#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s PRO 2 N 0.00 1.98 0.72 0.03 0.04 -1.26 -4.84 135.00 131.67 2wrj s PRO 2 Ca 0.00 0.10 -0.18 0.00 0.04 0.00 0.00 61.00 60.96 2wrj s PRO 2 Cb 0.00 -4.91 -0.14 0.00 0.04 0.00 0.00 34.50 29.49 2wrj s PRO 2 CO 0.00 -4.07 -1.01 0.54 0.04 0.00 0.00 177.00 172.51 2wrj n ARG 3 N 8.80 0.00 -3.85 4.56 1.74 -1.16 -4.54 116.66 122.20 2wrj n ARG 3 Ca 0.44 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.30 2wrj n ARG 3 Cb 0.45 -0.72 -0.17 0.00 -1.02 0.00 0.00 32.46 31.00 2wrj n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wrj s LEU 4 N 5.73 0.77 -0.87 0.55 1.43 -0.79 -2.31 118.68 123.19 2wrj s LEU 4 Ca 0.26 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 2wrj s LEU 4 Cb 0.03 -0.44 0.12 0.00 0.03 0.00 0.00 46.19 45.93 2wrj s LEU 4 CO 0.50 -0.16 1.06 -0.75 0.23 0.00 0.00 176.35 177.23 2wrj s LYS 5 N 1.73 3.50 -0.20 1.70 2.20 -0.84 -2.03 119.74 125.79 2wrj s LYS 5 Ca 0.01 -1.64 -0.10 0.00 -0.36 0.00 0.00 55.97 53.89 2wrj s LYS 5 Cb -0.13 -4.76 -0.05 0.00 -1.51 0.00 0.00 37.83 31.39 2wrj s LYS 5 CO -0.04 -1.74 0.12 0.14 -0.36 0.00 0.00 175.35 173.47 2wrj s VAL 6 N 2.76 5.28 -0.14 4.02 -7.23 -0.50 -3.01 120.40 121.59 2wrj s VAL 6 Ca 0.29 0.15 -0.00 0.00 -1.81 0.00 0.00 61.98 60.61 2wrj s VAL 6 Cb -0.08 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 2wrj s VAL 6 CO -0.06 0.43 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.28 2wrj s LYS 7 N 0.48 3.36 -0.62 4.82 2.20 -0.79 -2.09 119.74 127.09 2wrj s LYS 7 Ca 0.07 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 54.72 2wrj s LYS 7 Cb -0.12 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.56 2wrj s LYS 7 CO -0.01 0.15 1.54 -1.17 -0.36 0.00 0.00 175.35 175.51 2wrj s LEU 8 N 0.50 3.30 -0.24 5.43 0.20 -0.89 -1.59 118.68 125.38 2wrj s LEU 8 Ca -0.09 0.12 -0.17 0.00 0.69 0.00 0.00 54.13 54.69 2wrj s LEU 8 Cb -0.16 -2.75 -0.14 0.00 -0.43 0.00 0.00 46.19 42.72 2wrj s LEU 8 CO 0.04 -1.98 -0.14 1.33 -0.29 0.00 0.00 176.35 175.31 2wrj n VAL 9 N 6.86 1.52 -3.53 1.68 0.24 -0.50 -0.61 118.33 123.98 2wrj n VAL 9 Ca 0.13 -0.19 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 2wrj n VAL 9 Cb 0.50 -2.00 -0.06 0.00 -1.47 0.00 0.00 33.84 30.81 2wrj n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wrj s LYS 10 N -2.47 4.00 0.43 7.34 2.20 -0.95 -4.79 119.74 125.49 2wrj s LYS 10 Ca -0.34 0.27 -0.26 0.00 -0.36 0.00 0.00 55.97 55.29 2wrj s LYS 10 Cb 0.10 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 2wrj s LYS 10 CO 0.51 0.52 1.36 0.45 -0.36 0.00 0.00 175.35 177.83 2wrj s SER 11 N -0.46 6.11 0.32 1.43 0.15 -1.26 -4.77 113.70 115.22 2wrj s SER 11 Ca 0.21 2.77 0.19 0.00 0.70 0.00 0.00 55.95 59.82 2wrj s SER 11 Cb -0.15 -2.65 0.15 0.00 -1.71 0.00 0.00 66.02 61.66 2wrj s SER 11 CO 0.09 -1.00 1.43 1.55 1.20 0.00 0.00 173.24 176.52 2wrj h PRO 12 N 2.52 0.00 -6.04 5.44 0.13 -1.97 -3.47 132.00 128.62 2wrj h PRO 12 Ca -0.50 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.85 2wrj h PRO 12 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2wrj h PRO 12 CO 0.62 0.26 1.03 -0.89 -0.23 0.00 0.00 178.00 178.79 2wrj n ILE 13 N -3.11 0.11 0.00 -3.56 5.41 -1.26 -1.52 119.36 115.43 2wrj n ILE 13 