#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s ARG 3 N 0.00 3.45 -1.16 0.54 3.52 -1.26 -5.03 118.95 119.02 2wdj s ARG 3 Ca 0.00 -0.63 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 2wdj s ARG 3 Cb 0.00 -3.44 0.25 0.00 -1.56 0.00 0.00 34.95 30.20 2wdj s ARG 3 CO 0.00 -0.32 1.59 0.00 -0.81 0.00 0.00 175.30 175.76 2wdj n ALA 4 N 4.94 5.12 -0.79 6.12 0.00 -1.26 -5.04 120.51 129.60 2wdj n ALA 4 Ca -0.15 -4.60 -0.33 0.00 0.00 0.00 0.00 53.44 48.36 2wdj n ALA 4 Cb 0.50 -2.61 0.12 0.00 0.00 0.00 0.00 19.45 17.46 2wdj n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wdj n LYS 5 N 2.52 -0.36 0.06 0.00 2.85 -1.26 -4.85 118.16 117.11 2wdj n LYS 5 Ca 0.31 -0.07 -0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2wdj n LYS 5 Cb 0.35 -1.83 -0.06 0.00 -0.65 0.00 0.00 35.03 32.84 2wdj n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2wdj h THR 6 N -1.58 0.24 0.00 0.58 2.02 -2.05 -3.45 112.91 108.67 2wdj h THR 6 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wdj h THR 6 Cb 1.29 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2wdj h THR 6 CO 0.34 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.84 2wdj n GLY 7 N -1.43 2.00 0.00 2.16 0.00 -1.26 -3.51 105.19 103.15 2wdj n GLY 7 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wdj n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdj n VAL 8 N 0.00 0.00 -0.23 1.61 0.31 -1.26 -4.92 118.33 113.84 2wdj n VAL 8 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.53 2wdj n VAL 8 Cb 0.00 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.31 2wdj n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2wdj n VAL 9 N -0.60 -0.29 0.03 2.52 0.31 -1.23 -1.02 118.33 118.05 2wdj n VAL 9 Ca 0.00 1.45 -0.21 0.00 -0.01 0.00 0.00 64.34 65.57 2wdj n VAL 9 Cb 0.00 -2.30 -0.14 0.00 -0.91 0.00 0.00 33.84 30.48 2wdj n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdj h ARG 10 N 0.00 0.27 0.00 5.55 2.43 -1.91 -2.81 114.38 117.91 2wdj h ARG 10 Ca 0.57 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2wdj h ARG 10 Cb 1.45 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2wdj h ARG 10 CO -0.56 1.22 -0.01 -0.09 -1.51 0.00 0.00 179.97 179.01 2wdj h ARG 11 N -0.34 0.00 0.26 0.20 2.43 -1.43 -2.00 114.38 113.50 2wdj h ARG 11 Ca -0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2wdj h ARG 11 Cb 1.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2wdj h ARG 11 CO 0.10 0.01 -0.13 0.00 -1.51 0.00 0.00 179.97 178.45 2wdj h ARG 12 N 0.00 -0.34 -0.17 0.20 3.08 -1.41 -1.92 114.38 113.82 2wdj h ARG 12 Ca -0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.12 2wdj h ARG 12 Cb 0.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2wdj h ARG 12 CO 0.00 -0.06 0.55 0.87 -1.07 0.00 0.00 179.97 180.26 2wdj h LYS 13 N -1.01 0.00 0.00 0.04 1.57 -1.34 -2.65 116.57 113.18 2wdj h LYS 13 Ca -0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2wdj h LYS 13 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2wdj h LYS 13 CO 0.06 0.00 -0.42 0.45 -0.57 0.00 0.00 179.45 178.96 2wdj h HIS 14 N 0.00 0.00 0.00 -1.35 3.86 -1.18 -3.33 115.15 113.14 2wdj h HIS 14 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2wdj h HIS 14 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2wdj h HIS 14 CO 0.00 0.38 0.00 0.36 0.86 0.00 0.00 177.93 179.53 2wdj n LYS 15 N -4.63 0.29 -0.03 2.45 0.00 -0.74 -1.54 118.16 113.96 2wdj n LYS 15 Ca -0.10 0.07 -0.14 0.00 -0.00 0.00 0.00 58.31 58.13 2wdj n LYS 15 Cb 0.28 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.72 2wdj n LYS 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2wdj h LYS 16 N 0.00 0.24 -0.10 -1.58 3.64 -1.60 -1.79 116.57 115.38 2wdj h LYS 16 Ca 0.00 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 2wdj h LYS 16 Cb 0.