#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LEU 3 N 0.00 0.21 -0.01 1.53 7.94 -1.26 -5.11 117.00 120.31 2wrj n LEU 3 Ca 0.00 -0.46 0.00 0.00 -1.11 0.00 0.00 56.01 54.44 2wrj n LEU 3 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wrj n LEU 3 CO 0.00 0.05 0.00 -0.90 -1.11 0.00 0.00 177.39 175.43 2wrj n ASP 4 N -1.17 0.00 -3.88 1.96 5.75 -1.26 -5.04 116.55 112.92 2wrj n ASP 4 Ca 0.01 0.01 -0.15 0.00 -0.01 0.00 0.00 54.79 54.65 2wrj n ASP 4 Cb 0.08 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.02 2wrj n ASP 4 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2wrj s VAL 5 N -0.00 0.17 0.00 2.12 1.01 -1.26 -5.05 120.40 117.39 2wrj s VAL 5 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2wrj s VAL 5 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2wrj s VAL 5 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.18 2wrj n ALA 6 N 3.39 0.00 -0.30 5.51 0.00 -1.26 0.80 120.51 128.64 2wrj n ALA 6 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 2wrj n ALA 6 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 2wrj n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrj n LEU 7 N -0.20 -0.77 0.00 0.00 4.77 -1.26 0.05 117.00 119.59 2wrj n LEU 7 Ca 0.00 1.29 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 2wrj n LEU 7 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2wrj n LEU 7 CO 0.00 -1.05 0.33 1.17 -1.33 0.00 0.00 177.39 176.51 2wrj n LYS 8 N -4.90 0.00 0.16 3.23 3.00 0.24 0.32 118.16 120.20 2wrj n LYS 8 Ca 0.01 0.67 -0.14 0.00 -0.00 0.00 0.00 58.31 58.85 2wrj n LYS 8 Cb 0.19 -1.05 -0.08 0.00 0.00 0.00 0.00 35.03 34.09 2wrj n LYS 8 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wrj h ARG 9 N 0.00 -0.33 -0.84 1.64 2.43 -1.39 0.08 114.38 115.97 2wrj h ARG 9 Ca 0.00 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.43 2wrj h ARG 9 Cb 0.00 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2wrj h ARG 9 CO 0.00 -0.17 0.60 -0.22 -1.51 0.00 0.00 179.97 178.68 2wrj h LYS 10 N -0.42 0.01 0.10 0.20 1.63 0.63 1.15 116.57 119.87 2wrj h LYS 10 Ca -0.04 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2wrj h LYS 10 Cb 0.32 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2wrj h LYS 10 CO 0.06 0.00 -0.05 -0.92 -3.45 0.00 0.00 179.45 175.09 2wrj h TYR 11 N 0.01 -0.13 -0.20 1.91 3.20 0.55 -3.21 116.97 119.11 2wrj h TYR 11 Ca 0.40 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.29 2wrj h TYR 11 Cb 1.59 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.85 2wrj h TYR 11 CO -0.00 -0.08 -0.39 1.88 -1.64 0.00 0.00 178.16 177.93 2wrj h TYR 12 N -0.35 -1.19 -1.25 -3.82 -1.99 0.65 -0.79 116.97 108.24 2wrj h TYR 12 Ca -0.01 0.05 -0.75 0.00 2.00 0.00 0.00 58.73 60.02 2wrj h TYR 12 Cb 0.11 0.55 -0.13 0.00 2.00 0.00 0.00 36.73 39.25 2wrj h TYR 12 CO 0.05 -0.37 2.30 -0.85 -0.00 0.00 0.00 178.16 179.29 2wrj n GLU 13 N -4.61 4.49 0.00 4.88 0.28 0.38 -3.77 120.64 122.29 2wrj n GLU 13 Ca -0.03 -3.53 0.00 0.00 -0.16 0.00 0.00 57.16 53.44 2wrj n GLU 13 Cb 0.26 -2.66 0.00 0.00 1.43 0.00 0.00 31.44 30.46 2wrj n GLU 13 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2wrj n GLU 14 N 1.95 0.00 0.33 3.44 1.02 -1.11 -4.81 120.64 121.46 2wrj n GLU 14 Ca 0.58 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.55 2wrj n GLU 14 Cb 0.26 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.59 2wrj n GLU 14 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wrj h VAL 15 N 0.00 0.00 -0.74 2.62 2.07 -1.16 -2.41 116.25 116.62 2wrj h VAL 15 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2wrj h VAL 15 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 2wrj h VAL 15 CO 0.00 0.00 -0.46 0.03 0.02 0.00 0.00 177.57 177.16 2wrj h ARG 16 N -1.02 -0.03 0.00 1.57 2.47 -1.52 1.07 114.38 116.93 2wrj h ARG 16 Ca -0.08 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2wrj h ARG 16 Cb 0.85 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2wrj h ARG 16 CO 0.02 -0.02 -0.02 -1.00 0.56 0.00 0.00 179.97 179.51 2wrj h PRO 17 N -0.03 0.00 0.07 0.04 0.13 -1.73 -1.84 132.00 128.64 2wrj h PRO 17 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 2wrj h PRO 17 Cb 0.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.47 2wrj h PRO 17 CO -0.71 0.02 -0.49 1.49 -0.23 0.00 0.00 178.00 178.08 2wrj h GLU 18 N 0.00 0.15 0.00 0.86 4.57 0.54 -2.93 114.58 117.78 2wrj h GLU 18 Ca -0.00 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2wrj h GLU 18 Cb 0.07 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2wrj h GLU 18 CO 0.00 1.12 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.87 2wrj h LEU 19 N -0.68 0.00 0.60 1.64 3.38 0.12 -0.97 115.31 119.41 2wrj h LEU 19 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2wrj h LEU 19 Cb 1.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.10 2wrj h LEU 19 CO 0.06 0.01 -0.29 0.40 0.09 0.00 0.00 178.44 178.72 2wrj h ILE 20 N 0.00 0.00 -0.72 1.22 2.04 -1.40 -2.87 117.51 115.78 2wrj h ILE 20 Ca -0.00 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2wrj h ILE 20 Cb 0.02 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.98 2wrj h ILE 20 CO 0.00 0.00 -0.45 -0.09 0.00 0.00 0.00 178.15 177.61 2wrj h ARG 21 N -0.85 -0.14 0.00 2.37 2.43 -1.22 0.43 114.38 117.40 2wrj h ARG 21 Ca -0.08 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wrj h ARG 21 Cb 0.62 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2wrj h ARG 21 CO 0.14 -0.10 0.00 -2.13 -1.51 0.00 0.00 179.97 176.37 2wrj n ARG 22 N -5.40 0.00 0.03 0.20 0.00 -0.42 -3.29 116.66 107.78 2wrj n ARG 22 Ca 0.03 0.56 0.13 0.00 -0.00 0.00 0.00 57.85 58.57 2wrj n ARG 22 Cb 0.35 -1.18 0.37 0.00 0.00 0.00 0.00 32.46 32.00 2wrj n ARG 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2wrj n PHE 23 N -1.54 0.29 -2.13 -0.14 3.01 -1.09 -5.00 117.46 110.85 2wrj n PHE 23 Ca 0.00 0.08 -0.00 0.00 1.01 0.00 0.00 57.45 58.54 2wrj n PHE 23 Cb 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 38.93 2wrj n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wrj n GLY 24 N 1.43 -3.34 3.85 1.37 0.00 0.15 -5.06 105.19 103.59 2wrj n GLY 24 Ca 0.05 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 2wrj n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrj s TYR 25 N -0.94 3.06 0.03 1.61 2.02 -1.24 -5.06 117.35 116.83 2wrj s TYR 25 Ca 0.01 -0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 56.50 2wrj s TYR 25 Cb -0.00 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 2wrj s TYR 25 CO 0.40 0.38 -0.08 1.04 -1.57 0.00 0.00 175.55 175.73 2wrj n GLN 26 N -1.27 0.12 -2.37 -0.62 1.13 -1.26 -5.02 117.38 108.08 2wrj n GLN 26 Ca -0.06 0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.64 2wrj n GLN 26 Cb 0.58 -0.68 -0.03 0.00 0.11 0.00 0.00 30.24 30.23 2wrj n GLN 26 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2wrj s ASN 27 N -5.88 7.06 0.44 1.08 3.84 -1.26 -4.90 114.94 115.32 2wrj s ASN 27 Ca -0.06 2.18 0.17 0.00 0.21 0.00 0.00 52.86 55.35 2wrj s ASN 27 Cb 0.01 -2.60 1.09 0.00 -0.55 0.00 0.00 41.25 39.20 2wrj s ASN 27 CO 0.10 -0.42 1.92 0.58 -2.79 0.00 0.00 177.10 176.49 2wrj h VAL 28 N 4.01 0.78 0.05 -5.21 2.07 -1.98 -0.23 116.25 115.75 2wrj h VAL 28 Ca -0.43 -0.13 -0.25 0.00 0.82 0.00 0.00 66.70 66.71 2wrj h VAL 28 Cb 1.21 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2wrj h VAL 28 CO 0.77 0.07 -1.23 -0.50 0.02 0.00 0.00 177.57 176.70 2wrj h TRP 29 N 0.37 0.21 0.00 1.57 4.06 -2.03 -3.25 115.95 116.89 2wrj h TRP 29 Ca 0.36 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 61.16 2wrj h TRP 29 Cb 0.89 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 2wrj h TRP 29 CO -0.00 1.14 0.21 -1.91 -3.56 0.00 0.00 178.44 174.32 2wrj n GLU 30 N -3.38 0.00 -3.39 0.49 2.13 -0.10 -4.47 120.64 111.91 2wrj n GLU 30 Ca -0.07 0.20 -0.30 0.00 0.66 0.00 0.00 57.16 57.65 2wrj n GLU 30 Cb 0.99 -1.71 -0.04 0.00 0.27 0.00 0.00 31.44 30.95 2wrj n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wrj s VAL 31 N -2.31 5.00 0.20 6.31 0.11 -1.23 -4.96 120.40 123.52 2wrj s VAL 31 Ca 0.00 0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 59.01 2wrj s VAL 31 Cb 0.00 -3.67 -0.08 0.00 -1.53 0.00 0.00 36.38 31.09 2wrj s VAL 31 CO 0.00 -0.19 0.86 -2.16 -3.33 0.00 0.00 175.10 170.28 2wrj s PRO 32 N -3.17 4.71 -0.14 1.54 0.04 -1.26 -4.86 135.00 131.86 2wrj s PRO 32 Ca 0.45 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 2wrj s PRO 32 Cb -0.11 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.21 2wrj s PRO 32 CO 0.26 0.53 0.31 1.03 0.04 0.00 0.00 177.00 179.17 2wrj s ARG 33 N -1.11 0.25 0.37 4.56 3.00 -1.26 -4.92 118.95 119.84 2wrj s ARG 33 Ca 0.39 0.72 -0.28 0.00 0.00 0.00 0.00 55.73 56.55 2wrj s ARG 33 Cb -0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 34.95 34.58 2wrj s ARG 33 CO 0.29 -0.21 1.49 -0.48 0.00 0.00 0.00 175.30 176.39 2wrj s LEU 34 N 1.78 4.32 0.05 2.53 0.05 -1.26 -3.27 118.68 122.87 2wrj s LEU 34 Ca -0.06 3.04 0.18 0.00 0.05 0.00 0.00 54.13 57.34 2wrj s LEU 34 Cb -0.11 -3.67 -0.14 0.00 -2.05 0.00 0.00 46.19 40.23 2wrj s LEU 34 CO -0.10 -0.87 0.79 1.21 -0.55 0.00 0.00 176.35 176.83 2wrj n GLU 35 N 0.52 0.62 0.00 1.48 2.13 0.67 -4.93 120.64 121.13 2wrj n GLU 35 Ca 0.01 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2wrj n GLU 35 Cb 0.39 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.32 2wrj n GLU 35 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2wrj n LYS 36 N -2.84 -1.68 -3.72 5.31 0.00 -0.95 -4.76 118.16 109.52 2wrj n LYS 36 Ca -0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.09 2wrj n LYS 36 Cb 0.82 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.72 2wrj n LYS 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wrj s VAL 37 N -2.00 -0.07 -0.06 0.58 1.01 -1.03 -0.75 120.40 118.07 2wrj s VAL 37 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.18 2wrj s VAL 37 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2wrj s VAL 37 CO 0.00 0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.30 2wrj s VAL 38 N 1.36 1.51 -0.15 2.92 1.01 0.57 -1.47 120.40 126.16 2wrj s VAL 38 Ca -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2wrj s VAL 38 Cb -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2wrj s VAL 38 CO -0.08 0.44 -0.08 0.27 0.00 0.00 0.00 175.10 175.64 2wrj s ILE 39 N 0.27 3.45 0.30 2.22 -4.36 -0.90 -1.22 121.20 120.96 2wrj s ILE 39 Ca -0.10 -0.51 0.10 0.00 -0.26 0.00 0.00 60.65 59.88 2wrj s ILE 39 Cb -0.14 -2.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.03 2wrj s ILE 39 CO 0.04 0.50 -0.07 0.21 0.24 0.00 0.00 174.94 175.87 2wrj s ASN 40 N 0.42 4.06 0.00 4.36 3.04 -1.10 -1.88 114.94 123.83 2wrj s ASN 40 Ca -0.07 -0.93 0.00 0.00 0.04 0.00 0.00 52.86 51.91 2wrj s ASN 40 Cb -0.15 -0.53 0.00 0.00 -1.54 0.00 0.00 41.25 39.03 2wrj s ASN 40 CO 0.04 -0.08 0.00 0.00 -3.04 0.00 0.00 177.10 174.02 2wrj n GLN 41 N -0.82 0.00 0.00 0.43 6.02 0.74 -0.77 117.38 122.97 2wrj n GLN 41 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2wrj n GLN 41 Cb 0.61 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.87 2wrj n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wrj n GLY 42 N 2.55 1.96 5.03 1.08 0.00 -1.25 -4.81 105.19 109.74 2wrj n GLY 42 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2wrj n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 43 N 0.00 0.00 0.00 0.99 7.99 -1.26 -3.73 117.00 120.99 2wrj n LEU 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2wrj n LEU 43 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2wrj n LEU 43 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 2wrj n GLY 44 N 0.00 0.64 2.24 -0.72 0.00 -1.26 -4.82 105.19 101.27 2wrj n GLY 44 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2wrj n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrj n GLU 45 N -1.97 2.17 -0.05 1.61 -0.58 -1.26 -3.99 120.64 116.57 2wrj n GLU 45 Ca 0.00 -1.72 0.04 0.00 -0.42 0.00 0.00 57.16 55.06 2wrj n GLU 45 Cb 0.02 -2.02 0.06 0.00 -0.57 0.00 0.00 31.44 28.93 2wrj n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrj n ALA 46 N 1.46 2.08 -1.00 0.62 0.00 -1.26 -4.88 120.51 117.53 2wrj n ALA 46 Ca 0.44 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2wrj n ALA 46 Cb 0.69 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wrj n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wrj n LYS 47 N -0.89 0.00 -1.10 0.00 4.01 -1.26 -4.52 118.16 114.42 2wrj n LYS 47 Ca 0.07 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.57 2wrj n LYS 47 Cb 0.45 0.00 0.23 0.00 -0.51 0.00 0.00 35.03 