#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n LEU 3 N 0.00 0.12 0.00 3.14 0.00 -1.26 -1.82 117.00 117.18 2wrl n LEU 3 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 56.01 57.19 2wrl n LEU 3 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 43.42 42.84 2wrl n LEU 3 CO 0.00 -1.24 0.15 -1.54 0.00 0.00 0.00 177.39 174.76 2wrl n SER 4 N -4.30 0.00 -0.16 1.96 3.41 -1.26 -3.28 113.62 109.99 2wrl n SER 4 Ca 0.41 0.31 0.15 0.00 -0.26 0.00 0.00 58.87 59.47 2wrl n SER 4 Cb 1.70 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 65.91 2wrl n SER 4 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wrl n GLU 5 N -0.37 -0.02 0.25 4.33 1.02 -0.75 0.15 120.64 125.24 2wrl n GLU 5 Ca 0.00 0.56 0.11 0.00 -0.02 0.00 0.00 57.16 57.81 2wrl n GLU 5 Cb 0.00 -1.04 0.58 0.00 -0.02 0.00 0.00 31.44 30.96 2wrl n GLU 5 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wrl h VAL 6 N 0.00 0.00 0.00 2.62 2.07 -1.45 -0.16 116.25 119.33 2wrl h VAL 6 Ca 0.36 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.52 2wrl h VAL 6 Cb 1.03 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 2wrl h VAL 6 CO -0.28 0.00 -2.31 0.54 0.02 0.00 0.00 177.57 175.54 2wrl n ARG 7 N -2.48 0.68 0.14 1.57 1.74 0.39 -4.02 116.66 114.68 2wrl n ARG 7 Ca -0.01 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2wrl n ARG 7 Cb 0.36 -1.55 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 2wrl n ARG 7 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wrl h LYS 8 N 0.00 -0.38 -1.15 5.56 3.64 -1.18 -0.04 116.57 123.01 2wrl h LYS 8 Ca -0.52 0.03 0.40 0.00 -1.27 0.00 0.00 60.65 59.29 2wrl h LYS 8 Cb 2.22 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 33.98 2wrl h LYS 8 CO 0.04 -0.04 0.70 1.96 -2.27 0.00 0.00 179.45 179.83 2wrl h GLN 9 N -0.83 0.12 0.11 1.90 4.20 -1.50 1.42 115.11 120.53 2wrl h GLN 9 Ca -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2wrl h GLN 9 Cb 0.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2wrl h GLN 9 CO 0.07 0.08 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.19 2wrl h LEU 10 N 0.13 -0.12 -0.78 1.46 3.38 -1.61 -2.50 115.31 115.27 2wrl h LEU 10 Ca 0.80 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2wrl h LEU 10 Cb 2.25 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 43.00 2wrl h LEU 10 CO -0.55 0.37 0.42 -0.33 0.09 0.00 0.00 178.44 178.43 2wrl h GLU 11 N -0.66 1.09 0.04 1.13 5.08 0.19 -0.47 114.58 120.99 2wrl h GLU 11 Ca -0.01 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2wrl h GLU 11 Cb 0.51 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2wrl h GLU 11 CO 0.02 0.81 -0.24 0.93 -1.00 0.00 0.00 179.01 179.54 2wrl h GLU 12 N 1.08 -0.32 0.44 2.33 5.08 0.16 -3.08 114.58 120.27 2wrl h GLU 12 Ca 0.27 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2wrl h GLU 12 Cb 0.04 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2wrl h GLU 12 CO -0.04 -0.21 -0.22 0.00 -1.00 0.00 0.00 179.01 177.54 2wrl h ALA 13 N -1.09 -0.60 -0.72 3.43 0.00 -1.42 -3.02 119.26 115.83 2wrl h ALA 13 Ca -0.00 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.07 2wrl h ALA 13 Cb 0.33 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 2wrl h ALA 13 CO -0.13 -0.84 0.41 0.54 0.00 0.00 0.00 179.25 179.22 2wrl n ARG 14 N -5.35 -0.04 -2.16 