#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n VAL 3 N 0.00 -5.84 -2.32 0.00 0.31 -1.26 -4.90 118.33 104.31 2wrj n VAL 3 Ca 0.00 1.35 -0.37 0.00 -0.01 0.00 0.00 64.34 65.32 2wrj n VAL 3 Cb 0.00 -3.57 -0.02 0.00 -0.91 0.00 0.00 33.84 29.34 2wrj n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wrj s LYS 4 N -0.26 3.79 0.25 5.55 1.02 -0.63 -4.89 119.74 124.57 2wrj s LYS 4 Ca -0.02 1.69 0.10 0.00 0.02 0.00 0.00 55.97 57.76 2wrj s LYS 4 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2wrj s LYS 4 CO 0.04 -0.50 -0.05 0.21 -0.92 0.00 0.00 175.35 174.12 2wrj s LYS 5 N -2.75 2.15 -0.02 1.68 2.47 -1.26 -2.33 119.74 119.68 2wrj s LYS 5 Ca 0.64 -1.44 0.04 0.00 -1.56 0.00 0.00 55.97 53.65 2wrj s LYS 5 Cb -0.26 -2.10 -0.01 0.00 -1.46 0.00 0.00 37.83 34.00 2wrj s LYS 5 CO 0.32 0.38 -0.15 -0.06 0.16 0.00 0.00 175.35 175.99 2wrj s PHE 6 N -2.21 1.45 1.08 4.03 0.40 -1.26 -4.98 117.98 116.49 2wrj s PHE 6 Ca 0.30 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 56.17 2wrj s PHE 6 Cb -0.07 -0.96 0.24 0.00 0.51 0.00 0.00 43.02 42.74 2wrj s PHE 6 CO 0.18 -0.08 1.07 0.15 0.70 0.00 0.00 175.22 177.24 2wrj s LYS 7 N -0.17 -0.24 -0.26 0.44 1.02 -1.26 -4.51 119.74 114.76 2wrj s LYS 7 Ca 0.02 1.03 -0.02 0.00 0.02 0.00 0.00 55.97 57.02 2wrj s LYS 7 Cb -0.08 -1.62 0.12 0.00 -0.52 0.00 0.00 37.83 35.73 2wrj s LYS 7 CO 0.00 -3.32 2.26 -0.35 -0.92 0.00 0.00 175.35 173.02 2wrj n PRO 8 N -4.66 1.78 0.00 -1.68 -0.04 -1.26 -4.20 135.00 124.94 2wrj n PRO 8 Ca 0.06 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 2wrj n PRO 8 Cb 0.54 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2wrj n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wrj n TYR 9 N 0.80 0.00 0.00 0.54 4.11 -1.26 -4.61 117.16 116.73 2wrj n TYR 9 Ca 0.29 -0.25 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 2wrj n TYR 9 Cb 0.58 -0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 2wrj n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2wrj n THR 10 N 0.49 0.00 -0.20 -3.48 5.66 -1.26 -5.08 114.28 110.40 2wrj n THR 10 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 2wrj n THR 10 Cb 0.31 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.31 2wrj n THR 10 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2wrj n PRO 11 N -0.59 -3.87 0.00 1.09 -0.04 -1.26 -2.01 135.00 128.31 2wrj n PRO 11 Ca 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2wrj n PRO 11 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2wrj n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wrj n SER 12 N -4.72 0.00 -0.00 3.54 3.41 -1.26 -4.30 113.62 110.29 2wrj n SER 12 Ca 0.10 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.76 2wrj n SER 12 Cb 0.44 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 2wrj n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wrj n ARG 13 N -1.08 2.77 -0.04 4.33 0.63 -0.85 -3.48 116.66 118.93 2wrj n ARG 13 Ca 0.00 -0.03 -0.15 0.00 -0.92 0.00 0.00 57.85 56.76 2wrj n ARG 13 Cb 0.00 -1.05 -0.04 0.00 0.45 0.00 0.00 32.46 31.82 2wrj n ARG 13 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 2wrj h ARG 14 N 0.00 0.79 0.11 -0.14 0.11 -1.70 -3.31 114.38 110.23 2wrj h ARG 14 Ca 0.00 -0.56 -0.01 0.00 0.10 0.00 0.00 59.98 59.52 2wrj h ARG 14 Cb 0.30 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2wrj h ARG 14 CO 0.00 1.18 -0.05 0.74 0.10 0.00 0.00 179.97 181.94 2wrj h PHE 15 N 0.58 -0.13 -0.90 4.08 0.05 -1.85 -3.42 116.94 115.34 2wrj h PHE 15 Ca -0.01 -0.00 -0.79 0.00 3.82 0.00 0.00 57.97 60.98 2wrj h PHE 15 Cb 1.25 0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.24 2wrj h PHE 15 CO 0.07 0.35 1.00 -0.12 -0.18 0.00 0.00 178.31 179.43 2wrj n MET 16 N -4.90 0.44 -4.88 1.51 1.56 -1.23 -4.81 117.12 104.81 2wrj n MET 16 Ca -0.08 0.15 -0.31 0.00 -0.27 0.00 0.00 57.70 57.19 2wrj n MET 16 Cb 0.28 -1.78 -0.14 0.00 2.15 0.00 0.00 33.22 33.73 2wrj n MET 16 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2wrj s THR 17 N 4.44 2.52 -0.08 1.12 -4.23 -0.91 -4.01 115.64 114.49 2wrj s THR 17 Ca 1.08 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2wrj s THR 17 Cb -1.31 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 70.55 2wrj s THR 17 CO 0.70 0.43 -0.13 0.54 -0.54 0.00 0.00 174.62 175.62 2wrj s VAL 18 N -0.80 1.24 0.44 2.29 0.11 -0.98 -3.44 120.40 119.26 2wrj s VAL 18 Ca 0.12 -0.52 -0.11 0.00 -2.93 0.00 0.00 61.98 58.55 2wrj s VAL 18 Cb -0.10 -1.13 -0.10 0.00 -1.53 0.00 0.00 36.38 33.52 2wrj s VAL 18 CO 0.02 0.38 -0.25 0.00 -3.33 0.00 0.00 175.10 171.93 2wrj n ALA 19 N 3.97 -3.26 -2.64 1.54 0.00 -1.26 -1.61 120.51 117.25 2wrj n ALA 19 Ca -0.21 -0.19 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 2wrj n ALA 19 Cb 0.52 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 2wrj n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wrj s ASP 20 N -0.64 6.47 -0.06 0.00 -1.08 -1.26 -4.38 116.67 115.72 2wrj s ASP 20 Ca 0.32 0.57 0.20 0.00 -0.52 0.00 0.00 52.55 53.11 2wrj s ASP 20 Cb -0.24 -2.28 0.67 0.00 -1.46 0.00 0.00 42.92 39.61 2wrj s ASP 20 CO 0.46 -0.22 1.57 0.49 0.52 0.00 0.00 175.17 177.99 2wrj n PHE 21 N 5.15 1.22 0.31 -5.34 0.99 -1.26 -4.20 117.46 114.33 2wrj n PHE 21 Ca -0.05 -0.53 0.04 0.00 -0.00 0.00 0.00 57.45 56.91 2wrj n PHE 21 Cb 0.50 -0.13 0.18 0.00 -1.00 0.00 0.00 39.48 39.04 2wrj n PHE 21 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2wrj n SER 22 N 1.32 0.00 0.00 4.37 3.41 -1.26 -3.12 113.62 118.34 2wrj n SER 22 Ca 0.24 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2wrj n SER 22 Cb 0.74 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wrj n SER 22 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wrj n GLU 23 N -1.46 0.00 0.00 4.33 -0.58 -1.26 -4.39 120.64 117.29 2wrj n GLU 23 Ca 0.02 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 2wrj n GLU 23 Cb 0.09 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2wrj n GLU 23 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2wrj n ILE 24 N -1.36 0.00 -0.97 -3.67 0.00 -1.18 -4.86 119.36 107.32 2wrj n ILE 24 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 62.75 63.59 2wrj n ILE 24 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 39.64 38.33 2wrj n ILE 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2wrj n THR 25 N -0.68 -0.55 -3.41 9.51 -1.04 -1.22 -4.26 114.28 112.64 2wrj n THR 25 Ca 0.00 0.34 -0.22 0.00 -2.04 0.00 0.00 64.05 62.14 2wrj n THR 25 Cb 0.00 -0.55 0.01 0.00 -1.82 0.00 0.00 70.33 67.97 2wrj n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2wrj n LYS 26 N -2.80 -1.77 0.00 -2.82 4.01 -1.26 -4.44 118.16 109.08 2wrj n LYS 26 Ca -0.01 1.34 0.00 0.00 -0.51 0.00 0.00 58.31 59.13 2wrj n LYS 26 Cb 0.17 -3.45 0.00 0.00 -0.51 0.00 0.00 35.03 31.24 2wrj n LYS 26 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2wrj n THR 27 N -1.31 0.00 0.01 -0.18 5.66 -1.26 -4.50 114.28 112.69 2wrj n THR 27 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2wrj n THR 27 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2wrj n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2wrj n GLU 28 N 0.00 0.00 -1.56 1.09 4.71 -1.26 -4.59 120.64 119.03 2wrj n GLU 28 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 57.16 56.64 2wrj n GLU 28 Cb 0.00 -0.10 -0.06 0.00 -1.01 0.00 0.00 31.44 30.27 2wrj n GLU 28 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2wrj n PRO 29 N -2.70 1.44 -0.89 3.49 -0.04 -1.26 -4.81 135.00 130.23 2wrj n PRO 29 Ca 0.00 0.46 -0.36 0.00 -0.04 0.00 0.00 63.50 63.56 2wrj n PRO 29 Cb 0.00 -2.51 0.08 0.00 -0.04 0.00 0.00 33.50 31.02 2wrj n PRO 29 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrj n GLU 30 N 7.40 -0.53 -2.79 0.54 -0.58 -1.26 -4.78 120.64 118.63 2wrj n GLU 30 Ca 0.33 -0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.49 2wrj n GLU 30 Cb 0.25 -1.22 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 2wrj n GLU 30 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2wrj s LYS 31 N -2.46 3.43 0.64 3.49 2.47 -1.26 -4.85 119.74 121.20 2wrj s LYS 31 Ca 0.42 -1.24 0.09 0.00 -1.56 0.00 0.00 55.97 53.68 2wrj s LYS 31 Cb 0.04 -4.76 0.32 0.00 -1.46 0.00 0.00 37.83 31.96 2wrj s LYS 31 CO 0.65 -1.91 1.11 1.03 0.16 0.00 0.00 175.35 176.38 2wrj h SER 32 N 9.35 0.00 0.00 1.43 0.87 -2.00 -2.50 113.55 120.70 2wrj h SER 32 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2wrj h SER 32 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2wrj h SER 32 CO 1.21 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 177.40 2wrj n LEU 33 N -2.75 0.77 0.00 2.23 0.00 -1.26 -4.33 117.00 111.66 2wrj n LEU 33 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 56.01 56.56 2wrj n LEU 33 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 44.43 2wrj n LEU 33 CO 0.08 -0.16 0.00 1.33 0.00 0.00 0.00 177.39 178.64 2wrj n VAL 34 N -0.99 0.00 0.00 1.96 0.24 -0.94 -4.51 118.33 114.09 2wrj n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wrj n VAL 34 Cb 0.00 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 2wrj n VAL 34 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wrj n LYS 35 N 0.00 0.00 0.00 7.34 0.00 -1.24 -4.73 118.16 119.53 2wrj n LYS 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2wrj n LYS 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2wrj n LYS 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wrj n PRO 36 N -0.52 0.00 -3.17 1.64 -0.04 -1.26 -3.97 135.00 127.68 2wrj n PRO 36 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2wrj n PRO 36 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2wrj n PRO 36 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wrj s LEU 37 N 0.00 -0.59 -0.14 1.53 0.20 -1.22 -4.95 118.68 113.50 2wrj s LEU 37 Ca 0.00 0.40 -0.37 0.00 0.69 0.00 0.00 54.13 54.85 2wrj s LEU 37 Cb 0.00 1.51 -0.14 0.00 -0.43 0.00 0.00 46.19 47.13 2wrj s LEU 37 CO 0.00 -0.11 1.77 1.17 -0.29 0.00 0.00 176.35 178.89 2wrj n LYS 38 N 5.43 1.68 -3.65 1.98 4.81 -1.26 -2.30 118.16 124.85 2wrj n LYS 38 Ca -0.06 0.61 -0.38 0.00 -0.87 0.00 0.00 58.31 57.61 2wrj n LYS 38 Cb 0.53 -2.37 -0.12 0.00 0.02 0.00 0.00 35.03 33.09 2wrj n LYS 38 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2wrj s LYS 39 N 3.43 3.72 -0.09 1.64 2.20 -1.26 -4.86 119.74 124.52 2wrj s LYS 39 Ca 0.94 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.93 2wrj s LYS 39 Cb -0.87 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 31.85 2wrj s LYS 39 CO 0.56 -0.24 0.41 0.99 -0.36 0.00 0.00 175.35 176.71 2wrj s THR 40 N 1.69 5.16 0.00 3.43 2.01 -1.26 -4.83 115.64 121.84 2wrj s THR 40 Ca 0.06 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2wrj s THR 40 Cb -0.16 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2wrj s THR 40 CO 0.08 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 2wrj n GLY 41 N 2.78 -1.62 1.83 4.40 0.00 -1.26 -5.04 105.19 106.28 2wrj n GLY 41 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2wrj n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 42 N 1.95 -4.97 0.88 -0.02 0.00 -1.26 -4.82 105.19 96.95 2wrj n GLY 42 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.82 2wrj n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrj n ARG 43 N 1.35 2.07 -1.37 1.61 -4.01 -1.26 -4.92 116.66 110.13 2wrj n ARG 43 Ca 0.00 -0.87 -0.01 0.00 -1.04 0.00 0.00 57.85 55.93 2wrj n ARG 43 Cb 0.00 -1.71 0.00 0.00 -3.04 0.00 0.00 32.46 27.71 2wrj n ARG 43 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 2wrj n ASN 44 N 0.17 -0.28 0.00 2.89 6.94 -1.26 -3.56 115.26 120.16 2wrj n ASN 44 Ca 0.08 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 2wrj n ASN 44 Cb 0.51 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 2wrj n ASN 44 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2wrj n ASN 45 N -1.11 0.00 -3.94 0.53 6.94 -1.17 -4.92 115.26 111.58 2wrj n ASN 45 Ca -0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.12 2wrj n ASN 45 Cb 0.07 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.50 2wrj n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wrj n GLN 46 N 0.00 4.05 0.00 -3.83 3.00 -1.26 -4.82 117.38 114.52 2wrj n GLN 46 Ca 0.00 -4.05 0.00 0.00 -0.01 0.00 0.00 57.00 52.94 2wrj n GLN 46 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 30.24 27.52 2wrj n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wrj n GLY 47 N 2.08 1.64 3.50 1.08 0.00 -1.26 -5.06 105.19 107.16 2wrj n GLY 47 Ca 0.33 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2wrj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 48 N 0.00 -2.08 -3.51 1.61 5.12 -1.26 -4.98 116.66 111.55 2wrj n ARG 48 Ca 0.00 -0.57 -0.38 0.00 -1.93 0.00 0.00 57.85 54.97 2wrj n ARG 48 Cb 0.00 -2.18 -0.06 0.00 -1.16 0.00 0.00 32.46 29.06 2wrj n ARG 48 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2wrj s ILE 49 N -2.44 5.15 -0.26 0.55 -4.36 -1.26 -3.07 121.20 115.52 2wrj s ILE 49 Ca 0.68 0.74 0.06 0.00 -0.26 0.00 0.00 60.65 61.87 2wrj s ILE 49 Cb -0.25 -3.68 -0.07 0.00 1.25 0.00 0.00 42.46 39.71 2wrj s ILE 49 CO 0.64 0.50 0.25 0.35 0.24 0.00 0.00 174.94 176.92 2wrj n THR 50 N 2.49 0.00 -3.66 8.37 -2.24 -1.23 -4.89 114.28 113.12 2wrj n THR 50 Ca -0.13 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 2wrj n THR 50 Cb 0.52 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 2wrj n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wrj s VAL 51 N -1.67 0.40 0.76 2.28 1.01 -1.23 -5.08 120.40 116.86 2wrj s VAL 51 Ca 0.02 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 2wrj s VAL 51 Cb 0.05 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2wrj s VAL 51 CO 0.25 -0.53 0.91 0.54 0.00 0.00 0.00 175.10 176.28 2wrj n ARG 52 N 5.07 0.34 -3.54 2.72 1.74 -1.26 -3.80 116.66 117.92 2wrj n ARG 52 Ca -0.06 0.17 -0.24 0.00 -0.77 0.00 0.00 57.85 56.96 2wrj n ARG 52 Cb 0.44 -2.18 0.07 0.00 -1.02 0.00 0.00 32.46 29.77 2wrj n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2wrj n PHE 53 N -2.76 -2.78 -4.35 -1.55 3.72 -1.26 -4.96 117.46 103.52 2wrj n PHE 53 Ca 0.12 0.96 -0.25 0.00 -0.05 0.00 0.00 57.45 58.23 2wrj n PHE 53 Cb 0.50 -4.96 -0.09 0.00 -0.94 0.00 0.00 39.48 34.00 2wrj n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wrj s ARG 54 N -6.26 2.06 0.00 -1.08 1.81 -1.25 -1.04 118.95 113.19 2wrj s ARG 54 Ca 0.56 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 2wrj s ARG 54 Cb -0.25 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.34 2wrj s ARG 54 CO 0.69 0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.84 2wrj n GLY 55 N -0.95 2.37 7.00 -3.53 0.00 -1.15 -4.70 105.19 104.23 2wrj n GLY 55 Ca -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2wrj n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 56 N -0.91 -0.03 0.90 -0.02 0.00 -1.26 -3.80 105.19 100.08 2wrj n GLY 56 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2wrj n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 57 N 0.00 -3.72 3.29 -0.02 0.00 -0.96 -4.48 105.19 99.31 2wrj n GLY 57 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 2wrj n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wrj n HIS 58 N -1.57 -2.45 -1.82 1.61 -0.00 -1.14 -4.84 115.22 105.01 2wrj n HIS 58 Ca 0.00 0.42 -0.38 0.00 -0.00 0.00 0.00 57.72 57.77 2wrj n HIS 58 Cb 0.14 -1.74 0.05 0.00 -0.00 0.00 0.00 29.99 28.44 2wrj n HIS 58 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2wrj s LYS 59 N -1.37 2.95 -0.04 1.57 2.47 -1.26 -4.99 119.74 119.08 2wrj s LYS 59 Ca 0.59 2.10 -0.01 0.00 -1.56 0.00 0.00 55.97 57.10 2wrj s LYS 59 Cb -0.46 -2.08 0.03 0.00 -1.46 0.00 0.00 37.83 33.85 2wrj s LYS 59 CO 0.64 -1.30 0.02 0.50 0.16 0.00 0.00 175.35 175.37 2wrj s ARG 60 N -3.11 0.25 -0.15 4.03 3.52 -1.26 -5.12 118.95 117.11 2wrj s ARG 60 Ca 0.76 0.17 -0.13 0.00 -0.13 0.00 0.00 55.73 56.40 2wrj s ARG 60 Cb -0.38 -0.59 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 2wrj s ARG 60 CO 0.42 -0.23 0.28 -1.17 -0.81 0.00 0.00 175.30 173.80 2wrj s LEU 61 N 1.54 4.27 -0.23 -0.88 1.98 -1.26 -4.11 118.68 119.99 2wrj s LEU 61 Ca -0.03 0.51 -0.24 0.00 -2.89 0.00 0.00 54.13 51.48 2wrj s LEU 61 Cb -0.13 -2.34 -0.01 0.00 0.66 0.00 0.00 46.19 44.37 2wrj s LEU 61 CO -0.03 0.14 0.81 -0.47 -1.89 0.00 0.00 176.35 174.91 2wrj s TYR 62 N 0.26 3.33 -0.17 5.38 6.14 -0.97 -4.83 117.35 126.49 2wrj s TYR 62 Ca 0.16 1.13 -0.17 0.00 0.64 0.00 0.00 57.07 58.83 2wrj s TYR 62 Cb -0.13 -3.02 -0.04 0.00 0.42 0.00 0.00 41.96 39.19 2wrj s TYR 62 CO 0.04 -0.35 0.44 1.03 0.64 0.00 0.00 175.55 177.35 2wrj s ARG 63 N 2.64 4.24 0.13 4.97 3.00 -1.26 -3.44 118.95 129.23 2wrj s ARG 63 Ca 0.35 0.32 -0.26 0.00 0.00 0.00 0.00 55.73 56.14 2wrj s ARG 63 Cb -0.16 -3.50 -0.07 0.00 0.00 0.00 0.00 34.95 31.23 2wrj s ARG 63 CO 0.08 0.03 0.79 -1.50 0.00 0.00 0.00 175.30 174.70 2wrj s ILE 64 N 1.07 4.48 0.04 1.52 2.07 -1.25 -4.95 121.20 124.17 2wrj s ILE 64 Ca 0.22 1.71 0.02 0.00 -1.41 0.00 0.00 60.65 61.19 2wrj s ILE 64 Cb -0.15 -4.15 -0.02 0.00 0.13 0.00 0.00 42.46 38.27 2wrj s ILE 64 CO 0.09 0.46 -0.06 0.27 -1.91 0.00 0.00 174.94 173.78 2wrj s ILE 65 N -0.74 0.42 -0.40 2.00 -0.00 -1.26 -4.42 121.20 116.79 2wrj s ILE 65 Ca 0.37 -1.04 -0.28 0.00 -0.00 0.00 0.00 60.65 59.70 2wrj s ILE 65 Cb -0.22 -0.51 -0.00 0.00 -0.00 0.00 0.00 42.46 41.72 2wrj s ILE 65 CO 0.26 -0.42 1.57 -0.62 -0.00 0.00 0.00 174.94 175.73 2wrj s ASP 66 N -1.55 6.12 -0.10 4.36 2.15 0.13 -4.85 116.67 122.92 2wrj s ASP 66 Ca -0.12 0.94 0.15 0.00 0.43 0.00 0.00 52.55 53.95 2wrj s ASP 66 Cb -0.10 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.47 2wrj s ASP 66 CO -0.00 -1.59 1.40 0.49 -0.17 0.00 0.00 175.17 175.30 2wrj n PHE 67 N 9.55 0.87 -3.22 -5.34 0.99 -1.26 -4.70 117.46 114.35 2wrj n PHE 67 Ca 0.19 -0.68 -0.01 0.00 -0.00 0.00 0.00 57.45 56.94 2wrj n PHE 67 Cb 0.48 -0.19 -0.02 0.00 -1.00 0.00 0.00 39.48 38.75 2wrj n PHE 67 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 2wrj s LYS 68 N -1.93 0.65 0.00 -1.08 -2.85 -1.26 -0.45 119.74 112.83 2wrj s LYS 68 Ca 0.36 -0.00 0.25 0.00 -1.00 0.00 0.00 55.97 55.58 2wrj s LYS 68 Cb 0.25 -0.00 1.18 0.00 -2.06 0.00 0.00 37.83 37.20 2wrj s LYS 68 CO 0.15 -1.12 1.82 -2.13 0.10 0.00 0.00 175.35 174.16 2wrj n ARG 69 N 4.87 0.21 0.00 1.78 0.63 -1.26 -3.82 116.66 119.07 2wrj n ARG 69 Ca 0.08 0.06 0.01 0.00 -0.92 0.00 0.00 57.85 57.07 2wrj n ARG 69 Cb 0.54 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.97 2wrj n ARG 69 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2wrj n TRP 70 N -1.37 0.00 -0.11 -0.14 2.14 -1.26 -3.01 117.44 113.69 2wrj n TRP 70 Ca 0.10 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.61 2wrj n TRP 70 Cb 0.23 -0.21 0.02 0.00 -0.81 0.00 0.00 31.31 30.55 2wrj n TRP 70 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2wrj h ASP 71 N 0.00 0.03 -3.11 -0.67 3.32 -2.04 -3.25 116.42 110.71 