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2wrj n ILE 13 Cb 0.65 -0.86 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 2wrj n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wrj n GLY 14 N 5.43 2.82 3.36 7.39 0.00 -1.26 -5.08 105.19 117.85 2wrj n GLY 14 Ca 0.38 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2wrj n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrj n TYR 15 N 0.00 -1.96 -1.81 1.61 4.02 -0.58 -4.89 117.16 113.56 2wrj n TYR 15 Ca 0.00 0.20 -0.38 0.00 -0.01 0.00 0.00 57.90 57.71 2wrj n TYR 15 Cb 0.00 -1.73 0.05 0.00 -0.02 0.00 0.00 39.34 37.64 2wrj n TYR 15 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2wrj s PRO 16 N -3.41 2.93 0.35 -0.72 0.02 -1.26 -4.82 135.00 128.09 2wrj s PRO 16 Ca 0.54 2.12 0.11 0.00 0.02 0.00 0.00 61.00 63.80 2wrj s PRO 16 Cb -0.20 -2.08 0.90 0.00 0.02 0.00 0.00 34.50 33.14 2wrj s PRO 16 CO 0.70 -1.32 1.80 0.87 -0.33 0.00 0.00 177.00 178.72 2wrj h LYS 17 N 1.09 0.58 -1.01 5.54 1.79 -1.98 0.18 116.57 122.77 2wrj h LYS 17 Ca -0.51 -0.04 0.24 0.00 -2.18 0.00 0.00 60.65 58.17 2wrj h LYS 17 Cb 1.31 -0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.73 2wrj h LYS 17 CO 0.56 0.39 0.64 0.38 -1.08 0.00 0.00 179.45 180.33 2wrj h ASP 18 N 0.60 0.53 0.06 0.86 2.03 -1.98 0.93 116.42 119.45 2wrj h ASP 18 Ca 0.55 0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 56.93 2wrj h ASP 18 Cb 1.08 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 2wrj h ASP 18 CO -0.31 0.14 -0.03 1.56 -1.03 0.00 0.00 179.24 179.57 2wrj h GLN 19 N 0.49 -0.08 -0.72 4.15 4.20 -0.99 -2.92 115.11 119.25 2wrj h GLN 19 Ca 0.58 0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.47 2wrj h GLN 19 Cb 1.31 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.06 2wrj h GLN 19 CO -0.32 0.52 0.50 0.87 -0.67 0.00 0.00 178.83 179.73 2wrj h LYS 20 N -0.88 0.17 0.00 1.46 1.57 -1.28 2.06 116.57 119.67 2wrj h LYS 20 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wrj h LYS 20 Cb 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2wrj h LYS 20 CO 0.01 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 2wrj h ALA 21 N 1.66 1.00 0.00 3.86 0.00 -0.84 -2.39 119.26 122.55 2wrj h ALA 21 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wrj h ALA 21 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wrj h ALA 21 CO -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.19 2wrj h ALA 22 N 2.03 -0.00 -0.70 0.00 0.00 0.35 -3.07 119.26 117.87 2wrj h ALA 22 Ca 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2wrj h ALA 22 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2wrj h ALA 22 CO 0.00 -0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.42 2wrj h LEU 23 N -0.99 0.21 -2.04 0.00 3.38 -1.18 0.33 115.31 115.03 2wrj h LEU 23 Ca -0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2wrj h LEU 23 Cb 0.89 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2wrj h LEU 23 CO 0.00 0.09 -0.04 0.50 0.09 0.00 0.00 178.44 179.08 2wrj h LYS 24 N 0.40 0.00 0.00 1.13 3.64 -1.53 0.55 116.57 120.76 2wrj h LYS 24 Ca 0.38 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2wrj h LYS 24 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2wrj h LYS 24 CO -0.39 0.04 -0.51 0.00 -2.27 0.00 0.00 179.45 176.32 2wrj h ALA 25 N 1.96 0.93 0.05 5.00 0.00 -0.26 -2.95 119.26 123.99 2wrj h ALA 25 Ca -0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 2wrj h ALA 25 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2wrj h ALA 25 CO 0.01 0.64 -1.47 -0.07 0.00 0.00 0.00 179.25 178.36 2wrj h LEU 26 N 0.00 0.18 0.00 0.00 3.38 -0.18 -3.48 115.31 115.20 2wrj h LEU 26 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wrj h LEU 26 Cb 1.