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wdj h LYS 16 CO 0.00 0.84 -0.34 0.82 -2.27 0.00 0.00 179.45 178.50 2wdj h ILE 17 N -0.29 1.39 -0.99 2.00 1.08 -1.39 -1.77 117.51 117.54 2wdj h ILE 17 Ca -0.01 -1.67 0.17 0.00 -0.39 0.00 0.00 64.86 62.96 2wdj h ILE 17 Cb 0.87 2.18 -0.10 0.00 -3.07 0.00 0.00 36.82 36.70 2wdj h ILE 17 CO 0.05 0.49 0.60 -0.07 -0.69 0.00 0.00 178.15 178.53 2wdj h LEU 18 N -0.03 0.79 -0.07 1.44 3.38 -1.39 0.21 115.31 119.64 2wdj h LEU 18 Ca -0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wdj h LEU 18 Cb 0.96 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wdj h LEU 18 CO 0.07 0.31 -0.08 0.11 0.09 0.00 0.00 178.44 178.94 2wdj h LYS 19 N 0.80 0.19 0.00 1.13 1.57 -1.28 -3.07 116.57 115.91 2wdj h LYS 19 Ca 0.56 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2wdj h LYS 19 Cb 0.81 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2wdj h LYS 19 CO -0.36 0.64 0.00 -0.11 -0.57 0.00 0.00 179.45 179.05 2wdj n LEU 20 N -4.69 0.57 -2.02 2.94 -0.00 -0.08 -2.57 117.00 111.16 2wdj n LEU 20 Ca -0.07 0.76 -0.13 0.00 -0.00 0.00 0.00 56.01 56.57 2wdj n LEU 20 Cb 0.32 -0.83 0.05 0.00 -0.00 0.00 0.00 43.42 42.96 2wdj n LEU 20 CO 0.37 -0.94 0.15 0.00 -0.00 0.00 0.00 177.39 176.96 2wdj n ALA 21 N -1.78 4.13 -2.16 1.96 0.00 0.53 -5.05 120.51 118.14 2wdj n ALA 21 Ca -0.01 -3.41 -0.28 0.00 0.00 0.00 0.00 53.44 49.74 2wdj n ALA 21 Cb 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2wdj n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdj s LYS 22 N -3.42 3.52 0.00 0.00 -0.14 -1.06 -4.00 119.74 114.64 2wdj s LYS 22 Ca 0.43 0.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.36 2wdj s LYS 22 Cb 0.38 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2wdj s LYS 22 CO -0.00 -0.32 0.00 0.41 -0.76 0.00 0.00 175.35 174.67 2wdj n GLY 23 N -2.40 2.65 3.44 -3.33 0.00 -1.26 -5.04 105.19 99.24 2wdj n GLY 23 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2wdj n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdj s TYR 24 N -2.26 -0.06 0.00 1.61 4.12 -1.26 -5.06 117.35 114.45 2wdj s TYR 24 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 57.07 57.65 2wdj s TYR 24 Cb 0.00 -3.15 0.00 0.00 -1.52 0.00 0.00 41.96 37.29 2wdj s TYR 24 CO 0.00 -4.46 0.00 1.87 0.02 0.00 0.00 175.55 172.98 2wdj n TRP 25 N -5.23 0.00 0.00 2.71 -0.00 -1.26 -4.64 117.44 109.02 2wdj n TRP 25 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 2wdj n TRP 25 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.91 2wdj n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2wdj n GLY 26 N 0.00 0.08 0.13 5.87 0.00 -1.26 -4.66 105.19 105.35 2wdj n GLY 26 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2wdj n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdj n LEU 27 N 0.00 0.42 0.25 0.99 4.77 -1.26 -2.55 117.00 119.63 2wdj n LEU 27 Ca 0.00 -0.11 0.17 0.00 -0.03 0.00 0.00 56.01 56.04 2wdj n LEU 27 Cb 0.00 -0.04 0.78 0.00 -2.33 0.00 0.00 43.42 41.83 2wdj n LEU 27 CO 0.00 0.07 1.00 0.03 -1.33 0.00 0.00 177.39 177.16 2wdj h ARG 28 N 0.65 0.00 0.00 3.23 3.08 -1.86 -1.16 114.38 118.32 2wdj h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdj h ARG 28 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2wdj h ARG 28 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2wdj n SER 29 N -2.79 1.19 0.00 7.04 3.41 -1.06 -3.12 113.62 118.30 2wdj n SER 29 Ca -0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2wdj n SER 29 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2wdj n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdj n LYS 30 N -0.15 2.56 -2.95 4.33 4.76 -1.05 -4.85 118.16 120.81 2wdj n LYS 30 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2wdj n LYS 30 Cb 0.11 -1.00 -0.05 0.00 -1.84 0.00 0.00 35.03 32.25 2wdj n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wdj s SER 31 N -2.63 6.54 0.00 4.39 0.15 -0.46 -4.91 113.70 116.78 2wdj s SER 31 Ca 0.00 