#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LYS 2 N 0.00 0.00 -2.67 0.03 2.85 -1.26 -4.92 118.16 112.18 2wrj n LYS 2 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 2wrj n LYS 2 Cb 0.00 -0.33 0.08 0.00 -0.65 0.00 0.00 35.03 34.13 2wrj n LYS 2 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2wrj n GLU 3 N 0.91 0.35 -3.94 -1.58 0.28 -1.26 -4.17 120.64 111.23 2wrj n GLU 3 Ca 0.07 -0.95 -0.30 0.00 -0.16 0.00 0.00 57.16 55.82 2wrj n GLU 3 Cb -0.01 -0.23 -0.16 0.00 1.43 0.00 0.00 31.44 32.47 2wrj n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wrj s VAL 4 N 0.08 1.51 0.39 3.84 1.01 -1.26 -4.08 120.40 121.88 2wrj s VAL 4 Ca 0.16 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 2wrj s VAL 4 Cb 0.24 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.94 2wrj s VAL 4 CO -0.13 -0.11 0.22 0.00 0.00 0.00 0.00 175.10 175.09 2wrj n ALA 5 N 4.68 -1.35 -3.18 5.51 0.00 0.17 -4.99 120.51 121.35 2wrj n ALA 5 Ca -0.12 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.72 2wrj n ALA 5 Cb 0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2wrj n ALA 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrj n VAL 6 N -3.67 0.01 -1.40 0.00 0.31 -1.26 -4.63 118.33 107.69 2wrj n VAL 6 Ca 0.04 -4.50 -0.40 0.00 -0.01 0.00 0.00 64.34 59.46 2wrj n VAL 6 Cb 0.15 -1.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.10 2wrj n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrj n TYR 7 N 0.65 -1.22 -5.04 3.52 9.36 -0.94 -3.93 117.16 119.55 2wrj n TYR 7 Ca 0.24 0.54 -0.32 0.00 3.32 0.00 0.00 57.90 61.68 2wrj n TYR 7 Cb 0.58 -1.89 -0.15 0.00 -0.63 0.00 0.00 39.34 37.25 2wrj n TYR 7 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2wrj s GLN 8 N -1.51 2.87 -0.92 2.98 2.00 -0.64 -3.02 119.66 121.42 2wrj s GLN 8 Ca 0.63 -0.79 -0.22 0.00 -2.00 0.00 0.00 55.36 52.97 2wrj s GLN 8 Cb -0.55 -2.37 -0.23 0.00 0.80 0.00 0.00 33.01 30.66 2wrj s GLN 8 CO 0.59 0.35 2.32 -0.89 -0.50 0.00 0.00 175.29 177.17 2wrj n ILE 9 N 3.07 0.00 0.00 -2.34 5.41 -1.25 -4.28 119.36 119.97 2wrj n ILE 9 Ca -0.18 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.43 2wrj n ILE 9 Cb 0.52 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 2wrj n ILE 9 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2wrj n PRO 10 N 6.96 0.00 0.00 0.38 -0.04 -1.20 -4.40 135.00 136.70 2wrj n PRO 10 Ca 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2wrj n PRO 10 Cb 0.06 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 2wrj n PRO 10 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wrj n VAL 11 N 0.00 0.00 0.05 0.52 0.31 -1.26 -4.58 118.33 113.36 2wrj n VAL 11 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2wrj n VAL 11 Cb 0.00 -0.02 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 2wrj n VAL 11 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrj h LEU 12 N 0.00 0.00 -9.17 7.52 3.38 -2.02 -3.46 115.31 111.56 2wrj h LEU 12 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 2wrj h LEU 12 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wrj h LEU 12 CO 0.00 0.76 0.91 -1.54 0.09 0.00 0.00 178.44 178.67 2wrj n SER 13 N -3.10 2.50 -3.23 -0.43 3.41 -1.26 -4.94 113.62 106.57 2wrj n SER 13 Ca -0.07 1.06 -0.16 0.00 -0.26 0.00 0.00 58.87 59.44 2wrj n SER 13 Cb 0.89 -1.17 0.16 0.00 -0.26 0.00 0.00 64.21 63.83 2wrj n SER 13 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wrj n PRO 14 N 5.45 -2.67 -2.05 4.33 -0.02 -1.26 -3.25 135.00 135.52 2wrj n PRO 14 Ca 0.26 -0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 60.53 2wrj n PRO 14 Cb 0.15 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 2wrj n PRO 14 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wrj s SER 15 N -2.36 6.33 0.00 2.55 0.01 -1.26 -3.93 113.70 115.04 2wrj s SER 15 Ca 0.36 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.33 2wrj s SER 15 Cb -0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2wrj s SER 15 CO 0.30 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2wrj n GLY 16 N 4.71 1.62 3.15 3.44 0.00 -1.17 -4.93 105.19 112.01 2wrj n GLY 16 Ca 0.19 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.34 2wrj n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 17 N 2.92 0.51 0.77 1.61 0.52 -1.26 -2.21 118.95 121.81 2wrj s ARG 17 Ca 0.00 0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 55.71 2wrj s ARG 17 Cb 0.00 0.25 0.15 0.00 0.52 0.00 0.00 34.95 35.87 2wrj s ARG 17 CO 0.00 -0.93 1.06 0.50 0.02 0.00 0.00 175.30 175.96 2wrj s ARG 18 N 2.85 1.42 -0.22 3.54 3.52 -1.26 -4.83 118.95 123.97 2wrj s ARG 18 Ca 0.13 -1.05 -0.35 0.00 -0.13 0.00 0.00 55.73 54.32 2wrj s ARG 18 Cb -0.09 -2.24 0.15 0.00 -1.56 0.00 0.00 34.95 31.20 2wrj s ARG 18 CO -0.25 -1.67 1.25 -1.83 -0.81 0.00 0.00 175.30 171.99 2wrj s GLU 19 N -5.29 0.24 -0.26 5.12 -1.05 -1.26 -0.65 118.70 115.54 2wrj s GLU 19 Ca 0.68 -0.07 -0.26 0.00 -0.15 0.00 0.00 54.97 55.17 2wrj s GLU 19 Cb -0.04 0.11 0.11 0.00 -0.44 0.00 0.00 34.13 33.87 2wrj s GLU 19 CO 0.46 -0.10 0.95 -1.17 0.95 0.00 0.00 175.26 176.35 2wrj s LEU 20 N -2.03 -0.51 0.00 1.83 0.20 -1.26 -5.00 118.68 111.91 2wrj s LEU 20 Ca 0.10 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.85 2wrj s LEU 20 Cb -0.01 2.02 0.00 0.00 -0.43 0.00 0.00 46.19 47.77 2wrj s LEU 20 CO -0.04 -0.21 0.00 0.00 -0.29 0.00 0.00 176.35 175.81 2wrj n ALA 21 N 2.11 0.00 1.79 5.97 0.00 -1.26 -2.90 120.51 126.21 2wrj n ALA 21 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2wrj n ALA 21 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2wrj n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 22 N 0.00 2.47 0.26 0.00 0.00 -1.26 -3.52 120.51 118.46 2wrj n ALA 22 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2wrj n ALA 22 Cb 0.00 -1.00 0.95 0.00 0.00 0.00 0.00 19.45 19.40 2wrj n ALA 22 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wrj h ASP 23 N 0.00 0.00 -6.13 0.00 3.32 -1.91 -3.37 116.42 108.33 2wrj h ASP 23 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2wrj h ASP 23 Cb 0.08 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.68 2wrj h ASP 23 CO 0.00 0.00 0.02 0.18 -1.72 0.00 0.00 179.24 177.72 2wrj n LEU 24 N -2.72 0.00 -3.41 1.55 7.99 -1.23 -2.74 117.00 116.43 2wrj n LEU 24 Ca -0.02 -2.33 -0.37 0.00 -0.01 0.00 0.00 56.01 53.28 2wrj n LEU 24 Cb 0.06 -0.53 -0.10 0.00 -0.11 0.00 0.00 43.42 42.74 2wrj n LEU 24 CO 0.16 -0.84 1.41 -0.81 -1.51 0.00 0.00 177.39 175.79 2wrj n PRO 25 N -2.53 0.03 0.05 3.23 -0.04 -1.25 -4.45 135.00 130.04 2wrj n PRO 25 Ca 0.17 -0.93 -0.12 0.00 -0.04 0.00 0.00 63.50 62.57 2wrj n PRO 25 Cb 0.60 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 2wrj n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrj h ALA 26 N 9.59 -0.17 -1.20 0.55 0.00 -1.84 -3.45 119.26 122.74 2wrj h ALA 26 Ca 0.22 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2wrj h ALA 26 Cb 0.57 0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.14 2wrj h ALA 26 CO 1.86 -0.36 0.52 -1.21 0.00 0.00 0.00 179.25 180.06 2wrj s GLU 27 N -4.19 0.22 -0.18 0.00 2.02 -1.26 -5.09 118.70 110.21 2wrj s GLU 27 Ca -0.15 0.40 -0.06 0.00 0.02 0.00 0.00 54.97 55.19 2wrj s GLU 27 Cb 0.02 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.30 