0.00 5.12 -0.19 0.20 116.66 114.24 2wrl n ARG 14 Ca -0.11 0.93 -0.33 0.00 -1.93 0.00 0.00 57.85 56.41 2wrl n ARG 14 Cb 0.26 -1.69 0.02 0.00 -1.16 0.00 0.00 32.46 29.89 2wrl n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wrl n LYS 15 N -4.47 3.12 0.00 5.56 2.85 -1.14 -4.66 118.16 119.42 2wrl n LYS 15 Ca 0.26 -4.02 0.00 0.00 -1.05 0.00 0.00 58.31 53.51 2wrl n LYS 15 Cb 0.91 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 2wrl n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wrl n LEU 16 N -0.54 0.69 -0.44 -5.58 4.77 0.13 -5.03 117.00 111.00 2wrl n LEU 16 Ca 0.47 -0.69 0.05 0.00 -0.03 0.00 0.00 56.01 55.81 2wrl n LEU 16 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2wrl n LEU 16 CO 0.43 0.17 -0.19 -1.54 -1.33 0.00 0.00 177.39 174.93 2wrl n SER 17 N -0.04 -2.43 0.06 -1.43 3.41 -1.26 -4.31 113.62 107.62 2wrl n SER 17 Ca 0.00 0.43 -0.03 0.00 -0.26 0.00 0.00 58.87 59.02 2wrl n SER 17 Cb 0.13 -1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 62.56 2wrl n SER 17 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wrl h PRO 18 N -0.43 -0.16 -1.44 4.33 0.13 -1.98 -3.08 132.00 129.36 2wrl h PRO 18 Ca -0.06 0.01 0.42 0.00 -0.87 0.00 0.00 66.00 65.50 2wrl h PRO 18 Cb 0.42 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 2wrl h PRO 18 CO 0.02 -0.11 1.03 0.28 -0.23 0.00 0.00 178.00 179.00 2wrl h VAL 19 N -0.21 0.28 0.00 1.56 2.07 -2.01 -1.41 116.25 116.53 2wrl h VAL 19 Ca -0.02 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2wrl h VAL 19 Cb 0.13 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2wrl h VAL 19 CO 0.03 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.83 2wrl n GLU 20 N -4.12 0.00 -0.32 1.57 4.07 -1.23 -3.24 120.64 117.37 2wrl n GLU 20 Ca 0.32 0.30 0.02 0.00 -0.06 0.00 0.00 57.16 57.74 2wrl n GLU 20 Cb 1.49 -1.28 0.08 0.00 -0.06 0.00 0.00 31.44 31.66 2wrl n GLU 20 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2wrl n LEU 21 N -1.40 -0.44 -0.34 4.31 4.77 -0.56 -0.09 117.00 123.25 2wrl n LEU 21 Ca 0.00 1.51 0.13 0.00 -0.03 0.00 0.00 56.01 57.61 2wrl n LEU 21 Cb 0.00 -0.40 0.32 0.00 -2.33 0.00 0.00 43.42 41.01 2wrl n LEU 21 CO 0.00 -1.40 1.17 -0.33 -1.33 0.00 0.00 177.39 175.50 2wrl h GLU 22 N 0.00 0.68 0.00 3.23 5.08 -1.56 0.50 114.58 122.51 2wrl h GLU 22 Ca 0.36 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2wrl h GLU 22 Cb 0.58 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2wrl h GLU 22 CO -0.88 0.45 -0.27 0.87 -1.00 0.00 0.00 179.01 178.18 2wrl h LYS 23 N 0.70 0.00 0.34 2.33 1.57 -0.47 -2.95 116.57 118.08 2wrl h LYS 23 Ca 0.57 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.34 2wrl h LYS 23 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2wrl h LYS 23 CO -0.40 0.27 -0.16 1.25 -0.57 0.00 0.00 179.45 179.83 2wrl h LEU 24 N 0.00 -0.39 -0.73 2.94 6.46 0.53 -3.28 115.31 120.85 2wrl h LEU 24 Ca -0.00 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 2wrl h LEU 24 Cb 1.14 0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 41.04 2wrl h LEU 24 CO 0.03 -0.17 -0.35 0.58 -0.62 0.00 0.00 178.44 177.92 2wrl h VAL 25 N -0.67 0.12 -0.99 1.05 2.07 -0.68 0.13 116.25 117.27 2wrl h VAL 25 Ca -0.05 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.85 2wrl h VAL 25 Cb 0.35 0.12 -0.18 