2wrj h ASP 71 Ca 0.00 0.06 -0.70 0.00 0.02 0.00 0.00 57.03 56.41 2wrj h ASP 71 Cb 0.01 0.07 -0.36 0.00 0.22 0.00 0.00 39.33 39.27 2wrj h ASP 71 CO 0.00 0.05 -0.07 0.29 -1.72 0.00 0.00 179.24 177.79 2wrj n LYS 72 N -5.08 2.81 -2.31 3.56 5.02 -1.16 -5.07 118.16 115.92 2wrj n LYS 72 Ca 0.02 -4.52 -0.34 0.00 -2.02 0.00 0.00 58.31 51.45 2wrj n LYS 72 Cb 0.16 -2.40 -0.01 0.00 -0.02 0.00 0.00 35.03 32.76 2wrj n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wrj s VAL 73 N -1.70 3.59 0.00 -0.18 1.01 -1.23 -3.12 120.40 118.76 2wrj s VAL 73 Ca 0.30 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2wrj s VAL 73 Cb -0.03 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2wrj s VAL 73 CO -0.09 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.34 2wrj n GLY 74 N -0.31 0.00 3.48 4.51 0.00 -1.19 -4.86 105.19 106.82 2wrj n GLY 74 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2wrj n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrj s ILE 75 N -0.67 4.59 0.49 -0.61 -1.09 -1.18 -4.94 121.20 117.78 2wrj s ILE 75 Ca 0.00 -0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.10 2wrj s ILE 75 Cb 0.00 -4.45 -0.07 0.00 -1.58 0.00 0.00 42.46 36.35 2wrj s ILE 75 CO 0.00 -1.02 1.12 -2.16 -1.23 0.00 0.00 174.94 171.65 2wrj s PRO 76 N 3.40 3.67 0.05 2.79 0.04 -1.26 -4.60 135.00 139.10 2wrj s PRO 76 Ca 0.23 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 2wrj s PRO 76 Cb -0.16 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2wrj s PRO 76 CO 0.15 -0.59 -0.03 0.00 0.04 0.00 0.00 177.00 176.57 2wrj s ALA 77 N -1.70 0.45 0.09 8.56 0.00 -1.01 -0.26 121.76 127.89 2wrj s ALA 77 Ca 0.67 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2wrj s ALA 77 Cb -0.24 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2wrj s ALA 77 CO 0.29 -0.29 0.08 0.21 0.00 0.00 0.00 175.76 176.05 2wrj s LYS 78 N -3.16 2.84 -0.46 0.00 2.20 0.55 -2.48 119.74 119.23 2wrj s LYS 78 Ca 0.01 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 2wrj s LYS 78 Cb 0.02 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 2wrj s LYS 78 CO -0.07 0.55 1.23 0.08 -0.36 0.00 0.00 175.35 176.78 2wrj s VAL 79 N -1.44 4.09 -0.01 4.02 1.01 -0.41 0.05 120.40 127.71 2wrj s VAL 79 Ca 0.29 1.10 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 2wrj s VAL 79 Cb -0.12 -4.49 -0.19 0.00 0.00 0.00 0.00 36.38 31.59 2wrj s VAL 79 CO 0.22 -0.95 1.24 0.00 0.00 0.00 0.00 175.10 175.61 2wrj h ALA 80 N 9.74 -0.10 0.00 5.51 0.00 0.31 -3.03 119.26 131.70 2wrj h ALA 80 Ca -0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wrj h ALA 80 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wrj h ALA 80 CO 1.12 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 180.04 2wrj n ALA 81 N -2.38 0.00 -2.81 0.00 0.00 -1.19 -4.88 120.51 109.25 2wrj n ALA 81 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 2wrj n ALA 81 Cb 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 2wrj n ALA 81 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wrj s ILE 82 N -2.00 5.15 0.37 0.00 1.01 -1.26 -0.51 121.20 123.97 2wrj s ILE 82 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.74 2wrj s ILE 82 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 2wrj s ILE 82 CO 0.00 0.56 0.04 -0.62 0.00 0.00 0.00 174.94 174.92 2wrj n GLU 83 N 2.54 0.92 -3.77 2.79 1.02 0.14 -4.25 120.64 120.02 2wrj n GLU 83 Ca -0.18 -2.83 -0.35 0.00 -0.02 0.00 0.00 57.16 53.77 2wrj n GLU 83 Cb 0.54 1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 32.87 2wrj n GLU 83 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2wrj s TYR 84 N -2.53 3.35 -0.11 -0.32 5.04 -1.26 -3.17 117.35 118.34 2wrj s TYR 84 Ca 0.05 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.93 2wrj s TYR 84 Cb 0.00 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.13 2wrj s TYR 84 CO 0.04 0.19 -0.17 0.34 -1.34 0.00 0.00 175.55 174.61 2wrj s ASP 85 N 0.56 3.66 0.00 4.32 -1.08 -1.26 -4.91 116.67 117.96 2wrj s ASP 85 Ca 0.07 -0.40 0.26 0.00 -0.52 0.00 0.00 52.55 51.96 2wrj s ASP 85 Cb -0.12 -1.44 0.77 0.00 -1.46 0.00 0.00 42.92 40.66 2wrj s ASP 85 CO 0.00 0.18 1.58 -0.81 0.52 0.00 0.00 175.17 176.64 2wrj n PRO 86 N 3.40 0.66 -0.56 4.34 -0.04 -1.26 -3.93 135.00 137.61 2wrj n PRO 86 Ca -0.18 -0.37 0.08 0.00 -0.04 0.00 0.00 63.50 62.99 2wrj n PRO 86 Cb 0.53 -1.49 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 2wrj n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wrj n ASN 87 N -0.85 4.39 -3.57 3.54 3.02 -1.26 -4.98 115.26 115.55 2wrj n ASN 87 Ca 0.11 -2.81 -0.17 0.00 -0.03 0.00 0.00 54.58 51.68 2wrj n ASN 87 Cb 0.34 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 2wrj n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrj s ARG 88 N -2.49 0.97 0.15 3.52 1.70 -1.25 -5.04 118.95 116.51 2wrj s ARG 88 Ca 0.45 0.31 -0.18 0.00 -0.47 0.00 0.00 55.73 55.84 2wrj s ARG 88 Cb 0.34 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 35.23 2wrj s ARG 88 CO 0.14 -0.28 1.69 0.66 -1.08 0.00 0.00 175.30 176.43 2wrj h SER 89 N 3.42 -0.27 -2.49 -2.89 4.64 -1.88 -3.44 113.55 110.65 2wrj h SER 89 Ca -0.28 0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 60.87 2wrj h SER 89 Cb 1.15 0.19 0.15 0.00 -0.31 0.00 0.00 62.40 63.58 2wrj h SER 89 CO 0.34 -0.09 -0.07 0.00 -0.87 0.00 0.00 176.83 176.14 2wrj n ALA 90 N -2.57 -3.37 -2.56 5.18 0.00 -1.26 -4.69 120.51 111.23 2wrj n ALA 90 Ca 0.01 -1.11 -0.22 0.00 0.00 0.00 0.00 53.44 52.11 2wrj n ALA 90 Cb 0.18 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.39 2wrj n ALA 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wrj s ARG 91 N -4.56 1.16 0.24 0.00 0.52 -1.26 -4.52 118.95 110.53 2wrj s ARG 91 Ca 0.48 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 55.19 2wrj s ARG 91 Cb -0.07 -1.13 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 2wrj s ARG 91 CO 0.39 0.31 0.36 0.96 0.02 0.00 0.00 175.30 177.34 2wrj s ILE 92 N -0.40 5.18 0.04 1.52 -0.00 -1.19 0.37 121.20 126.71 2wrj s ILE 92 Ca 0.05 -1.01 0.08 0.00 -0.00 0.00 0.00 60.65 59.78 2wrj s ILE 92 Cb -0.06 -3.82 -0.03 0.00 -0.00 0.00 0.00 42.46 38.55 2wrj s ILE 92 CO -0.00 -0.32 -0.24 0.00 -0.00 0.00 0.00 174.94 174.37 2wrj s ALA 93 N -1.99 2.07 -0.17 2.27 0.00 0.11 0.23 121.76 124.27 2wrj s ALA 93 Ca 0.34 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2wrj s ALA 93 Cb -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2wrj s ALA 93 CO 0.29 0.49 0.15 -1.17 0.00 0.00 0.00 175.76 175.51 2wrj s LEU 94 N -1.13 4.26 0.02 0.00 0.20 0.34 -1.95 118.68 120.42 2wrj s LEU 94 Ca 0.10 0.32 0.08 0.00 0.69 0.00 0.00 54.13 55.32 2wrj s LEU 94 Cb -0.10 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 2wrj s LEU 94 CO 0.02 0.23 -0.23 -0.76 -0.29 0.00 0.00 176.35 175.32 2wrj s LEU 95 N -0.00 2.13 -0.72 -0.68 1.02 -0.30 0.10 118.68 120.22 2wrj s LEU 95 Ca 0.11 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.64 2wrj s LEU 95 Cb -0.11 -1.11 0.19 0.00 0.02 0.00 0.00 46.19 45.17 2wrj s LEU 95 CO 0.00 0.22 0.63 -1.00 0.02 0.00 0.00 176.35 176.23 2wrj s HIS 96 N -0.71 3.60 0.31 0.29 3.76 0.11 -2.47 115.29 120.18 2wrj s HIS 96 Ca 0.09 -2.06 -0.29 0.00 -0.15 0.00 0.00 55.06 52.65 2wrj s HIS 96 Cb -0.09 -3.66 -0.10 0.00 1.11 0.00 0.00 32.58 29.84 2wrj s HIS 96 CO 0.01 -0.96 1.38 0.71 -0.85 0.00 0.00 174.74 175.03 2wrj s TYR 97 N 0.37 2.96 0.57 1.40 1.51 -0.97 -0.33 117.35 122.87 2wrj s TYR 97 Ca 0.15 1.25 0.29 0.00 -1.01 0.00 0.00 57.07 57.75 2wrj s TYR 97 Cb -0.16 -3.78 1.47 0.00 -0.11 0.00 0.00 41.96 39.38 2wrj s TYR 97 CO -0.06 -2.31 1.91 0.28 -1.11 0.00 0.00 175.55 174.27 2wrj h VAL 98 N 3.19 0.44 0.49 0.71 2.07 -0.95 -0.15 116.25 122.05 2wrj h VAL 98 Ca -0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2wrj h VAL 98 Cb 1.23 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2wrj h VAL 98 CO 0.69 0.00 -0.43 -0.78 0.02 0.00 0.00 177.57 177.07 2wrj h ASP 99 N 0.00 -1.16 0.00 0.57 -0.00 -1.87 -3.47 116.42 110.48 2wrj h ASP 99 Ca 0.26 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.37 2wrj h ASP 99 Cb 1.25 0.37 0.00 0.00 -0.00 0.00 0.00 39.33 40.96 2wrj h ASP 99 CO -0.00 -0.59 0.00 0.61 -0.00 0.00 0.00 179.24 179.26 2wrj n GLY 100 N -1.49 0.83 3.79 -0.78 0.00 -0.07 -5.13 105.19 102.33 2wrj n GLY 100 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2wrj n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrj s GLU 101 N 0.00 3.95 -0.07 1.61 2.12 -1.26 -4.81 118.70 120.24 2wrj s GLU 101 Ca 0.00 1.49 0.02 0.00 0.36 0.00 0.00 54.97 56.84 2wrj s GLU 101 Cb 0.00 -2.