2wrj s GLU 27 CO 0.59 -0.05 0.02 0.96 0.02 0.00 0.00 175.26 176.79 2wrj s ILE 28 N 1.38 4.28 -0.88 -1.63 -0.00 -1.26 -4.93 121.20 118.16 2wrj s ILE 28 Ca -0.07 -0.21 -0.19 0.00 -0.00 0.00 0.00 60.65 60.18 2wrj s ILE 28 Cb -0.03 -2.92 0.13 0.00 -0.00 0.00 0.00 42.46 39.64 2wrj s ILE 28 CO -0.13 0.45 1.06 0.21 -0.00 0.00 0.00 174.94 176.53 2wrj s ASN 29 N 0.59 6.58 0.11 4.36 3.84 -1.26 -4.92 114.94 124.24 2wrj s ASN 29 Ca 0.00 -1.98 -0.22 0.00 0.21 0.00 0.00 52.86 50.87 2wrj s ASN 29 Cb -0.14 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.14 2wrj s ASN 29 CO 0.02 -1.05 1.30 -2.65 -2.79 0.00 0.00 177.10 171.93 2wrj n PRO 30 N 6.40 -0.32 -0.01 0.43 -0.02 -1.26 -1.65 135.00 138.57 2wrj n PRO 30 Ca 0.19 1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 62.94 2wrj n PRO 30 Cb 0.48 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 2wrj n PRO 30 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wrj h HIS 31 N 0.00 -0.11 -0.72 6.00 -0.00 -2.00 -2.65 115.15 115.66 2wrj h HIS 31 Ca 0.11 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.57 2wrj h HIS 31 Cb 0.29 0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 27.66 2wrj h HIS 31 CO -0.93 -0.03 -0.40 -0.11 -0.00 0.00 0.00 177.93 176.47 2wrj n LEU 32 N -2.91 -0.70 -0.24 0.26 0.00 -0.66 0.12 117.00 112.87 2wrj n LEU 32 Ca -0.00 1.28 0.04 0.00 0.00 0.00 0.00 56.01 57.33 2wrj n LEU 32 Cb 0.02 -0.19 0.16 0.00 0.00 0.00 0.00 43.42 43.41 2wrj n LEU 32 CO -0.00 -1.06 0.87 -0.07 0.00 0.00 0.00 177.39 177.13 2wrj h LEU 33 N 0.00 -0.18 0.26 -1.96 4.07 -1.09 -1.82 115.31 114.59 2wrj h LEU 33 Ca 0.14 0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.28 2wrj h LEU 33 Cb 0.32 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 2wrj h LEU 33 CO -0.69 -0.11 -0.40 -0.25 -1.08 0.00 0.00 178.44 175.92 2wrj h TRP 34 N 0.17 -1.09 -1.14 1.13 7.01 0.11 -1.33 115.95 120.81 2wrj h TRP 34 Ca 0.39 0.02 0.33 0.00 2.11 0.00 0.00 58.89 61.74 2wrj h TRP 34 Cb 0.68 0.44 -0.05 0.00 -2.10 0.00 0.00 29.16 28.14 2wrj h TRP 34 CO -0.34 -0.52 0.83 1.49 -2.79 0.00 0.00 178.44 177.11 2wrj h GLU 35 N -0.72 0.00 0.01 2.65 4.81 -0.80 0.74 114.58 121.27 2wrj h GLU 35 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wrj h GLU 35 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2wrj h GLU 35 CO -0.15 0.00 -0.00 0.28 -0.73 0.00 0.00 179.01 178.41 2wrj h VAL 36 N 0.00 1.50 0.00 0.32 2.07 -0.86 -1.51 116.25 117.77 2wrj h VAL 36 Ca 0.54 -1.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2wrj h VAL 36 Cb 2.19 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 34.53 2wrj h VAL 36 CO -0.01 0.41 -0.25 0.58 0.02 0.00 0.00 177.57 178.32 2wrj h VAL 37 N -0.70 1.18 -0.54 2.57 2.07 0.33 0.27 116.25 121.43 2wrj h VAL 37 Ca -0.00 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.55 2wrj h VAL 37 Cb 0.68 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2wrj h VAL 37 CO 0.00 0.25 -0.06 -0.09 0.02 0.00 0.00 177.57 177.69 2wrj h ARG 38 N 0.00 1.00 -0.35 1.57 2.43 0.32 0.29 114.38 119.65 2wrj h ARG 38 Ca -0.00 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 2wrj h ARG 38 Cb 0.45 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2wrj h ARG 38 CO 0.03 1.03 0.13 2.35 -1.51 0.00 0.00 179.97 182.00 2wrj h TRP 39 N 0.88 0.54 0.47 2.20 7.01 -0.06 0.41 115.95 127.40 2wrj h TRP 39 Ca 0.15 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 2wrj h TRP 39 Cb 0.61 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 2wrj h TRP 39 CO 0.04 0.51 -0.23 1.96 -2.79 0.00 0.00 178.44 177.94 2wrj h GLN 40 N 0.41 -0.61 0.00 2.65 4.20 -0.13 0.74 115.11 122.37 2wrj h GLN 40 Ca 0.12 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2wrj h GLN 40 Cb 0.21 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2wrj h GLN 40 CO -0.01 -0.41 0.24 1.25 -0.67 0.00 0.00 178.83 179.23 2wrj h LEU 41 N -0.77 0.00 0.00 1.46 6.46 -0.48 -2.63 115.31 119.36 2wrj h LEU 41 Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2wrj h LEU 41 Cb 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2wrj h LEU 41 CO 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 177.93 2wrj n ALA 42 N -1.70 0.00 -0.42 1.25 0.00 0.13 -4.33 120.51 115.45 2wrj n ALA 42 Ca -0.01 -0.02 0.37 0.00 0.00 0.00 0.00 53.44 53.78 2wrj n ALA 42 Cb 0.27 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.35 2wrj n ALA 42 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrj n LYS 43 N -1.25 -0.04 -0.01 0.00 2.85 0.22 -0.27 118.16 119.65 2wrj n LYS 43 Ca 0.00 1.24 0.00 0.00 -1.05 0.00 0.00 58.31 58.50 2wrj n LYS 43 Cb 0.00 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 31.98 2wrj n LYS 43 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2wrj n ARG 44 N -4.78 0.72 -3.65 -1.58 1.85 -1.00 -4.71 116.66 103.50 2wrj n ARG 44 Ca 0.39 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.90 2wrj n ARG 44 Cb 1.45 -1.14 -0.05 0.00 -1.05 0.00 0.00 32.46 31.67 2wrj n ARG 44 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2wrj s ARG 45 N 0.29 3.67 -0.03 2.89 0.52 0.62 -5.01 118.95 121.90 2wrj s ARG 45 Ca 0.00 0.03 -0.24 0.00 -0.52 0.00 0.00 55.73 55.00 2wrj s ARG 45 Cb 0.00 -2.96 -0.18 0.00 0.52 0.00 0.00 34.95 32.33 2wrj s ARG 45 CO 0.00 0.54 1.09 -0.09 0.02 0.00 0.00 175.30 176.86 2wrj h ARG 46 N 3.44 -0.14 -4.79 3.54 9.65 -1.89 -3.46 114.38 120.73 2wrj h ARG 46 Ca -0.48 0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.21 2wrj h ARG 46 Cb 1.18 0.03 0.14 0.00 -1.39 0.00 0.00 29.97 29.94 2wrj h ARG 46 CO 0.69 0.33 -0.62 0.41 2.80 0.00 0.00 179.97 183.58 2wrj n GLY 47 N 0.35 -0.50 2.28 2.80 0.00 -1.26 -4.94 105.19 103.92 2wrj n GLY 47 Ca -0.08 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2wrj n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wrj n THR 48 N -2.94 1.93 -3.62 2.61 -2.24 -1.26 -3.72 114.28 105.05 2wrj n THR 48 Ca -0.10 -3.56 -0.40 0.00 -2.27 0.00 0.00 64.05 57.72 2wrj n THR 48 Cb 0.60 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 2wrj n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrj s ALA 49 N -3.56 3.25 -0.17 6.98 0.00 -1.26 -4.98 121.76 122.02 2wrj s ALA 49 Ca 0.40 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2wrj s ALA 49 Cb 0.37 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 20.96 2wrj s ALA 49 CO -0.00 -1.46 -0.03 0.45 0.00 0.00 0.00 175.76 174.72 2wrj s SER 50 N 1.69 2.86 0.63 0.00 0.15 -1.26 -2.90 113.70 114.86 2wrj s SER 50 Ca 0.02 -0.70 -0.00 0.00 0.70 0.00 0.00 55.95 55.96 2wrj s SER 50 Cb -0.20 -0.86 0.07 0.00 -1.71 0.00 0.00 66.02 63.32 2wrj s SER 50 CO 0.05 -0.21 0.88 0.42 1.20 0.00 0.00 173.24 175.58 2wrj s THR 51 N 1.67 2.44 -0.17 6.45 -4.23 -0.98 -5.02 115.64 115.79 2wrj s THR 51 Ca 0.00 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 2wrj s THR 51 Cb -0.16 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 2wrj s THR 51 CO -0.07 0.00 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.42 2wrj s LYS 52 N -4.95 3.60 0.94 3.99 1.02 -1.26 -4.95 119.74 118.13 2wrj s LYS 52 Ca 0.61 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 2wrj s LYS 52 Cb -0.09 -2.92 0.15 0.00 -0.52 0.00 0.00 37.83 34.45 2wrj s LYS 52 CO 0.41 0.15 