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2wdj s SER 31 Cb 0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2wdj s SER 31 CO 0.00 -0.76 0.01 2.22 1.20 0.00 0.00 173.24 175.91 2wdj n PHE 32 N 6.48 0.00 0.00 3.44 -1.74 -1.26 -1.00 117.46 123.38 2wdj n PHE 32 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 2wdj n PHE 32 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 2wdj n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wdj n ARG 33 N -0.33 2.41 -0.08 3.97 1.85 -1.26 -4.60 116.66 118.61 2wdj n ARG 33 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2wdj n ARG 33 Cb 0.00 -0.26 -0.05 0.00 -1.05 0.00 0.00 32.46 31.10 2wdj n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2wdj h LYS 34 N 0.00 0.61 0.69 2.89 1.79 -1.26 -2.01 116.57 119.27 2wdj h LYS 34 Ca 0.00 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.12 2wdj h LYS 34 Cb 0.00 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2wdj h LYS 34 CO 0.00 0.92 -0.51 0.00 -1.08 0.00 0.00 179.45 178.78 2wdj h ALA 35 N 0.68 -1.24 -1.00 3.86 0.00 -1.23 -1.70 119.26 118.64 2wdj h ALA 35 Ca 0.04 -0.23 0.38 0.00 0.00 0.00 0.00 54.91 55.10 2wdj h ALA 35 Cb 0.80 0.67 -0.18 0.00 0.00 0.00 0.00 17.79 19.09 2wdj h ALA 35 CO 0.06 -1.22 0.43 -0.09 0.00 0.00 0.00 179.25 178.43 2wdj h ARG 36 N -1.15 0.04 -0.52 0.00 2.43 -1.73 0.66 114.38 114.11 2wdj h ARG 36 Ca -0.09 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2wdj h ARG 36 Cb 0.94 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2wdj h ARG 36 CO 0.04 0.02 -0.02 0.93 -1.51 0.00 0.00 179.97 179.43 2wdj h GLU 37 N 0.04 0.89 -0.13 0.20 5.08 -0.55 -2.89 114.58 117.22 2wdj h GLU 37 Ca 0.78 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.71 2wdj h GLU 37 Cb 1.96 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 2wdj h GLU 37 CO -0.78 0.90 -0.60 1.15 -1.00 0.00 0.00 179.01 178.68 2wdj h THR 38 N 0.82 1.35 -0.10 1.13 2.02 0.77 -3.16 112.91 115.74 2wdj h THR 38 Ca 0.15 -1.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 2wdj h THR 38 Cb 0.52 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2wdj h THR 38 CO 0.03 0.58 -0.10 -0.07 0.37 0.00 0.00 175.52 176.33 2wdj h LEU 39 N 0.32 0.13 -0.77 2.58 3.38 -0.96 0.87 115.31 120.87 2wdj h LEU 39 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2wdj h LEU 39 Cb 1.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2wdj h LEU 39 CO 0.10 0.26 -0.36 -0.26 0.09 0.00 0.00 178.44 178.27 2wdj h PHE 40 N 0.14 0.60 0.53 1.13 0.05 -1.50 -1.13 116.94 116.76 2wdj h PHE 40 Ca 0.03 -0.16 -0.03 0.00 3.82 0.00 0.00 57.97 61.64 2wdj h PHE 40 Cb 0.28 -0.13 0.01 0.00 2.00 0.00 0.00 35.95 38.10 2wdj h PHE 40 CO 0.00 0.80 -0.26 0.00 -0.18 0.00 0.00 178.31 178.68 2wdj h ALA 41 N 1.18 -0.72 0.53 2.45 0.00 -1.01 -2.57 119.26 119.12 2wdj h ALA 41 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wdj h ALA 41 Cb 0.83 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wdj h ALA 41 CO 0.07 -0.81 -0.37 0.00 0.00 0.00 0.00 179.25 178.13 2wdj h ALA 42 N -0.53 -1.15 -1.08 0.00 0.00 -0.88 -2.08 119.26 113.55 2wdj h ALA 42 Ca -0.07 -0.18 0.34 0.00 0.00 0.00 0.00 54.91 55.00 2wdj h ALA 42 Cb 0.61 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 2wdj h ALA 42 CO 0.12 -1.13 0.65 0.78 0.00 0.00 0.00 179.25 179.67 2wdj h GLY 43 N -0.86 1.76 1.64 0.00 0.00 -1.30 0.86 103.07 105.17 2wdj h GLY 43 Ca -0.07 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 2wdj h GLY 43 CO 0.04 -0.42 -0.55 -0.57 0.00 0.00 0.00 176.54 175.04 2wdj h ASN 44 N 0.28 0.42 0.00 0.19 -0.73 -1.17 -3.07 115.58 111.50 2wdj h ASN 44 Ca 0.73 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.68 2wdj h ASN 44 Cb 1.85 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2wdj h ASN 44 CO -0.51 0.89 0.00 -1.22 -0.37 0.00 0.00 177.43 176.21 2wdj n TYR 45 N -3.93 0.00 -0.28 0.67 0.53 0.29 -2.34 117.16 112.10 