0.00 -1.52 0.00 0.00 31.29 30.06 2wrl h VAL 25 CO 0.08 0.00 0.43 0.03 0.02 0.00 0.00 177.57 178.12 2wrl h ARG 26 N -0.10 0.04 0.39 1.57 3.08 -1.61 0.96 114.38 118.71 2wrl h ARG 26 Ca 0.27 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2wrl h ARG 26 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2wrl h ARG 26 CO -0.79 0.03 -0.19 0.93 -1.07 0.00 0.00 179.97 178.88 2wrl h GLU 27 N 0.04 -0.51 -1.45 0.04 5.08 -0.80 -2.69 114.58 114.29 2wrl h GLU 27 Ca 0.78 0.03 0.47 0.00 -1.00 0.00 0.00 59.36 59.65 2wrl h GLU 27 Cb 1.94 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 31.19 2wrl h GLU 27 CO -0.78 -0.34 0.97 1.63 -1.00 0.00 0.00 179.01 179.49 2wrl n LYS 28 N -4.37 -0.02 -0.04 2.33 4.76 0.13 0.21 118.16 121.16 2wrl n LYS 28 Ca -0.07 1.13 -0.14 0.00 -2.87 0.00 0.00 58.31 56.37 2wrl n LYS 28 Cb 0.21 -2.33 -0.09 0.00 -1.84 0.00 0.00 35.03 30.98 2wrl n LYS 28 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2wrl h LYS 29 N 0.00 0.33 -0.83 1.97 1.57 -0.91 0.68 116.57 119.38 2wrl h LYS 29 Ca 0.84 -0.24 0.13 0.00 -1.87 0.00 0.00 60.65 59.52 2wrl h LYS 29 Cb 2.91 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 35.20 2wrl h LYS 29 CO -0.32 0.86 0.54 -0.09 -0.57 0.00 0.00 179.45 179.87 2wrl h ARG 30 N -0.13 0.62 0.39 3.15 2.43 0.28 1.06 114.38 122.17 2wrl h ARG 30 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2wrl h ARG 30 Cb 0.88 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2wrl h ARG 30 CO 0.06 0.41 -0.19 0.93 -1.51 0.00 0.00 179.97 179.67 2wrl h GLU 31 N 0.64 -0.51 -1.36 0.20 5.08 -0.87 1.93 114.58 119.69 2wrl h GLU 31 Ca 0.41 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 59.20 2wrl h GLU 31 Cb 0.67 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 2wrl h GLU 31 CO -0.17 -0.34 0.95 1.25 -1.00 0.00 0.00 179.01 179.71 2wrl h LEU 32 N -0.53 0.10 0.19 1.33 6.46 0.11 1.07 115.31 124.05 2wrl h LEU 32 Ca -0.05 0.03 -0.33 0.00 -0.12 0.00 0.00 57.88 57.41 2wrl h LEU 32 Cb 0.40 0.02 0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2wrl h LEU 32 CO 0.09 -0.02 -1.57 -0.03 -0.62 0.00 0.00 178.44 176.29 2wrl h MET 33 N 0.07 0.41 0.00 1.25 4.05 0.15 -3.08 114.93 117.78 2wrl h MET 33 Ca 0.69 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2wrl h MET 33 Cb 2.53 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.59 2wrl h MET 33 CO -0.11 1.33 0.00 1.49 0.23 0.00 0.00 176.91 179.85 2wrl h GLU 34 N 0.02 0.00 0.00 0.39 4.57 1.04 -1.27 114.58 119.34 2wrl h GLU 34 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2wrl h GLU 34 Cb 2.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.63 2wrl h GLU 34 CO 0.18 0.00 -0.14 1.25 -1.18 0.00 0.00 179.01 179.13 2wrl h LEU 35 N 0.00 0.00 -1.65 1.64 6.46 0.49 -3.37 115.31 118.88 2wrl h LEU 35 Ca 0.00 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 57.97 2wrl h LEU 35 Cb 0.37 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.25 2wrl h LEU 35 CO 0.00 0.26 0.58 0.08 -0.62 0.00 0.00 178.44 178.74 2wrl h ARG 36 N -0.38 0.28 0.00 1.25 0.11 -1.59 0.65 114.38 114.70 2wrl h ARG 36 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2wrl h ARG 36 Cb 0.14 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2wrl h ARG 36 CO 0.00 0.19 0.29 0.35 0.10 0.00 0.00 179.97 180.89 2wrl h PHE 37 