174.72 2wrj n PRO 62 N -0.67 0.00 -1.25 1.29 -0.02 -1.26 -2.14 135.00 130.95 2wrj n PRO 62 Ca -0.08 0.27 -0.28 0.00 -2.02 0.00 0.00 63.50 61.40 2wrj n PRO 62 Cb 0.56 -1.63 0.14 0.00 -0.02 0.00 0.00 33.50 32.55 2wrj n PRO 62 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2wrj n ASP 63 N -1.24 5.22 0.00 2.55 5.75 -1.26 -4.91 116.55 122.65 2wrj n ASP 63 Ca 0.00 -3.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.13 2wrj n ASP 63 Cb 0.13 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 2wrj n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wrj n GLY 64 N -1.03 0.56 3.36 6.12 0.00 -0.91 -4.91 105.19 108.37 2wrj n GLY 64 Ca 0.60 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 2wrj n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrj n GLN 65 N 0.00 0.20 -2.90 1.61 6.02 -1.26 -4.76 117.38 116.29 2wrj n GLN 65 Ca 0.00 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 2wrj n GLN 65 Cb 0.00 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 29.70 2wrj n GLN 65 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2wrj n SER 66 N 0.77 -2.60 -4.83 1.08 3.41 -1.24 -2.25 113.62 107.96 2wrj n SER 66 Ca 0.08 -2.88 -0.32 0.00 -0.26 0.00 0.00 58.87 55.50 2wrj n SER 66 Cb 0.50 1.21 0.02 0.00 -0.26 0.00 0.00 64.21 65.68 2wrj n SER 66 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wrj s LEU 67 N 0.30 3.30 -0.20 1.04 1.02 -0.82 -4.60 118.68 118.71 2wrj s LEU 67 Ca 0.31 1.62 -0.09 0.00 0.02 0.00 0.00 54.13 55.99 2wrj s LEU 67 Cb 0.06 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.72 2wrj s LEU 67 CO -0.12 -1.16 0.11 -2.16 0.02 0.00 0.00 176.35 173.04 2wrj s PRO 68 N -4.73 4.09 0.17 1.29 0.04 -1.26 0.46 135.00 135.06 2wrj s PRO 68 Ca 0.59 -0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 2wrj s PRO 68 Cb -0.13 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2wrj s PRO 68 CO 0.48 0.26 0.33 0.95 0.04 0.00 0.00 177.00 179.06 2wrj s THR 69 N 0.45 0.06 -0.09 1.26 -4.23 -0.50 -0.18 115.64 112.41 2wrj s THR 69 Ca 0.06 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 2wrj s THR 69 Cb -0.12 -1.74 0.01 0.00 1.34 0.00 0.00 72.50 71.99 2wrj s THR 69 CO -0.01 -0.28 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.85 2wrj s LEU 70 N -2.94 1.90 -0.80 4.79 1.43 -0.43 -0.34 118.68 122.29 2wrj s LEU 70 Ca 0.14 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 2wrj s LEU 70 Cb 0.02 -1.18 -0.14 0.00 0.03 0.00 0.00 46.19 44.92 2wrj s LEU 70 CO -0.01 0.09 2.39 -0.69 0.23 0.00 0.00 176.35 178.36 2wrj s VAL 71 N 0.57 3.02 0.40 -1.59 1.01 -1.26 -1.61 120.40 120.94 2wrj s VAL 71 Ca -0.15 -0.02 0.24 0.00 0.00 0.00 0.00 61.98 62.06 2wrj s VAL 71 Cb -0.17 -3.07 0.26 0.00 0.00 0.00 0.00 36.38 33.40 2wrj s VAL 71 CO 0.05 -0.04 2.03 0.03 0.00 0.00 0.00 175.10 177.17 2wrj h ARG 72 N 12.61 0.00 -1.97 2.72 2.47 -1.24 -3.45 114.38 125.52 2wrj h ARG 72 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2wrj h ARG 72 Cb 1.00 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.11 2wrj h ARG 72 CO 1.01 0.15 0.13 -1.14 0.56 0.00 0.00 179.97 180.68 2wrj s GLN 73 N -4.22 0.79 -0.17 0.04 0.74 -1.22 -5.00 119.66 110.62 2wrj s GLN 73 Ca -0.03 1.01 -0.02 0.00 0.05 0.00 0.00 55.36 56.37 2wrj s GLN 73 Cb 0.13 0.35 0.05 0.00 1.10 0.00 0.00 33.01 34.64 2wrj s GLN 73 CO 0.61 -0.11 0.01 0.08 -0.55 0.00 0.00 175.29 175.34 2wrj s VAL 74 N 0.60 0.64 0.22 1.34 1.01 -1.26 -1.16 120.40 121.79 2wrj s VAL 74 Ca -0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2wrj s VAL 74 Cb -0.05 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 2wrj s VAL 74 CO -0.03 -0.05 0.63 0.20 0.00 0.00 0.00 175.10 175.85 2wrj s ASN 75 N 1.82 6.82 0.11 3.32 0.01 -0.92 -5.01 114.94 121.09 2wrj s ASN 75 Ca 0.00 1.17 0.01 0.00 -0.71 0.00 0.00 52.86 53.33 2wrj s ASN 75 Cb -0.16 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.19 2wrj s ASN 75 CO -0.07 -0.02 0.07 0.18 -1.51 0.00 0.00 177.10 175.75 2wrj n LEU 76 N 0.31 0.00 -0.73 0.60 4.77 -1.26 -1.96 117.00 118.74 2wrj n LEU 76 Ca -0.01 -0.57 0.04 0.00 -0.03 0.00 0.00 56.01 55.44 2wrj n LEU 76 Cb 0.52 -0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.81 2wrj n LEU 76 CO 0.43 -0.30 0.58 -0.67 -1.33 0.00 0.00 177.39 176.10 2wrj n ASP 77 N -1.90 2.48 0.00 -1.43 2.03 -1.26 -4.75 116.55 111.72 2wrj n ASP 77 Ca -0.01 -3.54 0.00 0.00 0.52 0.00 0.00 54.79 51.77 2wrj n ASP 77 Cb 0.12 