1.09 -0.08 -0.92 0.00 0.00 175.35 176.00 2wrj s THR 53 N 0.60 2.43 0.22 2.17 -1.32 -1.26 -1.86 115.64 116.61 2wrj s THR 53 Ca -0.03 0.14 0.29 0.00 -1.21 0.00 0.00 61.69 60.88 2wrj s THR 53 Cb -0.14 -2.63 0.29 0.00 -1.51 0.00 0.00 72.50 68.50 2wrj s THR 53 CO 0.03 -0.18 1.87 0.08 -2.21 0.00 0.00 174.62 174.20 2wrj h ARG 54 N -1.68 0.00 -0.63 7.08 0.11 -1.82 0.56 114.38 118.00 2wrj h ARG 54 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2wrj h ARG 54 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2wrj h ARG 54 CO 0.56 0.00 0.00 0.41 0.10 0.00 0.00 179.97 181.04 2wrj n GLY 55 N -1.22 2.59 0.10 0.08 0.00 -1.26 -4.32 105.19 101.16 2wrj n GLY 55 Ca -0.02 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.39 2wrj n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrj n GLU 56 N 1.34 1.40 -3.78 1.61 1.02 0.20 -5.04 120.64 117.38 2wrj n GLU 56 Ca 0.21 -2.25 -0.31 0.00 -0.02 0.00 0.00 57.16 54.80 2wrj n GLU 56 Cb 0.58 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 2wrj n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wrj s VAL 57 N -2.31 5.26 -1.60 2.62 1.01 -1.22 -4.77 120.40 119.40 2wrj s VAL 57 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2wrj s VAL 57 Cb 0.21 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2wrj s VAL 57 CO 0.02 0.06 0.40 0.00 0.00 0.00 0.00 175.10 175.58 2wrj n ALA 58 N 0.08 1.90 -1.96 5.51 0.00 -1.26 -4.84 120.51 119.95 2wrj n ALA 58 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 2wrj n ALA 58 Cb 0.52 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.05 2wrj n ALA 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wrj s TYR 59 N -1.60 2.37 0.39 0.00 4.12 -1.26 -5.10 117.35 116.27 2wrj s TYR 59 Ca 0.00 0.06 0.07 0.00 0.02 0.00 0.00 57.07 57.22 2wrj s TYR 59 Cb 0.00 -3.06 0.00 0.00 -1.52 0.00 0.00 41.96 37.38 2wrj s TYR 59 CO 0.00 -1.43 0.53 0.45 0.02 0.00 0.00 175.55 175.12 2wrj s SER 60 N -4.59 5.79 0.33 2.29 0.15 -1.26 -5.02 113.70 111.40 2wrj s SER 60 Ca 0.62 -0.29 0.15 0.00 0.70 0.00 0.00 55.95 57.14 2wrj s SER 60 Cb -0.08 -0.94 0.52 0.00 -1.71 0.00 0.00 66.02 63.81 2wrj s SER 60 CO 0.43 -0.62 1.67 1.23 1.20 0.00 0.00 173.24 177.15 2wrj h GLY 61 N 0.73 0.00 -2.09 9.45 0.00 -1.99 -3.42 103.07 105.75 2wrj h GLY 61 Ca -0.43 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.63 2wrj h GLY 61 CO 0.49 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 177.56 2wrj n ARG 62 N -3.61 0.00 -2.92 4.80 1.74 -1.26 -4.34 116.66 111.07 2wrj n ARG 62 Ca -0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 2wrj n ARG 62 Cb 0.56 -0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.47 2wrj n ARG 62 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wrj s LYS 63 N -0.05 3.69 0.00 5.56 2.20 -1.25 -3.79 119.74 126.09 2wrj s LYS 63 Ca 0.31 -1.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 2wrj s LYS 63 Cb -0.44 -4.95 0.00 0.00 -1.51 0.00 0.00 37.83 30.93 2wrj s LYS 63 CO 0.20 -1.78 0.00 1.51 -0.36 0.00 0.00 175.35 174.93 2wrj n ILE 64 N 5.36 0.00 -4.26 5.43 3.06 0.60 -4.51 119.36 125.04 2wrj n ILE 64 Ca 0.26 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.33 2wrj n ILE 64 Cb 0.48 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.55 2wrj n ILE 64 CO 0.00 0.00 0.00 0.26 -2.50 0.00 0.00 176.55 174.31 2wrj s TRP 65 N -4.53 1.48 -1.38 9.51 0.51 -1.26 -5.03 118.94 118.24 2wrj s TRP 65 Ca 0.00 -0.55 0.00 0.00 -2.12 0.00 0.00 56.10 53.43 2wrj s TRP 65 Cb 0.00 -0.76 0.00 0.00 -0.81 0.00 0.00 33.47 31.90 2wrj s TRP 65 CO 0.00 0.18 0.24 -2.30 -0.51 0.00 0.00 176.95 174.56 2wrj n PRO 66 N 0.42 0.00 0.00 4.98 -0.02 -1.26 -4.79 135.00 134.34 2wrj n PRO 66 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2wrj n PRO 66 Cb 0.57 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2wrj n PRO 66 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wrj n GLN 67 N -0.69 0.00 0.00 -0.52 -0.06 -1.26 -4.62 117.38 110.23 2wrj n GLN 67 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2wrj n GLN 67 Cb 0.00 -0.77 0.00 0.00 -4.06 0.00 0.00 30.24 25.41 2wrj n GLN 67 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2wrj n LYS 68 N 0.00 0.00 -0.54 3.69 3.00 -1.26 -4.78 118.16 118.27 2wrj n LYS 68 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2wrj n LYS 68 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 2wrj n LYS 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2wrj n HIS 69 N 0.00 0.00 -0.02 5.64 8.25 -1.26 -4.06 115.22 123.77 2wrj n HIS 69 Ca 0.00 -0.83 -0.21 0.00 -0.26 0.00 0.00 57.72 56.42 2wrj n HIS 69 Cb 0.00 -0.98 -0.13 0.00 1.12 0.00 0.00 29.99 30.00 2wrj n HIS 69 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2wrj h THR 70 N 2.23 1.10 0.00 1.59 2.02 -1.91 -3.48 112.91 114.46 2wrj h THR 70 Ca 0.09 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.92 2wrj h THR 70 Cb 0.84 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 2wrj h THR 70 CO 0.28 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.40 2wrj n GLY 71 N 1.67 2.26 3.94 2.16 0.00 -1.26 -5.04 105.19 108.91 2wrj n GLY 71 Ca -0.25 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 2wrj n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 72 N 0.00 0.54 0.50 1.61 1.81 -1.26 -5.03 118.95 117.12 2wrj s ARG 72 Ca 0.00 -0.47 -0.17 0.00 -1.72 0.00 0.00 55.73 53.37 2wrj s ARG 72 Cb 0.00 -1.85 -0.08 0.00 -0.45 0.00 0.00 34.95 32.57 2wrj s ARG 72 CO 0.00 -2.47 0.98 0.00 -0.68 0.00 0.00 175.30 173.13 2wrj s ALA 73 N -3.91 3.04 0.53 2.13 0.00 -1.26 -5.00 121.76 117.29 2wrj s ALA 73 Ca 0.75 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 2wrj s ALA 73 Cb -0.03 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 2wrj s ALA 73 CO 0.53 -0.20 1.15 2.89 0.00 0.00 0.00 175.76 180.13 2wrj n ARG 74 N -1.42 1.40 -3.54 0.00 1.85 -1.26 -4.97 116.66 108.71 2wrj n ARG 74 Ca 0.07 0.52 -0.16 0.00 -1.00 0.00 0.00 57.85 57.28 2wrj n ARG 74 Cb 0.54 -2.32 -0.06 0.00 -1.05 0.00 0.00 32.46 29.57 2wrj n ARG 74 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2wrj s HIS 75 N -1.35 -0.59 0.00 2.89 3.76 -1.26 -5.09 115.29 113.65 2wrj s HIS 75 Ca 0.70 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 56.65 2wrj s HIS 75 Cb -0.45 0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2wrj s HIS 75 CO 0.51 -0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 2wrj n GLY 76 N 0.98 0.27 3.76 -2.22 0.00 -1.26 -4.18 105.19 102.55 2wrj n GLY 76 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2wrj n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wrj s ASP 77 N -0.73 5.44 0.00 1.61 -4.77 -1.25 -0.29 116.67 116.68 2wrj s ASP 77 Ca 0.00 -0.05 0.05 0.00 -3.30 0.00 0.00 52.55 49.24 2wrj s ASP 77 Cb 0.00 -1.43 0.26 0.00 -1.09 0.00 0.00 42.92 40.66 2wrj s ASP 77 CO 0.00 0.16 0.82 2.30 0.70 0.00 0.00 175.17 179.15 2wrj n ILE 78 N 0.39 0.30 0.58 2.11 -5.35 -1.26 -2.21 119.36 113.92 2wrj n ILE 78 Ca -0.09 0.08 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 2wrj n ILE 78 Cb 0.52 -1.00 0.41 0.00 -1.74 0.00 0.00 39.64 37.83 2wrj n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrj n GLY 79 N -0.77 -1.67 3.78 3.28 0.00 -1.26 -4.36 105.19 104.20 2wrj n GLY 79 Ca 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2wrj n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 80 N -3.14 3.58 0.16 4.61 0.00 -0.94 -1.77 121.76 124.27 2wrj s ALA 80 Ca 0.10 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.32 2wrj s ALA 80 Cb 0.12 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2wrj s ALA 80 CO 0.57 -1.04 1.52 -0.35 0.00 0.00 0.00 175.76 176.47 2wrj n PRO 81 N 0.59 -0.42 0.00 0.00 -0.04 -1.26 -0.88 135.00 132.99 2wrj n PRO 81 Ca 0.01 1.