#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj h LEU 3 N 0.00 0.71 -0.03 3.14 6.46 -2.07 -1.69 115.31 121.83 2wrj h LEU 3 Ca 0.00 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2wrj h LEU 3 Cb 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2wrj h LEU 3 CO 0.00 0.22 -0.05 0.77 -0.62 0.00 0.00 178.44 178.76 2wrj h SER 4 N 0.70 0.09 -0.98 1.25 4.64 -2.06 -3.08 113.55 114.11 2wrj h SER 4 Ca 0.58 -0.56 0.31 0.00 -0.47 0.00 0.00 61.79 61.64 2wrj h SER 4 Cb 0.94 -0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 62.82 2wrj h SER 4 CO -0.41 0.64 0.20 -0.33 -0.87 0.00 0.00 176.83 176.06 2wrj h GLU 5 N -0.45 0.03 0.50 4.77 5.08 -1.78 0.12 114.58 122.85 2wrj h GLU 5 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2wrj h GLU 5 Cb 0.62 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2wrj h GLU 5 CO 0.01 0.02 -0.26 0.28 -1.00 0.00 0.00 179.01 178.07 2wrj h VAL 6 N 0.03 0.47 -0.21 3.13 2.07 -1.35 -2.36 116.25 118.04 2wrj h VAL 6 Ca 0.67 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.25 2wrj h VAL 6 Cb 1.51 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2wrj h VAL 6 CO -0.85 0.00 0.24 0.03 0.02 0.00 0.00 177.57 177.01 2wrj h ARG 7 N -0.69 0.00 0.46 1.57 3.08 -0.95 -1.10 114.38 116.75 2wrj h ARG 7 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2wrj h ARG 7 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2wrj h ARG 7 CO 0.10 0.00 -0.22 -0.22 -1.07 0.00 0.00 179.97 178.55 2wrj h LYS 8 N 0.00 -0.60 -0.93 0.04 3.64 -1.09 0.24 116.57 117.88 2wrj h LYS 8 Ca 0.10 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.69 2wrj h LYS 8 Cb 0.57 0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 32.36 2wrj h LYS 8 CO -0.00 -0.40 -0.30 1.96 -2.27 0.00 0.00 179.45 178.44 2wrj h GLN 9 N -1.13 -0.01 0.00 1.90 4.20 -0.78 4.22 115.11 123.51 2wrj h GLN 9 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2wrj h GLN 9 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2wrj h GLN 9 CO 0.10 -0.01 0.00 1.28 -0.67 0.00 0.00 178.83 179.53 2wrj n LEU 10 N -5.54 0.00 -0.26 1.46 4.77 -0.51 0.23 117.00 117.15 2wrj n LEU 10 Ca 0.12 0.99 -0.04 0.00 -0.03 0.00 0.00 56.01 57.06 2wrj n LEU 10 Cb 0.44 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2wrj n LEU 10 CO -0.10 -0.49 0.62 -0.33 -1.33 0.00 0.00 177.39 175.76 2wrj h GLU 11 N 0.00 -0.10 -0.43 3.23 5.08 0.12 0.41 114.58 122.89 2wrj h GLU 11 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2wrj h GLU 11 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2wrj h GLU 11 CO 0.00 -0.07 0.29 0.93 -1.00 0.00 0.00 179.01 179.16 2wrj h GLU 12 N -0.11 0.40 0.07 2.33 5.08 0.83 -3.00 114.58 120.19 2wrj h GLU 12 Ca 0.27 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2wrj h GLU 12 Cb 0.57 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2wrj h GLU 12 CO -0.77 0.26 -0.58 0.00 -1.00 0.00 0.00 179.01 176.92 2wrj h ALA 13 N 1.76 -0.01 0.00 3.43 0.00 0.62 -3.28 119.26 121.78 2wrj h ALA 13 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wrj h ALA 13 Cb 0.20 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wrj h ALA 13 CO -0.04 0.29 0.27 0.54 0.00 0.00 0.00 179.25 180.31 2wrj n ARG 14 N -4.31 0.00 -2.59 0.00 5.12 0.11 -1.18 116.66 113.80 2wrj n ARG 14 Ca -0.15 0.24 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 2wrj n ARG 14 Cb 0.69 -1.77 -0.01 0.00 -1.16 0.00 0.00 32.46 30.21 2wrj n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wrj n LYS 15 N -1.24 3.29 0.00 5.56 2.85 -1.22 -4.84 118.16 122.55 2wrj n LYS 15 Ca -0.00 -4.53 0.00 0.00 -1.05 0.00 0.00 58.31 52.73 2wrj n LYS 15 Cb 0.27 -2.21 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 2wrj n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wrj n LEU 16 N -0.41 0.53 -1.46 -5.58 4.77 -0.33 -5.03 117.00 109.49 2wrj n LEU 16 Ca 0.36 -0.53 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2wrj n LEU 16 Cb 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2wrj n LEU 16 CO 0.33 0.13 -0.59 -1.54 -1.33 0.00 0.00 177.39 174.39 2wrj n SER 17 N -0.06 -7.91 0.00 -1.43 3.41 -1.26 -4.12 113.62 102.25 2wrj n SER 17 Ca 0.00 1.57 0.00 0.00 -0.26 0.00 0.00 58.87 60.18 2wrj n SER 17 Cb 0.21 -4.94 0.00 0.00 -0.26 0.00 0.00 64.21 59.23 2wrj n SER 17 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wrj n PRO 18 N -3.80 0.00 0.00 4.33 -0.04 -1.26 -3.57 135.00 130.66 2wrj n PRO 18 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2wrj n PRO 18 Cb 0.62 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2wrj n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wrj n VAL 19 N 0.00 0.00 0.00 0.52 0.31 -1.26 -1.92 118.33 115.98 2wrj n VAL 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wrj n VAL 19 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wrj n VAL 19 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wrj n GLU 20 N -1.80 0.00 0.00 5.55 4.07 -1.24 -2.83 120.64 124.39 2wrj n GLU 20 Ca 0.00 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2wrj n GLU 20 Cb 0.00 -0.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 2wrj n GLU 20 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2wrj n LEU 21 N -0.24 0.00 0.01 4.31 4.77 -0.81 0.11 117.00 125.16 2wrj n LEU 21 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2wrj n LEU 21 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2wrj n LEU 21 CO 0.00 0.00 0.50 -0.33 -1.33 0.00 0.00 177.39 176.23 2wrj h GLU 22 N 0.00 -0.22 -1.01 3.23 5.08 -1.67 0.50 114.58 120.49 2wrj h GLU 22 Ca 0.00 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.67 2wrj h GLU 22 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2wrj h GLU 22 CO 0.00 -0.14 1.07 0.87 -1.00 0.00 0.00 179.01 179.81 2wrj h LYS 23 N -0.23 0.00 0.10 2.33 1.57 0.85 0.88 116.57 122.09 2wrj h LYS 23 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2wrj h LYS 23 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wrj h LYS 23 CO -0.14 0.00 -0.05 1.25 -0.57 0.00 0.00 179.45 179.94 2wrj h LEU 24 N 0.00 -0.12 -1.08 2.94 6.46 0.24 -3.31 115.31 120.44 2wrj h LEU 24 Ca 0.48 0.00 0.19 0.00 -0.12 0.00 0.00 57.88 58.43 2wrj h LEU 24 Cb 2.62 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 42.48 2wrj h LEU 24 CO -0.01 0.21 0.61 0.58 -0.62 0.00 0.00 178.44 179.22 2wrj h VAL 25 N -0.73 0.71 0.00 1.05 2.07 0.34 0.67 116.25 120.35 2wrj h VAL 25 Ca -0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2wrj h VAL 25 Cb 0.11 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2wrj h VAL 25 CO 0.02 