35.20 2wrj n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2wrj s GLU 48 N 0.00 -0.97 0.00 1.97 2.02 -1.26 -4.23 118.70 116.22 2wrj s GLU 48 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2wrj s GLU 48 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.61 2wrj s GLU 48 CO 0.00 -3.56 0.00 -3.47 0.02 0.00 0.00 175.26 168.25 2wrj n ASP 49 N -4.67 -2.80 -1.38 -0.19 2.03 -1.26 -4.44 116.55 103.84 2wrj n ASP 49 Ca 0.12 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.42 2wrj n ASP 49 Cb 0.59 -1.24 -0.00 0.00 -0.72 0.00 0.00 41.12 39.75 2wrj n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wrj n ALA 50 N 1.00 -2.96 -3.33 -1.67 0.00 -1.26 -5.05 120.51 107.25 2wrj n ALA 50 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 2wrj n ALA 50 Cb 0.11 -0.41 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 2wrj n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wrj s ARG 51 N -1.47 3.32 0.00 0.00 1.81 -1.26 -5.01 118.95 116.35 2wrj s ARG 51 Ca -0.02 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 2wrj s ARG 51 Cb 0.00 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 2wrj s ARG 51 CO 0.05 0.05 0.00 -0.89 -0.68 0.00 0.00 175.30 173.83 2wrj n ILE 52 N 4.00 0.00 -3.95 1.52 2.08 -1.26 -4.99 119.36 116.77 2wrj n ILE 52 Ca -0.19 0.33 -0.29 0.00 0.56 0.00 0.00 62.75 63.17 2wrj n ILE 52 Cb 0.52 -1.32 -0.04 0.00 -0.75 0.00 0.00 39.64 38.05 2wrj n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wrj n LEU 53 N -2.26 -0.47 -0.01 1.39 7.99 -1.26 -4.71 117.00 117.67 2wrj n LEU 53 Ca 0.00 -1.00 0.05 0.00 -0.01 0.00 0.00 56.01 55.05 2wrj n LEU 53 Cb 0.00 -1.22 -0.08 0.00 -0.11 0.00 0.00 43.42 42.01 2wrj n LEU 53 CO 0.00 0.48 -0.64 -0.62 -1.51 0.00 0.00 177.39 175.10 2wrj n GLU 54 N -3.92 0.44 -0.02 3.23 1.02 -1.26 -3.83 120.64 116.30 2wrj n GLU 54 Ca -0.19 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 56.74 2wrj n GLU 54 Cb 0.49 -1.25 -0.10 0.00 -0.02 0.00 0.00 31.44 30.56 2wrj n GLU 54 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2wrj h LYS 55 N 0.00 -0.05 0.00 3.49 3.11 -1.99 -0.03 116.57 121.10 2wrj h LYS 55 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2wrj h LYS 55 Cb 0.55 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2wrj h LYS 55 CO 0.00 0.60 0.02 0.00 -2.81 0.00 0.00 179.45 177.26 2wrj n ALA 56 N -2.52 1.01 0.27 5.00 0.00 -1.26 0.18 120.51 123.19 2wrj n ALA 56 Ca -0.08 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2wrj n ALA 56 Cb 0.33 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.54 2wrj n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj h ALA 57 N 1.94 0.51 0.08 0.00 0.00 -1.49 -3.38 119.26 116.92 2wrj h ALA 57 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 2wrj h ALA 57 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wrj h ALA 57 CO 0.00 0.00 -1.74 0.00 0.00 0.00 0.00 179.25 177.51 2wrj n GLN 58 N -2.47 0.69 0.00 0.00 -0.00 0.48 -3.78 117.38 112.31 2wrj n GLN 58 Ca 0.01 0.37 0.02 0.00 -0.00 0.00 0.00 57.00 57.40 2wrj n GLN 58 Cb 0.51 -1.72 0.10 0.00 -0.00 0.00 0.00 30.24 29.12 2wrj n GLN 58 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2wrj n GLU 59 N -3.82 0.04 0.00 2.61 0.00 -0.92 0.11 120.64 118.66 2wrj n GLU 59 Ca -0.32 0.30 0.09 0.00 0.00 0.00 0.00 57.16 57.23 2wrj n GLU 59 Cb 0.92 -1.50 0.52 0.00 0.00 0.00 0.00 31.44 31.38 2wrj n GLU 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2wrj n LEU 60 N -1.35 0.00 -0.00 -1.84 -0.00 -1.25 -2.98 117.00 109.59 2wrj n LEU 60 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2wrj n LEU 60 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2wrj n LEU 60 CO 0.03 0.00 -0.50 0.00 -0.00 0.00 0.00 177.39 176.92 2wrj n ALA 61 N -0.85 2.00 0.11 1.96 0.00 0.31 -4.57 120.51 119.48 2wrj n ALA 61 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 2wrj n ALA 61 Cb 0.06 0.12 0.23 0.00 0.00 0.00 0.00 19.45 19.87 2wrj n ALA 61 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrj h LEU 62 N 0.00 0.19 -1.33 0.00 4.07 -1.57 1.64 115.31 118.31 2wrj h LEU 62 Ca -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2wrj h LEU 62 Cb 0.51 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2wrj h LEU 62 CO 0.00 0.61 0.00 2.30 -1.08 0.00 0.00 178.44 180.27 2wrj n ILE 63 N -4.00 0.55 -0.33 1.22 -6.64 -1.23 -3.94 119.36 104.99 2wrj n ILE 63 Ca -0.02 -0.32 0.00 0.00 -1.77 0.00 0.00 62.75 60.65 2wrj n ILE 63 Cb 0.49 -0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.43 2wrj n ILE 63 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 2wrj n THR 64 N 0.12 0.00 0.00 7.28 5.66 -0.71 -4.98 114.28 121.65 2wrj n THR 64 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2wrj n THR 64 Cb 0.38 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2wrj n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wrj n GLY 65 N 0.00 1.97 0.00 1.09 0.00 0.55 -4.92 105.19 103.89 2wrj n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 65 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wrj n GLN 66 N -1.99 1.55 -4.33 1.61 7.27 -1.22 -5.00 117.38 115.26 2wrj n GLN 66 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 2wrj n GLN 66 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 2wrj n GLN 66 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2wrj s LYS 67 N -1.10 0.98 0.43 3.69 2.36 -1.26 -4.49 119.74 120.33 2wrj s LYS 67 Ca 0.00 -0.88 -0.16 0.00 -2.55 0.00 0.00 55.97 52.38 2wrj s LYS 67 Cb 0.00 -1.03 -0.08 0.00 -1.05 0.00 0.00 37.83 35.67 2wrj s LYS 67 CO 0.00 0.25 0.87 -2.14 1.55 0.00 0.00 175.35 175.88 2wrj s PRO 68 N -1.39 3.98 -0.17 4.03 0.02 -1.26 -4.73 135.00 135.48 2wrj s PRO 68 Ca 0.02 0.81 0.00 0.00 0.02 0.00 0.00 61.00 61.85 2wrj s PRO 68 Cb -0.09 -2.27 0.04 0.00 0.02 0.00 0.00 34.50 32.20 2wrj s PRO 68 CO 0.02 -0.07 -0.08 0.00 -0.33 0.00 0.00 177.00 176.54 2wrj s ALA 69 N -2.32 1.72 0.36 -1.55 0.00 0.75 -4.94 121.76 115.79 2wrj s ALA 69 Ca 0.57 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 2wrj s ALA 69 Cb -0.10 -1.17 -0.12 0.00 0.00 0.00 0.00 23.12 21.74 2wrj s ALA 69 CO 0.24 -0.73 1.24 0.28 0.00 0.00 0.00 175.76 176.79 2wrj n VAL 70 N 4.79 2.18 -4.20 0.00 0.31 -1.26 -2.17 118.33 117.98 2wrj n VAL 70 Ca -0.14 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.46 