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.97 2wrj n PRO 81 Cb 0.39 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2wrj n PRO 81 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wrj n ILE 82 N -5.25 0.00 -2.05 0.52 -5.35 -1.26 -3.79 119.36 102.19 2wrj n ILE 82 Ca 0.02 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.12 2wrj n ILE 82 Cb 0.27 -0.93 0.01 0.00 -1.74 0.00 0.00 39.64 37.25 2wrj n ILE 82 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 2wrj n PHE 83 N -0.78 2.65 0.00 4.28 -0.00 -0.06 -5.01 117.46 118.54 2wrj n PHE 83 Ca 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 57.45 55.08 2wrj n PHE 83 Cb 0.00 -1.29 0.00 0.00 -0.00 0.00 0.00 39.48 38.19 2wrj n PHE 83 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2wrj n VAL 84 N 0.05 0.00 -0.15 -2.13 0.31 -1.25 -2.49 118.33 112.68 2wrj n VAL 84 Ca 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.83 2wrj n VAL 84 Cb 0.30 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 2wrj n VAL 84 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrj n GLY 85 N 0.00 1.28 3.78 2.92 0.00 -1.26 -4.74 105.19 107.17 2wrj n GLY 85 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2wrj n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrj s GLY 86 N 2.81 2.94 1.12 -0.02 0.00 -1.04 -4.87 107.32 108.26 2wrj s GLY 86 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.20 2wrj s GLY 86 CO 0.00 -2.16 1.05 -0.32 0.00 0.00 0.00 173.10 171.66 2wrj s GLY 87 N -3.93 1.57 0.26 0.20 0.00 -0.73 -4.90 107.32 99.79 2wrj s GLY 87 Ca 0.09 0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.91 2wrj s GLY 87 CO 0.05 0.68 0.09 0.54 0.00 0.00 0.00 173.10 174.46 2wrj s VAL 88 N -2.49 3.92 0.00 1.40 0.11 -0.78 -4.08 120.40 118.47 2wrj s VAL 88 Ca 0.68 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2wrj s VAL 88 Cb -0.25 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 2wrj s VAL 88 CO 0.63 -0.36 0.00 0.52 -3.33 0.00 0.00 175.10 172.56 2wrj n VAL 89 N -1.03 0.00 -0.26 2.04 0.31 -1.26 -4.03 118.33 114.11 2wrj n VAL 89 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 2wrj n VAL 89 Cb 0.58 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.50 2wrj n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wrj n PHE 90 N 0.00 0.00 -1.69 3.52 3.72 -1.26 -4.87 117.46 116.89 2wrj n PHE 90 Ca 0.00 -0.48 -0.37 0.00 -0.05 0.00 0.00 57.45 56.55 2wrj n PHE 90 Cb 0.00 -0.46 0.06 0.00 -0.94 0.00 0.00 39.48 38.14 2wrj n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wrj n GLY 91 N 1.96 0.26 3.75 1.37 0.00 -1.26 -4.92 105.19 106.35 2wrj n GLY 91 Ca 0.03 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2wrj n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wrj s PRO 92 N -3.09 3.11 0.34 1.61 0.04 -1.26 -4.81 135.00 130.93 2wrj s PRO 92 Ca 0.79 2.09 0.10 0.00 0.04 0.00 0.00 61.00 64.02 2wrj s PRO 92 Cb -0.40 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 2wrj s PRO 92 CO 0.44 -1.17 -0.09 0.15 0.04 0.00 0.00 177.00 176.37 2wrj s LYS 93 N -3.01 1.85 0.21 4.56 -0.14 -1.22 -2.33 119.74 119.66 2wrj s LYS 93 Ca 0.73 -1.90 -0.31 0.00 -1.36 0.00 0.00 55.97 53.13 2wrj s LYS 93 Cb -0.37 -1.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.94 2wrj s LYS 93 CO 0.43 0.15 1.45 -1.25 -0.76 0.00 0.00 175.35 175.37 2wrj s PRO 94 N -3.62 4.27 0.16 -1.68 0.04 -1.14 -4.66 135.00 128.37 2wrj s PRO 94 Ca 0.33 2.27 -0.23 0.00 0.04 0.00 0.00 61.00 63.40 2wrj s PRO 94 Cb 0.02 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.48 2wrj s PRO 94 CO 0.17 -0.45 0.61 -0.98 0.04 0.00 0.00 177.00 176.39 2wrj s ARG 95 N 0.21 1.30 -0.18 4.56 1.70 -1.24 -5.03 118.95 120.26 2wrj s ARG 95 Ca 0.62 -0.49 -0.23 0.00 -0.47 0.00 0.00 55.73 55.16 2wrj s ARG 95 Cb -0.41 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2wrj s ARG 95 CO 0.38 -0.57 0.74 0.34 -1.08 0.00 0.00 175.30 175.12 2wrj s ASP 96 N -2.75 6.84 0.00 -2.89 2.15 -1.26 -4.46 116.67 114.30 2wrj s ASP 96 Ca 0.02 1.03 0.23 0.00 0.43 0.00 0.00 52.55 54.26 2wrj s ASP 96 Cb -0.01 -2.41 0.46 0.00 -0.30 0.00 0.00 42.92 40.66 2wrj s ASP 96 CO -0.12 -0.34 1.42 -1.22 -0.17 0.00 0.00 175.17 174.74 2wrj n TYR 97 N 5.12 0.39 -3.58 -5.34 4.01 -1.26 -4.98 117.16 111.52 2wrj n TYR 97 Ca 0.02 -0.20 -0.27 0.00 -0.16 0.00 0.00 57.90 57.29 2wrj n TYR 97 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 2wrj n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2wrj s SER 98 N -1.57 6.38 0.10 7.72 1.04 -1.26 -4.45 113.70 121.66 2wrj s SER 98 Ca 0.37 0.47 0.02 0.00 0.48 0.00 0.00 55.95 57.29 2wrj s SER 98 Cb 0.22 -2.04 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 2wrj s SER 98 CO 0.31 -0.12 0.09 0.00 0.98 0.00 0.00 173.24 174.50 2wrj n TYR 99 N -0.91 -0.26 -3.57 5.02 4.11 -1.26 -4.99 117.16 115.29 2wrj n TYR 99 Ca -0.04 -0.81 -0.37 0.00 -0.00 0.00 0.00 57.90 56.68 2wrj n TYR 99 Cb 0.54 0.09 -0.05 0.00 -0.00 0.00 0.00 39.34 39.92 2wrj n TYR 99 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wrj n THR 100 N -0.18 3.26 -1.77 -3.48 -1.04 -1.26 -5.00 114.28 104.81 2wrj n THR 100 Ca 0.02 -5.19 -0.41 0.00 -2.04 0.00 0.00 64.05 56.43 2wrj n THR 100 Cb 0.18 -2.37 -0.01 0.00 -1.82 0.00 0.00 70.33 66.30 2wrj n THR 100 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2wrj s LEU 101 N -1.51 4.34 0.19 -4.42 2.96 -1.26 -4.86 118.68 114.12 2wrj s LEU 101 Ca 0.29 2.97 -0.31 0.00 -0.22 0.00 0.00 54.13 56.85 2wrj s LEU 101 Cb -0.06 -3.64 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 2wrj s LEU 101 CO -0.11 -0.92 0.98 -2.65 -1.32 0.00 0.00 176.35 172.33 2wrj n PRO 102 N 2.14 0.85 0.09 0.98 -0.02 -1.26 -4.86 135.00 132.92 2wrj n PRO 102 Ca 0.08 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2wrj n PRO 102 Cb 0.37 -1.66 0.24 0.00 -0.02 0.00 0.00 33.50 32.43 2wrj n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wrj h LYS 103 N 2.50 0.25 0.00 -0.52 1.57 -2.00 -1.84 116.57 116.54 2wrj h LYS 103 Ca -0.40 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2wrj h LYS 103 Cb 1.