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.29 2wrj n ARG 26 N -4.72 0.00 0.00 1.57 1.74 0.26 -0.54 116.66 114.97 2wrj n ARG 26 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2wrj n ARG 26 Cb 0.58 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 2wrj n ARG 26 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wrj n GLU 27 N -0.30 0.00 -0.30 5.56 1.02 0.23 -4.37 120.64 122.48 2wrj n GLU 27 Ca 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.34 2wrj n GLU 27 Cb 0.00 -0.56 0.48 0.00 -0.02 0.00 0.00 31.44 31.34 2wrj n GLU 27 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wrj h LYS 28 N 0.00 0.45 0.09 3.49 1.79 -0.23 0.50 116.57 122.66 2wrj h LYS 28 Ca 0.00 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2wrj h LYS 28 Cb 0.42 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2wrj h LYS 28 CO 0.00 0.30 -0.04 0.87 -1.08 0.00 0.00 179.45 179.50 2wrj h LYS 29 N 0.46 -0.11 -0.88 3.15 1.79 -1.39 -1.64 116.57 117.95 2wrj h LYS 29 Ca 0.55 0.01 0.35 0.00 -2.18 0.00 0.00 60.65 59.37 2wrj h LYS 29 Cb 1.28 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.82 2wrj h LYS 29 CO -0.26 -0.08 0.51 2.89 -1.08 0.00 0.00 179.45 181.43 2wrj n ARG 30 N -2.39 -0.04 0.27 3.15 1.85 -0.16 0.14 116.66 119.48 2wrj n ARG 30 Ca -0.01 1.07 -0.11 0.00 -1.00 0.00 0.00 57.85 57.80 2wrj n ARG 30 Cb 0.05 -1.97 -0.05 0.00 -1.05 0.00 0.00 32.46 29.44 2wrj n ARG 30 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wrj h GLU 31 N 0.00 -0.67 -0.64 2.89 5.08 0.06 -2.29 114.58 119.01 2wrj h GLU 31 Ca 0.68 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 59.17 2wrj h GLU 31 Cb 1.92 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 31.22 2wrj h GLU 31 CO -0.54 -0.45 -0.50 1.25 -1.00 0.00 0.00 179.01 177.76 2wrj h LEU 32 N -0.90 -1.75 -0.51 1.33 6.46 0.22 1.92 115.31 122.08 2wrj h LEU 32 Ca -0.07 0.27 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 2wrj h LEU 32 Cb 0.54 0.77 -0.10 0.00 -0.73 0.00 0.00 40.66 41.13 2wrj h LEU 32 CO 0.12 -0.33 -0.28 -0.03 -0.62 0.00 0.00 178.44 177.30 2wrj h MET 33 N -0.22 -0.15 -0.73 1.25 4.05 -1.04 1.35 114.93 119.44 2wrj h MET 33 Ca 0.15 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2wrj h MET 33 Cb 0.55 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 2wrj h MET 33 CO -0.73 -0.10 0.45 1.49 0.23 0.00 0.00 176.91 178.25 2wrj h GLU 34 N -0.16 0.99 0.76 0.39 4.57 0.04 0.25 114.58 121.41 2wrj h GLU 34 Ca 0.22 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2wrj h GLU 34 Cb 0.52 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2wrj h GLU 34 CO -0.60 0.68 -0.36 1.25 -1.18 0.00 0.00 179.01 178.80 2wrj h LEU 35 N 1.01 -0.86 -1.09 1.64 6.46 0.83 -3.09 115.31 120.20 2wrj h LEU 35 Ca 0.27 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 2wrj h LEU 35 Cb -0.06 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 2wrj h LEU 35 CO -0.05 -0.53 0.26 0.08 -0.62 0.00 0.00 178.44 177.59 2wrj h ARG 36 N -1.18 0.91 -1.00 1.25 0.11 0.17 -0.91 114.38 113.73 2wrj h ARG 36 Ca -0.10 -0.14 0.15 0.00 0.10 0.00 0.00 59.98 59.98 2wrj h ARG 36 Cb 0.80 -0.16 -0.16 0.00 1.11 0.00 0.00 29.97 31.56 2wrj h ARG 36 CO 0.17 0.74 -0.41 1.19 0.10 0.00 0.00 179.97 181.75 2wrj n PHE 37 N -4.32 -0.02 0.06 4.08 3.01 0.86 -0.17 117.46 120.95 2wrj n PHE 37 Ca 0.06 1.23 -0.04 0.00 1.01 0.00 0.00 57.45 59.71 2wrj n PHE 37 Cb 0.16 -0.84 -0.08 0.00 -0.01 0.00 0.00 39.48 38.71 2wrj n PHE 37 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2wrj h GLN 38 N 0.00 0.00 0.00 -1.08 3.07 -1.52 -3.25 115.11 112.34 2wrj h GLN 38 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 2wrj h GLN 38 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 2wrj h GLN 38 CO -0.98 0.63 0.02 0.00 0.09 0.00 0.00 178.83 178.59 2wrj n ALA 39 N -2.37 1.15 -0.32 0.06 0.00 0.76 0.92 120.51 120.71 2wrj n ALA 39 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wrj n ALA 39 Cb 0.89 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2wrj n ALA 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wrj n SER 40 N -1.06 0.56 -1.72 0.00 3.41 -0.81 -4.69 113.62 109.31 2wrj n SER 40 Ca 0.00 -0.92 -0.13 0.00 -0.26 0.00 0.00 58.87 57.56 2wrj n SER 40 Cb 0.02 0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.11 2wrj n SER 40 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2wrj n ILE 41 N -0.08 2.37 0.00 -1.33 -5.35 0.26 -4.93 119.36 110.31 2wrj n ILE 41 Ca 0.00 -1.23 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 2wrj n ILE 41 Cb 0.08 -1.05 0.00 0.00 -1.74 0.00 0.00 39.64 36.93 2wrj n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrj n GLY 42 N 0.08 1.35 0.00 3.28 0.00 -1.26 -4.73 105.19 103.92 2wrj n GLY 42 Ca 0.28 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2wrj n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrj n GLN 43 N 0.00 -0.39 -3.55 1.61 6.02 -1.26 -4.58 117.38 115.22 2wrj n GLN 43 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2wrj n GLN 43 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 2wrj n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wrj n LEU 44 N 0.00 -2.31 -3.64 1.08 4.77 -1.26 -4.67 117.00 110.97 2wrj n LEU 44 Ca 0.00 -0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 55.61 2wrj n LEU 44 Cb 0.00 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.45 2wrj n LEU 44 CO 0.00 0.09 0.92 -0.94 -1.33 0.00 0.00 177.39 176.13 2wrj s SER 45 N -1.73 -0.26 -0.24 -1.43 1.04 -1.26 -3.73 113.70 106.08 2wrj s SER 45 Ca 0.31 0.48 -0.03 0.00 0.48 0.00 0.00 55.95 57.20 2wrj s SER 45 Cb -0.03 0.63 0.11 0.00 0.10 0.00 0.00 66.02 66.83 2wrj s SER 45 CO 0.88 -0.08 0.23 -1.10 0.98 0.00 0.00 173.24 174.14 2wrj s GLN 46 N 0.37 0.23 0.00 4.02 -1.52 -1.26 -5.08 119.66 116.43 2wrj s GLN 46 Ca 0.02 -0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 2wrj s GLN 46 Cb -0.05 -1.03 0.00 0.00 -0.22 0.00 0.00 33.01 31.71 2wrj s GLN 46 CO -0.11 -0.84 0.00 0.09 -0.25 0.00 0.00 175.29 174.18 2wrj n ASN 47 N 5.31 0.00 0.00 5.90 4.13 -1.26 -3.16 115.26 126.17 2wrj n ASN 47 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2wrj n ASN 47 Cb 0.47 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 2wrj n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wrj n HIS 48 N 0.00 0.00 -0.23 3.10 1.44 -1.26 -1.72 115.22 116.55 2wrj n HIS 48 Ca 0.00 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.90 2wrj n HIS 48 Cb 0.00 -0.19 0.32 0.00 0.12 0.00 0.00 29.99 30.24 2wrj n HIS 48 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2wrj n LYS 49 N -1.52 -0.01 -0.06 -1.40 4.76 -1.19 -1.50 118.16 117.23 2wrj n LYS 49 Ca 0.00 0.56 -0.04 0.00 -2.87 0.00 0.00 58.31 55.97 2wrj n LYS 49 Cb 0.00 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 2wrj n LYS 49 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2wrj h ILE 50 N 0.00 0.13 0.00 -0.18 2.04 -1.57 -2.72 117.51 115.22 2wrj h ILE 50 Ca 0.41 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2wrj h ILE 50 Cb 1.36 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2wrj h ILE 50 CO -0.18 0.05 0.00 -2.11 0.00 0.00 0.00 178.15 175.90 2wrj n ARG 51 N -4.69 0.39 0.06 2.37 1.85 -0.56 -1.59 116.66 114.50 2wrj n ARG 51 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2wrj n ARG 51 Cb 0.17 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 2wrj n ARG 51 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2wrj n ASP 52 N 1.21 0.03 -0.24 2.89 -0.08 -1.17 -4.68 116.55 114.52 2wrj n ASP 52 Ca 0.00 0.20 0.17 0.00 -1.51 0.00 0.00 54.79 53.64 2wrj n ASP 52 Cb 0.20 0.12 0.48 0.00 2.34 0.00 0.00 41.12 44.26 2wrj n ASP 52 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2wrj h LEU 53 N 0.00 0.47 0.24 -2.67 6.46 -1.07 0.75 115.31 119.48 2wrj h LEU 53 Ca 0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2wrj h LEU 53 Cb 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2wrj h LEU 53 CO 0.00 0.21 -0.11 0.11 -0.62 0.00 0.00 178.44 178.03 2wrj h LYS 54 N 0.48 -0.30 0.00 1.25 1.57 -1.57 -2.74 116.57 115.26 2wrj h LYS 54 Ca 0.45 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2wrj h LYS 54 Cb 1.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2wrj h LYS 54 CO -0.18 -0.07 0.26 0.00 -0.57 0.00 0.00 179.45 178.89 2wrj h ARG 55 N -0.50 0.00 0.14 3.15 3.08 -1.10 0.49 114.38 119.64 2wrj h ARG 55 Ca -0.03 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.68 2wrj h ARG 55 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wrj h ARG 55 CO 0.05 0.00 -1.71 1.96 -1.07 0.00 0.00 179.97 179.21 2wrj h GLN 56 N 0.00 0.30 -0.58 0.04 4.20 -1.12 -3.00 115.11 114.96 2wrj h GLN 56 Ca 0.00 -0.52 0.10 0.00 0.06 0.00 0.00 58.65 58.30 2wrj h GLN 56 Cb 0.52 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 2wrj h GLN 56 CO 0.00 1.18 0.39 0.82 -0.67 0.00 0.00 178.83 180.55 2wrj h ILE 57 N 0.08 0.87 0.00 2.54 1.08 -0.75 -0.83 117.51 120.51 2wrj h ILE 57 Ca -0.32 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2wrj h ILE 57 Cb 2.06 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 2wrj h ILE 57 CO 0.15 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.68 2wrj n ALA 58 N -2.53 -0.03 -0.26 1.87 0.00 -0.99 -1.79 120.51 116.77 2wrj n ALA 58 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 58 Cb 0.40 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 2wrj n ALA 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2wrj h ARG 59 N 0.00 -0.10 -1.35 0.00 0.11 -1.35 1.87 114.38 113.56 2wrj h ARG 59 Ca 0.00 0.01 0.45 0.00 0.10 0.00 0.00 59.98 60.54 2wrj h ARG 59 Cb 0.00 0.02 -0.13 0.00 1.11 0.00 0.00 29.97 30.97 2wrj h ARG 59 CO 0.00 -0.07 0.87 -0.07 0.10 0.00 0.00 179.97 180.80 2wrj h LEU 60 N -0.10 0.23 0.14 0.08 3.38 -1.26 1.18 115.31 118.95 2wrj h LEU 60 Ca 0.10 0.14 -0.33 0.00 0.09 0.00 0.00 57.88 57.88 2wrj h LEU 60 Cb 0.37 