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2wrj h LEU 26 CO 0.07 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.43 2wrj n GLY 27 N 1.57 1.02 3.17 0.83 0.00 0.17 -5.02 105.19 106.93 2wrj n GLY 27 Ca -0.13 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 2wrj n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 28 N 0.00 5.97 0.00 0.99 4.77 -0.96 -4.91 117.00 122.87 2wrj n LEU 28 Ca 0.00 -4.89 0.00 0.00 -0.03 0.00 0.00 56.01 51.09 2wrj n LEU 28 Cb 0.02 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 2wrj n LEU 28 CO 0.00 1.33 0.00 0.54 -1.33 0.00 0.00 177.39 177.93 2wrj n ARG 29 N 3.13 0.00 -1.42 3.23 1.74 -1.26 -4.81 116.66 117.26 2wrj n ARG 29 Ca 0.31 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.92 2wrj n ARG 29 Cb 0.37 -0.19 -0.02 0.00 -1.02 0.00 0.00 32.46 31.60 2wrj n ARG 29 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrj n ARG 30 N 0.00 0.25 -2.75 5.56 1.74 -1.26 -4.86 116.66 115.33 2wrj n ARG 30 Ca 0.00 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 2wrj n ARG 30 Cb 0.00 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 2wrj n ARG 30 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wrj s LEU 31 N 2.68 4.45 0.00 0.55 1.98 -1.26 -2.95 118.68 124.13 2wrj s LEU 31 Ca 0.63 1.70 0.00 0.00 -2.89 0.00 0.00 54.13 53.57 2wrj s LEU 31 Cb -0.84 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.47 2wrj s LEU 31 CO 0.58 -0.12 0.00 0.00 -1.89 0.00 0.00 176.35 174.92 2wrj n GLN 32 N 3.16 0.00 -2.24 1.98 1.13 0.22 -5.05 117.38 116.58 2wrj n GLN 32 Ca 0.03 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 2wrj n GLN 32 Cb 0.50 -0.13 -0.03 0.00 0.11 0.00 0.00 30.24 30.69 2wrj n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2wrj s GLN 33 N -0.95 4.27 0.41 -1.09 0.74 -1.15 -4.73 119.66 117.16 2wrj s GLN 33 Ca 0.00 1.94 -0.05 0.00 0.05 0.00 0.00 55.36 57.30 2wrj s GLN 33 Cb 0.00 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 2wrj s GLN 33 CO 0.00 -0.61 0.71 -1.21 -0.55 0.00 0.00 175.29 173.63 2wrj s GLU 34 N 2.67 3.59 -0.29 1.67 2.02 -1.26 -2.10 118.70 124.99 2wrj s GLU 34 Ca 0.63 0.13 -0.16 0.00 0.02 0.00 0.00 54.97 55.59 2wrj s GLU 34 Cb -0.30 -2.47 0.17 0.00 0.10 0.00 0.00 34.13 31.63 2wrj s GLU 34 CO 0.25 -0.05 1.07 0.50 0.02 0.00 0.00 175.26 177.06 2wrj s ARG 35 N -4.31 0.26 -0.12 1.61 3.52 -0.89 -4.98 118.95 114.04 2wrj s ARG 35 Ca 0.46 0.47 -0.06 0.00 -0.13 0.00 0.00 55.73 56.48 2wrj s ARG 35 Cb -0.10 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 2wrj s ARG 35 CO 0.38 -0.06 0.09 0.14 -0.81 0.00 0.00 175.30 175.04 2wrj s VAL 36 N 1.40 5.06 0.00 7.11 -7.23 -1.25 -1.42 120.40 124.08 2wrj s VAL 36 Ca -0.08 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 2wrj s VAL 36 Cb -0.03 