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 2wrj s GLU 101 CO 0.00 -0.32 -0.12 0.15 -0.54 0.00 0.00 175.26 174.43 2wrj s LYS 102 N -2.82 2.78 0.18 4.30 1.02 -1.26 -2.29 119.74 121.64 2wrj s LYS 102 Ca 0.63 -0.65 -0.04 0.00 0.02 0.00 0.00 55.97 55.92 2wrj s LYS 102 Cb -0.21 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2wrj s LYS 102 CO 0.25 0.54 0.18 1.03 -0.92 0.00 0.00 175.35 176.43 2wrj s ARG 103 N -0.49 1.17 -0.16 1.68 0.52 -1.03 -4.87 118.95 115.77 2wrj s ARG 103 Ca 0.07 -1.46 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 2wrj s ARG 103 Cb -0.12 0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 2wrj s ARG 103 CO 0.02 -0.40 -0.08 0.71 0.02 0.00 0.00 175.30 175.57 2wrj s TYR 104 N -4.08 2.91 0.01 -0.53 4.12 -1.26 -1.15 117.35 117.37 2wrj s TYR 104 Ca 0.30 -0.58 0.06 0.00 0.02 0.00 0.00 57.07 56.87 2wrj s TYR 104 Cb 0.05 -1.93 -0.02 0.00 -1.52 0.00 0.00 41.96 38.54 2wrj s TYR 104 CO 0.07 -0.21 -0.19 -1.50 0.02 0.00 0.00 175.55 173.74 2wrj s ILE 105 N 0.57 1.47 -0.18 2.71 1.10 -0.82 -0.69 121.20 125.35 2wrj s ILE 105 Ca -0.05 -0.91 -0.29 0.00 -0.51 0.00 0.00 60.65 58.89 2wrj s ILE 105 Cb -0.15 -1.25 -0.04 0.00 0.15 0.00 0.00 42.46 41.17 2wrj s ILE 105 CO 0.03 0.32 1.78 -0.51 -2.11 0.00 0.00 174.94 174.45 2wrj s ILE 106 N -0.56 3.46 0.00 2.00 2.07 -1.26 0.07 121.20 126.98 2wrj s ILE 106 Ca 0.07 0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 59.52 2wrj s ILE 106 Cb -0.08 -3.47 -0.07 0.00 0.13 0.00 0.00 42.46 38.98 2wrj s ILE 106 CO 0.00 -0.20 1.64 0.00 -1.91 0.00 0.00 174.94 174.47 2wrj s ALA 107 N 5.67 3.64 0.64 1.50 0.00 0.16 -4.81 121.76 128.55 2wrj s ALA 107 Ca 0.79 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.80 2wrj s ALA 107 Cb -0.29 -3.71 0.07 0.00 0.00 0.00 0.00 23.12 19.18 2wrj s ALA 107 CO 0.32 -1.24 0.90 -1.25 0.00 0.00 0.00 175.76 174.49 2wrj s PRO 108 N 3.34 2.18 0.56 0.00 0.04 -1.26 -4.48 135.00 135.38 2wrj s PRO 108 Ca 0.73 -0.78 -0.21 0.00 0.04 0.00 0.00 61.00 60.78 2wrj s PRO 108 Cb -0.36 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2wrj s PRO 108 CO 0.31 -1.07 1.30 0.34 0.04 0.00 0.00 177.00 177.92 2wrj s ASP 109 N -4.55 5.27 0.00 6.66 3.68 -0.94 -3.05 116.67 123.74 2wrj s ASP 109 Ca 0.61 2.62 0.00 0.00 2.13 0.00 0.00 52.55 57.91 2wrj s ASP 109 Cb -0.09 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 38.76 2wrj s ASP 109 CO 0.42 -1.56 0.00 0.61 0.13 0.00 0.00 175.17 174.77 2wrj n GLY 110 N 0.68 1.12 3.70 2.66 0.00 -1.26 -4.87 105.19 107.22 2wrj n GLY 110 Ca 0.11 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.59 2wrj n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wrj n LEU 111 N 0.00 2.72 -4.29 0.99 -0.00 -1.17 -4.94 117.00 110.30 2wrj n LEU 111 Ca 0.00 1.04 -0.18 0.00 -0.00 0.00 0.00 56.01 56.87 2wrj n LEU 111 Cb 0.00 -1.22 -0.11 0.00 -0.00 0.00 0.00 43.42 42.09 2wrj n LEU 111 CO 0.00 -0.33 -0.45 -1.10 -0.00 0.00 0.00 177.39 175.51 2wrj s GLN 112 N 3.52 1.18 0.22 1.96 -0.21 -1.26 -4.93 119.66 120.13 2wrj s GLN 112 Ca 0.95 -1.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 2wrj s GLN 112 Cb -0.93 -1.03 -0.09 0.00 1.00 0.00 0.00 33.01 31.95 2wrj s GLN 112 CO 0.60 0.19 1.40 0.08 -2.12 0.00 0.00 175.29 175.43 2wrj s VAL 113 N -2.52 2.88 0.00 1.09 1.01 -1.26 -2.50 120.40 119.10 2wrj s VAL 113 Ca 0.16 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2wrj s VAL 113 Cb -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2wrj s VAL 113 CO 0.05 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2wrj n GLY 114 N 2.40 0.64 3.97 4.51 0.00 -1.15 -5.01 105.19 110.55 2wrj n GLY 114 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2wrj n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wrj s GLN 115 N -0.71 2.47 -0.06 1.61 -0.21 -1.04 -4.88 119.66 116.84 2wrj s GLN 115 Ca 0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 2wrj s GLN 115 Cb 0.00 -2.44 0.04 0.00 1.00 0.00 0.00 33.01 31.61 2wrj s GLN 115 CO 0.00 -0.81 0.11 -1.14 -2.12 0.00 0.00 175.29 171.33 2wrj s GLN 116 N -4.84 -0.02 0.33 2.91 0.74 -1.26 -1.29 119.66 116.22 2wrj s GLN 116 Ca 0.58 0.47 0.08 0.00 0.05 0.00 0.00 55.36 56.54 2wrj s GLN 116 Cb -0.10 -0.40 -0.03 0.00 1.10 0.00 0.00 33.01 33.58 2wrj s GLN 116 CO 0.39 -0.32 0.22 0.54 -0.55 0.00 0.00 175.29 175.57 2wrj s VAL 117 N 2.23 3.45 0.17 1.34 0.11 -1.04 -4.93 120.40 121.73 2wrj s VAL 117 Ca 0.04 -1.51 -0.20 0.00 -2.93 0.00 0.00 61.98 57.38 2wrj s VAL 117 Cb -0.12 -3.12 0.05 0.00 -1.53 0.00 0.00 36.38 31.66 2wrj s VAL 117 CO -0.04 -0.20 0.55 0.54 -3.33 0.00 0.00 175.10 172.61 2wrj s VAL 118 N -2.33 0.02 0.00 2.04 0.11 -1.26 -2.40 120.40 116.59 2wrj s VAL 118 Ca 0.39 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2wrj s VAL 118 Cb -0.05 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.57 2wrj s VAL 118 CO 0.25 -0.10 0.00 0.00 -3.33 0.00 0.00 175.10 171.92 2wrj n ALA 119 N -0.34 0.00 0.00 1.54 0.00 -1.26 -2.26 120.51 118.18 2wrj n ALA 119 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2wrj n ALA 119 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2wrj n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 120 N 5.00 1.48 0.06 0.00 0.00 -1.10 -3.16 105.19 107.47 2wrj n GLY 120 Ca 0.00 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.34 2wrj n GLY 120 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wrj n PRO 121 N 1.45 0.07 0.07 1.61 -0.02 -1.26 -1.56 135.00 135.36 2wrj n PRO 121 Ca 0.00 0.45 -0.18 0.00 -2.02 0.00 0.00 63.50 61.76 2wrj n PRO 121 Cb 0.00 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 2wrj n PRO 121 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2wrj h ASP 122 N 0.00 0.44 -0.33 2.55 3.04 -1.94 -3.49 116.42 116.68 2wrj h ASP 122 Ca 0.00 -0.57 -0.28 0.00 -3.24 0.00 0.00 57.03 52.93 2wrj h ASP 122 Cb 0.13 -0.14 0.01 0.00 -1.04 0.00 0.00 39.33 38.29 2wrj h ASP 122 CO 0.00 1.47 0.15 0.00 -2.04 0.00 0.00 179.24 178.83 2wrj n ALA 123 N -2.66 -0.86 -2.22 4.15 0.00 -0.60 -4.80 120.51 113.52 2wrj n ALA 123 Ca -0.16 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2wrj n ALA 123 Cb 1.05 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2wrj n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wrj s PRO 124 N 0.64 4.28 -0.76 0.00 0.04 -1.26 -4.87 135.00 133.06 2wrj s PRO 124 Ca 0.33 1.97 -0.24 0.00 0.04 0.00 0.00 61.00 63.10 2wrj s PRO 124 Cb -0.47 -3.58 -0.16 0.00 0.04 0.00 0.00 34.50 30.32 2wrj s PRO 124 CO 0.24 -0.58 2.41 -0.89 0.04 0.00 0.00 177.00 178.22 2wrj n ILE 125 N 4.69 -0.03 -3.52 0.56 2.08 -1.26 -4.81 119.36 117.07 2wrj n ILE 125 Ca 0.13 -0.53 0.02 0.00 0.56 0.00 0.00 62.75 62.92 2wrj n ILE 125 Cb 0.44 -1.74 -0.05 0.00 -0.75 0.00 0.00 39.64 37.53 2wrj n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrj s GLN 126 N 8.44 0.14 0.00 0.38 -2.07 -1.26 -5.11 119.66 120.18 2wrj s GLN 126 Ca 1.06 0.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.87 2wrj s GLN 126 Cb -0.39 0.08 0.00 0.00 -1.09 0.00 0.00 33.01 31.61 2wrj s GLN 126 CO 0.26 -0.04 0.00 0.28 -1.32 0.00 0.00 175.29 174.48 2wrj n VAL 127 N 3.75 0.00 0.00 3.63 0.31 -1.26 -2.51 118.33 122.24 2wrj n VAL 127 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2wrj n VAL 127 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2wrj n VAL 127 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrj n GLY 128 N 0.00 2.08 3.08 2.92 0.00 -1.13 -4.96 105.19 107.18 2wrj n GLY 128 Ca 0.00 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 2wrj n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wrj n ASN 129 N 2.16 -5.20 -3.82 1.61 3.02 -1.05 -4.47 115.26 107.51 2wrj n ASN 129 Ca 0.00 0.20 -0.13 0.00 -0.03 0.00 0.00 54.58 54.61 2wrj n ASN 129 Cb 0.00 -0.83 -0.15 0.00 -0.61 0.00 0.00 39.78 38.19 2wrj n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrj s ALA 130 N -2.07 -0.02 0.23 5.41 0.00 -0.96 -1.83 121.76 122.52 2wrj s ALA 130 Ca 0.43 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 2wrj s ALA 130 Cb -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2wrj s ALA 130 CO 0.79 -0.06 0.48 -0.51 0.00 0.00 0.00 175.76 176.47 2wrj s LEU 131 N 0.47 0.31 0.22 0.00 1.02 -0.96 -2.72 118.68 117.02 2wrj s LEU 131 Ca -0.04 -0.84 -0.30 0.00 0.02 0.00 0.00 54.13 52.98 2wrj s LEU 131 Cb -0.05 1.83 -0.09 0.00 0.02 0.00 0.00 46.19 47.90 2wrj s LEU 131 CO -0.01 -1.12 1.26 -2.84 0.02 0.00 0.00 176.35 173.66 2wrj s PRO 132 N -3.99 4.43 0.23 1.29 0.02 -1.26 -1.76 135.00 133.97 2wrj s PRO 132 Ca 0.19 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 2wrj s PRO 132 Cb -0.01 -3.19 0.32 0.00 0.02 0.00 0.00 34.50 31.65 2wrj s PRO 132 CO 0.06 -0.16 1.42 1.28 -0.33 0.00 0.00 177.00 179.27 2wrj n LEU 133 N 2.17 -0.46 0.00 -5.54 4.77 -0.24 -0.28 117.00 117.43 2wrj n LEU 133 Ca 0.04 1.58 0.00 0.00 -0.03 0.00 0.00 56.01 57.60 2wrj n LEU 133 Cb 0.43 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2wrj n LEU 133 CO 0.57 -1.46 0.39 -2.11 -1.33 0.00 0.00 177.39 173.44 2wrj n ARG 134 N -5.41 0.00 0.00 3.23 1.85 -0.96 0.12 116.66 115.49 2wrj n ARG 134 Ca 0.12 0.15 0.03 0.00 -1.00 0.00 0.00 57.85 57.14 2wrj n ARG 134 Cb 0.41 -1.71 0.01 0.00 -1.05 0.00 0.00 32.46 30.12 2wrj n ARG 134 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2wrj n PHE 135 N -1.06 0.00 -3.02 2.89 3.01 0.62 -4.97 117.46 114.93 2wrj n PHE 135 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2wrj n PHE 135 Cb 0.21 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 2wrj n PHE 135 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2wrj s ILE 136 N -0.69 4.84 0.03 4.37 1.09 0.33 -5.00 121.20 126.18 2wrj s ILE 136 Ca 0.06 1.00 -0.39 0.00 -1.10 0.00 0.00 60.65 60.22 2wrj s ILE 136 Cb 0.04 -4.10 -0.19 0.00 -1.06 0.00 0.00 42.46 37.16 2wrj s ILE 136 CO 0.10 -0.23 1.17 -2.65 -0.10 0.00 0.00 174.94 173.22 2wrj n PRO 137 N 6.10 0.43 -1.68 2.79 -0.02 -1.26 -4.78 135.00 136.57 2wrj n PRO 137 Ca 0.02 0.15 -0.45 0.00 -2.02 0.00 0.00 63.50 61.21 2wrj n PRO 137 Cb 0.48 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 2wrj n PRO 137 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wrj n VAL 138 N 1.87 0.30 0.00 -1.45 3.14 -1.26 -2.43 118.33 118.50 2wrj n VAL 138 Ca 0.19 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 2wrj n