2wrj n VAL 70 Cb 0.48 -1.49 -0.07 0.00 -0.91 0.00 0.00 33.84 31.84 2wrj n VAL 70 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2wrj s THR 71 N -1.13 3.03 0.07 2.52 -4.23 0.12 -4.88 115.64 111.13 2wrj s THR 71 Ca 0.58 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 2wrj s THR 71 Cb -0.56 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 2wrj s THR 71 CO 0.61 -0.23 -0.07 -0.13 -0.54 0.00 0.00 174.62 174.26 2wrj s ARG 72 N -3.78 0.69 0.84 3.99 0.52 -1.26 -2.21 118.95 117.74 2wrj s ARG 72 Ca 0.36 -1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 2wrj s ARG 72 Cb -0.03 -0.24 0.10 0.00 0.52 0.00 0.00 34.95 35.30 2wrj s ARG 72 CO 0.21 0.01 1.10 0.00 0.02 0.00 0.00 175.30 176.65 2wrj s ALA 73 N -2.62 1.98 0.05 2.13 0.00 -1.26 -4.95 121.76 117.09 2wrj s ALA 73 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2wrj s ALA 73 Cb -0.02 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2wrj s ALA 73 CO -0.03 -1.98 0.00 1.63 0.00 0.00 0.00 175.76 175.38 2wrj n LYS 74 N -3.60 0.00 0.00 0.00 5.02 -1.26 -3.98 118.16 114.33 2wrj n LYS 74 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2wrj n LYS 74 Cb 0.57 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2wrj n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wrj n LYS 75 N -3.16 0.00 -3.15 1.97 4.76 -1.26 -4.02 118.16 113.30 2wrj n LYS 75 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 2wrj n LYS 75 Cb 0.26 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.44 2wrj n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2wrj s SER 76 N -1.12 -0.44 -1.30 4.39 0.01 -1.26 -1.58 113.70 112.40 2wrj s SER 76 Ca 0.00 0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.34 2wrj s SER 76 Cb 0.00 1.32 0.15 0.00 0.21 0.00 0.00 66.02 67.70 2wrj s SER 76 CO 0.00 -0.08 2.04 -0.38 0.41 0.00 0.00 173.24 175.23 2wrj n ILE 77 N 5.31 4.59 -0.35 1.44 5.41 -1.25 -4.66 119.36 129.85 2wrj n ILE 77 Ca 0.01 -4.33 0.22 0.00 1.00 0.00 0.00 62.75 59.65 2wrj n ILE 77 Cb 0.56 -2.29 0.46 0.00 -0.71 0.00 0.00 39.64 37.66 2wrj n ILE 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2wrj h SER 78 N 5.41 0.54 -0.55 4.38 4.64 -1.85 0.73 113.55 126.85 2wrj h SER 78 Ca 0.49 0.15 0.07 0.00 -0.47 0.00 0.00 61.79 62.02 2wrj h SER 78 Cb 0.53 0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.64 2wrj h SER 78 CO 1.59 -0.01 0.25 0.78 -0.87 0.00 0.00 176.83 178.57 2wrj h ASN 79 N 0.42 0.31 -3.68 4.97 4.21 -1.97 -3.27 115.58 116.58 2wrj h ASN 79 Ca 0.68 0.05 -0.62 0.00 1.21 0.00 0.00 56.30 57.62 2wrj h ASN 79 Cb 1.54 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 38.34 2wrj h ASN 79 CO -0.49 0.21 -0.66 -0.36 -1.29 0.00 0.00 177.43 174.84 2wrj s PHE 80 N -6.11 2.91 0.00 1.19 0.08 0.25 -5.09 117.98 111.21 2wrj s PHE 80 Ca -0.13 -3.01 0.00 0.00 0.12 0.00 0.00 56.93 53.91 2wrj s PHE 80 Cb 0.15 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 2wrj s PHE 80 CO 0.74 -0.69 0.00 1.63 -0.10 0.00 0.00 175.22 176.79 2wrj n LYS 81 N 2.84 0.00 0.00 0.44 5.02 -0.93 -4.58 118.16 120.95 2wrj n LYS 81 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2wrj n LYS 81 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 2wrj n LYS 81 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wrj n LEU 82 N 0.00 0.00 0.00 -0.35 0.00 -1.26 -3.94 117.00 111.45 2wrj n LEU 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2wrj n LEU 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2wrj n LEU 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.39 177.93 2wrj n ARG 83 N 0.00 0.00 -1.85 1.96 3.00 -1.26 -3.74 116.66 114.77 2wrj n ARG 83 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.76 2wrj n ARG 83 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 2wrj n ARG 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wrj n LYS 84 N 0.00 -1.85 0.00 5.56 5.02 -0.61 -4.59 118.16 121.69 2wrj n LYS 84 Ca 0.00 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2wrj n LYS 84 Cb 0.00 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 2wrj n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrj n GLY 85 N -0.42 1.16 3.55 0.72 0.00 -1.25 -4.92 105.19 104.03 2wrj n GLY 85 Ca -0.09 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 2wrj n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wrj n MET 86 N 2.99 -3.26 0.00 1.61 0.00 -1.26 -4.78 117.12 112.42 2wrj n MET 86 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.70 58.36 2wrj n MET 86 Cb 0.00 -5.11 0.00 0.00 0.00 0.00 0.00 33.22 28.11 2wrj n MET 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2wrj n PRO 87 N -3.95 0.00 -4.23 2.12 -0.04 -1.26 -4.98 135.00 122.66 2wrj n PRO 87 Ca -0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.11 2wrj n PRO 87 Cb 0.64 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.97 2wrj n PRO 87 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wrj s ILE 88 N 2.08 0.75 0.00 0.52 1.09 -1.26 -4.81 121.20 119.58 2wrj s ILE 88 Ca 0.00 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.78 2wrj s ILE 88 Cb 0.00 -0.70 0.00 0.00 -1.06 0.00 0.00 42.46 40.70 2wrj s ILE 88 CO 0.00 -0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.40 2wrj n GLY 89 N 2.13 1.23 3.64 6.18 0.00 -0.94 -4.48 105.19 112.95 2wrj n GLY 89 Ca -0.18 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 2wrj n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wrj s LEU 90 N 0.00 -0.65 0.11 0.99 2.96 -1.26 -0.70 118.68 120.13 2wrj s LEU 90 Ca 0.00 1.18 -0.25 0.00 -0.22 0.00 0.00 54.13 54.84 2wrj s LEU 90 Cb 0.00 2.16 0.08 0.00 0.50 0.00 0.00 46.19 48.93 2wrj s LEU 90 CO 0.00 -0.20 0.70 -0.60 -1.32 0.00 0.00 176.35 174.93 2wrj s ARG 91 N 0.64 1.16 0.02 1.98 3.00 -0.92 -0.19 118.95 124.63 2wrj s ARG 91 Ca -0.01 -0.44 -0.00 0.00 -1.00 0.00 0.00 55.73 54.27 2wrj s ARG 91 Cb -0.05 0.52 -0.02 0.00 0.00 0.00 0.00 34.95 35.40 2wrj s ARG 91 CO -0.07 -0.51 -0.03 0.14 0.00 0.00 0.00 175.30 174.84 2wrj s VAL 92 N -3.55 0.11 -0.19 7.11 -7.23 -0.79 -0.18 120.40 115.69 2wrj s VAL 92 Ca 0.03 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 2wrj s VAL 92 Cb -0.01 -0.29 -0.00 0.00 0.56 0.00 0.00 36.38 36.63 2wrj s VAL 92 CO -0.11 -0.51 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.17 2wrj s THR 