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2wrj s VAL 36 CO -0.14 0.59 0.00 0.18 -0.31 0.00 0.00 175.10 175.43 2wrj n LEU 37 N 2.25 0.00 0.00 1.32 4.77 -0.86 -4.87 117.00 119.60 2wrj n LEU 37 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2wrj n LEU 37 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wrj n LEU 37 CO 0.31 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.58 2wrj n GLU 38 N 0.00 2.78 -2.70 3.23 4.07 -1.26 -1.89 120.64 124.86 2wrj n GLU 38 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2wrj n GLU 38 Cb 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.47 2wrj n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2wrj n ASP 39 N 0.00 -1.92 -5.02 4.31 2.03 -1.26 -3.39 116.55 111.29 2wrj n ASP 39 Ca 0.00 -2.90 -0.19 0.00 0.52 0.00 0.00 54.79 52.23 2wrj n ASP 39 Cb 0.00 1.51 0.04 0.00 -0.72 0.00 0.00 41.12 41.95 2wrj n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wrj s THR 40 N 0.19 2.45 0.37 5.18 -4.23 -1.26 -4.93 115.64 113.40 2wrj s THR 40 Ca 0.20 -1.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.88 2wrj s THR 40 Cb 0.30 -2.45 0.17 0.00 1.34 0.00 0.00 72.50 71.85 2wrj s THR 40 CO -0.09 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.26 2wrj h PRO 41 N 0.35 0.00 0.10 3.99 0.11 -2.01 -2.38 132.00 132.17 2wrj h PRO 41 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2wrj h PRO 41 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wrj h PRO 41 CO 0.42 0.27 -0.05 0.00 -0.21 0.00 0.00 178.00 178.43 2wrj h ALA 42 N 1.73 -0.14 -0.66 -0.75 0.00 -2.00 -2.29 119.26 115.16 2wrj h ALA 42 Ca -0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.78 2wrj h ALA 42 Cb 0.54 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2wrj h ALA 42 CO 0.03 -0.21 0.44 0.82 0.00 0.00 0.00 179.25 180.34 2wrj h ILE 43 N -0.88 0.84 -0.17 0.00 1.08 -1.93 -0.84 117.51 115.61 2wrj h ILE 43 Ca -0.01 -0.13 -0.09 0.00 -0.39 0.00 0.00 64.86 64.24 2wrj h ILE 43 Cb 0.56 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2wrj h ILE 43 CO 0.02 0.07 -0.23 0.03 -0.69 0.00 0.00 178.15 177.36 2wrj h ARG 44 N 0.38 0.46 -0.04 2.37 3.08 -1.47 -3.33 114.38 115.82 2wrj h ARG 44 Ca 0.31 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wrj h ARG 44 Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2wrj h ARG 44 CO -0.09 0.85 -0.03 0.41 -1.07 0.00 0.00 179.97 180.04 2wrj n GLY 45 N 0.28 -0.98 0.29 0.04 0.00 -0.32 -0.43 105.19 104.07 2wrj n GLY 45 Ca -0.06 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wrj h ASN 46 N 0.00 -0.59 -1.39 1.61 4.21 -1.71 -1.91 115.58 115.80 2wrj h ASN 46 Ca 0.01 0.03 0.48 0.00 1.21 0.00 0.00 56.30 58.02 2wrj h ASN 46 Cb 0.02 0.16 -0.14 0.00 -1.12 0.00 0.00 38.32 37.25 2wrj h ASN 46 CO -0.04 -0.40 0.90 0.52 -1.29 0.00 0.00 177.43 177.11 2wrj n VAL 47 N -5.38 -0.24 0.02 2.81 0.31 0.43 0.21 118.33 116.49 2wrj n VAL 47 Ca -0.11 1.77 -0.13 0.00 -0.01 0.00 0.00 64.34 65.86 2wrj n VAL 47 Cb 0.28 -2.91 -0.09 0.00 -0.91 0.00 0.00 33.84 30.21 2wrj n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrj h GLU 48 N 0.00 -0.09 -0.87 5.55 4.39 -0.39 -1.94 114.58 121.23 2wrj h GLU 48 Ca 0.87 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.78 2wrj h GLU 48 Cb 2.85 