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2wrj n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2wrj n LYS 78 N -1.09 0.00 -2.29 -0.67 0.00 -1.26 -3.67 118.16 109.19 2wrj n LYS 78 Ca 0.24 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.20 2wrj n LYS 78 Cb 0.83 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.83 2wrj n LYS 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2wrj s ARG 79 N 0.00 3.11 0.00 -1.58 1.70 -1.26 -3.35 118.95 117.58 2wrj s ARG 79 Ca 0.00 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 53.90 2wrj s ARG 79 Cb 0.00 -5.34 0.00 0.00 -0.57 0.00 0.00 34.95 29.04 2wrj s ARG 79 CO 0.00 -3.17 0.00 0.54 -1.08 0.00 0.00 175.30 171.59 2wrj n ARG 80 N 8.43 0.00 -0.25 3.89 5.12 -1.24 -4.97 116.66 127.65 2wrj n ARG 80 Ca 0.45 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 2wrj n ARG 80 Cb 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 2wrj n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2wrj n ARG 81 N -1.62 0.00 -3.13 5.56 1.85 -1.21 -4.95 116.66 113.17 2wrj n ARG 81 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2wrj n ARG 81 Cb 0.00 -0.07 -0.01 0.00 -1.05 0.00 0.00 32.46 31.33 2wrj n ARG 81 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wrj s ARG 82 N 0.00 0.87 -0.07 2.89 3.52 -1.26 -4.89 118.95 120.00 2wrj s ARG 82 Ca 0.00 -0.51 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 2wrj s ARG 82 Cb 0.00 -0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 2wrj s ARG 82 CO 0.00 -1.22 0.24 -2.30 -0.81 0.00 0.00 175.30 171.21 2wrj n PRO 83 N 4.06 0.00 -0.09 5.12 -0.02 -1.26 -4.42 135.00 138.38 2wrj n PRO 83 Ca 0.13 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.65 2wrj n PRO 83 Cb 0.56 -0.21 0.09 0.00 -0.02 0.00 0.00 33.50 33.92 2wrj n PRO 83 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wrj n GLU 84 N 0.68 2.11 0.00 -0.52 1.02 -0.83 -5.00 120.64 118.10 2wrj n GLU 84 Ca 0.05 -1.65 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 2wrj n GLU 84 Cb -0.01 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2wrj n GLU 84 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2wrj n HIS 85 N 0.32 0.00 -2.95 -0.32 -0.00 -1.25 -4.55 115.22 106.47 2wrj n HIS 85 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.65 2wrj n HIS 85 Cb 0.33 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.38 2wrj n HIS 85 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2wrj n VAL 86 N 0.00 0.00 -3.36 3.57 0.31 -1.22 -2.17 118.33 115.45 2wrj n VAL 86 Ca 0.00 -1.38 -0.15 0.00 -0.01 0.00 0.00 64.34 62.81 2wrj n VAL 86 Cb 0.00 -0.70 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 2wrj n VAL 86 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2wrj s ASP 87 N -3.69 1.14 -0.26 4.52 1.11 -0.31 -4.01 116.67 115.17 2wrj s ASP 87 Ca 0.45 -0.86 -0.22 0.00 0.18 0.00 0.00 52.55 52.10 2wrj s ASP 87 Cb -0.03 0.71 -0.01 0.00 1.07 0.00 0.00 42.92 44.66 2wrj s ASP 87 CO 0.29 -0.34 0.72 -0.36 1.18 0.00 0.00 175.17 176.65 2wrj s PHE 88 N 2.17 3.27 -0.37 4.23 0.40 -0.41 -0.65 117.98 126.62 2wrj s PHE 88 Ca 0.11 0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 57.13 2wrj s PHE 88 Cb -0.14 -2.98 0.01 0.00 0.51 0.00 0.00 43.02 40.42 2wrj s PHE 88 CO -0.25 -0.40 0.63 0.12 0.70 0.00 0.00 175.22 176.02 2wrj s PHE 89 N 2.70 3.14 -0.40 0.36 5.99 -0.63 -0.71 117.98 128.42 2wrj s PHE 89 Ca 0.30 0.26 -0.29 0.00 0.00 0.00 0.00 56.93 57.20 2wrj s PHE 89 Cb -0.15 -3.16 0.01 0.00 0.00 0.00 0.00 43.02 39.71 2wrj s PHE 89 CO 0.09 -0.67 1.46 0.08 -0.00 0.00 0.00 175.22 176.18 2wrj s VAL 90 N 2.70 3.85 1.07 3.12 1.01 -0.36 -1.31 120.40 130.49 2wrj s VAL 90 Ca 0.24 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 62.95 2wrj s VAL 90 Cb -0.14 -4.13 0.23 0.00 0.00 0.00 0.00 36.38 32.33 2wrj s VAL 90 CO 0.15 -0.71 1.08 -0.76 0.00 0.00 0.00 175.10 174.86 2wrj s LEU 91 N 5.58 1.22 0.00 3.92 1.43 0.75 -4.82 118.68 126.76 2wrj s LEU 91 Ca 0.63 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2wrj s LEU 91 Cb -0.15 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2wrj s LEU 91 CO 0.33 -3.54 0.00 -1.20 0.23 0.00 0.00 176.35 172.16 2wrj n SER 92 N -4.44 0.00 0.00 2.29 7.64 -1.26 -4.82 113.62 113.03 2wrj n SER 92 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2wrj n SER 92 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2wrj n SER 92 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2wrj