93 N -1.52 2.88 -0.17 5.32 2.01 -1.26 -2.13 115.64 120.78 2wrj s THR 93 Ca -0.15 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 2wrj s THR 93 Cb -0.10 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2wrj s THR 93 CO -0.01 0.48 0.04 -0.76 -0.69 0.00 0.00 174.62 173.68 2wrj s LEU 94 N 1.17 3.70 -0.09 4.42 1.43 -0.54 -5.03 118.68 123.75 2wrj s LEU 94 Ca 0.02 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2wrj s LEU 94 Cb -0.14 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2wrj s LEU 94 CO -0.04 0.19 -0.08 -0.13 0.23 0.00 0.00 176.35 176.52 2wrj s ARG 95 N 0.24 1.45 0.00 1.70 0.52 -1.26 -2.48 118.95 119.13 2wrj s ARG 95 Ca 0.02 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2wrj s ARG 95 Cb -0.13 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 33.91 2wrj s ARG 95 CO 0.01 -0.17 0.00 2.89 0.02 0.00 0.00 175.30 178.05 2wrj n ARG 96 N 4.57 0.00 0.00 3.54 1.85 -1.26 -4.11 116.66 121.24 2wrj n ARG 96 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2wrj n ARG 96 Cb 0.51 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 2wrj n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2wrj n ASP 97 N -0.60 0.00 -0.35 2.89 9.92 -1.26 -3.71 116.55 123.44 2wrj n ASP 97 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 2wrj n ASP 97 Cb 0.00 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 40.77 2wrj n ASP 97 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2wrj h ARG 98 N 0.00 0.84 0.00 -1.24 2.47 -1.92 2.16 114.38 116.69 2wrj h ARG 98 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2wrj h ARG 98 Cb 0.00 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 2wrj h ARG 98 CO 0.00 0.55 0.00 -0.12 0.56 0.00 0.00 179.97 180.96 2wrj n MET 99 N -4.68 0.00 0.01 0.04 1.56 -1.24 0.10 117.12 112.91 2wrj n MET 99 Ca 0.21 0.34 -0.13 0.00 -0.27 0.00 0.00 57.70 57.85 2wrj n MET 99 Cb 0.47 -1.29 -0.07 0.00 2.15 0.00 0.00 33.22 34.48 2wrj n MET 99 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 2wrj h TRP 100 N 0.00 -1.28 -0.95 1.12 4.06 -1.74 0.49 115.95 117.66 2wrj h TRP 100 Ca 0.00 0.05 0.23 0.00 2.06 0.00 0.00 58.89 61.23 2wrj h TRP 100 Cb 0.00 0.57 -0.18 0.00 -1.00 0.00 0.00 29.16 28.56 2wrj h TRP 100 CO 0.06 -0.50 -0.08 -0.89 -3.56 0.00 0.00 178.44 173.48 2wrj n ILE 101 N -5.44 -0.40 0.00 1.49 5.41 0.73 -0.07 119.36 121.07 2wrj n ILE 101 Ca -0.05 2.12 0.00 0.00 1.00 0.00 0.00 62.75 65.82 2wrj n ILE 101 Cb 0.37 -3.03 0.00 0.00 -0.71 0.00 0.00 39.64 36.27 2wrj n ILE 101 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 2wrj n PHE 102 N -5.46 0.00 -0.16 1.39 -0.00 0.16 -2.93 117.46 110.47 2wrj n PHE 102 Ca 0.20 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.76 2wrj n PHE 102 Cb 0.63 0.00 0.22 0.00 -0.00 0.00 0.00 39.48 40.33 2wrj n PHE 102 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2wrj n LEU 103 N -0.01 0.07 -0.34 -2.13 4.77 -0.67 0.16 117.00 118.85 2wrj n LEU 103 Ca 0.00 0.79 -0.09 0.00 -0.03 0.00 0.00 56.01 56.68 2wrj n LEU 103 Cb 0.00 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2wrj n LEU 103 CO 0.00 -0.85 0.42 1.21 -1.33 0.00 0.00 177.39 176.84 2wrj n GLU 104 N -4.26 -0.35 0.18 3.23 4.07 0.89 0.12 120.64 124.53 2wrj n GLU 104 Ca 0.15 1.28 -0.12 0.00 -0.06 0.00 0.00 57.16 58.41 2wrj n GLU 104 Cb 0.51 -1.88 -0.07 0.00 -0.06 0.00 0.00 31.44 29.94 2wrj n GLU 104 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2wrj h LYS 105 N 0.00 -0.50 -0.88 5.31 1.57 0.17 -2.42 116.57 119.82 2wrj h LYS 105 Ca 0.13 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.20 2wrj h LYS 105 Cb 0.33 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2wrj h LYS 105 CO -0.76 -0.19 1.11 1.25 -0.57 0.00 0.00 179.45 180.30 2wrj h LEU 106 N -0.96 0.00 0.00 2.94 5.85 -0.19 0.40 115.31 123.35 2wrj h LEU 106 Ca -0.05 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.40 2wrj h LEU 106 Cb 0.54 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2wrj h LEU 106 CO 0.09 0.00 -2.00 0.18 -0.34 0.00 0.00 178.44 176.37 2wrj n LEU 107 N -3.23 0.97 -1.60 2.25 4.77 0.33 -2.50 117.00 117.99 2wrj n LEU 107 Ca 0.20 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2wrj n LEU 107 Cb 1.38 0.03 0.18 0.00 -2.33 0.00 0.00 43.42 42.69 2wrj n LEU 107 CO 0.22 0.50 0.91 0.59 -1.33 0.00 0.00 177.39 178.28 2wrj n ASN 108 N -2.69 3.12 0.00 -1.43 4.13 0.12 -4.58 115.26 113.92 2wrj n ASN 108 Ca -0.26 -3.74 0.00 0.00 1.68 0.00 0.00 54.58 52.26 2wrj n ASN 108 Cb 0.92 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 2wrj n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2wrj n VAL 109 N -1.12 0.00 0.00 2.41 0.31 0.12 -4.91 118.33 115.14 2wrj n VAL 109 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 2wrj n VAL 109 Cb 1.24 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.17 2wrj n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrj n ALA 110 N -1.74 0.00 -0.21 3.52 0.00 -0.81 -2.01 120.51 119.27 2wrj n ALA 110 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wrj n ALA 110 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2wrj n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrj n LEU 111 N 0.00 -0.21 0.00 0.00 4.77 -1.04 -3.81 117.00 116.71 2wrj n LEU 111 Ca 0.00 0.98 0.01 0.00 -0.03 0.00 0.00 56.01 56.97 2wrj n LEU 111 Cb 0.00 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2wrj n LEU 111 CO 0.00 -0.94 0.17 -2.65 -1.33 0.00 0.00 177.39 172.64 2wrj n PRO 112 N -4.93 0.08 -4.60 3.23 -0.02 -0.85 -3.52 135.00 124.39 2wrj n PRO 112 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 2wrj n PRO 112 Cb 0.28 -1.24 -0.13 0.00 -0.02 0.00 0.00 33.50 32.40 2wrj n PRO 112 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wrj s ARG 113 N -2.00 1.96 -0.56 -0.52 0.52 -1.25 -4.92 118.95 112.18 2wrj s ARG 113 Ca 0.02 -1.05 0.07 0.00 -0.52 0.00 0.00 55.73 54.25 2wrj s ARG 113 Cb 0.01 -2.14 0.27 0.00 0.52 0.00 0.00 34.95 33.61 2wrj s ARG 113 CO 0.01 0.52 0.74 -0.89 0.02 0.00 0.00 175.30 175.70 2wrj n ILE 114 N 1.40 1.71 0.00 1.52 5.41 -1.23 -4.77 119.36 123.40 2wrj n ILE 114 Ca -0.16 -5.00 0.00 0.00 1.00 0.00 0.00 62.75 58.59 2wrj n ILE 114 Cb 0.52 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 2wrj n ILE 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wrj