VAL 138 Cb 0.12 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.00 2wrj n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wrj n GLY 139 N 4.03 0.55 3.78 7.55 0.00 -0.42 -5.00 105.19 115.68 2wrj n GLY 139 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2wrj n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wrj s THR 140 N -2.00 4.68 0.62 2.61 -4.23 -1.02 -4.69 115.64 111.61 2wrj s THR 140 Ca 0.00 1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 61.80 2wrj s THR 140 Cb 0.00 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 2wrj s THR 140 CO 0.00 0.48 1.05 0.68 -0.54 0.00 0.00 174.62 176.29 2wrj s VAL 141 N -0.71 4.03 0.14 2.29 -7.23 -1.26 -2.93 120.40 114.72 2wrj s VAL 141 Ca 0.33 0.84 -0.23 0.00 -1.81 0.00 0.00 61.98 61.11 2wrj s VAL 141 Cb -0.20 -3.46 0.07 0.00 0.56 0.00 0.00 36.38 33.34 2wrj s VAL 141 CO 0.21 -0.68 0.59 0.54 -0.31 0.00 0.00 175.10 175.45 2wrj s VAL 142 N -2.71 0.01 0.21 1.32 0.11 0.42 -2.36 120.40 117.39 2wrj s VAL 142 Ca 0.61 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.64 2wrj s VAL 142 Cb -0.14 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2wrj s VAL 142 CO 0.43 -0.02 0.10 0.00 -3.33 0.00 0.00 175.10 172.27 2wrj n HIS 143 N -0.25 -0.05 -4.00 1.54 1.44 0.17 -1.01 115.22 113.05 2wrj n HIS 143 Ca -0.17 -1.45 -0.34 0.00 -2.01 0.00 0.00 57.72 53.75 2wrj n HIS 143 Cb 0.64 0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.78 2wrj n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wrj n ALA 144 N -1.90 -2.31 -2.50 1.59 0.00 -0.14 -1.90 120.51 113.35 2wrj n ALA 144 Ca -0.08 -0.39 -0.26 0.00 0.00 0.00 0.00 53.44 52.72 2wrj n ALA 144 Cb 0.33 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.50 2wrj n ALA 144 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wrj s VAL 145 N -3.82 5.03 0.20 0.00 1.01 -0.01 -3.57 120.40 119.25 2wrj s VAL 145 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2wrj s VAL 145 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2wrj s VAL 145 CO 0.93 -0.65 0.37 -1.61 0.00 0.00 0.00 175.10 174.14 2wrj s GLU 146 N -4.41 3.48 -0.18 2.72 2.02 -0.93 -0.03 118.70 121.37 2wrj s GLU 146 Ca 0.43 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.96 2wrj s GLU 146 Cb -0.10 -2.87 -0.22 0.00 0.10 0.00 0.00 34.13 31.04 2wrj s GLU 146 CO 0.39 0.42 0.12 -0.11 0.02 0.00 0.00 175.26 176.09 2wrj n LEU 147 N -0.85 2.20 -4.05 1.80 7.94 -1.24 -4.87 117.00 117.93 2wrj n LEU 147 Ca -0.06 0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 2wrj n LEU 147 Cb 0.55 -0.66 -0.12 0.00 0.53 0.00 0.00 43.42 43.72 2wrj n LEU 147 CO 0.48 0.79 -0.41 -1.61 -1.11 0.00 0.00 177.39 175.53 2wrj s GLU 148 N -2.54 0.54 0.39 1.96 2.02 -1.26 -4.43 118.70 115.38 2wrj s GLU 148 Ca -0.24 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 53.84 2wrj s GLU 148 Cb 0.08 -0.38 -0.11 0.00 0.10 0.00 0.00 34.13 33.82 2wrj s GLU 148 CO 0.72 0.08 1.48 -1.25 0.02 0.00 0.00 175.26 176.31 2wrj s PRO 149 N -1.22 4.05 -0.31 0.39 0.04 -1.26 -2.59 135.00 134.10 2wrj s PRO 149 Ca -0.06 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2wrj s PRO 149 Cb -0.08 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2wrj s PRO 149 CO 0.00 -0.58 0.00 1.63 0.04 0.00 0.00 177.00 178.10 2wrj n LYS 150 N 0.36 -1.51 -0.10 4.56 4.76 -1.26 -4.79 118.16 120.19 2wrj n LYS 150 Ca 0.02 0.52 -0.19 0.00 -2.87 0.00 0.00 58.31 55.78 2wrj n LYS 150 Cb 0.40 -4.71 -0.12 0.00 -1.84 0.00 0.00 35.03 28.75 2wrj n LYS 150 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wrj n LYS 151 N -0.31 0.67 0.00 1.97 5.02 -1.07 -5.10 118.16 119.34 2wrj n LYS 151 Ca -0.03 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2wrj n LYS 151 Cb 0.42 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2wrj n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrj n GLY 152 N 2.15 3.42 3.78 0.72 0.00 -1.25 -5.06 105.19 108.94 2wrj n GLY 152 Ca -0.43 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 2wrj n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 153 N -2.28 2.62 0.00 4.61 0.00 0.40 -3.62 121.76 123.49 2wrj s ALA 153 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2wrj s ALA 153 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2wrj s ALA 153 CO 0.00 -0.96 0.00 1.63 0.00 0.00 0.00 175.76 176.43 2wrj n LYS 154 N -1.84 0.00 -3.76 0.00 5.02 0.96 -4.91 118.16 113.64 2wrj n LYS 154 Ca 0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 2wrj n LYS 154 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 2wrj n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wrj s LEU 155 N -1.49 4.39 -0.75 -0.35 1.02 -0.98 -4.61 118.68 115.90 2wrj s LEU 155 Ca 0.00 0.58 -0.03 0.00 0.02 0.00 0.00 54.13 54.70 2wrj s LEU 155 Cb 0.00 -2.54 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 2wrj s LEU 155 CO 0.00 0.29 0.68 0.00 0.02 0.00 0.00 176.35 177.34 2wrj n ALA 156 N 1.37 -2.21 -0.40 4.21 0.00 -1.26 -0.83 120.51 121.38 2wrj n ALA 156 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2wrj n ALA 156 Cb 0.53 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.65 2wrj n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrj n ARG 157 N -2.38 0.17 -2.11 0.00 1.74 -1.26 -0.97 116.66 111.85 2wrj n ARG 157 Ca -0.03 -0.56 -0.28 0.00 -0.77 0.00 0.00 57.85 56.21 2wrj n ARG 157 Cb 0.56 -0.80 0.05 0.00 -1.02 0.00 0.00 32.46 31.25 2wrj n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrj s ALA 158 N -0.19 3.05 0.15 7.54 0.00 -1.26 -4.57 121.76 126.47 2wrj s ALA 158 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 2wrj s ALA 158 Cb 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.23 2wrj s ALA 158 CO 0.00 -1.12 1.42 0.00 0.00 0.00 0.00 175.76 176.06 2wrj s ALA 159 N -3.24 3.62 0.00 0.00 0.00 -1.26 -2.98 121.76 117.90 2wrj s ALA 159 Ca 0.57 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2wrj s ALA 159 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2wrj s ALA 159 CO 0.48 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2wrj n GLY 160 N 3.30 0.29 3.95 0.00 0.00 -0.83 -4.66 105.19 107.23 2wrj n GLY 160 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2wrj n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wrj s THR 161 N -1.72 3.13 0.00 2.61 -4.23 -1.16 -4.60 115.64 109.67 2wrj s THR 161 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2wrj s THR 161 Cb 0.00 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2wrj s THR 161 CO 0.00 -0.17 0.00 -1.54 -0.54 0.00 0.00 174.62 172.37 2wrj n SER 162 N -2.41 0.00 -4.41 3.99 3.41 -1.26 -1.15 113.62 111.78 2wrj n SER 162 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 2wrj n SER 162 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 2wrj n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrj s ALA 163 N -2.00 2.28 -0.03 7.33 0.00 -0.18 -3.23 121.76 125.93 2wrj s ALA 163 Ca 0.00 -1.87 0.04 0.00 0.00 0.00 0.00 51.96 50.13 2wrj s ALA 163 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2wrj s ALA 163 CO 0.00 -0.06 -0.15 -1.14 0.00 0.00 0.00 175.76 174.41 2wrj s GLN 164 N -3.72 1.45 -0.05 0.00 0.74 -1.21 -0.43 119.66 116.43 2wrj s GLN 164 Ca 0.29 -0.53 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 2wrj s GLN 164 Cb 0.03 -1.31 -0.05 0.00 1.10 0.00 0.00 33.01 32.78 2wrj s GLN 164 CO 0.11 0.25 1.54 0.42 -0.55 0.00 0.00 175.29 177.06 2wrj s ILE 165 N -0.06 3.66 -0.17 -2.34 -1.09 -1.15 -2.65 121.20 117.40 2wrj s ILE 165 Ca -0.00 0.90 -0.13 0.00 -2.23 0.00 0.00 60.65 59.18 2wrj s ILE 165 Cb -0.09 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 2wrj s ILE 165 CO 0.01 -0.05 -0.21 1.67 -1.23 0.00 0.00 174.94 175.13 2wrj n GLN 166 N 6.51 0.49 -3.64 2.79 -0.06 0.12 -1.30 117.38 122.28 2wrj n GLN 166 Ca 0.16 0.42 -0.05 0.00 -2.00 0.00 0.00 57.00 55.52 2wrj n GLN 166 Cb 0.43 -1.60 0.02 0.00 -4.06 0.00 0.00 30.24 25.03 2wrj n GLN 166 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wrj n GLY 167 N 1.53 0.83 3.53 1.69 0.00 -1.18 -4.67 105.19 106.92 2wrj n GLY 167 Ca -0.14 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 2wrj n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 168 N -2.06 1.93 -0.36 1.61 0.52 -1.26 0.12 118.95 119.45 2wrj s ARG 168 Ca 0.18 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.22 2wrj s ARG 168 Cb -0.04 -2.14 0.17 0.00 0.52 0.00 0.00 34.95 33.47 2wrj s ARG 168 CO 0.08 0.46 0.50 -1.21 0.02 0.00 0.00 175.30 175.15 2wrj s GLU 169 N -2.48 0.64 5.85 3.54 2.02 0.82 -4.92 118.70 124.16 2wrj s GLU 169 Ca 0.22 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2wrj s GLU 169 Cb -0.10 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2wrj s GLU 169 CO 0.13 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.68 2wrj n GLY 170 N 4.70 3.02 0.28 -1.39 0.00 -1.26 -1.08 105.19 109.47 2wrj n GLY 170 Ca 0.08 -0.27 0.19 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 170 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wrj h ASP 171 N 6.06 0.00 -2.81 1.61 3.32 -2.00 -3.43 116.42 119.17 2wrj h ASP 171 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2wrj h ASP 171 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2wrj h ASP 171 CO 0.00 0.00 -0.50 -0.31 -1.72 0.00 0.00 179.24 176.71 2wrj s TYR 172 N -3.89 3.54 0.02 4.55 2.02 -0.24 0.20 117.35 123.55 2wrj s TYR 172 Ca -0.03 0.36 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 2wrj s TYR 172 Cb 0.11 