n ASP 93 N 0.00 0.00 -4.77 6.43 5.75 -1.26 -4.78 116.55 117.92 2wrj n ASP 93 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.38 2wrj n ASP 93 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wrj n ASP 93 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wrj s GLU 94 N -1.00 4.03 0.21 0.11 2.02 -1.26 -4.16 118.70 118.64 2wrj s GLU 94 Ca 0.00 2.38 -0.31 0.00 0.02 0.00 0.00 54.97 57.06 2wrj s GLU 94 Cb 0.00 -2.87 -0.10 0.00 0.10 0.00 0.00 34.13 31.26 2wrj s GLU 94 CO 0.00 -0.52 1.48 -1.25 0.02 0.00 0.00 175.26 174.98 2wrj s PRO 95 N -2.15 4.26 0.09 0.39 0.04 -1.26 -4.20 135.00 132.16 2wrj s PRO 95 Ca 0.55 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.90 2wrj s PRO 95 Cb -0.43 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2wrj s PRO 95 CO 0.56 -0.48 -0.07 0.54 0.04 0.00 0.00 177.00 177.60 2wrj s VAL 96 N 0.50 0.64 0.06 -0.36 0.11 -1.02 -4.83 120.40 115.51 2wrj s VAL 96 Ca 0.63 -1.76 -0.21 0.00 -2.93 0.00 0.00 61.98 57.71 2wrj s VAL 96 Cb -0.42 -1.47 -0.06 0.00 -1.53 0.00 0.00 36.38 32.90 2wrj s VAL 96 CO 0.38 -0.79 0.62 -1.61 -3.33 0.00 0.00 175.10 170.38 2wrj s GLU 97 N -3.40 4.31 0.36 1.54 2.02 -1.26 -2.96 118.70 119.31 2wrj s GLU 97 Ca 0.07 0.83 -0.03 0.00 0.02 0.00 0.00 54.97 55.86 2wrj s GLU 97 Cb 0.02 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.99 2wrj s GLU 97 CO -0.04 0.53 0.53 0.00 0.02 0.00 0.00 175.26 176.29 2wrj s MET 98 N -0.78 2.01 -0.31 1.61 0.23 -1.20 -5.01 119.30 115.85 2wrj s MET 98 Ca 0.31 -1.77 -0.07 0.00 -1.03 0.00 0.00 55.69 53.13 2wrj s MET 98 Cb -0.20 0.47 0.02 0.00 -1.53 0.00 0.00 34.83 33.59 2wrj s MET 98 CO 0.20 -0.85 0.10 0.71 -2.03 0.00 0.00 175.02 173.14 2wrj s TYR 99 N -2.83 3.18 -0.04 3.16 4.12 -1.26 -2.05 117.35 121.63 2wrj s TYR 99 Ca 0.29 -1.09 -0.20 0.00 0.02 0.00 0.00 57.07 56.09 2wrj s TYR 99 Cb -0.01 -2.27 -0.05 0.00 -1.52 0.00 0.00 41.96 38.11 2wrj s TYR 99 CO 0.21 -0.62 0.57 0.08 0.02 0.00 0.00 175.55 175.80 2wrj s VAL 100 N 1.48 5.01 0.37 0.71 1.01 -0.46 -4.47 120.40 124.04 2wrj s VAL 100 Ca 0.01 1.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.90 2wrj s VAL 100 Cb -0.18 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 2wrj s VAL 100 CO 0.03 0.38 1.24 -2.16 0.00 0.00 0.00 175.10 174.59 2wrj s PRO 101 N 0.10 4.18 -0.10 2.72 0.04 -1.26 -2.16 135.00 138.52 2wrj s PRO 101 Ca 0.30 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2wrj s PRO 101 Cb -0.17 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 2wrj s PRO 101 CO 0.15 -0.28 0.26 -0.51 0.04 0.00 0.00 177.00 176.67 2wrj s LEU 102 N -2.15 4.36 -0.29 -3.56 1.43 -0.91 0.25 118.68 117.81 2wrj s LEU 102 Ca 0.53 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 54.24 2wrj s LEU 102 Cb -0.36 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 43.60 2wrj s LEU 102 CO 0.46 0.28 -0.03 -0.60 0.23 0.00 0.00 176.35 176.69 2wrj s ARG 103 N -0.51 2.37 -1.07 1.70 3.52 -1.11 -4.83 118.95 119.02 2wrj s ARG 103 Ca 0.17 -1.30 -0.22 0.00 -0.13 0.00 0.00 55.73 54.26 2wrj s ARG 103 Cb -0.14 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.19 2wrj s ARG 103 CO 0.06 -0.61 1.62 -0.06 -0.81 0.00 0.00 175.30 175.50 2wrj s PHE 104 N 1.21 2.43 -0.59 5.12 0.08 -1.26 -1.28 117.98 123.68 2wrj s PHE 104 Ca -0.06 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.17 2wrj s PHE 104 Cb -0.20 -4.56 0.15 0.00 -0.57 0.00 0.00 43.02 37.84 2wrj s PHE 104 CO -0.02 -1.84 0.52 0.54 -0.10 0.00 0.00 175.22 174.32 2wrj s VAL 105 N 6.01 5.00 0.00 -0.44 0.11 -1.20 -4.91 120.40 124.97 2wrj s VAL 105 Ca 0.53 -1.85 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 2wrj s VAL 105 Cb -0.00 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 2wrj s VAL 105 CO -0.03 -0.88 0.00 0.61 -3.33 0.00 0.00 175.10 171.46 2wrj n GLY 106 N 4.80 3.84 3.66 6.54 0.00 -1.26 -4.30 105.19 118.47 2wrj n GLY 106 Ca -0.05 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2wrj n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wrj s THR 107 N 0.00 4.64 0.21 2.61 2.01 -1.26 -4.47 115.64 119.38 2wrj s THR 107 Ca 0.00 1.97 -0.04 0.00 0.31 0.00 0.00 61.69 63.94 2wrj s THR 107 Cb 0.00 -4.30 0.05 0.00 0.01 0.00 0.00 72.50 68.26 2wrj s THR 107 CO 0.00 -0.20 0.21 -0.81 -0.69 0.00 0.00 174.62 173.12 2wrj n PRO 108 N 6.39 -1.19 0.11 4.92 -0.04 -1.26 -4.18 135.00 139.75 2wrj n PRO 108 Ca 0.12 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2wrj