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2wrj h LYS 103 CO 0.65 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 181.76 2wrj n LYS 104 N -4.05 0.61 0.00 3.15 5.02 -1.26 -1.23 118.16 120.40 2wrj n LYS 104 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 2wrj n LYS 104 Cb 0.46 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 2wrj n LYS 104 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wrj n VAL 105 N -0.86 0.00 0.64 -0.18 0.31 -0.71 -3.06 118.33 114.48 2wrj n VAL 105 Ca 0.11 -0.39 0.12 0.00 -0.01 0.00 0.00 64.34 64.17 2wrj n VAL 105 Cb 0.05 1.04 0.29 0.00 -0.91 0.00 0.00 33.84 34.31 2wrj n VAL 105 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrj n ARG 106 N -0.70 0.25 0.00 5.55 5.12 -0.37 -3.83 116.66 122.68 2wrj n ARG 106 Ca 0.02 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 2wrj n ARG 106 Cb 0.12 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2wrj n ARG 106 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wrj n LYS 107 N -2.10 0.00 -0.00 5.56 4.76 -1.19 -3.98 118.16 121.21 2wrj n LYS 107 Ca 0.04 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2wrj n LYS 107 Cb 0.42 -0.42 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrj n LYS 107 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wrj n LYS 108 N -2.39 -0.00 0.14 1.97 4.76 -1.17 0.44 118.16 121.91 2wrj n LYS 108 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 2wrj n LYS 108 Cb 0.00 -0.00 0.20 0.00 -1.84 0.00 0.00 35.03 33.39 2wrj n LYS 108 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2wrj h GLY 109 N 0.00 0.00 1.46 0.72 0.00 -1.83 -2.82 103.07 100.60 2wrj h GLY 109 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2wrj h GLY 109 CO -0.00 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 174.20 2wrj h LEU 110 N 0.00 0.63 0.41 3.11 7.12 0.91 -0.69 115.31 126.80 2wrj h LEU 110 Ca 0.00 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 2wrj h LEU 110 Cb 0.89 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 2wrj h LEU 110 CO 0.00 0.92 -0.20 0.00 -0.13 0.00 0.00 178.44 179.03 2wrj h ALA 111 N 1.12 -0.55 -1.24 1.25 0.00 -1.30 -3.04 119.26 115.50 2wrj h ALA 111 Ca 0.06 -0.15 0.46 0.00 0.00 0.00 0.00 54.91 55.27 2wrj h ALA 111 Cb 0.83 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 2wrj h ALA 111 CO 0.07 -0.54 0.76 -1.33 0.00 0.00 0.00 179.25 178.21 2wrj n MET 112 N -5.15 -0.04 0.34 0.00 2.81 -1.07 0.25 117.12 114.26 2wrj n MET 112 Ca -0.08 1.30 -0.14 0.00 -1.81 0.00 0.00 57.70 56.97 2wrj n MET 112 Cb 0.25 -2.48 -0.07 0.00 -0.71 0.00 0.00 33.22 30.21 2wrj n MET 112 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wrj h ALA 113 N 1.74 -0.93 -0.84 3.04 0.00 -1.12 0.46 119.26 121.62 2wrj h ALA 113 Ca 0.87 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.67 2wrj h ALA 113 Cb 2.63 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 20.71 2wrj h ALA 113 CO -0.58 -0.86 0.55 0.28 0.00 0.00 0.00 179.25 178.64 2wrj h VAL 114 N -1.21 0.99 0.00 0.00 2.07 -0.37 -0.89 116.25 116.85 2wrj h VAL 114 Ca -0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2wrj h VAL 114 Cb 0.69 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2wrj h VAL 114 CO 0.15 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.90 2wrj n ALA 115 N -2.42 -0.00 -0.36 1.67 0.00 0.68 -2.10 120.51 117.97 2wrj n ALA 115 Ca 0.14 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.89 2wrj n ALA 115 Cb 0.27 0.01 0.54 0.00 0.00 0.00 0.00 19.45 20.28 2wrj n ALA 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wrj n ASP 116 N -0.53 0.20 0.09 0.00 2.03 0.16 0.14 116.55 118.63 2wrj n ASP 116 Ca 0.00 1.19 -0.13 0.00 0.52 0.00 0.00 54.79 56.37 2wrj n ASP 116 Cb 0.00 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 39.73 2wrj n ASP 116 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2wrj h ARG 117 N 0.00 -0.19 -0.59 -0.67 9.65 -1.07 -2.78 114.38 118.73 2wrj h ARG 117 Ca 0.72 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.69 2wrj h ARG 117 Cb 2.24 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 30.80 2wrj h ARG 117 CO -0.44 0.04 0.25 0.00 2.80 0.00 0.00 179.97 182.63 2wrj h ALA 118 N 0.41 0.77 -0.43 2.80 0.00 0.25 -0.86 119.26 122.21 2wrj h ALA 118 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2wrj h ALA 118 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 2wrj h ALA 118 CO 0.03 -0.14 -0.48 -0.09 0.00 0.00 0.00 179.25 178.57 2wrj h ARG 119 N 0.46 -0.33 -0.03 0.00 2.43 -1.36 1.52 114.38 117.08 2wrj h ARG 119 Ca 0.29 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2wrj h ARG 119 Cb 0.30 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2wrj h ARG 119 CO -0.26 -0.22 0.10 0.93 -1.51 0.00 0.00 179.97 179.01 2wrj h GLU 120 N -0.35 0.00 0.00 0.20 5.08 -1.02 -3.45 114.58 115.04 2wrj h GLU 120 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2wrj h GLU 120 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2wrj h GLU 120 CO -0.60 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 177.82 2wrj n GLY 121 N -1.20 3.24 0.00 -3.84 0.00 0.52 -4.87 105.19 99.04 2wrj n GLY 121 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wrj n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrj n LYS 122 N -1.86 0.00 -3.18 1.61 4.76 -1.15 -4.59 118.16 113.76 2wrj n LYS 122 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2wrj n LYS 122 Cb 0.00 -1.41 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 2wrj n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2wrj s LEU 123 N -1.62 4.38 -0.03 -0.35 2.96 -1.24 -1.61 118.68 121.18 2wrj s LEU 123 Ca 0.00 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 2wrj s LEU 123 Cb 0.00 -2.94 0.03 0.00 0.50 0.00 0.00 46.19 43.78 2wrj s LEU 123 CO 0.00 0.04 0.04 -0.22 -1.32 0.00 0.00 176.35 174.89 2wrj s LEU 124 N 0.10 0.80 -0.44 -0.68 2.96 -0.20 -4.63 118.68 116.58 2wrj s LEU 124 Ca 0.32 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2wrj s LEU 124 Cb -0.18 -0.10 0.12 0.00 0.50 0.00 0.00 46.19 46.53 2wrj s LEU 124 CO 0.17 -0.16 0.19 -1.48 -1.32 0.00 0.00 176.35 173.74 2wrj s LEU 125 N 1.41 4.77 0.00 -0.68 2.34 -1.25 0.08 118.68 125.35 2wrj s LEU 125 Ca -0.05 -2.49 0.00 0.00 0.06 0.00 0.00 54.13 51.65 2wrj s LEU 125 Cb -0.13 -1.70 0.00 0.00 -0.56 0.00 0.00 46.19 43.81 2wrj s LEU 125 CO -0.03 -0.36 0.00 1.33 -1.06 0.00 0.00 176.35 176.23 2wrj n VAL 126 N 3.86 0.00 0.00 1.48 0.24 -0.49 -1.62 118.33 121.79 2wrj n VAL 126 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2wrj n VAL 126 Cb 0.38 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 2wrj n VAL 126 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2wrj n GLU 127 N 0.00 0.00 -3.31 7.34 4.07 -1.26 -4.33 120.64 123.15 2wrj n GLU 127 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 2wrj n GLU 127 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 2wrj n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wrj s ALA 128 N -0.11 3.49 -0.38 4.31 0.00 -1.26 -4.94 121.76 122.88 2wrj s ALA 128 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 51.96 51.91 2wrj s ALA 128 Cb 0.00 -2.65 0.31 0.00 0.00 0.00 0.00 23.12 20.79 2wrj s ALA 128 CO 0.00 0.06 0.66 1.19 0.00 0.00 0.00 175.76 177.67 2wrj n PHE 129 N 3.40 -0.11 -0.26 0.00 3.72 -1.26 -4.95 117.46 117.99 2wrj n PHE 129 Ca -0.07 -3.68 0.04 0.00 -0.05 0.00 0.00 57.45 53.69 2wrj n PHE 129 Cb 0.52 -0.34 0.14 0.00 -0.94 0.00 0.00 39.48 38.85 2wrj n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wrj h ALA 130 N 3.38 0.69 -2.90 4.37 0.00 -1.94 -3.38 119.26 119.48 2wrj h ALA 130 Ca 0.08 0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.74 2wrj h ALA 130 Cb 0.94 0.50 0.08 0.00 0.00 0.00 0.00 17.79 19.31 2wrj h ALA 130 CO 0.48 -0.43 0.67 0.20 0.00 0.00 0.00 179.25 180.17 2wrj s GLY 131 N -3.77 2.96 0.30 0.00 0.00 -1.26 -4.99 107.32 100.57 2wrj s GLY 131 Ca -0.14 