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2wrj s TYR 172 CO 0.39 0.65 -0.23 0.54 -1.57 0.00 0.00 175.55 175.33 2wrj s VAL 173 N -1.30 2.36 -0.24 0.71 0.11 0.16 -0.13 120.40 122.06 2wrj s VAL 173 Ca 0.27 -1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 57.94 2wrj s VAL 173 Cb -0.13 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2wrj s VAL 173 CO 0.18 0.43 0.40 -0.63 -3.33 0.00 0.00 175.10 172.15 2wrj s ILE 174 N -0.78 5.17 0.29 7.04 1.01 0.32 -0.37 121.20 133.88 2wrj s ILE 174 Ca 0.12 0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.51 2wrj s ILE 174 Cb -0.10 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2wrj s ILE 174 CO 0.02 0.18 0.11 -0.76 0.00 0.00 0.00 174.94 174.49 2wrj s LEU 175 N 1.83 3.42 -0.44 2.97 1.43 0.12 0.14 118.68 128.15 2wrj s LEU 175 Ca 0.17 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2wrj s LEU 175 Cb -0.15 -1.94 0.13 0.00 0.03 0.00 0.00 46.19 44.26 2wrj s LEU 175 CO 0.09 -0.11 0.24 -0.60 0.23 0.00 0.00 176.35 176.19 2wrj s ARG 176 N -3.79 1.31 0.78 1.70 3.52 -1.09 -0.30 118.95 121.09 2wrj s ARG 176 Ca 0.34 -2.02 -0.14 0.00 -0.13 0.00 0.00 55.73 53.78 2wrj s ARG 176 Cb -0.06 -2.38 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 2wrj s ARG 176 CO 0.23 -1.16 1.00 1.28 -0.81 0.00 0.00 175.30 175.84 2wrj n LEU 177 N 3.54 3.46 0.09 -0.88 4.77 -0.64 -3.36 117.00 123.98 2wrj n LEU 177 Ca 0.08 0.60 0.15 0.00 -0.03 0.00 0.00 56.01 56.81 2wrj n LEU 177 Cb 0.34 -1.43 0.33 0.00 -2.33 0.00 0.00 43.42 40.34 2wrj n LEU 177 CO 0.25 -2.08 1.13 -0.65 -1.33 0.00 0.00 177.39 174.71 2wrj h PRO 178 N -0.66 0.00 -0.94 3.23 0.11 -1.88 0.67 132.00 132.53 2wrj h PRO 178 Ca -0.46 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.24 2wrj h PRO 178 Cb 1.31 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.18 2wrj h PRO 178 CO 0.45 0.00 0.51 0.43 -0.21 0.00 0.00 178.00 179.19 2wrj n SER 179 N -2.95 3.93 0.00 -2.05 7.64 -1.26 -4.89 113.62 114.04 2wrj n SER 179 Ca 0.10 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.60 2wrj n SER 179 Cb 1.11 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2wrj n SER 179 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wrj n GLY 180 N -0.77 1.71 3.65 0.23 0.00 0.23 -4.39 105.19 105.84 2wrj n GLY 180 Ca 0.50 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.09 2wrj n GLY 180 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wrj n GLU 181 N -0.37 1.75 -4.09 1.61 2.13 -1.23 -4.72 120.64 115.72 2wrj n GLU 181 Ca 0.00 0.61 -0.34 0.00 0.66 0.00 0.00 57.16 58.09 2wrj n GLU 181 Cb 0.00 -2.10 -0.10 0.00 0.27 0.00 0.00 31.44 29.51 2wrj n GLU 181 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2wrj s LEU 182 N -0.26 3.71 0.01 4.31 1.43 -1.19 -1.62 118.68 125.07 2wrj s LEU 182 Ca 0.58 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 2wrj s LEU 182 Cb -0.64 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 2wrj s LEU 182 CO 0.60 0.19 -0.00 -0.60 0.23 0.00 0.00 176.35 176.77 2wrj s ARG 183 N 0.30 0.30 -0.00 1.70 3.52 0.59 -0.18 118.95 125.17 2wrj s ARG 183 Ca 0.02 -0.51 -0.20 0.00 -0.13 0.00 0.00 55.73 54.91 2wrj s ARG 183 Cb -0.13 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.32 2wrj s ARG 183 CO 0.01 -0.05 0.58 0.15 -0.81 0.00 0.00 175.30 175.17 2wrj s LYS 184 N -1.28 4.29 0.01 5.12 1.02 0.85 0.11 119.74 129.87 2wrj s LYS 184 Ca -0.14 0.71 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2wrj s LYS 184 Cb -0.09 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2wrj s LYS 184 CO -0.01 0.40 -0.03 0.08 -0.92 0.00 0.00 175.35 174.87 2wrj s VAL 185 N -0.27 0.13 0.35 3.17 1.01 0.51 -4.86 120.40 120.44 2wrj s VAL 185 Ca 0.30 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2wrj s VAL 185 Cb -0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 36.38 35.88 2wrj s VAL 185 CO 0.17 -0.28 1.49 -2.28 0.00 0.00 0.00 175.10 174.19 2wrj s HIS 186 N -0.88 2.68 0.40 5.22 2.46 -1.26 0.40 115.29 124.31 2wrj s HIS 186 Ca -0.09 1.12 0.10 0.00 0.47 0.00 0.00 55.06 56.65 2wrj s HIS 186 Cb -0.06 -3.99 0.82 0.00 -0.13 0.00 0.00 32.58 29.22 2wrj s HIS 186 CO -0.00 -2.98 1.94 0.78 -2.47 0.00 0.00 174.74 172.01 2wrj h GLY 187 N 3.46 0.28 2.00 1.59 0.00 -0.56 -2.37 103.07 107.47 2wrj h GLY 187 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2wrj h GLY 187 CO 0.68 0.15 0.00 1.18 0.00 0.00 0.00 176.54 178.54 2wrj n GLU 188 N -4.31 0.17 -2.10 4.80 -0.58 -1.26 -2.06 120.64 115.30 2wrj n GLU 188 Ca -0.00 0.55 -0.41 0.00 -0.42 0.00 0.00 57.16 56.87 2wrj n GLU 188 Cb 0.23 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.14 2wrj n GLU 188 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrj s TYR 190 N -0.64 3.39 -0.03 0.00 1.51 -1.26 -1.08 117.35 119.25 2wrj s TYR 190 Ca 0.53 1.13 -0.21 0.00 -1.01 0.00 0.00 57.07 57.51 2wrj s TYR 190 Cb -0.40 -2.47 0.04 0.00 -0.11 0.00 0.00 41.96 39.03 2wrj s TYR 190 CO 0.48 0.10 0.45 0.00 -1.11 0.00 0.00 175.55 175.48 2wrj s ALA 191 N -2.00 -1.16 -0.18 3.71 0.00 -0.72 -2.19 121.76 119.21 2wrj s ALA 191 Ca 0.52 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 2wrj s ALA 191 Cb -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2wrj s ALA 191 CO 0.20 -0.30 -0.03 -0.08 0.00 0.00 0.00 175.76 175.55 2wrj s THR 192 N -1.26 3.80 0.43 0.00 -1.32 -0.80 -2.27 115.64 114.23 2wrj s THR 192 Ca -0.12 -0.38 -0.23 0.00 -1.21 0.00 0.00 61.69 59.75 2wrj s THR 192 Cb -0.03 -2.69 -0.12 0.00 -1.51 0.00 0.00 72.50 68.15 2wrj s THR 192 CO 0.06 0.46 0.67 0.55 -2.21 0.00 0.00 174.62 174.15 2wrj n VAL 193 N 4.01 2.02 0.00 5.08 3.14 -0.76 -0.65 118.33 131.17 2wrj n VAL 193 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2wrj n VAL 193 Cb 0.52 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 2wrj n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wrj n GLY 194 N 1.63 0.23 3.94 7.55 0.00 -1.00 -2.83 105.19 114.71 2wrj n GLY 194 Ca 0.11 -1.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 2wrj n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 195 N -1.65 3.90 0.35 4.61 0.00 -1.26 -1.16 121.76 126.55 2wrj s ALA 195 Ca 0.00 -1.15 0.28 0.00 0.00 0.00 0.00 51.96 51.09 2wrj s ALA 195 Cb 0.00 -1.70 1.55 0.00 0.00 0.00 0.00 23.12 22.96 2wrj s ALA 195 CO 0.00 0.39 1.85 0.28 0.00 0.00 0.00 175.76 178.28 2wrj h VAL 196 N 1.46 0.00 -3.68 0.00 2.07 -1.39 -2.49 116.25 112.21 2wrj h VAL 196 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2wrj h VAL 196 Cb 1.21 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2wrj h VAL 196 CO 0.65 0.00 -0.95 0.61 0.02 0.00 0.00 177.57 177.90 2wrj n GLY 197 N -1.21 -4.19 0.74 2.17 0.00 -1.26 -3.91 105.19 97.52 2wrj n GLY 197 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2wrj n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wrj n ASN 198 N -2.23 -1.19 0.30 1.61 4.05 -1.26 -1.97 115.26 114.57 2wrj n ASN 198 Ca 0.00 0.00 0.19 0.00 0.45 0.00 0.00 54.58 55.22 2wrj n ASN 198 Cb 0.37 -0.30 1.00 0.00 1.23 0.00 0.00 39.78 42.09 2wrj n ASN 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wrj h ALA 199 N 0.00 1.37 -0.11 5.20 0.00 -1.89 -1.94 119.26 121.89 2wrj h ALA 199 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wrj h ALA 199 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wrj h ALA 199 CO 0.00 -0.12 0.05 -0.44 0.00 0.00 0.00 179.25 178.74 2wrj h ASP 200 N 0.00 0.12 -0.51 0.00 3.32 -1.93 -3.23 116.42 114.19 2wrj h ASP 200 Ca 0.02 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.15 2wrj h ASP 200 Cb 0.21 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.64 2wrj h ASP 200 CO -0.00 0.11 -0.19 1.57 -1.72 0.00 0.00 179.24 179.01 2wrj n HIS 201 N -4.50 0.04 -0.29 4.55 -0.00 -0.73 0.50 115.22 114.79 2wrj n HIS 201 Ca -0.01 0.63 0.00 0.00 0.46 0.00 0.00 57.72 58.80 2wrj n HIS 201 Cb 0.10 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 2wrj n HIS 201 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2wrj n LYS 202 N -4.77 0.78 0.00 1.57 2.85 -1.22 -2.76 118.16 114.61 2wrj n LYS 202 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2wrj n LYS 202 Cb 0.21 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 2wrj n LYS 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2wrj n ASN 203 N 1.52 0.53 -4.72 -5.58 3.02 0.18 -5.06 115.26 105.16 2wrj n ASN 203 Ca 0.00 -0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 2wrj n ASN 203 Cb 0.39 0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 2wrj n ASN 203 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wrj s ILE 204 N -0.43 2.93 -0.45 2.41 -4.36 -1.11 -4.97 121.20 115.21 2wrj s ILE 204 Ca 0.00 0.67 -0.16 0.00 -0.26 0.00 0.00 60.65 60.91 2wrj s ILE 204 Cb 0.00 -3.43 0.05 0.00 1.25 0.00 0.00 42.46 40.33 2wrj s ILE 204 CO 0.00 0.06 0.38 -0.69 0.24 0.00 0.00 174.94 174.93 2wrj s VAL 205 N 1.04 5.22 0.00 8.37 1.01 -1.22 -4.97 120.40 129.84 2wrj s VAL 205 Ca 0.67 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2wrj s VAL 205 Cb -0.41 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2wrj s VAL 205 CO 0.32 -0.50 0.79 0.18 0.00 0.00 0.00 175.10 175.89 2wrj n LEU 206 N 5.26 0.00 0.00 3.92 4.77 -1.26 -2.14 117.00 127.55 2wrj n LEU 206 Ca -0.11 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2wrj n LEU 206 Cb 0.45 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2wrj n LEU 206 CO 0.46 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2wrj