n PRO 108 Cb 0.46 -0.29 -0.01 0.00 -0.04 0.00 0.00 33.50 33.62 2wrj n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrj h ALA 109 N -2.10 0.61 0.00 0.55 0.00 0.32 -3.00 119.26 115.64 2wrj h ALA 109 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2wrj h ALA 109 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wrj h ALA 109 CO 0.05 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.48 2wrj n GLY 110 N 1.27 -0.01 2.85 0.00 0.00 -1.20 -2.24 105.19 105.86 2wrj n GLY 110 Ca 0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wrj n GLY 110 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrj n VAL 111 N -1.00 4.79 0.00 1.61 0.31 -1.13 -1.62 118.33 121.28 2wrj n VAL 111 Ca 0.00 -5.80 0.00 0.00 -0.01 0.00 0.00 64.34 58.53 2wrj n VAL 111 Cb 0.00 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 2wrj n VAL 111 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrj n ARG 112 N 1.03 0.00 0.00 5.55 0.00 -1.16 -4.94 116.66 117.14 2wrj n ARG 112 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 2wrj n ARG 112 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.80 2wrj n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrj n ALA 113 N 0.00 -0.03 0.00 5.13 0.00 -0.95 -5.09 120.51 119.57 2wrj n ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 113 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrj n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 114 N 1.94 -1.33 0.75 0.00 0.00 -0.64 -5.04 105.19 100.87 2wrj n GLY 114 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2wrj n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 115 N -0.48 -1.95 3.11 -0.02 0.00 -1.26 -4.25 105.19 100.34 2wrj n GLY 115 Ca 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 2wrj n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrj s VAL 116 N -0.09 -0.01 0.24 1.61 1.01 -0.03 -4.76 120.40 118.37 2wrj s VAL 116 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2wrj s VAL 116 Cb 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 36.38 35.93 2wrj s VAL 116 CO 0.00 0.01 1.49 -0.22 0.00 0.00 0.00 175.10 176.38 2wrj s LEU 117 N 0.28 4.38 -0.26 3.92 2.96 -1.26 -2.34 118.68 126.35 2wrj s LEU 117 Ca -0.01 2.71 -0.00 0.00 -0.22 0.00 0.00 54.13 56.60 2wrj s LEU 117 Cb -0.03 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.08 2wrj s LEU 117 CO -0.01 -0.76 -0.07 -1.58 -1.32 0.00 0.00 176.35 172.61 2wrj s GLN 118 N -0.12 2.58 0.00 1.98 0.74 0.97 -4.96 119.66 120.84 2wrj s GLN 118 Ca 0.62 -1.14 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 2wrj s GLN 118 Cb -0.43 -2.99 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 2wrj s GLN 118 CO 0.42 -0.49 1.52 -0.85 -0.55 0.00 0.00 175.29 175.34 2wrj n GLU 119 N 4.59 0.75 0.00 1.67 0.28 -1.26 -2.49 120.64 124.18 2wrj n GLU 119 Ca -0.15 -0.22 0.00 0.00 -0.16 0.00 0.00 57.16 56.63 2wrj n GLU 119 Cb 0.45 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2wrj n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2wrj n ILE 120 N 2.16 0.00 0.00 3.84 2.08 -1.17 -2.69 119.36 123.58 2wrj n ILE 120 Ca 0.10 0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.56 2wrj n ILE 120 Cb 0.36 -1.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 2wrj n ILE 120 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 2wrj n HIS 121 N -0.61 0.00 0.37 1.39 -0.00 -0.36 -4.84 115.22 111.17 2wrj n HIS 121 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2wrj n HIS 121 Cb 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 2wrj n HIS 121 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2wrj n ARG 122 N 0.00 0.34 -3.66 1.57 1.85 -1.09 -4.55 116.66 111.11 2wrj n ARG 122 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 2wrj n ARG 122 Cb 0.00 -1.15 -0.10 0.00 -1.05 0.00 0.00 32.46 30.16 2wrj n ARG 122 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wrj s ASP 123 N -0.75 -0.25 0.04 2.89 1.11 -1.26 -2.14 116.67 116.31 2wrj s ASP 123 Ca 0.00 0.97 0.04 0.00 0.18 0.00 0.00 52.55 53.74 2wrj s ASP 123 Cb 0.00 1.28 -0.04 0.00 1.07 0.00 0.00 42.92 45.23 2wrj s ASP 123 CO 0.00 -0.23 -0.04 0.27 1.18 0.00 0.00 175.17 176.35 2wrj s ILE 124 N 2.50 3.82 -0.64 0.77 -4.36 -0.92 -4.89 121.20 117.48 2wrj s ILE 124 Ca -0.02 -0.86 -0.22 0.00 -0.26 0.00 0.00 60.65 59.28 2wrj s ILE 124 Cb -0.12 -2.74 0.07 0.00 1.25 0.00 0.00 42.46 40.93 2wrj s ILE 124 CO -0.13 0.27 0.93 -0.22 0.24 0.00 0.00 