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2wrj h LEU 60 CO -0.65 -0.20 -1.67 -0.07 0.09 0.00 0.00 178.44 175.94 2wrj h LEU 61 N 0.06 0.47 -1.00 1.67 3.38 0.24 -1.08 115.31 119.04 2wrj h LEU 61 Ca 0.84 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2wrj h LEU 61 Cb 2.67 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 43.20 2wrj h LEU 61 CO -0.42 1.61 0.66 0.74 0.09 0.00 0.00 178.44 181.11 2wrj h THR 62 N 0.08 1.17 0.20 0.22 2.02 1.07 -0.84 112.91 116.83 2wrj h THR 62 Ca -0.30 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2wrj h THR 62 Cb 2.05 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2wrj h THR 62 CO 0.16 0.23 -0.10 0.58 0.37 0.00 0.00 175.52 176.76 2wrj h VAL 63 N 1.26 0.83 -1.36 3.16 2.07 -0.08 -2.58 116.25 119.56 2wrj h VAL 63 Ca 0.40 -0.94 0.46 0.00 0.82 0.00 0.00 66.70 67.44 2wrj h VAL 63 Cb 0.02 1.33 -0.12 0.00 -1.52 0.00 0.00 31.29 30.99 2wrj h VAL 63 CO -0.13 0.19 0.89 -0.11 0.02 0.00 0.00 177.57 178.43 2wrj n LEU 64 N -4.99 0.17 -0.00 2.57 -0.00 -0.41 0.46 117.00 114.80 2wrj n LEU 64 Ca -0.08 1.25 -0.21 0.00 -0.00 0.00 0.00 56.01 56.96 2wrj n LEU 64 Cb 0.26 -0.61 -0.14 0.00 -0.00 0.00 0.00 43.42 42.93 2wrj n LEU 64 CO 0.28 -1.34 -0.33 0.78 -0.00 0.00 0.00 177.39 176.77 2wrj h ASN 65 N 0.00 0.33 0.17 1.96 4.21 -1.12 -0.24 115.58 120.88 2wrj h ASN 65 Ca 0.83 -0.84 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 2wrj h ASN 65 Cb 2.76 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 39.85 2wrj h ASN 65 CO -0.38 1.54 -0.09 1.05 -1.29 0.00 0.00 177.43 178.26 2wrj h GLU 66 N -0.42 0.00 0.30 0.81 4.11 -0.19 -1.88 114.58 117.31 2wrj h GLU 66 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2wrj h GLU 66 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2wrj h GLU 66 CO 0.04 0.09 -0.14 0.87 0.07 0.00 0.00 179.01 179.93 2wrj h LYS 67 N 0.00 -0.38 0.00 1.06 1.79 -0.07 -3.00 116.57 115.96 2wrj h LYS 67 Ca -0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2wrj h LYS 67 Cb 0.20 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2wrj h LYS 67 CO 0.01 -0.25 0.60 -2.13 -1.08 0.00 0.00 179.45 176.60 2wrj n ARG 68 N -5.04 0.04 0.00 3.15 0.63 -0.10 -2.12 116.66 113.22 2wrj n ARG 68 Ca -0.05 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2wrj n ARG 68 Cb 0.16 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 30.85 2wrj n ARG 68 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2wrj n ARG 69 N -1.84 0.00 -1.98 -0.14 1.85 -0.78 -5.05 116.66 108.73 2wrj n ARG 69 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2wrj n ARG 69 Cb 0.60 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 2wrj n ARG 69 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2wrj n GLN 70 N -2.22 -3.77 0.00 2.89 6.02 -0.90 -5.00 117.38 114.40 2wrj n GLN 70 Ca 0.00 2.87 0.00 0.00 -0.01 0.00 0.00 57.00 59.86 2wrj n GLN 70 Cb 0.00 -3.56 0.00 0.00 1.02 0.00 0.00 30.24 27.70 2wrj n GLN 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wrj n ASN 71 N 1.33 2.57 0.00 1.08 3.02 -1.26 -5.14 115.26 116.85 2wrj n ASN 71 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2wrj n ASN 71 Cb 0.00 0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2wrj n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64