n GLY 207 N -0.99 2.21 0.00 -0.72 0.00 -1.26 -4.51 105.19 99.92 2wrj n GLY 207 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2wrj n GLY 207 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wrj n LYS 208 N 0.00 3.32 -0.05 1.61 2.85 -1.26 -4.75 118.16 119.88 2wrj n LYS 208 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2wrj n LYS 208 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 2wrj n LYS 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wrj h ALA 209 N 0.81 0.00 -3.00 0.58 0.00 -1.97 -3.40 119.26 112.29 2wrj h ALA 209 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wrj h ALA 209 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wrj h ALA 209 CO 0.00 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.63 2wrj n GLY 210 N 1.28 -3.05 5.00 0.00 0.00 -1.26 -2.82 105.19 104.35 2wrj n GLY 210 Ca -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2wrj n GLY 210 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrj n ARG 211 N -0.53 0.00 0.28 1.61 3.00 -1.26 -3.70 116.66 116.05 2wrj n ARG 211 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 2wrj n ARG 211 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 32.46 33.27 2wrj n ARG 211 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2wrj h SER 212 N 0.00 0.00 0.03 6.15 0.02 -1.73 -1.02 113.55 117.01 2wrj h SER 212 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2wrj h SER 212 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wrj h SER 212 CO 0.00 0.08 -0.41 0.03 -1.14 0.00 0.00 176.83 175.39 2wrj h ARG 213 N 0.00 0.07 0.00 3.45 2.47 -1.62 -0.64 114.38 118.11 2wrj h ARG 213 Ca -0.00 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2wrj h ARG 213 Cb 0.25 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2wrj h ARG 213 CO 0.01 1.06 0.14 0.91 0.56 0.00 0.00 179.97 182.65 2wrj n TRP 214 N -4.45 0.00 0.16 3.04 8.01 -0.67 0.27 117.44 123.80 2wrj n TRP 214 Ca -0.15 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.12 2wrj n TRP 214 Cb 0.60 -0.29 0.14 0.00 -2.01 0.00 0.00 31.31 29.74 2wrj n TRP 214 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2wrj n LEU 215 N -1.27 2.76 -1.69 -0.99 4.77 -0.48 -2.87 117.00 117.23 2wrj n LEU 215 Ca 0.00 -1.54 -0.10 0.00 -0.03 0.00 0.00 56.01 54.34 2wrj n LEU 215 Cb 0.14 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2wrj n LEU 215 CO 0.00 0.62 0.07 0.61 -1.33 0.00 0.00 177.39 177.36 2wrj n GLY 216 N 0.83 0.25 3.00 -0.72 0.00 0.76 -4.88 105.19 104.44 2wrj n GLY 216 Ca 0.12 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2wrj n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 217 N -5.37 1.60 0.75 1.61 0.52 -0.25 -2.91 118.95 114.90 2wrj s ARG 217 Ca 0.21 -1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 53.71 2wrj s ARG 217 Cb -0.09 -2.97 0.04 0.00 0.52 0.00 0.00 34.95 32.46 2wrj s ARG 217 CO 0.26 -0.83 1.08 1.03 0.02 0.00 0.00 175.30 176.86 2wrj s ARG 218 N 1.06 2.45 0.24 3.54 1.81 -0.21 -4.11 118.95 123.72 2wrj s ARG 218 Ca 0.05 1.10 -0.31 0.00 -1.72 0.00 0.00 55.73 54.84 2wrj s ARG 218 Cb -0.19 -1.92 -0.13 0.00 -0.45 0.00 0.00 34.95 32.26 2wrj s ARG 218 CO -0.09 -1.49 1.57 -0.35 -0.68 0.00 0.00 175.30 174.27 2wrj n PRO 219 N -3.41 2.45 -3.47 3.54 -0.04 -1.26 -4.83 135.00 127.97 2wrj n PRO 219 Ca 0.09 0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 63.99 2wrj n PRO 219 Cb 0.53 -2.64 -0.08 0.00 -0.04 0.00 0.00 33.50 31.27 2wrj n PRO 219 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2wrj s HIS 220 N 0.40 3.30 0.11 0.54 2.46 -1.26 -4.81 115.29 116.01 2wrj s HIS 220 Ca 0.70 -1.27 -0.28 0.00 0.47 0.00 0.00 55.06 54.68 2wrj s HIS 220 Cb -0.57 -3.20 -0.06 0.00 -0.13 0.00 0.00 32.58 28.62 2wrj s HIS 220 CO 0.43 -0.86 0.86 0.54 -2.47 0.00 0.00 174.74 173.25 2wrj s VAL 221 N 1.53 4.53 0.55 0.89 0.11 -1.26 -5.04 120.40 121.72 2wrj s VAL 221 Ca 0.04 1.87 -0.16 0.00 -2.93 0.00 0.00 61.98 60.79 2wrj s VAL 221 Cb -0.25 -4.23 -0.06 0.00 -1.53 0.00 0.00 36.38 30.32 2wrj s VAL 221 CO 0.04 0.38 1.02 -0.13 -3.33 0.00 0.00 175.10 173.08 2wrj s ARG 222 N -0.28 3.65 0.00 1.54 0.52 -1.26 -5.00 118.95 118.12 2wrj s ARG 222 Ca 0.42 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 2wrj s ARG 222 Cb -0.23 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.16 2wrj s ARG 222 CO 0.27 -0.53 0.93 0.41 0.02 0.00 0.00 175.30 176.40 2wrj n GLY 223 N -1.31 -2.83 3.58 -3.53 0.00 -1.26 -3.80 105.19 96.04 2wrj n GLY 223 Ca 0.08 0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2wrj n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 224 N -3.30 2.35 0.00 4.61 0.00 -1.26 -0.70 121.76 123.46 2wrj s ALA 224 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2wrj s ALA 224 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2wrj s ALA 224 CO 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 175.76 172.36 2wrj n ALA 225 N 12.92 0.00 -1.84 0.00 0.00 -1.25 -4.96 120.51 125.38 2wrj n ALA 225 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 2wrj n ALA 225 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 2wrj n ALA 225 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wrj n MET 226 N 0.00 -0.06 -4.37 0.00 2.81 0.12 -4.92 117.12 110.70 2wrj n MET 226 Ca 0.00 -0.84 -0.24 0.00 -1.81 0.00 0.00 57.70 54.80 2wrj n MET 226 Cb 0.00 -0.36 -0.09 0.00 -0.71 0.00 0.00 33.22 32.06 2wrj n MET 226 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2wrj s ASN 227 N -2.59 4.11 0.10 7.83 -0.87 -1.26 -2.33 114.94 119.92 2wrj s ASN 227 Ca 0.25 -0.93 -0.00 0.00 -1.57 0.00 0.00 52.86 50.61 2wrj s ASN 227 Cb -0.01 -0.54 0.21 0.00 -0.02 0.00 0.00 41.25 40.89 2wrj s ASN 227 CO 0.17 -0.12 0.50 -2.65 -2.57 0.00 0.00 177.10 172.43 2wrj n PRO 228 N -0.86 -0.03 -0.13 -0.60 -0.02 -1.26 0.24 135.00 132.35 2wrj n PRO 228 Ca -0.05 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 61.86 2wrj n PRO 228 Cb 0.61 -0.76 0.13 0.00 -0.02 0.00 0.00 33.50 33.46 2wrj n PRO 228 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2wrj h VAL 229 N 0.00 1.25 0.00 -1.45 -1.51 -1.94 -3.25 116.25 109.36 2wrj h VAL 229 Ca 0.18 -1.07 -0.18 0.00 -1.23 0.00 0.00 66.70 64.41 2wrj h VAL 229 Cb 0.35 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.37 2wrj h VAL 229 CO -0.31 0.38 -1.01 0.44 -1.23 0.00 0.00 177.57 175.83 2wrj h ASP 230 N 0.78 0.00 -3.56 4.19 3.32 0.27 -3.48 116.42 117.95 2wrj h ASP 230 Ca 0.15 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.26 2wrj h ASP 230 Cb 0.50 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.80 2wrj h ASP 230 CO 0.02 0.74 0.49 -2.28 -1.72 0.00 0.00 179.24 176.50 2wrj s HIS 231 N -2.83 -0.43 0.18 4.55 5.04 -0.93 -4.92 115.29 115.96 2wrj s HIS 231 Ca 0.00 0.94 -0.17 0.00 -1.54 0.00 0.00 55.06 54.29 2wrj s HIS 231 Cb 0.09 0.40 0.15 0.00 0.04 0.00 0.00 32.58 33.25 2wrj s HIS 231 CO 0.79 -0.27 1.63 -1.00 -2.34 0.00 0.00 174.74 173.55 2wrj h PRO 232 N 3.54 -0.06 -0.76 2.88 0.13 -1.80 -0.56 132.00 135.36 2wrj h PRO 232 Ca -0.24 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.02 2wrj h PRO 232 Cb 1.17 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2wrj h PRO 232 CO 0.19 -0.04 0.50 0.45 -0.23 0.00 0.00 178.00 178.87 2wrj h HIS 233 N -0.07 0.56 -1.88 1.56 3.86 -1.87 -3.45 115.15 113.87 2wrj h HIS 233 Ca 0.23 0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 58.93 2wrj h HIS 233 Cb 0.43 -0.18 0.21 0.00 1.06 0.00 0.00 27.41 28.92 2wrj h HIS 233 CO -0.46 0.23 -1.51 0.41 0.86 0.00 0.00 177.93 177.45 2wrj n GLY 234 N -1.50 -3.90 0.00 2.45 0.00 -0.22 -4.56 105.19 97.47 2wrj n GLY 234 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2wrj n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 235 N 2.95 -0.59 1.39 -0.02 0.00 -0.99 -4.13 105.19 103.80 2wrj n GLY 235 Ca 0.02 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2wrj n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 236 N 0.00 -4.65 3.57 -0.02 0.00 -1.26 -4.74 105.19 98.08 2wrj n GLY 236 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2wrj n GLY 236 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrj s GLU 237 N -1.87 2.69 0.00 1.61 0.41 -1.26 -4.47 118.70 115.81 2wrj s GLU 237 Ca 0.00 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2wrj s GLU 237 Cb 0.00 -5.16 0.00 0.00 -1.78 0.00 0.00 34.13 27.19 2wrj s GLU 237 CO 0.00 -3.39 0.00 0.41 -0.49 0.00 0.00 175.26 171.79 2wrj n GLY 238 N 6.53 -1.70 0.59 -1.39 0.00 -1.26 -5.00 105.19 102.95 2wrj n GLY 238 Ca 0.41 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wrj n GLY 238 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrj n ARG 239 N 1.02 0.00 -3.64 1.61 3.00 -1.26 -5.01 116.66 112.38 2wrj n ARG 239 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 2wrj n ARG 239 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 32.46 32.23 2wrj n ARG 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrj s ALA 240 N 0.00 -0.95 0.00 5.13 0.00 -1.26 -5.05 121.76 119.63 2wrj s ALA 240 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2wrj s ALA 240 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2wrj s ALA 240 CO 0.00 -0.67 1.24 -0.35 0.00 0.00 0.00 175.76 175.98 2wrj n PRO 241 N -0.25 0.67 0.00 0.00 -0.04 -1.26 -4.89 135.00 129.24 2wrj n PRO 241 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2wrj n PRO 241 Cb 0.64 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2wrj n PRO 241 