174.94 176.04 2wrj s LEU 125 N -1.81 4.48 0.00 0.37 2.96 -1.26 -1.36 118.68 122.07 2wrj s LEU 125 Ca 0.21 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 2wrj s LEU 125 Cb -0.11 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.14 2wrj s LEU 125 CO 0.12 -1.38 0.00 1.33 -1.32 0.00 0.00 176.35 175.09 2wrj n VAL 126 N 5.89 0.00 -3.49 1.68 0.24 -0.87 -0.22 118.33 121.55 2wrj n VAL 126 Ca -0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 2wrj n VAL 126 Cb 0.45 -0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 32.58 2wrj n VAL 126 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2wrj s LYS 127 N 2.15 0.98 0.00 7.34 -2.85 -1.26 -3.24 119.74 122.86 2wrj s LYS 127 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 2wrj s LYS 127 Cb 0.00 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 2wrj s LYS 127 CO 0.00 -0.38 0.00 1.55 0.10 0.00 0.00 175.35 176.62 2wrj n VAL 128 N 0.17 0.00 -1.92 1.79 3.14 -1.16 -3.11 118.33 117.24 2wrj n VAL 128 Ca -0.14 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.83 2wrj n VAL 128 Cb 0.61 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.37 2wrj n VAL 128 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2wrj s SER 129 N 0.00 6.53 0.02 6.55 1.04 -1.26 -2.44 113.70 124.13 2wrj s SER 129 Ca 0.00 2.83 0.01 0.00 0.48 0.00 0.00 55.95 59.27 2wrj s SER 129 Cb 0.00 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.52 2wrj s SER 129 CO 0.00 -0.77 0.82 -2.65 0.98 0.00 0.00 173.24 171.62 2wrj n PRO 130 N 1.61 0.00 0.38 4.02 -0.02 -1.26 -0.43 135.00 139.30 2wrj n PRO 130 Ca 0.05 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 2wrj n PRO 130 Cb 0.39 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 2wrj n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrj h ARG 131 N 0.00 -0.93 -6.38 -0.52 3.08 -1.86 -3.37 114.38 104.40 2wrj h ARG 131 Ca 0.00 0.06 -0.54 0.00 0.07 0.00 0.00 59.98 59.57 2wrj h ARG 131 Cb 0.42 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 2wrj h ARG 131 CO 0.00 -0.62 1.08 -0.80 -1.07 0.00 0.00 179.97 178.56 2wrj s ASN 132 N -3.70 6.13 -1.10 7.04 0.01 0.43 -4.93 114.94 118.82 2wrj s ASN 132 Ca -0.14 -0.07 -0.06 0.00 -0.71 0.00 0.00 52.86 51.88 2wrj s ASN 132 Cb 0.01 -2.55 0.30 0.00 0.41 0.00 0.00 41.25 39.42 2wrj s ASN 132 CO 0.42 -1.78 1.35 -0.38 -1.51 0.00 0.00 177.10 175.21 2wrj n ILE 133 N 6.64 5.04 -0.19 0.60 2.08 -1.26 -4.67 119.36 127.60 2wrj n ILE 133 Ca 0.08 -5.70 -0.18 0.00 0.56 0.00 0.00 62.75 57.51 2wrj n ILE 133 Cb 0.49 -2.28 0.18 0.00 -0.75 0.00 0.00 39.64 37.28 2wrj n ILE 133 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2wrj n PRO 134 N 1.90 -3.22 0.00 0.38 -0.04 -1.26 -5.06 135.00 127.70 2wrj n PRO 134 Ca 0.26 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 2wrj n PRO 134 Cb 0.35 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2wrj n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrj n GLU 135 N -3.76 0.00 -1.41 0.54 1.02 -1.26 -5.02 120.64 110.75 2wrj n GLU 135 Ca 0.08 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.73 2wrj n GLU 135 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.68 2wrj n GLU 135 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2wrj n PHE 136 N 0.00 1.20 -2.72 -0.32 1.16 -1.26 -4.43 117.46 111.09 2wrj n PHE 136 Ca 0.00 0.42 -0.42 0.00 -1.87 0.00 0.00 57.45 55.58 2wrj n PHE 136 Cb 0.00 -2.44 -0.03 0.00 -1.61 0.00 0.00 39.48 35.40 2wrj n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wrj s ILE 137 N 7.91 4.10 0.18 1.97 -1.09 0.14 -4.73 121.20 129.67 2wrj s ILE 137 Ca 1.18 -0.22 -0.33 0.00 -2.23 0.00 0.00 60.65 59.05 2wrj s ILE 137 Cb -1.06 -4.82 -0.15 0.00 -1.58 0.00 0.00 42.46 34.85 2wrj s ILE 137 CO 0.51 -1.66 1.28 -0.62 -1.23 0.00 0.00 174.94 173.23 2wrj n GLU 138 N 8.34 1.47 -5.03 2.79 1.02 -1.26 -2.74 120.64 125.23 2wrj n GLU 138 Ca 0.05 0.52 -0.32 0.00 -0.02 0.00 0.00 57.16 57.39 2wrj n GLU 138 Cb 0.48 -2.10 -0.14 0.00 -0.02 0.00 0.00 31.44 29.65 2wrj n GLU 138 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wrj s VAL 139 N 0.02 2.69 -0.13 2.62 1.01 -0.41 -4.43 120.40 121.77 2wrj s VAL 139 Ca 0.74 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2wrj s VAL 139 Cb -0.80 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2wrj s VAL 139 CO 0.50 0.58 0.46 -1.81 0.00 0.00 0.00 175.10 174.82 2wrj s ASP 140 N -0.52 6.65 0.08 3.32 1.11 -1.26 -3.25 116.67 