1.34 -0.19 0.00 0.00 0.00 0.00 44.72 45.73 2wrj s GLY 131 CO 0.75 1.98 0.84 0.54 0.00 0.00 0.00 173.10 177.21 2wrj s VAL 132 N -1.17 0.00 -0.75 1.40 0.11 -1.26 -4.89 120.40 113.84 2wrj s VAL 132 Ca 0.52 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2wrj s VAL 132 Cb -0.41 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2wrj s VAL 132 CO 0.54 0.00 0.62 0.59 -3.33 0.00 0.00 175.10 173.53 2wrj n ASN 133 N -1.08 -2.26 -2.61 3.54 5.03 -1.26 -4.16 115.26 112.47 2wrj n ASN 133 Ca -0.06 -0.38 -0.16 0.00 0.87 0.00 0.00 54.58 54.85 2wrj n ASN 133 Cb 0.60 -3.34 0.01 0.00 -1.02 0.00 0.00 39.78 36.03 2wrj n ASN 133 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wrj n GLY 134 N -1.11 -0.22 2.69 7.41 0.00 -1.26 -4.94 105.19 107.76 2wrj n GLY 134 Ca -0.16 0.45 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2wrj n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrj s LYS 135 N -2.15 0.02 0.12 1.61 2.47 -1.26 -4.81 119.74 115.74 2wrj s LYS 135 Ca 0.11 0.24 -0.30 0.00 -1.56 0.00 0.00 55.97 54.46 2wrj s LYS 135 Cb -0.01 -0.99 -0.10 0.00 -1.46 0.00 0.00 37.83 35.27 2wrj s LYS 135 CO 0.43 -0.48 1.49 1.15 0.16 0.00 0.00 175.35 178.10 2wrj h THR 136 N 6.40 0.00 -0.70 3.43 2.02 -1.81 -2.28 112.91 119.97 2wrj h THR 136 Ca -0.14 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.20 2wrj h THR 136 Cb 1.13 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.43 2wrj h THR 136 CO 0.21 0.00 0.07 0.11 0.37 0.00 0.00 175.52 176.28 2wrj h LYS 137 N -0.36 0.16 -0.98 6.66 1.57 -1.97 0.29 116.57 121.94 2wrj h LYS 137 Ca 0.06 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 2wrj h LYS 137 Cb 0.54 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 2wrj h LYS 137 CO -0.53 0.11 0.61 0.93 -0.57 0.00 0.00 179.45 179.99 2wrj h GLU 138 N 0.16 0.90 0.26 3.15 5.08 -1.79 0.56 114.58 122.90 2wrj h GLU 138 Ca 0.39 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2wrj h GLU 138 Cb 0.66 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2wrj h GLU 138 CO -0.57 0.59 -0.12 0.35 -1.00 0.00 0.00 179.01 178.26 2wrj h PHE 139 N 0.93 -0.32 -0.96 4.33 3.57 -0.38 -2.11 116.94 121.99 2wrj h PHE 139 Ca 0.50 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 62.22 2wrj h PHE 139 Cb 0.55 0.11 -0.18 0.00 2.79 0.00 0.00 35.95 39.22 2wrj h PHE 139 CO -0.01 -0.20 -0.10 1.25 -2.23 0.00 0.00 178.31 177.01 2wrj h LEU 140 N -0.74 -0.67 0.00 0.59 5.85 -0.32 1.32 115.31 121.34 2wrj h LEU 140 Ca -0.04 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2wrj h LEU 140 Cb 0.27 0.53 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2wrj h LEU 140 CO 0.06 -0.32 0.00 0.00 -0.34 0.00 0.00 178.44 177.84 2wrj n ALA 141 N -3.33 -0.30 -0.42 1.25 0.00 0.19 -1.55 120.51 116.36 2wrj n ALA 141 Ca 0.19 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.98 2wrj n ALA 141 Cb 0.60 0.12 0.63 0.00 0.00 0.00 0.00 19.45 20.81 2wrj n ALA 141 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2wrj h TRP 142 N 0.00 0.59 0.41 0.00 7.01 -0.17 0.13 115.95 123.91 2wrj h TRP 142 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2wrj h TRP 142 Cb 0.00 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2wrj h TRP 142 CO -0.07 -0.23 -0.41 0.00 -2.79 0.00 0.00 178.44 174.94 2wrj h ALA 143 N 1.66 -0.89 -1.72 2.65 0.00 0.25 -1.51 119.26 119.70 2wrj h ALA 143 Ca 0.82 -0.14 0.50 0.00 0.00 0.00 0.00 54.91 56.08 2wrj h ALA 143 Cb 2.47 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 20.77 2wrj h ALA 143 CO -0.47 -1.04 1.24 -0.22 0.00 0.00 0.00 179.25 178.77 2wrj h LYS 144 N -0.83 0.00 0.00 0.00 3.64 0.33 0.44 116.57 120.14 2wrj h LYS 144 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wrj h LYS 144 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2wrj h LYS 144 CO -0.06 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.51 2wrj n GLU 145 N -4.00 0.81 0.00 1.90 -0.58 -0.57 -3.17 120.64 115.03 2wrj n GLU 145 Ca 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 2wrj n GLU 145 Cb 1.77 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 31.14 2wrj n GLU 145 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrj n ALA 146 N -1.02 1.85 -0.61 0.62 0.00 0.15 -4.95 120.51 116.56 2wrj n ALA 146 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2wrj n ALA 146 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2wrj n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 147 N -0.37 0.62 3.19 0.00 0.00 -1.19 -4.99 105.19 102.46 2wrj n GLY 147 Ca 0.00 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 2wrj n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 148 N 0.00 5.90 0.18 0.99 4.77 -1.16 -4.73 117.00 122.95 2wrj n LEU 148 Ca 0.00 -4.80 0.07 0.00 -0.03 0.00 0.00 56.01 51.25 2wrj n LEU 148 Cb 0.00 -1.48 0.11 0.00 -2.33 0.00 0.00 43.42 39.71 2wrj n LEU 148 CO 0.00 1.24 0.63 -2.24 -1.33 0.00 0.00 177.39 175.69 2wrj h ASP 149 N 6.32 0.00 0.00 -1.43 3.04 -1.89 -3.32 116.42 119.14 2wrj h ASP 149 Ca 0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 2wrj h ASP 149 Cb 0.76 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.05 2wrj h ASP 149 CO 1.31 0.27 0.00 0.61 -2.04 0.00 0.00 179.24 179.39 2wrj n GLY 150 N 1.13 1.74 0.73 7.15 0.00 -1.26 -4.99 105.19 109.70 2wrj n GLY 150 Ca 0.03 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2wrj n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrj n SER 151 N 0.05 2.46 -3.38 1.61 7.64 -1.26 -4.73 113.62 116.00 2wrj n SER 151 Ca 0.00 -1.75 -0.17 0.00 1.01 0.00 0.00 58.87 57.96 2wrj n SER 151 Cb 0.01 0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 2wrj n SER 151 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2wrj s GLU 152 N -2.19 0.46 0.02 1.43 2.02 -1.26 -5.11 118.70 114.08 2wrj s GLU 152 Ca 0.25 -0.45 -0.39 0.00 0.02 0.00 0.00 54.97 54.40 2wrj s GLU 152 Cb 0.19 -0.69 -0.20 0.00 0.10 0.00 0.00 34.13 33.54 2wrj s GLU 152 CO 0.41 -1.10 1.06 -1.13 0.02 0.00 0.00 175.26 174.52 2wrj n SER 153 N 4.85 0.07 -4.30 -0.19 3.41 -1.26 -4.42 113.62 111.78 2wrj n SER 153 Ca 0.04 1.15 -0.29 0.00 -0.26 0.00 0.00 58.87 59.51 2wrj n SER 153 Cb 0.46 -0.95 -0.15 0.00 -0.26 0.00 0.00 64.21 63.31 2wrj n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wrj s VAL 154 N -0.02 1.95 -0.11 -3.33 1.01 0.40 -2.45 120.40 117.85 2wrj s VAL 154 Ca 0.89 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 2wrj s VAL 154 Cb -1.22 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2wrj s VAL 154 CO 0.56 0.41 0.67 -0.22 0.00 0.00 0.00 175.10 176.53 2wrj s LEU 155 N -0.94 4.26 -0.15 3.92 2.96 -0.71 0.22 118.68 128.24 2wrj s LEU 155 Ca 0.10 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2wrj s LEU 155 Cb -0.09 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.57 2wrj s LEU 155 CO 0.01 -0.17 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.56 2wrj s LEU 156 N 1.17 2.92 -0.05 -0.68 2.96 0.24 -0.65 118.68 124.58 2wrj s LEU 156 Ca 0.34 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2wrj s LEU 156 Cb -0.17 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2wrj s LEU 156 CO 0.15 0.14 -0.07 0.68 -1.32 0.00 0.00 176.35 175.93 2wrj s VAL 157 N 0.51 0.76 0.04 1.68 -7.23 -0.33 -1.48 120.40 114.34 