N 0.29 0.00 0.00 4.08 -0.00 -1.39 0.24 116.94 120.16 2wrl h PHE 37 Ca 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.40 2wrl h PHE 37 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.19 2wrl h PHE 37 CO -0.00 0.00 -1.05 0.00 -0.00 0.00 0.00 178.31 177.26 2wrl n GLN 38 N -2.84 0.26 0.28 1.11 10.64 0.18 -4.16 117.38 122.84 2wrl n GLN 38 Ca -0.02 -0.01 0.11 0.00 -1.83 0.00 0.00 57.00 55.25 2wrl n GLN 38 Cb 0.33 -1.03 0.76 0.00 -0.86 0.00 0.00 30.24 29.45 2wrl n GLN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2wrl h ALA 39 N 0.10 1.80 0.00 2.61 0.00 0.29 -0.26 119.26 123.79 2wrl h ALA 39 Ca -0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2wrl h ALA 39 Cb 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2wrl h ALA 39 CO 0.00 0.00 -1.54 -1.13 0.00 0.00 0.00 179.25 176.58 2wrl n SER 40 N -4.24 0.78 -0.57 0.00 3.41 0.23 -3.81 113.62 109.41 2wrl n SER 40 Ca -0.03 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2wrl n SER 40 Cb 0.09 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2wrl n SER 40 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2wrl n ILE 41 N -2.88 0.06 0.00 -1.33 -5.35 -0.11 -4.86 119.36 104.90 2wrl n ILE 41 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2wrl n ILE 41 Cb 0.88 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2wrl n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrl n GLY 42 N 0.35 1.41 3.27 3.28 0.00 -1.22 -4.84 105.19 107.44 2wrl n GLY 42 Ca 0.00 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2wrl n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrl n GLN 43 N 0.00 -0.78 -2.84 1.61 6.02 -1.26 -4.21 117.38 115.93 2wrl n GLN 43 Ca 0.00 -0.20 -0.03 0.00 -0.01 0.00 0.00 57.00 56.76 2wrl n GLN 43 Cb 0.00 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.65 2wrl n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wrl n LEU 44 N -0.48 -6.84 -3.63 1.08 4.77 -1.26 -4.71 117.00 105.93 2wrl n LEU 44 Ca 0.02 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2wrl n LEU 44 Cb 0.60 -3.15 -0.06 0.00 -2.33 0.00 0.00 43.42 38.48 2wrl n LEU 44 CO 0.51 -1.52 0.97 -0.94 -1.33 0.00 0.00 177.39 175.08 2wrl s SER 45 N -2.72 -0.21 -0.22 -1.43 1.04 -1.26 -4.02 113.70 104.87 2wrl s SER 45 Ca 0.10 0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 2wrl s SER 45 Cb -0.03 0.29 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2wrl s SER 45 CO 0.69 -0.14 0.47 -1.10 0.98 0.00 0.00 173.24 174.15 2wrl s GLN 46 N -0.53 0.38 0.00 4.02 -1.52 -1.26 -5.11 119.66 115.65 2wrl s GLN 46 Ca 0.04 1.12 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 2wrl s GLN 46 Cb -0.03 0.44 0.00 0.00 -0.22 0.00 0.00 33.01 33.21 2wrl s GLN 46 CO -0.07 -0.24 0.00 0.09 -0.25 0.00 0.00 175.29 174.82 2wrl n ASN 47 N 5.37 0.00 0.00 5.90 4.13 -1.26 -3.05 115.26 126.35 2wrl n ASN 47 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2wrl n ASN 47 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 2wrl n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wrl n HIS 48 N 0.00 0.00 -0.04 3.10 1.44 -1.26 -1.77 115.22 116.68 2wrl n HIS 48 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 2wrl n HIS 48 Cb 0.00 -0.16 0.05 0.00 0.12 0.00 0.00 29.99 30.01 2wrl n HIS 48 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2wrl n LYS 49 N -1.69 -0.01 0.01 -1.40 4.76 -1.17 -0.15 118.16 118.49 2wrl n LYS 49 Ca 0.00 0.19 -0.01 0.00 -2.87 0.00 0.00 58.31 55.61 2wrl n LYS 49 Cb 0.00 -0.31 -0.01 0.00 -1.84 0.00 0.00 35.03 32.87 2wrl n LYS 49 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2wrl h ILE 50 N 0.00 0.00 0.00 -0.18 2.04 -1.54 -2.54 117.51 115.29 2wrl h ILE 50 Ca 0.09 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2wrl h ILE 50 Cb 0.