122.79 2wrj s ASP 140 Ca 0.07 0.77 0.02 0.00 0.18 0.00 0.00 52.55 53.59 2wrj s ASP 140 Cb -0.11 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 2wrj s ASP 140 CO 0.01 0.00 -0.08 -0.69 1.18 0.00 0.00 175.17 175.60 2wrj s VAL 141 N 0.65 0.67 0.00 -1.27 1.01 -1.26 -4.96 120.40 115.24 2wrj s VAL 141 Ca 0.25 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.67 2wrj s VAL 141 Cb -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2wrj s VAL 141 CO 0.10 -0.63 0.00 -1.54 0.00 0.00 0.00 175.10 173.02 2wrj n SER 142 N 0.63 0.00 -1.96 3.32 3.41 -1.26 -4.38 113.62 113.38 2wrj n SER 142 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 2wrj n SER 142 Cb 0.58 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 2wrj n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrj n GLY 143 N 0.00 1.87 3.00 5.00 0.00 -1.26 -2.54 105.19 111.27 2wrj n GLY 143 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2wrj n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrj s LEU 144 N 0.00 1.59 -0.01 0.99 2.01 -1.26 -4.99 118.68 117.01 2wrj s LEU 144 Ca 0.18 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 54.06 2wrj s LEU 144 Cb 0.09 -0.78 0.00 0.00 0.01 0.00 0.00 46.19 45.51 2wrj s LEU 144 CO 0.00 0.02 -0.05 -0.70 1.01 0.00 0.00 176.35 176.63 2wrj s GLU 145 N 0.73 0.49 -0.17 1.70 2.56 -1.26 0.48 118.70 123.23 2wrj s GLU 145 Ca -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.97 54.63 2wrj s GLU 145 Cb -0.16 -0.49 -0.05 0.00 2.00 0.00 0.00 34.13 35.44 2wrj s GLU 145 CO 0.03 0.08 0.40 0.44 -0.56 0.00 0.00 175.26 175.65 2wrj n ILE 146 N 3.14 0.00 0.00 -3.70 -0.00 -1.26 -4.07 119.36 113.47 2wrj n ILE 146 Ca -0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 2wrj n ILE 146 Cb 0.57 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 2wrj n ILE 146 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2wrj n GLY 147 N 0.99 -0.21 0.00 3.28 0.00 -1.24 -5.00 105.19 103.01 2wrj n GLY 147 Ca 0.11 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2wrj n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrj n ASP 148 N 0.00 0.00 -1.26 1.61 5.68 -1.26 -4.72 116.55 116.61 2wrj n ASP 148 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2wrj n ASP 148 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2wrj n ASP 148 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wrj n SER 149 N 0.00 -0.09 -4.07 -1.12 3.41 -1.26 -4.17 113.62 106.32 2wrj n SER 149 Ca 0.00 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.46 2wrj n SER 149 Cb 0.00 0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 2wrj n SER 149 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2wrj s LEU 150 N 0.00 2.22 0.00 1.04 2.34 -1.21 -5.08 118.68 117.99 2wrj s LEU 150 Ca 0.03 -0.49 0.00 0.00 0.06 0.00 0.00 54.13 53.73 2wrj s LEU 150 Cb -0.00 -0.27 0.00 0.00 -0.56 0.00 0.00 46.19 45.36 2wrj s LEU 150 CO -0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 176.35 175.16 2wrj n HIS 151 N 1.69 0.00 0.00 3.48 1.44 -1.26 -3.19 115.22 117.38 2wrj n HIS 151 Ca -0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.50 2wrj n HIS 151 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 2wrj n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wrj n ALA 152 N -3.00 0.00 -2.40 1.59 0.00 -1.26 -3.58 120.51 111.86 2wrj n ALA 152 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2wrj n ALA 152 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2wrj n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrj n SER 153 N -1.50 3.94 -4.55 0.00 2.88 -1.26 -4.49 113.62 108.64 2wrj n SER 153 Ca 0.00 -3.39 -0.43 0.00 -1.33 0.00 0.00 58.87 53.72 2wrj n SER 153 Cb 0.00 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.02 2wrj n SER 153 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2wrj s ASP 154 N -3.53 6.79 0.13 -3.46 -0.00 -1.23 -4.90 116.67 110.46 2wrj s ASP 154 Ca 0.43 -2.28 -0.25 0.00 -0.00 0.00 0.00 52.55 50.46 2wrj s ASP 154 Cb 0.40 -2.54 0.07 0.00 -0.00 0.00 0.00 42.92 40.85 2wrj s ASP 154 CO -0.07 -1.18 0.78 -1.48 -0.00 0.00 0.00 175.17 173.23 2wrj s LEU 155 N 3.91 -0.38 -0.64 1.23 2.34 -1.26 -4.87 118.68 119.02 2wrj s LEU 155 Ca 0.49 -0.18 -0.26 0.00 0.06 0.00 0.00 54.13 54.24 2wrj s LEU 155 Cb 0.02 2.36 -0.04 0.00 -0.56 0.00 0.00 46.19 47.96 2wrj s LEU 155 CO 0.02 -0.91 2.04 -0.75 -1.06 0.00 0.00 176.35 175.69 2wrj s LYS 156 N -3.49 2.41 -0.60 1.48 2.20 -1.26 -4.93 119.74 115.55 2wrj s LYS 156 Ca 0.06 0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 56.11 2wrj s LYS 156 Cb -0.02 -4.57 0.07 0.00 -1.51 0.00 0.00 37.83 31.81 2wrj s LYS 156 CO -0.05 -3.09 0.84 -0.51 -0.36 0.00 0.00 175.35 172.18 2wrj s LEU 157 N 10.39 4.73 0.96 5.43 1.43 -1.26 -4.88 118.68 135.48 2wrj s LEU 157 Ca 0.77 -1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 2wrj s LEU 157 Cb -0.13 -2.44 -0.19 0.00 0.03 0.00 0.00 46.19 43.46 2wrj s LEU 157 CO 0.18 -1.24 -1.49 -2.65 0.23 0.00 0.00 176.35 171.38 2wrj n PRO 158 N 7.06 0.00 -0.07 1.29 -0.02 -1.26 -4.54 135.00 137.45 2wrj n PRO 158 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wrj n PRO 158 Cb 0.45 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 2wrj n PRO 158 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wrj n PRO 159 N 2.42 0.00 0.00 0.52 -0.02 -1.26 -2.22 135.00 134.44 2wrj n PRO 159 Ca -0.02 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2wrj n PRO 159 Cb 0.72 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2wrj n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrj n GLY 160 N 2.96 -0.89 3.77 -1.23 0.00 -1.26 -5.07 105.19 103.46 2wrj n GLY 160 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2wrj n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrj s VAL 161 N 0.00 4.39 -0.40 1.61 1.01 -0.94 -4.71 120.40 121.35 2wrj s VAL 161 Ca 0.00 1.75 0.08 0.00 0.00 0.00 0.00 61.98 63.81 2wrj s VAL 161 Cb 0.00 -4.16 0.26 0.00 0.00 0.00 0.00 36.38 32.47 2wrj s VAL 161 CO 0.00 0.49 0.55 -1.84 0.00 0.00 0.00 175.10 174.30 2wrj n GLU 162 N 1.78 0.84 0.00 2.72 0.28 -1.18 -4.77 120.64 120.32 2wrj n GLU 162 Ca -0.05 -3.32 0.00 0.00 -0.16 0.00 0.00 57.16 53.63 2wrj n GLU 162 Cb 0.49 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 32.05 2wrj n GLU 162 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2wrj n LEU 163 N 1.31 0.00 -1.42 -1.84 -0.00 -1.26 -4.40 117.00 109.39 2wrj n LEU 163 Ca 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.16 2wrj n LEU 163 Cb 0.53 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 44.05 2wrj n LEU 163 CO 0.20 0.00 0.24 0.00 -0.00 0.00 0.00 177.39 177.82 2wrj n ALA 164 N 0.00 4.05 -1.91 1.47 0.00 0.69 -4.87 120.51 119.94 2wrj n ALA 164 Ca 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.04 2wrj n ALA 164 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2wrj n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrj n VAL 165 N -0.79 0.00 0.00 0.00 0.31 -1.21 -4.88 118.33 111.77 2wrj n VAL 165 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2wrj n VAL 165 Cb 0.85 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 2wrj n VAL 165 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2wrj n SER 166 N 0.00 0.00 -4.86 4.52 7.64 -1.26 -5.01 113.62 114.65 2wrj n SER 166 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2wrj n SER 166 Cb 0.00 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2wrj n SER 166 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wrj s PRO 167 N -0.53 3.78 0.00 1.43 0.04 -1.26 -5.09 135.00 133.37 2wrj s PRO 167 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2wrj s PRO 167 Cb 0.00 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2wrj s PRO 167 CO 0.00 -0.28 0.00 -1.91 0.04 0.00 0.00 177.00 174.85 2wrj n GLU 168 N -1.87 0.00 -1.69 4.56 4.07 -1.26 -4.82 120.64 119.63 2wrj n GLU 168 Ca 0.05 0.00 -0.51 0.00 -0.06 0.00 0.00 57.16 56.64 2wrj n GLU 168 Cb 0.54 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.87 2wrj n GLU 168 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2wrj n GLU 169 N 0.00 1.92 -1.55 5.31 4.07 -1.26 -4.32 120.64 124.80 2wrj n GLU 169 Ca 0.00 0.70 -0.24 0.00 -0.06 0.00 0.00 57.16 57.57 2wrj n GLU 169 Cb 0.00 -2.51 -0.06 0.00 -0.06 0.00 0.00 31.44 28.81 2wrj n GLU 169 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2wrj n THR 170 N 5.02 -0.04 -0.03 6.31 -1.04 -1.26 -4.01 114.28 119.23 2wrj n THR 170 Ca 0.24 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.05 61.52 2wrj n THR 170 Cb 0.25 -2.31 -0.03 0.00 -1.82 0.00 0.00 70.33 66.42 2wrj n THR 170 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 2wrj h ILE 171 N 7.70 0.94 -2.08 12.58 -0.00 -1.86 -3.43 117.51 131.36 2wrj h ILE 171 Ca -0.11 -0.04 0.01 0.00 -0.00 0.00 0.00 64.86 64.72 2wrj h ILE 171 Cb 1.13 0.80 -0.18 0.00 -0.00 0.00 0.00 36.82 38.56 