2wrj s VAL 157 Ca -0.06 -0.25 -0.27 0.00 -1.81 0.00 0.00 61.98 59.58 2wrj s VAL 157 Cb -0.15 -0.74 0.09 0.00 0.56 0.00 0.00 36.38 36.14 2wrj s VAL 157 CO 0.03 0.28 0.82 0.28 -0.31 0.00 0.00 175.10 176.20 2wrj s THR 158 N 0.85 0.00 -2.08 5.32 -1.32 -1.20 -1.38 115.64 115.82 2wrj s THR 158 Ca -0.12 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.51 2wrj s THR 158 Cb -0.15 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.23 2wrj s THR 158 CO 0.01 0.00 1.37 0.61 -2.21 0.00 0.00 174.62 174.40 2wrj n GLY 159 N -0.27 0.85 3.55 6.08 0.00 -1.26 -3.95 105.19 110.19 2wrj n GLY 159 Ca -0.11 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2wrj n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wrj s ASN 160 N -1.15 5.92 -0.27 1.61 3.04 -1.26 -4.96 114.94 117.88 2wrj s ASN 160 Ca 0.29 -0.19 -0.01 0.00 0.04 0.00 0.00 52.86 52.99 2wrj s ASN 160 Cb 0.16 -2.10 0.19 0.00 -1.54 0.00 0.00 41.25 37.95 2wrj s ASN 160 CO 0.21 -0.12 2.01 -0.62 -3.04 0.00 0.00 177.10 175.54 2wrj n GLU 161 N 5.06 1.69 0.00 0.43 1.02 -1.26 -2.89 120.64 124.69 2wrj n GLU 161 Ca -0.14 -1.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 2wrj n GLU 161 Cb 0.51 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2wrj n GLU 161 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wrj n LEU 162 N 0.50 1.20 0.24 -4.62 4.32 -1.26 -4.18 117.00 113.20 2wrj n LEU 162 Ca 0.26 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.34 2wrj n LEU 162 Cb 0.57 0.00 0.62 0.00 -1.62 0.00 0.00 43.42 42.99 2wrj n LEU 162 CO 0.33 0.20 0.94 0.58 -1.22 0.00 0.00 177.39 178.22 2wrj h VAL 163 N 0.00 0.87 0.26 4.08 2.07 -1.87 0.73 116.25 122.38 2wrj h VAL 163 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2wrj h VAL 163 Cb 0.41 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2wrj h VAL 163 CO 0.00 0.15 -0.13 -0.09 0.02 0.00 0.00 177.57 177.52 2wrj h ARG 164 N 0.00 -0.34 -0.44 1.57 9.65 -1.79 -0.88 114.38 122.16 2wrj h ARG 164 Ca -0.00 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.03 2wrj h ARG 164 Cb 0.31 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 2wrj h ARG 164 CO 0.02 -0.23 0.43 0.00 2.80 0.00 0.00 179.97 182.99 2wrj h ARG 165 N -0.62 0.00 0.00 0.20 3.08 -1.64 -0.41 114.38 114.98 2wrj h ARG 165 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wrj h ARG 165 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2wrj h ARG 165 CO 0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 2wrj n ALA 166 N -2.40 -0.36 -1.00 0.04 0.00 0.25 -4.46 120.51 112.58 2wrj n ALA 166 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2wrj n ALA 166 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2wrj n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 167 N -1.79 0.00 -0.88 0.00 0.00 -0.19 -3.96 120.51 113.69 2wrj n ALA 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 167 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrj n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrj n ARG 168 N 0.00 0.00 0.00 0.00 1.74 -1.02 -3.86 116.66 113.53 2wrj n ARG 168 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrj n ARG 168 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wrj n ARG 168 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wrj n ASN 169 N 0.88 0.08 -4.68 0.55 2.85 -1.26 -4.65 115.26 109.01 2wrj n ASN 169 Ca 0.00 -0.21 -0.35 0.00 -0.11 0.00 0.00 54.58 53.91 2wrj n ASN 169 Cb 0.00 -0.04 -0.09 0.00 1.24 0.00 0.00 39.78 40.89 2wrj n ASN 169 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2wrj s LEU 170 N -0.26 4.03 0.00 1.20 2.01 -1.25 -4.97 118.68 119.44 2wrj s LEU 170 Ca 0.00 0.15 0.14 0.00 0.01 0.00 0.00 54.13 54.43 2wrj s LEU 170 Cb 0.00 -2.04 0.78 0.00 0.01 0.00 0.00 46.19 44.94 2wrj s LEU 170 CO 0.00 0.16 1.28 -0.81 1.01 0.00 0.00 176.35 178.00 2wrj n PRO 171 N 3.61 0.36 -0.03 1.29 -0.04 -1.26 -2.04 135.00 136.89 2wrj n PRO 171 Ca -0.16 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2wrj n PRO 171 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2wrj n PRO 171 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2wrj n TRP 172 N -1.09 0.00 -4.62 0.54 4.27 -1.26 -4.98 117.44 110.30 2wrj n TRP 172 Ca 0.09 -0.15 -0.32 0.00 -3.89 0.00 0.00 57.50 53.23 2wrj n TRP 172 Cb 0.07 -0.02 -0.17 0.00 -1.36 0.00 0.00 31.31 29.83 2wrj n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2wrj s VAL 173 N -0.33 1.94 -0.80 -1.67 1.01 -0.87 0.15 120.40 119.84 2wrj s VAL 173 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2wrj s VAL 173 Cb 0.01 -1.73 0.21 0.00 0.00 0.00 0.00 36.38 34.87 2wrj s VAL 173 CO 0.00 0.53 0.74 -0.69 0.00 0.00 0.00 175.10 175.68 2wrj s VAL 174 N 0.86 5.51 0.29 2.92 1.01 0.13 -4.51 120.40 126.62 2wrj s VAL 174 Ca -0.07 -2.44 -0.30 0.00 0.00 0.00 0.00 61.98 59.18 2wrj s VAL 174 Cb -0.15 -4.42 -0.12 0.00 0.00 0.00 0.00 36.38 31.68 2wrj s VAL 174 CO -0.02 -1.01 1.44 1.07 0.00 0.00 0.00 175.10 176.58 2wrj n THR 175 N 4.02 1.31 -3.61 3.92 5.66 -1.26 -0.59 114.28 123.73 2wrj n THR 175 Ca 0.12 -0.33 -0.03 0.00 -3.05 0.00 0.00 64.05 60.76 2wrj n THR 175 Cb 0.46 -1.69 -0.06 0.00 -1.55 0.00 0.00 70.33 67.49 2wrj n THR 175 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2wrj s LEU 176 N -0.53 -0.64 0.00 1.09 2.96 -0.55 -4.87 118.68 116.14 2wrj s LEU 176 Ca 0.63 1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 55.44 2wrj s LEU 176 Cb -0.57 1.90 0.15 0.00 0.50 0.00 0.00 46.19 48.17 2wrj s LEU 176 CO 0.54 -0.15 0.36 0.00 -1.32 0.00 0.00 176.35 175.77 2wrj n ALA 177 N 4.08 -2.03 0.80 5.97 0.00 -1.26 -3.27 120.51 124.80 2wrj n ALA 177 Ca -0.17 -0.62 0.12 0.00 0.00 0.00 0.00 53.44 52.77 2wrj n ALA 177 Cb 0.57 -0.05 0.18 0.00 0.00 0.00 0.00 19.45 20.14 2wrj n ALA 177 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wrj n PRO 178 N -3.46 0.14 0.00 0.00 -0.04 -1.25 -4.23 135.00 126.15 2wrj n PRO 178 Ca 0.06 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 2wrj n PRO 178 Cb 0.24 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 2wrj n PRO 178 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wrj h GLU 179 N 0.00 0.23 -0.01 0.54 3.07 -1.95 -3.35 114.58 113.12 2wrj h GLU 179 Ca 0.00 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2wrj h GLU 179 Cb 0.61 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2wrj h GLU 179 CO 0.00 1.19 0.00 0.41 -1.40 0.00 0.00 179.01 179.21 2wrj n GLY 180 N 1.73 0.01 3.55 -3.84 0.00 -1.26 -4.65 105.19 100.73 2wrj n GLY 180 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 2wrj n GLY 180 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wrj n LEU 181 N 0.24 1.16 -4.70 0.99 7.94 -1.26 -4.87 117.00 116.50 2wrj n LEU 181 Ca 0.00 -2.37 -0.36 0.00 -1.11 0.00 0.00 56.01 52.17 2wrj n LEU 181 Cb 0.00 -1.60 -0.08 0.00 0.53 0.00 0.00 43.42 42.26 2wrj n LEU 181 CO 0.00 -3.50 -0.13 0.54 -1.11 0.00 0.00 177.39 173.18 2wrj s ASN 182 N 8.12 6.23 0.54 1.96 2.20 -1.26 -4.97 114.94 127.76 2wrj s ASN 182 Ca 0.78 0.26 0.20 0.00 -0.94 0.00 0.00 52.86 53.15 2wrj s ASN 182 Cb -0.03 -2.12 1.07 0.00 -2.00 0.00 0.00 41.25 38.17 2wrj s ASN 182 CO 0.19 0.12 1.56 -0.37 -2.94 0.00 0.00 177.10 175.66 2wrj h VAL 183 N 4.80 0.00 0.33 3.54 -1.51 -1.92 -0.80 116.25 