n ARG 115 N 0.73 0.00 0.00 0.38 1.74 -1.26 -3.69 116.66 114.55 2wrj n ARG 115 Ca 0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2wrj n ARG 115 Cb 0.45 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 2wrj n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wrj n ASP 116 N 0.00 0.00 -1.01 0.55 8.00 -1.26 -5.17 116.55 117.66 2wrj n ASP 116 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wrj n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2wrj n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2wrj n PHE 117 N 0.00 -0.10 -0.09 1.24 7.35 -1.24 -5.02 117.46 119.59 2wrj n PHE 117 Ca 0.00 0.06 -0.23 0.00 -0.76 0.00 0.00 57.45 56.52 2wrj n PHE 117 Cb 0.00 -2.04 -0.12 0.00 0.35 0.00 0.00 39.48 37.67 2wrj n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2wrj n ARG 118 N 0.04 0.62 -3.63 -4.13 3.00 -1.26 -5.04 116.66 106.26 2wrj n ARG 118 Ca 0.00 0.39 -0.06 0.00 -0.01 0.00 0.00 57.85 58.17 2wrj n ARG 118 Cb 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 32.46 30.75 2wrj n ARG 118 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2wrj s GLY 119 N -5.34 0.02 0.70 -0.13 0.00 -1.26 -4.53 107.32 96.78 2wrj s GLY 119 Ca -0.31 2.84 -0.16 0.00 0.00 0.00 0.00 44.72 47.09 2wrj s GLY 119 CO 0.60 1.59 0.94 1.04 0.00 0.00 0.00 173.10 177.28 2wrj n LEU 120 N 1.46 3.40 -4.61 0.66 4.77 0.13 -3.13 117.00 119.68 2wrj n LEU 120 Ca -0.09 0.68 -0.46 0.00 -0.03 0.00 0.00 56.01 56.11 2wrj n LEU 120 Cb 0.57 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 2wrj n LEU 120 CO 0.05 -2.07 0.76 -3.20 -1.33 0.00 0.00 177.39 171.61 2wrj n ASN 121 N -1.45 1.75 0.06 -1.43 2.85 -1.26 -2.19 115.26 113.58 2wrj n ASN 121 Ca 0.13 1.15 -0.10 0.00 -0.11 0.00 0.00 54.58 55.65 2wrj n ASN 121 Cb 0.49 -1.30 -0.13 0.00 1.24 0.00 0.00 39.78 40.08 2wrj n ASN 121 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wrj h PRO 122 N 3.20 0.09 -0.44 1.20 0.13 -1.87 -3.38 132.00 130.92 2wrj h PRO 122 Ca -0.43 -0.15 -0.31 0.00 -0.87 0.00 0.00 66.00 64.25 2wrj h PRO 122 Cb 1.32 0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.29 2wrj h PRO 122 CO 0.69 0.99 -0.46 0.27 -0.23 0.00 0.00 178.00 179.26 2wrj n ASN 123 N -3.36 3.57 -1.91 1.44 0.23 -1.26 -4.71 115.26 109.26 2wrj n ASN 123 Ca -0.06 -3.82 -0.19 0.00 -0.53 0.00 0.00 54.58 49.99 2wrj n ASN 123 Cb 0.98 -0.50 0.09 0.00 -2.08 0.00 0.00 39.78 38.27 2wrj n ASN 123 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2wrj n SER 124 N -0.94 5.06 -4.77 0.53 3.41 -1.26 -4.90 113.62 110.75 2wrj n SER 124 Ca 0.35 -3.16 -0.37 0.00 -0.26 0.00 0.00 58.87 55.43 2wrj n SER 124 Cb 0.87 -0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2wrj n SER 124 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wrj s PHE 125 N -2.29 3.51 0.00 7.33 0.40 -1.26 -3.77 117.98 121.91 2wrj s PHE 125 Ca 0.39 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 2wrj s PHE 125 Cb 0.32 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.59 2wrj s PHE 125 CO 0.04 0.38 0.35 -0.25 0.70 0.00 0.00 175.22 176.43 2wrj n ASP 126 N 3.08 0.00 0.00 1.36 10.43 -0.80 -4.73 116.55 125.89 2wrj n ASP 126 Ca -0.14 0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.57 2wrj n ASP 126 Cb 0.52 -0.14 0.00 0.00 1.84 0.00 0.00 41.12 43.35 2wrj n ASP 126 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wrj n GLY 127 N -0.90 -0.29 2.49 0.44 0.00 -1.26 -5.02 105.19 100.64 2wrj n GLY 127 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2wrj n GLY 127 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrj n ARG 128 N 0.00 0.83 -3.29 1.61 1.85 -1.26 -4.42 116.66 111.97 2wrj n ARG 128 Ca 0.00 -2.48 -0.26 0.00 -1.00 0.00 0.00 57.85 54.11 2wrj n ARG 128 Cb 0.00 -1.35 0.03 0.00 -1.05 0.00 0.00 32.46 30.09 2wrj n ARG 128 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrj n GLY 129 N 1.12 -0.49 3.65 2.89 0.00 -1.26 -4.41 105.19 106.69 2wrj n GLY 129 Ca 0.15 1.13 -0.03 0.00 0.00 0.00 0.00 46.02 47.27 2wrj n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wrj s ASN 130 N -2.02 -0.20 0.22 1.61 0.01 -1.26 -4.08 114.94 109.21 2wrj s ASN 130 Ca 0.30 0.36 0.09 0.00 -0.71 0.00 0.00 52.86 52.89 2wrj s ASN 130 Cb -0.05 0.64 -0.04 0.00 0.41 0.00 0.00 41.25 42.22 2wrj s ASN 130 CO 0.84 -0.06 -0.03 -0.47 -1.51 0.00 0.00 177.10 175.87 2wrj s TYR 131 N 0.51 2.72 -0.26 2.20 5.04 -0.81 -1.91 117.35 124.84 2wrj s TYR 131 Ca 0.00 -0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2wrj s TYR 131 Cb -0.04 -1.27 0.15 0.00 0.35 0.00 0.00 41.96 41.15 2wrj s TYR 131 CO -0.12 0.56 0.41 -0.80 -1.34 0.00 0.00 175.55 174.26 2wrj s ASN 132 N -3.25 0.16 0.33 4.32 0.01 -1.25 -1.44 114.94 113.83 2wrj s ASN 132 Ca 0.29 0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.57 2wrj s ASN 132 Cb -0.08 1.20 -0.07 0.00 0.41 0.00 0.00 41.25 42.71 2wrj s ASN 132 CO 0.18 -0.31 0.00 -1.48 -1.51 0.00 0.00 177.10 173.98 2wrj s LEU 133 N 2.57 2.48 0.00 0.60 0.05 -1.23 -4.97 118.68 118.18 2wrj s LEU 133 Ca 0.12 -1.31 0.00 0.00 0.05 0.00 0.00 54.13 53.00 2wrj s LEU 133 Cb -0.14 -0.63 0.00 0.00 -2.05 0.00 0.00 46.19 43.37 2wrj s LEU 133 CO -0.21 -0.46 0.00 0.61 -0.55 0.00 0.00 176.35 175.74 2wrj n GLY 134 N -0.73 5.58 3.65 -3.48 0.00 -1.26 -0.65 105.19 108.29 2wrj n GLY 134 Ca -0.04 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 2wrj n GLY 134 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wrj s LEU 135 N 0.00 -0.17 0.36 0.99 0.05 -1.19 -4.86 118.68 113.85 2wrj s LEU 135 Ca 0.00 0.29 0.27 0.00 0.05 0.00 0.00 54.13 54.74 2wrj s LEU 135 Cb 0.00 1.28 1.01 0.00 -2.05 0.00 0.00 46.19 46.43 2wrj s LEU 135 CO 0.00 -0.05 1.80 0.03 -0.55 0.00 0.00 176.35 177.58 2wrj h ARG 136 N 4.64 0.00 -4.09 1.48 3.08 -1.91 -3.18 114.38 114.39 2wrj h ARG 136 Ca -0.27 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.48 2wrj h ARG 136 Cb 1.18 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.94 2wrj h ARG 136 CO 0.20 0.00 -0.74 -1.21 -1.07 0.00 0.00 179.97 177.15 2wrj s GLU 137 N -3.38 0.29 0.00 0.04 2.02 -1.26 -4.00 118.70 112.40 2wrj s GLU 137 Ca 0.05 -0.11 0.11 0.00 0.02 0.00 0.00 54.97 55.03 2wrj s GLU 137 Cb 0.09 -0.29 0.59 0.00 0.10 0.00 0.00 34.13 34.62 2wrj s GLU 137 CO 0.50 0.06 1.39 0.00 0.02 0.00 0.00 175.26 177.23 2wrj n GLN 138 N 3.06 