2wrj h ILE 171 CO 1.09 0.02 0.33 0.00 -0.00 0.00 0.00 178.15 179.59 2wrj s ALA 172 N -6.18 -1.80 0.11 0.16 0.00 -1.19 -1.22 121.76 111.64 2wrj s ALA 172 Ca -0.13 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 2wrj s ALA 172 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2wrj s ALA 172 CO 0.69 -0.46 0.29 0.00 0.00 0.00 0.00 175.76 176.27 2wrj s ALA 173 N -1.84 -0.52 -0.14 0.00 0.00 -1.04 -3.30 121.76 114.93 2wrj s ALA 173 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 2wrj s ALA 173 Cb -0.00 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2wrj s ALA 173 CO 0.01 -0.58 0.02 0.08 0.00 0.00 0.00 175.76 175.30 2wrj s VAL 174 N -3.84 4.47 0.18 0.00 1.01 -1.26 -0.02 120.40 120.94 2wrj s VAL 174 Ca 0.05 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2wrj s VAL 174 Cb 0.03 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2wrj s VAL 174 CO -0.11 0.53 -0.13 0.68 0.00 0.00 0.00 175.10 176.07 2wrj s VAL 175 N -0.14 1.55 0.15 2.92 -7.23 -0.99 -3.69 120.40 112.96 2wrj s VAL 175 Ca 0.05 -2.12 -0.34 0.00 -1.81 0.00 0.00 61.98 57.76 2wrj s VAL 175 Cb -0.12 -1.94 -0.15 0.00 0.56 0.00 0.00 36.38 34.73 2wrj s VAL 175 CO 0.02 -0.61 1.49 -2.65 -0.31 0.00 0.00 175.10 173.03 2wrj n PRO 176 N -0.23 1.84 -1.19 4.82 -0.02 -1.26 -0.85 135.00 138.11 2wrj n PRO 176 Ca -0.09 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 2wrj n PRO 176 Cb 0.60 -2.38 0.10 0.00 -0.02 0.00 0.00 33.50 31.80 2wrj n PRO 176 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2wrj s PRO 177 N 0.65 2.02 0.10 0.52 0.02 -1.26 -4.81 135.00 132.24 2wrj s PRO 177 Ca 0.79 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 2wrj s PRO 177 Cb -0.76 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 31.84 2wrj s PRO 177 CO 0.42 -1.81 1.04 -2.00 -0.33 0.00 0.00 177.00 174.31 2wrj s GLU 178 N -4.88 4.60 -0.28 5.54 2.56 -1.26 -4.98 118.70 120.00 2wrj s GLU 178 Ca 0.62 1.57 0.02 0.00 0.00 0.00 0.00 54.97 57.18 2wrj s GLU 178 Cb -0.18 -3.36 0.08 0.00 2.00 0.00 0.00 34.13 32.67 2wrj s GLU 178 CO 0.56 0.05 -0.02 0.34 -0.56 0.00 0.00 175.26 175.64 2wrj s ASP 179 N 0.32 4.33 0.00 -1.70 -1.08 -1.26 -5.02 116.67 112.25 2wrj s ASP 179 Ca 0.50 -1.61 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 2wrj s ASP 179 Cb -0.26 -1.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 2wrj s ASP 179 CO 0.31 -0.29 0.25 0.52 0.52 0.00 0.00 175.17 176.48 2wrj n VAL 180 N 4.49 0.00 -2.05 1.11 0.31 -1.26 -2.62 118.33 118.31 2wrj n VAL 180 Ca -0.06 0.38 -0.27 0.00 -0.01 0.00 0.00 64.34 64.38 2wrj n VAL 180 Cb 0.43 -0.51 -0.05 0.00 -0.91 0.00 0.00 33.84 32.79 2wrj n VAL 180 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wrj s GLU 181 N -2.87 2.55 -0.29 5.55 2.02 -1.26 -4.74 118.70 119.65 2wrj s GLU 181 Ca 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 2wrj s GLU 181 Cb 0.00 -5.09 0.11 0.00 0.10 0.00 0.00 34.13 29.25 2wrj s GLU 181 CO 0.00 -3.48 0.76 0.15 0.02 0.00 0.00 175.26 172.72 2wrj s LYS 182 N 6.91 0.58 -0.15 1.61 1.02 -1.08 -5.17 119.74 123.47 2wrj s LYS 182 Ca 0.70 1.12 -0.07 0.00 0.02 0.00 0.00 55.97 57.74 2wrj s LYS 182 Cb -0.06 0.32 0.06 0.00 -0.52 0.00 0.00 37.83 37.63 2wrj s LYS 182 CO 0.02 -0.14 0.33 -0.51 -0.92 0.00 0.00 175.35 174.13 2wrj s LEU 183 N 1.94 -0.02 -0.02 3.17 1.43 -1.26 -5.06 118.68 118.85 2wrj s LEU 183 Ca -0.08 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2wrj s LEU 183 Cb -0.06 1.05 -0.04 0.00 0.03 0.00 0.00 46.19 47.16 2wrj s LEU 183 CO -0.19 -0.20 0.02 0.00 0.23 0.00 0.00 176.35 176.22 2wrj n ALA 184 N 4.54 1.96 -0.65 4.21 0.00 -1.26 -4.92 120.51 124.40 2wrj n ALA 184 Ca -0.20 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2wrj n ALA 184 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2wrj n ALA 184 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wrj n GLU 185 N -2.02 0.00 -0.30 0.00 2.13 -1.26 -4.33 120.64 114.87 2wrj n GLU 185 Ca -0.04 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2wrj n GLU 185 Cb 0.50 -0.51 0.00 0.00 0.27 0.00 0.00 31.44 31.70 2wrj n GLU 185 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2wrj n GLU 186 N -0.47 0.00 0.00 5.31 -0.00 -1.26 -5.37 120.64 118.84 2wrj n GLU 186 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2wrj n GLU 186 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 31.44 31.14 2wrj n GLU 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13