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 31.46 2wrj h GLU 48 CO -0.44 0.38 0.58 -0.22 -1.16 0.00 0.00 179.01 178.15 2wrj h LYS 49 N -0.60 0.35 -0.48 2.33 3.64 0.30 -0.72 116.57 121.39 2wrj h LYS 49 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wrj h LYS 49 Cb 0.51 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2wrj h LYS 49 CO 0.01 0.23 0.00 1.33 -2.27 0.00 0.00 179.45 178.76 2wrj n VAL 50 N -4.48 1.32 -0.30 2.00 0.24 -0.02 -4.70 118.33 112.39 2wrj n VAL 50 Ca 0.18 -1.15 0.16 0.00 -2.04 0.00 0.00 64.34 61.49 2wrj n VAL 50 Cb 0.70 0.34 0.30 0.00 -1.47 0.00 0.00 33.84 33.71 2wrj n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrj n ALA 51 N 0.74 0.53 1.17 2.33 0.00 -0.28 0.27 120.51 125.27 2wrj n ALA 51 Ca 0.18 0.93 0.05 0.00 0.00 0.00 0.00 53.44 54.59 2wrj n ALA 51 Cb 0.61 -0.72 0.27 0.00 0.00 0.00 0.00 19.45 19.62 2wrj n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wrj n HIS 52 N -5.21 0.00 -0.10 0.00 1.44 -1.26 -2.62 115.22 107.47 2wrj n HIS 52 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 2wrj n HIS 52 Cb 0.75 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.86 2wrj n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wrj n LEU 53 N -0.74 0.13 -4.27 2.39 4.77 0.75 -4.74 117.00 115.29 2wrj n LEU 53 Ca 0.07 -0.35 -0.20 0.00 -0.03 0.00 0.00 56.01 55.50 2wrj n LEU 53 Cb 0.03 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2wrj n LEU 53 CO 0.05 0.03 -0.47 -0.69 -1.33 0.00 0.00 177.39 174.98 2wrj s VAL 54 N -0.43 1.52 -0.34 4.08 1.01 -0.83 -1.41 120.40 124.00 2wrj s VAL 54 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.23 2wrj s VAL 54 Cb 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.85 2wrj s VAL 54 CO 0.00 -0.32 0.07 -0.13 0.00 0.00 0.00 175.10 174.72 2wrj s ARG 55 N -2.54 2.28 0.78 2.72 0.52 -0.62 -4.81 118.95 117.28 2wrj s ARG 55 Ca 0.10 -1.44 -0.08 0.00 -0.52 0.00 0.00 55.73 53.78 2wrj s ARG 55 Cb -0.06 -3.33 0.11 0.00 0.52 0.00 0.00 34.95 32.19 2wrj s ARG 55 CO 0.04 -0.77 1.10 0.08 0.02 0.00 0.00 175.30 175.78 2wrj s VAL 56 N 1.22 2.16 -0.23 3.52 1.01 -1.26 -1.88 120.40 124.94 2wrj s VAL 56 Ca -0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 61.98 61.42 2wrj s VAL 56 Cb -0.21 -2.93 0.16 0.00 0.00 0.00 0.00 36.38 33.41 2wrj s VAL 56 CO -0.02 0.00 1.25 -0.70 0.00 0.00 0.00 175.10 175.63 2wrj s GLU 57 N -5.42 0.24 -0.14 2.72 2.12 -1.16 -4.93 118.70 112.12 2wrj s GLU 57 Ca 0.65 -0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.93 2wrj s GLU 57 Cb -0.08 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2wrj s GLU 57 CO 0.47 -0.09 -0.03 0.08 -0.54 0.00 0.00 175.26 175.15 2wrj s VAL 58 N -1.68 3.98 0.35 3.70 1.01 -1.26 -1.98 120.40 124.53 2wrj s VAL 58 Ca 0.08 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2wrj s VAL 58 Cb -0.01 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2wrj s VAL 58 CO -0.05 0.52 0.24 -0.69 0.00 0.00 0.00 175.10 175.12 2wrj s VAL 59 N 0.08 0.14 0.00 2.92 1.01 -0.98 -4.91 120.40 118.66 2wrj s VAL 59 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2wrj s VAL 59 Cb -0.13 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2wrj s VAL 59 CO 0.03 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.51