1.14 -0.34 1.61 10.64 -0.89 -4.06 117.38 128.54 2wrj n GLN 138 Ca -0.13 -0.22 0.07 0.00 -1.83 0.00 0.00 57.00 54.89 2wrj n GLN 138 Cb 0.58 -1.19 0.23 0.00 -0.86 0.00 0.00 30.24 29.00 2wrj n GLN 138 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 2wrj n LEU 139 N -0.46 3.59 -0.10 2.61 -0.00 -1.26 -4.43 117.00 116.96 2wrj n LEU 139 Ca 0.09 -2.36 0.09 0.00 -0.00 0.00 0.00 56.01 53.83 2wrj n LEU 139 Cb 0.09 -0.40 0.48 0.00 -0.00 0.00 0.00 43.42 43.59 2wrj n LEU 139 CO 0.07 0.75 0.81 2.30 -0.00 0.00 0.00 177.39 181.32 2wrj n ILE 140 N 0.42 0.04 -3.79 1.47 -6.64 -1.26 -4.79 119.36 104.81 2wrj n ILE 140 Ca 0.18 -0.06 -0.35 0.00 -1.77 0.00 0.00 62.75 60.75 2wrj n ILE 140 Cb 0.65 -0.16 -0.05 0.00 -1.44 0.00 0.00 39.64 38.64 2wrj n ILE 140 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 2wrj s PHE 141 N -1.96 3.59 -1.26 4.28 0.08 -1.26 -3.62 117.98 117.83 2wrj s PHE 141 Ca 0.27 0.56 0.15 0.00 0.12 0.00 0.00 56.93 58.03 2wrj s PHE 141 Cb 0.13 -1.97 0.72 0.00 -0.57 0.00 0.00 43.02 41.32 2wrj s PHE 141 CO 0.21 0.64 1.45 -0.35 -0.10 0.00 0.00 175.22 177.07 2wrj n PRO 142 N 1.29 0.13 -0.08 0.24 -0.04 -1.26 -3.01 135.00 132.27 2wrj n PRO 142 Ca -0.13 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 2wrj n PRO 142 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2wrj n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrj n GLU 143 N -1.37 0.61 -1.99 0.54 -0.58 -1.26 -4.90 120.64 111.69 2wrj n GLU 143 Ca 0.06 0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 56.86 2wrj n GLU 143 Cb 0.14 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.28 2wrj n GLU 143 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2wrj s ILE 144 N -2.42 2.57 0.43 -3.67 2.07 -1.16 -5.03 121.20 114.00 2wrj s ILE 144 Ca -0.28 0.50 0.08 0.00 -1.41 0.00 0.00 60.65 59.53 2wrj s ILE 144 Cb 0.07 -3.32 0.02 0.00 0.13 0.00 0.00 42.46 39.36 2wrj s ILE 144 CO 0.62 0.09 0.58 0.28 -1.91 0.00 0.00 174.94 174.60 2wrj s THR 145 N -0.18 2.91 -0.03 4.00 -1.32 -1.26 -4.81 115.64 114.96 2wrj s THR 145 Ca 0.58 -1.01 -0.25 0.00 -1.21 0.00 0.00 61.69 59.80 2wrj s THR 145 Cb -0.42 -2.93 -0.19 0.00 -1.51 0.00 0.00 72.50 67.45 2wrj s THR 145 CO 0.46 0.00 1.14 0.22 -2.21 0.00 0.00 174.62 174.23 2wrj h TYR 146 N 0.61 -0.12 -0.00 9.09 3.20 -1.95 -3.31 116.97 124.49 2wrj h TYR 146 Ca -0.39 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.48 2wrj h TYR 146 Cb 1.28 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2wrj h TYR 146 CO 0.41 0.34 -0.05 -0.40 -1.64 0.00 0.00 178.16 176.82 2wrj n ASP 147 N -4.92 0.07 0.03 -2.11 5.68 -1.26 -3.59 116.55 110.45 2wrj n ASP 147 Ca -0.08 0.19 -0.08 0.00 -0.50 0.00 0.00 54.79 54.32 2wrj n ASP 147 Cb 0.26 -0.35 -0.13 0.00 -1.14 0.00 0.00 41.12 39.76 2wrj n ASP 147 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2wrj h MET 148 N 0.04 0.00 -6.35 0.11 2.86 -1.99 -3.44 114.93 106.16 2wrj h MET 148 Ca 0.00 -0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 2wrj h MET 148 Cb 0.43 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2wrj h MET 148 CO 0.00 0.80 1.19 0.54 1.06 0.00 0.00 176.91 180.50 2wrj s VAL 149 N -2.66 3.65 0.08 -2.22 0.11 -1.24 -4.90 120.40 113.22 2wrj s VAL 149 Ca -0.01 0.64 -0.34 0.00 -2.93 0.00 0.00 61.98 59.34 2wrj s VAL 149 Cb 0.09 -3.96 -0.17 0.00 -1.53 0.00 0.00 36.38 30.82 2wrj s VAL 149 CO 0.82 -0.66 1.60 -2.24 -3.33 0.00 0.00 175.10 171.30 2wrj h ASP 150 N 12.10 -1.00 -3.85 3.54 2.03 -1.90 -3.45 116.42 123.89 2wrj h ASP 150 Ca -0.30 0.06 -0.16 0.00 -0.73 0.00 0.00 57.03 55.90 2wrj h ASP 150 Cb 1.14 0.30 -0.25 0.00 -0.83 0.00 0.00 39.33 39.68 2wrj h ASP 150 CO 1.08 -0.60 -0.43 0.00 -1.03 0.00 0.00 179.24 178.27 2wrj s ALA 151 N -6.00 -0.61 0.05 4.15 0.00 -1.26 -5.12 121.76 112.97 2wrj s ALA 151 Ca -0.18 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2wrj s ALA 151 Cb 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.68 2wrj s ALA 151 CO 0.62 -0.12 1.96 -0.48 0.00 0.00 0.00 175.76 177.74 2wrj s LEU 152 N 0.10 4.43 -0.01 0.00 2.34 -1.26 -4.94 118.68 119.33 2wrj s LEU 152 Ca -0.00 2.69 0.05 0.00 0.06 0.00 0.00 54.13 56.93 2wrj s LEU 152 Cb -0.02 -3.53 -0.01 0.00 -0.56 0.00 0.00 46.19 42.07 2wrj s LEU 152 CO 0.00 -1.05 -0.17 0.00 -1.06 0.00 0.00 176.35 174.08 2wrj s ARG 153 N 4.31 1.36 0.14 1.48 1.70 -1.26 -4.90 118.95 121.79 2wrj s ARG 153 Ca 0.88 -0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 55.53 2wrj s ARG 153 Cb -0.43 -1.31 0.03 0.00 -0.57 0.00 0.00 34.95 32.67 2wrj s ARG 153 CO 0.41 0.35 0.19 0.41 -1.08 0.00 0.00 175.30 175.58 2wrj n GLY 154 N 2.71 -0.76 3.61 3.88 0.00 -1.26 -2.09 105.19 111.28 2wrj n GLY 154 Ca -0.15 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 2wrj n GLY 154 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wrj s MET 155 N -3.30 0.27 -0.50 1.61 0.00 -1.20 -4.79 119.30 111.38 2wrj s MET 155 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 55.69 55.74 2wrj s MET 155 Cb -0.00 0.12 0.13 0.00 0.00 0.00 0.00 34.83 35.08 2wrj s MET 155 CO 0.08 -0.09 0.36 -0.51 0.00 0.00 0.00 175.02 174.85 2wrj s ASP 156 N -1.35 5.63 1.01 -1.18 1.01 0.05 -3.19 116.67 118.64 2wrj s ASP 156 Ca 0.06 -2.11 -0.11 0.00 0.71 0.00 0.00 52.55 51.10 2wrj s ASP 156 Cb -0.01 -1.97 0.20 0.00 1.01 0.00 0.00 42.92 42.15 2wrj s ASP 156 CO -0.05 -0.62 1.09 -0.63 0.21 0.00 0.00 175.17 175.18 2wrj s ILE 157 N 1.05 2.16 -0.26 0.77 1.01 0.18 -2.72 121.20 123.39 2wrj s ILE 157 Ca 0.08 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 2wrj s ILE 157 Cb -0.24 -2.15 0.12 0.00 0.01 0.00 0.00 42.46 40.21 2wrj s ILE 157 CO -0.02 -0.07 0.54 0.00 0.00 0.00 0.00 174.94 175.39 2wrj s ALA 158 N -2.61 -1.68 -0.21 9.38 0.00 -0.35 -3.55 121.76 122.74 2wrj s ALA 158 Ca 0.67 1.90 0.02 0.00 0.00 0.00 0.00 51.96 54.54 2wrj s ALA 158 Cb -0.23 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.28 2wrj s ALA 158 CO 0.60 -0.93 -0.17 0.54 0.00 0.00 0.00 175.76 175.81 2wrj s VAL 159 N 2.77 2.09 -0.18 0.00 0.11 -0.52 -0.31 120.40 124.35 2wrj s VAL 159 Ca -0.01 -1.16 -0.09 0.00 -2.93 0.00 0.00 61.98 57.80 2wrj s VAL 159 Cb -0.13 -1.99 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 2wrj s VAL 159 CO -0.17 0.36 0.10 -0.69 -3.33 0.00 0.00 175.10 171.37 2wrj s VAL 160 N 1.23 5.13 