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrj n ARG 242 N 1.51 0.00 0.00 0.54 1.74 -1.26 -3.83 116.66 115.36 2wrj n ARG 242 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrj n ARG 242 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 2wrj n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrj n GLY 243 N 0.00 0.31 0.14 -0.13 0.00 -1.26 -4.79 105.19 99.46 2wrj n GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrj n ARG 244 N 0.00 -0.37 -4.84 1.61 0.63 -1.25 -5.06 116.66 107.37 2wrj n ARG 244 Ca 0.00 0.28 -0.33 0.00 -0.92 0.00 0.00 57.85 56.89 2wrj n ARG 244 Cb 0.00 -0.34 -0.13 0.00 0.45 0.00 0.00 32.46 32.44 2wrj n ARG 244 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2wrj s PRO 245 N -4.75 2.60 0.00 -0.14 0.04 -1.26 -5.06 135.00 126.43 2wrj s PRO 245 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.37 2wrj s PRO 245 Cb 0.00 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2wrj s PRO 245 CO 0.00 0.60 0.00 -2.30 0.04 0.00 0.00 177.00 175.34 2wrj n PRO 246 N 2.39 0.00 -3.53 0.56 -0.02 -1.26 -4.84 135.00 128.30 2wrj n PRO 246 Ca -0.17 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.13 2wrj n PRO 246 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.94 2wrj n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrj s ALA 247 N 0.00 -1.78 0.53 3.55 0.00 -1.26 -3.11 121.76 119.69 2wrj s ALA 247 Ca 0.00 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 2wrj s ALA 247 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2wrj s ALA 247 CO 0.00 -0.36 0.90 -1.54 0.00 0.00 0.00 175.76 174.75 2wrj s SER 248 N -1.11 6.30 0.64 0.00 1.04 -0.29 -4.72 113.70 115.56 2wrj s SER 248 Ca -0.10 1.19 0.20 0.00 0.48 0.00 0.00 55.95 57.72 2wrj s SER 248 Cb -0.00 -2.36 1.01 0.00 0.10 0.00 0.00 66.02 64.77 2wrj s SER 248 CO 0.09 -0.68 1.55 1.55 0.98 0.00 0.00 173.24 176.73 2wrj h PRO 249 N 0.15 0.00 -0.00 4.02 0.13 -1.92 0.52 132.00 134.90 2wrj h PRO 249 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wrj h PRO 249 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wrj h PRO 249 CO 0.62 0.00 -0.40 0.91 -0.23 0.00 0.00 178.00 178.90 2wrj n TRP 250 N -2.97 0.00 0.00 1.56 8.01 -1.26 -4.57 117.44 118.21 2wrj n TRP 250 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 2wrj n TRP 250 Cb 0.78 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 2wrj n TRP 250 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wrj n GLY 251 N 1.43 1.74 3.77 6.99 0.00 0.18 -5.10 105.19 114.20 2wrj n GLY 251 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2wrj n GLY 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wrj s TRP 252 N -1.88 3.43 0.64 1.61 1.48 -1.26 -4.67 118.94 118.30 2wrj s TRP 252 Ca 0.00 1.67 -0.17 0.00 -1.06 0.00 0.00 56.10 56.53 2wrj s TRP 252 Cb 0.00 -3.25 -0.03 0.00 -1.16 0.00 0.00 33.47 29.03 2wrj s TRP 252 CO 0.00 -0.66 0.97 1.04 -4.06 0.00 0.00 176.95 174.25 2wrj n GLN 253 N 0.69 0.78 -0.31 3.25 6.02 -1.26 -1.14 117.38 125.41 2wrj n GLN 253 Ca 0.01 0.31 0.02 0.00 -0.01 0.00 0.00 57.00 57.33 2wrj n GLN 253 Cb 0.46 -2.20 0.02 0.00 1.02 0.00 0.00 30.24 29.55 2wrj n GLN 253 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2wrj n THR 254 N -2.00 0.38 -3.79 5.09 5.66 -1.18 -4.74 114.28 113.71 2wrj n THR 254 Ca 0.14 -0.45 -0.29 0.00 -3.05 0.00 0.00 64.05 60.40 2wrj n THR 254 Cb 0.48 0.46 -0.12 0.00 -1.55 0.00 0.00 70.33 69.60 2wrj n THR 254 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2wrj s LYS 255 N -0.56 1.90 0.00 1.09 -0.14 -1.26 -4.86 119.74 115.91 2wrj s LYS 255 Ca 0.06 -2.76 0.00 0.00 -1.36 0.00 0.00 55.97 51.91 2wrj s LYS 255 Cb 0.05 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 2wrj s LYS 255 CO 0.01 -1.25 0.00 0.41 -0.76 0.00 0.00 175.35 173.76 2wrj n GLY 256 N 2.62 0.71 2.89 -3.33 0.00 -1.26 -5.05 105.19 101.77 2wrj n GLY 256 Ca 0.16 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2wrj n GLY 256 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wrj s LEU 257 N -2.51 3.72 0.42 0.99 0.20 -1.26 -5.09 118.68 115.15 2wrj s LEU 257 Ca 0.00 -2.22 -0.25 0.00 0.69 0.00 0.00 54.13 52.35 2wrj s LEU 257 Cb 0.00 -1.34 -0.10 0.00 -0.43 0.00 0.00 46.19 44.32 2wrj s LEU 257 CO 0.00 -0.35 1.22 0.29 -0.29 0.00 0.00 176.35 177.22 2wrj n LYS 258 N 4.13 1.81 -0.01 1.98 5.02 -1.26 -4.95 118.16 124.89 2wrj n LYS 258 Ca 0.03 0.65 -0.04 0.00 -2.02 0.00 0.00 58.31 56.92 2wrj n LYS 258 Cb 0.39 -2.32 -0.01 0.00 -0.02 0.00 0.00 35.03 33.07 2wrj n LYS 258 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wrj n THR 259 N -0.27 0.82 -0.62 -0.18 -1.04 -1.26 -5.07 114.28 106.66 2wrj n THR 259 Ca 0.07 0.13 -0.21 0.00 -2.04 0.00 0.00 64.05 62.00 2wrj n THR 259 Cb 0.39 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 67.22 2wrj n THR 259 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2wrj n ARG 260 N -3.49 0.00 -1.76 -2.82 -4.01 -1.26 -4.63 116.66 98.69 2wrj n ARG 260 Ca -0.08 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.31 2wrj n ARG 260 Cb 0.35 -0.44 -0.03 0.00 -3.04 0.00 0.00 32.46 29.30 2wrj n ARG 260 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 2wrj s LYS 261 N -0.44 4.15 0.21 2.89 2.20 -1.26 -4.92 119.74 122.56 2wrj s LYS 261 Ca 0.28 2.55 -0.12 0.00 -0.36 0.00 0.00 55.97 58.32 2wrj s LYS 261 Cb -0.40 -3.43 0.25 0.00 -1.51 0.00 0.00 37.83 32.74 2wrj s LYS 261 CO 0.25 -0.79 1.66 -0.09 -0.36 0.00 0.00 175.35 176.02 2wrj h ARG 262 N 7.97 0.08 -0.64 4.03 2.43 -2.01 -2.58 114.38 123.66 2wrj h ARG 262 Ca -0.45 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2wrj h ARG 262 Cb 1.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2wrj h ARG 262 CO 0.95 0.05 0.00 0.54 -1.51 0.00 0.00 179.97 180.00 2wrj n ARG 263 N -5.31 2.54 -1.68 0.20 1.74 -1.26 -4.98 116.66 107.92 2wrj n ARG 263 Ca 0.08 -2.39 -0.53 0.00 -0.77 0.00 0.00 57.85 54.24 2wrj n ARG 263 Cb 0.33 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2wrj n ARG 263 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wrj n LYS 264 N 1.46 1.56 0.17 5.56 4.81 -0.98 -4.82 118.16 125.93 2wrj n LYS 264 Ca 0.22 0.57 0.13 0.00 -0.87 0.00 0.00 58.31 58.36 2wrj n LYS 264 Cb 0.57 -2.30 0.67 0.00 0.02 0.00 0.00 35.03 33.99 2wrj n LYS 264 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2wrj h PRO 265 N 7.16 0.00 0.00 1.64 0.13 -1.93 -1.91 132.00 137.09 2wrj h PRO 265 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wrj h PRO 265 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2wrj h PRO 265 CO 0.92 0.00 0.10 0.45 -0.23 0.00 0.00 178.00 179.23 2wrj n SER 266 N -4.44 0.00 -2.28 1.44 2.88 -1.26 -4.37 113.62 105.60 2wrj n SER 266 Ca 0.01 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2wrj n SER 266 Cb 0.27 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wrj n SER 266 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2wrj n SER 267 N -1.24 0.00 0.00 -3.46 7.64 -0.72 -3.75 113.62 112.10 2wrj n SER 267 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wrj n SER 267 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2wrj n SER 267 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wrj n ARG 268 N 0.00 0.00 -0.01 1.43 1.74 -1.26 -4.00 116.66 114.56 2wrj n ARG 268 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2wrj n ARG 268 Cb 0.00 -2.47 -0.07 0.00 -1.02 0.00 0.00 32.46 28.90 2wrj n ARG 268 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2wrj n PHE 269 N -0.90 0.00 -2.99 -1.55 3.72 -1.25 -4.94 117.46 109.56 2wrj n PHE 269 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 2wrj n PHE 269 Cb 0.00 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.27 2wrj n PHE 269 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2wrj s ILE 270 N -2.54 4.84 0.00 4.37 -5.25 -1.26 -0.10 121.20 121.26 2wrj s ILE 270 Ca -0.03 1.59 0.00 0.00 -0.99 0.00 0.00 60.65 61.22 2wrj s ILE 270 Cb 0.05 -4.10 0.00 0.00 2.95 0.00 0.00 42.46 41.36 2wrj s ILE 270 CO 0.35 0.32 0.06 -0.38 -1.79 0.00 0.00 174.94 173.49 2wrj n ILE 271 N 3.17 0.00 -3.76 8.37 5.41 0.74 -4.99 119.36 128.30 2wrj n ILE 271 Ca -0.02 -0.41 -0.12 0.00 1.00 0.00 0.00 62.75 63.20 2wrj n ILE 271 Cb 0.51 1.03 -0.12 0.00 -0.71 0.00 0.00 39.64 40.34 2wrj n ILE 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrj s ALA 272 N -0.70 -0.65 0.00 -1.39 0.00 -1.22 -4.87 121.76 112.92 2wrj s ALA 272 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2wrj s ALA 272 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2wrj s ALA 272 CO 0.00 -0.16 0.33 -2.13 0.00 0.00 0.00 175.76 173.81 2wrj n ARG 273 N 3.44 0.00 0.00 0.00 0.63 -1.26 -3.13 116.66 116.34 2wrj n ARG 273 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2wrj n ARG 273 Cb 0.56 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.65 2wrj n ARG 273 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wrj n ARG 274 N -0.47 0.00 -3.77 -0.14 1.74 -1.26 -3.55 116.66 109.21 2wrj n ARG 274 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2wrj n ARG 274 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 2wrj n ARG 274 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wrj s LYS 275 N 4.97 0.57 0.00 5.56 0.00 -1.26 -4.76 119.74 124.82 2wrj s LYS 275 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 55.97 55.96 2wrj s LYS 275 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2wrj s LYS 275 CO 0.00 -0.14 0.00 1.17 0.00 0.00 0.00 175.35 176.38