120.71 2wrj h VAL 183 Ca -0.40 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.06 2wrj h VAL 183 Cb 1.16 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2wrj h VAL 183 CO 0.73 0.00 -0.16 0.22 -1.23 0.00 0.00 177.57 177.12 2wrj h TYR 184 N 0.00 -0.42 -1.00 5.19 3.20 -1.95 -2.87 116.97 119.12 2wrj h TYR 184 Ca 0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 2wrj h TYR 184 Cb 0.85 0.14 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 2wrj h TYR 184 CO 0.00 -0.26 0.63 -0.44 -1.64 0.00 0.00 178.16 176.45 2wrj h ASP 185 N -0.83 0.92 -0.96 -2.11 3.32 -1.55 -0.15 116.42 115.06 2wrj h ASP 185 Ca -0.05 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2wrj h ASP 185 Cb 0.34 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 2wrj h ASP 185 CO 0.08 0.47 0.62 0.40 -1.72 0.00 0.00 179.24 179.09 2wrj h ILE 186 N 0.98 0.98 0.18 0.35 2.04 -1.45 -3.03 117.51 117.56 2wrj h ILE 186 Ca 0.50 -0.34 -0.35 0.00 1.00 0.00 0.00 64.86 65.68 2wrj h ILE 186 Cb 0.52 -0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2wrj h ILE 186 CO -0.28 0.18 -1.74 0.58 0.00 0.00 0.00 178.15 176.90 2wrj h VAL 187 N 1.00 0.92 -0.38 1.67 2.07 -0.91 -3.34 116.25 117.28 2wrj h VAL 187 Ca 0.45 -2.49 0.11 0.00 0.82 0.00 0.00 66.70 65.59 2wrj h VAL 187 Cb 0.38 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 2wrj h VAL 187 CO -0.21 0.85 0.33 0.08 0.02 0.00 0.00 177.57 178.65 2wrj h ARG 188 N 0.06 0.00 -6.03 1.57 0.11 -1.03 -3.41 114.38 105.65 2wrj h ARG 188 Ca -0.35 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.17 2wrj h ARG 188 Cb 2.06 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 33.11 2wrj h ARG 188 CO 0.16 0.00 -0.46 0.95 0.10 0.00 0.00 179.97 180.72 2wrj s THR 189 N -4.79 5.33 0.01 0.08 -4.23 -1.15 -5.05 115.64 105.84 2wrj s THR 189 Ca -0.05 -0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 2wrj s THR 189 Cb 0.17 -3.71 -0.28 0.00 1.34 0.00 0.00 72.50 70.02 2wrj s THR 189 CO 0.62 -0.03 0.89 -0.33 -0.54 0.00 0.00 174.62 175.23 2wrj h GLU 190 N 2.40 0.26 -5.33 3.99 5.08 -1.73 -3.46 114.58 115.79 2wrj h GLU 190 Ca -0.47 -0.44 -0.54 0.00 -1.00 0.00 0.00 59.36 56.90 2wrj h GLU 190 Cb 1.18 0.16 -0.31 0.00 0.50 0.00 0.00 28.75 30.29 2wrj h GLU 190 CO 0.71 1.13 -0.83 0.50 -1.00 0.00 0.00 179.01 179.52 2wrj s ARG 191 N -2.62 1.59 -0.12 2.33 3.52 -1.14 -4.84 118.95 117.67 2wrj s ARG 191 Ca -0.09 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 54.91 2wrj s ARG 191 Cb 0.07 -1.43 -0.03 0.00 -1.56 0.00 0.00 34.95 32.00 2wrj s ARG 191 CO 0.86 0.27 -0.02 -1.17 -0.81 0.00 0.00 175.30 174.43 2wrj s LEU 192 N -0.08 3.40 -0.14 -0.88 0.20 -0.63 -1.74 118.68 118.81 2wrj s LEU 192 Ca -0.01 -0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.81 2wrj s LEU 192 Cb -0.10 -1.80 0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2wrj s LEU 192 CO 0.01 0.27 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.55 2wrj s VAL 193 N -0.24 1.32 0.09 1.68 1.01 0.17 -1.04 120.40 123.40 2wrj s VAL 193 Ca 0.05 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2wrj s VAL 193 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2wrj s VAL 193 CO 0.02 0.37 -0.18 -0.04 0.00 0.00 0.00 175.10 175.27 2wrj s MET 194 N 1.58 1.01 0.00 2.72 -1.94 0.11 -1.19 119.30 121.59 2wrj s MET 194 Ca 0.04 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 2wrj s MET 194 Cb -0.13 -1.18 0.00 0.00 2.01 0.00 0.00 34.83 35.53 2wrj s MET 194 CO -0.09 0.27 0.00 -3.47 -0.01 0.00 0.00 175.02 171.72 2wrj n ASP 195 N 1.17 0.00 -0.03 3.03 -0.08 -0.48 -1.40 116.55 118.76 2wrj n ASP 195 Ca -0.20 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.04 2wrj n ASP 195 Cb 0.54 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.97 2wrj n ASP 195 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2wrj n LEU 196 N 0.00 2.16 0.05 -2.67 4.77 -1.26 -4.00 117.00 116.06 2wrj n LEU 196 Ca 0.00 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2wrj n LEU 196 Cb 0.00 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2wrj n LEU 196 CO 0.00 0.47 0.38 0.44 -1.33 0.00 0.00 177.39 177.35 2wrj h ASP 197 N 0.00 0.46 0.57 -1.43 3.32 -1.95 0.17 116.42 117.55 2wrj h ASP 197 Ca -0.14 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 2wrj h ASP 197 Cb 1.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2wrj h ASP 197 CO -0.01 1.02 -0.56 0.00 -1.72 0.00 0.00 179.24 177.96 2wrj h ALA 198 N 0.98 1.07 0.04 3.45 0.00 -1.91 0.35 119.26 123.24 2wrj h ALA 198 Ca -0.02 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 2wrj h ALA 198 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2wrj h ALA 198 CO 0.12 0.70 -1.18 2.35 0.00 0.00 0.00 179.25 181.23 2wrj h TRP 199 N 0.00 0.17 -0.05 0.00 7.01 -1.61 -2.33 115.95 119.13 2wrj h TRP 199 Ca -0.01 -0.13 -0.24 0.00 2.11 0.00 0.00 58.89 60.63 2wrj h TRP 199 Cb 1.00 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2wrj h TRP 199 CO 0.00 1.11 -0.92 1.49 -2.79 0.00 0.00 178.44 177.33 2wrj h GLU 200 N 0.03 0.65 0.00 2.65 4.81 -0.44 -2.68 114.58 119.60 2wrj h GLU 200 Ca -0.09 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 2wrj h GLU 200 Cb 1.87 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.41 2wrj h GLU 200 CO 0.15 1.24 -0.06 -0.24 -0.73 0.00 0.00 179.01 179.36 2wrj h VAL 201 N 0.40 0.24 0.00 0.32 3.04 -0.33 0.43 116.25 120.35 2wrj h VAL 201 Ca -0.09 -0.44 -0.11 0.00 -1.01 0.00 0.00 66.70 65.05 2wrj h VAL 201 Cb 1.56 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2wrj h VAL 201 CO 0.18 0.06 -0.53 0.15 -1.01 0.00 0.00 177.57 176.41 2wrj h PHE 202 N 0.00 0.00 0.00 3.17 3.57 -1.09 -2.96 116.94 119.63 2wrj h PHE 202 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wrj h PHE 202 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2wrj h PHE 202 CO 0.00 0.53 0.00 1.04 -2.23 0.00 0.00 178.31 177.65 2wrj n GLN 203 N -3.60 0.03 -0.05 1.11 1.13 0.13 -2.93 117.38 113.20 2wrj n GLN 203 Ca -0.00 0.06 -0.13 0.00 -1.94 0.00 0.00 57.00 54.99 2wrj n GLN 203 Cb 0.60 -1.53 -0.14 0.00 0.11 0.00 0.00 30.24 29.28 2wrj n GLN 203 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2wrj n ASN 204 N -1.58 1.05 -0.11 1.08 3.02 -1.14 -3.41 115.26 114.17 2wrj n ASN 204 Ca 0.06 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2wrj n ASN 204 Cb 0.32 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2wrj n ASN 204 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2wrj n ARG 205 N -3.09 0.70 0.00 3.52 0.63 -1.13 -4.64 116.66 112.65 2wrj n ARG 205 Ca -0.27 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.66 2wrj n ARG 205 Cb 1.07 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.90 2wrj n ARG 205 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2wrj n ILE 206 N -0.36 0.00 0.00 5.15 2.08 -1.22 -4.88 119.36 120.13 2wrj n ILE 206 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wrj n ILE 206 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 2wrj n ILE 206 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wrj n GLY 207 N 0.00 -0.83 0.00 7.39 0.00 -1.22 -5.05 105.19 105.48 2wrj n GLY 207 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2wrj n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93