0.00 2.04 1.01 0.07 -1.93 120.40 127.95 2wrj s VAL 160 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2wrj s VAL 160 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2wrj s VAL 160 CO -0.10 0.47 0.00 0.35 0.00 0.00 0.00 175.10 175.81 2wrj n THR 161 N 3.38 0.00 -0.08 3.92 -2.24 -1.26 -0.24 114.28 117.76 2wrj n THR 161 Ca -0.17 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2wrj n THR 161 Cb 0.52 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 2wrj n THR 161 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wrj n THR 162 N 0.00 1.09 -0.83 4.28 -1.04 -1.20 -4.30 114.28 112.27 2wrj n THR 162 Ca 0.00 -0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.59 2wrj n THR 162 Cb 0.00 -1.82 -0.00 0.00 -1.82 0.00 0.00 70.33 66.69 2wrj n THR 162 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wrj n ALA 163 N -3.88 -2.37 -1.33 2.41 0.00 -1.26 -4.88 120.51 109.19 2wrj n ALA 163 Ca -0.30 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.30 2wrj n ALA 163 Cb 0.67 -0.95 0.19 0.00 0.00 0.00 0.00 19.45 19.36 2wrj n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wrj n GLU 164 N 0.82 1.63 -3.15 0.00 1.02 -1.26 -4.08 120.64 115.62 2wrj n GLU 164 Ca 0.08 -2.98 0.04 0.00 -0.02 0.00 0.00 57.16 54.27 2wrj n GLU 164 Cb 0.24 -1.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2wrj n GLU 164 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wrj s THR 165 N -3.07 -0.94 0.11 2.62 -4.23 -1.26 -4.37 115.64 104.49 2wrj s THR 165 Ca 0.37 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 2wrj s THR 165 Cb 0.34 -0.97 0.10 0.00 1.34 0.00 0.00 72.50 73.31 2wrj s THR 165 CO -0.01 0.00 0.46 -0.90 -0.54 0.00 0.00 174.62 173.63 2wrj n ASP 166 N 5.41 0.09 -0.20 3.99 5.75 -1.26 0.15 116.55 130.49 2wrj n ASP 166 Ca 0.02 0.49 -0.05 0.00 -0.01 0.00 0.00 54.79 55.24 2wrj n ASP 166 Cb 0.53 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2wrj n ASP 166 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2wrj h GLU 167 N 0.00 -0.16 0.59 0.11 4.81 -1.95 3.14 114.58 121.12 2wrj h GLU 167 Ca 0.25 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2wrj h GLU 167 Cb 0.64 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.07 2wrj h GLU 167 CO -0.23 -0.11 -0.28 0.93 -0.73 0.00 0.00 179.01 178.59 2wrj h GLU 168 N -0.17 -0.76 -0.54 1.92 5.08 0.10 -2.25 114.58 117.97 2wrj h GLU 168 Ca 0.23 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 2wrj h GLU 168 Cb 0.55 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 2wrj h GLU 168 CO -0.67 -0.45 -0.52 0.00 -1.00 0.00 0.00 179.01 176.37 2wrj h ALA 169 N -0.72 -0.59 -0.90 3.43 0.00 -1.13 0.10 119.26 119.45 2wrj h ALA 169 Ca -0.08 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2wrj h ALA 169 Cb 0.66 1.09 -0.13 0.00 0.00 0.00 0.00 17.79 19.42 2wrj h ALA 169 CO 0.13 -0.96 -0.50 -0.09 0.00 0.00 0.00 179.25 177.83 2wrj h ARG 170 N -0.29 -0.06 -0.31 0.00 9.65 0.57 0.34 114.38 124.28 2wrj h ARG 170 Ca 0.12 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2wrj h ARG 170 Cb 0.56 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.09 2wrj h ARG 170 CO -0.67 -0.04 -0.14 0.00 2.80 0.00 0.00 179.97 181.93 2wrj h ALA 171 N 0.75 0.11 0.46 2.80 0.00 -0.42 -1.30 119.26 121.66 2wrj h ALA 171 Ca 0.21 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2wrj h ALA 171 Cb 0.50 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2wrj h ALA 171 CO -0.90 -0.53 -0.49 1.25 0.00 0.00 0.00 179.25 178.59 2wrj h LEU 172 N -0.09 -1.35 -0.05 0.00 6.46 0.19 -1.79 115.31 118.68 2wrj h LEU 172 Ca 0.16 0.11 0.04 0.00 -0.12 0.00 0.00 57.88 58.07 2wrj h LEU 172 Cb 0.33 0.45 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 2wrj h LEU 172 CO -0.37 -0.64 -0.31 -0.07 -0.62 0.00 0.00 178.44 176.43 2wrj h LEU 173 N -0.96 -0.95 -0.65 2.25 3.38 -0.79 -2.11 115.31 115.49 2wrj h LEU 173 Ca -0.05 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2wrj h LEU 173 Cb 0.84 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 2wrj h LEU 173 CO -0.08 -0.37 -0.09 -0.33 0.09 0.00 0.00 178.44 177.67 2wrj h GLU 174 N -0.43 0.04 0.00 1.13 5.08 -1.16 0.35 114.58 119.60 2wrj h GLU 174 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wrj h GLU 174 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2wrj h GLU 174 CO -0.30 0.03 0.00 1.28 -1.00 0.00 0.00 179.01 179.02 2wrj n LEU 175 N -5.38 0.00 -0.00 1.33 4.77 -0.68 0.23 117.00 117.27 2wrj n LEU 175 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.12 2wrj n LEU 175 Cb 0.36 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2wrj n LEU 175 CO 0.06 0.00 -0.25 0.18 -1.33 0.00 0.00 177.39 176.05 2wrj n LEU 176 N -0.64 0.28 0.00 2.23 4.77 0.11 -4.68 117.00 119.07 2wrj n LEU 176 Ca 0.04 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2wrj n LEU 176 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2wrj n LEU 176 CO 0.03 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2wrj n GLY 177 N 1.50 0.73 3.04 -0.72 0.00 0.14 -5.05 105.19 104.82 2wrj n GLY 177 Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 2wrj n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wrj s PHE 178 N -1.19 2.85 0.05 1.61 0.40 -0.90 -4.91 117.98 115.88 2wrj s PHE 178 Ca 0.00 -1.95 -0.30 0.00 -0.60 0.00 0.00 56.93 54.08 2wrj s PHE 178 Cb 0.00 -1.80 -0.08 0.00 0.51 0.00 0.00 43.02 41.64 2wrj s PHE 178 CO 0.00 -0.82 1.76 -2.14 0.70 0.00 0.00 175.22 174.73 2wrj s PRO 179 N 1.25 4.17 -0.58 0.24 0.02 -1.26 -4.56 135.00 134.28 2wrj s PRO 179 Ca -0.04 2.42 0.04 0.00 0.02 0.00 0.00 61.00 63.44 2wrj s PRO 179 Cb -0.18 -3.81 0.15 0.00 0.02 0.00 0.00 34.50 30.69 2wrj s PRO 179 CO -0.07 -0.83 0.37 -0.06 -0.33 0.00 0.00 177.00 176.07 2wrj s PHE 180 N 3.37 2.91 0.00 6.54 2.99 -1.26 0.19 117.98 132.72 2wrj s PHE 180 Ca 0.79 -3.02 0.00 0.00 0.00 0.00 0.00 56.93 54.69 2wrj s PHE 180 Cb -0.40 -2.40 0.00 0.00 0.00 0.00 0.00 43.02 40.22 2wrj s PHE 180 CO 0.35 -0.67 0.00 -2.13 -0.00 0.00 0.00 175.22 172.77 2wrj n ARG 181 N 2.66 0.00 0.00 0.44 0.63 -0.93 -4.80 116.66 114.65 2wrj n ARG 181 Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2wrj n ARG 181 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 2wrj n ARG 181 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75