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2wrl h ILE 50 CO -0.11 0.00 0.29 -2.11 0.00 0.00 0.00 178.15 176.22 2wrl n ARG 51 N -4.07 0.04 -0.03 2.37 1.85 0.78 -1.47 116.66 116.13 2wrl n ARG 51 Ca -0.01 0.43 -0.02 0.00 -1.00 0.00 0.00 57.85 57.24 2wrl n ARG 51 Cb 0.04 -1.93 -0.01 0.00 -1.05 0.00 0.00 32.46 29.51 2wrl n ARG 51 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2wrl n ASP 52 N -1.67 0.70 -0.23 2.89 8.00 -0.58 -2.69 116.55 122.96 2wrl n ASP 52 Ca -0.00 0.37 0.20 0.00 0.71 0.00 0.00 54.79 56.07 2wrl n ASP 52 Cb 0.30 -0.64 0.36 0.00 -0.02 0.00 0.00 41.12 41.12 2wrl n ASP 52 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2wrl n LEU 53 N -3.17 0.17 0.06 0.64 0.00 -0.54 0.12 117.00 114.28 2wrl n LEU 53 Ca -0.03 1.17 -0.03 0.00 0.00 0.00 0.00 56.01 57.12 2wrl n LEU 53 Cb 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 43.42 42.98 2wrl n LEU 53 CO 0.04 -1.28 0.24 0.11 0.00 0.00 0.00 177.39 176.50 2wrl h LYS 54 N 0.00 -0.18 -0.06 1.96 1.57 -1.49 -2.96 116.57 115.42 2wrl h LYS 54 Ca 0.56 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.36 2wrl h LYS 54 Cb 1.41 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 2wrl h LYS 54 CO -0.57 -0.12 0.70 0.00 -0.57 0.00 0.00 179.45 178.89 2wrl h ARG 55 N -0.34 0.00 -0.00 3.15 3.08 0.49 1.09 114.38 121.85 2wrl h ARG 55 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2wrl h ARG 55 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wrl h ARG 55 CO 0.03 0.00 -0.04 1.96 -1.07 0.00 0.00 179.97 180.86 2wrl h GLN 56 N 0.00 0.03 -0.12 0.04 1.08 0.96 -2.90 115.11 114.20 2wrl h GLN 56 Ca 0.03 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2wrl h GLN 56 Cb 1.42 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2wrl h GLN 56 CO -0.00 0.75 0.09 0.82 -0.95 0.00 0.00 178.83 179.54 2wrl h ILE 57 N -0.68 0.90 0.00 2.54 1.08 0.13 -3.02 117.51 118.47 2wrl h ILE 57 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2wrl h ILE 57 Cb 0.76 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2wrl h ILE 57 CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 2wrl n ALA 58 N -2.54 0.00 -0.04 1.87 0.00 -0.17 -2.08 120.51 117.54 2wrl n ALA 58 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2wrl n ALA 58 Cb 0.21 0.43 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 2wrl n ALA 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2wrl h ARG 59 N 0.00 0.35 -0.58 0.00 -0.00 -1.65 -3.16 114.38 109.34 2wrl h ARG 59 Ca 0.00 -0.22 0.19 0.00 -0.00 0.00 0.00 59.98 59.95 2wrl h ARG 59 Cb 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 29.97 29.89 2wrl h ARG 59 CO 0.00 0.82 0.12 -0.11 -0.00 0.00 0.00 179.97 180.80 2wrl n LEU 60 N -4.50 0.03 0.05 0.08 0.00 -1.01 0.31 117.00 111.97 2wrl n LEU 60 Ca -0.07 0.97 -0.20 0.00 0.00 0.00 0.00 56.01 56.71 2wrl n LEU 60 Cb 0.42 -0.40 -0.14 0.00 0.00 0.00 0.00 43.42 43.30 2wrl n LEU 60 CO 0.40 -1.02 0.05 -0.07 0.00 0.00 0.00 177.39 176.75 2wrl h LEU 61 N 0.00 0.50 -1.61 -1.96 3.38 -1.49 -3.17 115.31 110.96 2wrl h LEU 61 Ca 0.40 -0.94 0.34 0.00 0.09 0.00 0.00 57.88 57.77 2wrl h LEU 61 Cb 0.93 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 2wrl h LEU 61 CO -0.50 1.40 0.80 0.74 0.09 0.00 0.00 178.44 180.96 2wrl h THR 62 N -0.32 0.38 -0.17 0.22 2.02 0.49 0.89 112.91 116.42 2wrl h THR 62 Ca -0.14 -0.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.81 2wrl h THR 62 Cb 1.65 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2wrl h THR 62 CO 0.16 0.03 -0.52 1.62 0.37 0.00 0.00 175.52 177.18 2wrl h VAL 63 N 0.19 1.32 0.00 3.16 3.04 -0.79 -2.53 116.25 120.64 2wrl h VAL 63 Ca 0.64 -1.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 2wrl h VAL 63 Cb 2.07 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 33.30 2wrl h VAL 63 CO -0.21 0.55 0.00 0.18 -1.01 0.00 0.00 177.57 177.08 2wrl n LEU 64 N -4.16 0.00 -0.08 3.16 4.77 0.30 -1.39 117.00 119.61 2wrl n LEU 64 Ca -0.07 0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 2wrl n LEU 64 Cb 0.61 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2wrl n LEU 64 CO 0.48 -0.40 -0.43 0.59 -1.33 0.00 0.00 177.39 176.30 2wrl n ASN 65 N -1.46 1.83 0.25 -1.43 4.13 -0.73 -3.09 115.26 114.76 2wrl n ASN 65 Ca 0.01 0.57 0.08 0.00 1.68 0.00 0.00 54.58 56.92 2wrl n ASN 65 Cb 0.04 -0.89 0.63 0.00 -1.54 0.00 0.00 39.78 38.02 2wrl n ASN 65 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2wrl h GLU 66 N -1.00 0.02 0.00 3.52 4.11 -1.15 -2.75 114.58 117.33 2wrl h GLU 66 Ca -0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2wrl h GLU 66 Cb 0.74 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2wrl h GLU 66 CO -0.06 0.02 -0.02 0.87 0.07 0.00 0.00 179.01 179.89 2wrl h LYS 67 N 0.02 0.00 -1.26 1.06 1.79 -1.43 -2.73 116.57 114.03 2wrl h LYS 67 Ca 0.00 0.00 0.40 0.00 -2.18 0.00 0.00 60.65 58.87 2wrl h LYS 67 Cb 0.01 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 2wrl h LYS 67 CO -0.00 0.00 0.86 -2.13 -1.08 0.00 0.00 179.45 177.10 2wrl n ARG 68 N -2.58 -0.01 -0.05 3.15 0.63 -1.18 -0.19 116.66 116.42 2wrl n ARG 68 Ca -0.00 0.88 -0.01 0.00 -0.92 0.00 0.00 57.85 57.80 2wrl n ARG 68 Cb 0.01 -1.87 -0.00 0.00 0.45 0.00 0.00 32.46 31.04 2wrl n ARG 68 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 2wrl h ARG 69 N 0.00 0.00 -0.30 -0.14 0.11 -1.63 -3.51 114.38 108.91 2wrl h ARG 69 Ca 0.69 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.80 2wrl h ARG 69 Cb 2.48 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.55 2wrl h ARG 69 CO -0.19 0.00 -0.09 1.04 0.10 0.00 0.00 179.97 180.83 2wrl n GLN 70 N -4.57 -0.28 0.00 0.08 6.02 0.73 -5.09 117.38 114.27 2wrl n GLN 70 Ca -0.02 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2wrl n GLN 70 Cb 0.08 -0.33 0.00 0.00 1.02 0.00 0.00 30.24 31.01 2wrl n GLN 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wrl n ASN 71 N -2.57 0.00 0.00 1.08 3.02 -1.26 -5.02 115.26 110.51 2wrl n ASN 71 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2wrl n ASN 71 Cb 0.06 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2wrl n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64