2wdj n TYR 45 Ca -0.03 0.00 0.27 0.00 -1.02 0.00 0.00 57.90 57.12 2wdj n TYR 45 Cb 0.59 -0.34 0.48 0.00 -1.03 0.00 0.00 39.34 39.04 2wdj n TYR 45 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wdj n ALA 46 N -1.51 0.87 -0.07 -0.72 0.00 -0.54 0.11 120.51 118.65 2wdj n ALA 46 Ca 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 54.08 2wdj n ALA 46 Cb 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 2wdj n ALA 46 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2wdj h TYR 47 N 0.00 0.48 0.00 0.00 3.20 -1.56 0.92 116.97 120.01 2wdj h TYR 47 Ca 0.67 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.41 2wdj h TYR 47 Cb 1.87 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.03 2wdj h TYR 47 CO -0.01 0.73 0.00 0.00 -1.64 0.00 0.00 178.16 177.24 2wdj h ALA 48 N 0.68 1.00 0.00 1.82 0.00 0.12 -3.03 119.26 119.85 2wdj h ALA 48 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wdj h ALA 48 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wdj h ALA 48 CO 0.03 0.00 -0.73 0.45 0.00 0.00 0.00 179.25 179.00 2wdj h HIS 49 N 0.00 0.00 -0.12 0.00 3.86 0.79 -3.11 115.15 116.57 2wdj h HIS 49 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 2wdj h HIS 49 Cb 0.70 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.18 2wdj h HIS 49 CO 0.00 0.13 -0.77 0.00 0.86 0.00 0.00 177.93 178.15 2wdj h ARG 50 N 0.00 0.74 0.00 2.45 3.08 -0.69 0.20 114.38 120.15 2wdj h ARG 50 Ca -0.02 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.40 2wdj h ARG 50 Cb 1.12 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2wdj h ARG 50 CO 0.01 1.24 0.00 0.87 -1.07 0.00 0.00 179.97 181.02 2wdj h LYS 51 N 0.45 0.00 0.00 0.04 1.79 -1.63 -3.08 116.57 114.14 2wdj h LYS 51 Ca -0.06 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 2wdj h LYS 51 Cb 1.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.04 2wdj h LYS 51 CO 0.16 0.00 -0.74 0.00 -1.08 0.00 0.00 179.45 177.79 2wdj h ARG 52 N 0.00 0.00 -1.70 3.15 2.47 -1.29 -3.36 114.38 113.64 2wdj h ARG 52 Ca 0.00 0.00 0.49 0.00 -1.26 0.00 0.00 59.98 59.21 2wdj h ARG 52 Cb 0.26 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.52 2wdj h ARG 52 CO 0.00 0.63 1.23 -0.09 0.56 0.00 0.00 179.97 182.30 2wdj h ARG 53 N -1.00 0.00 0.00 0.04 2.43 -0.55 -0.07 114.38 115.24 2wdj h ARG 53 Ca -0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2wdj h ARG 53 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2wdj h ARG 53 CO -0.10 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 179.99 2wdj n LYS 54 N -4.01 0.00 0.31 0.20 4.76 -1.23 -3.04 118.16 115.15 2wdj n LYS 54 Ca 0.38 0.22 0.20 0.00 -2.87 0.00 0.00 58.31 56.23 2wdj n LYS 54 Cb 1.76 -1.09 1.05 0.00 -1.84 0.00 0.00 35.03 34.91 2wdj n LYS 54 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2wdj h ARG 55 N 0.00 0.00 0.00 1.97 0.11 -1.26 -0.50 114.38 114.69 2wdj h ARG 55 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wdj h ARG 55 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wdj h ARG 55 CO 0.00 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 179.63 2wdj h ASP 56 N 0.00 0.00 0.00 0.08 3.32 -1.09 -2.88 116.42 115.86 2wdj h ASP 56 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2wdj h ASP 56 Cb 0.13 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 2wdj h ASP 56 CO 0.00 0.00 -2.28 0.49 -1.72 0.00 0.00 179.24 175.73 2wdj n PHE 57 N -2.82 0.00 0.19 4.55 0.99 -0.29 -3.27 117.46 116.81 2wdj n PHE 57 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.53 2wdj n PHE 57 Cb 0.30 -0.87 0.35 0.00 -1.00 0.00 0.00 39.48 38.26 2wdj n PHE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdj h ARG 58 N -0.01 0.00 0.00 -1.08 3.08 -1.23 -0.95 114.38 114.19 2wdj h ARG 58 Ca -0.50 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.13 2wdj h ARG 58 Cb 1.78 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.77 2wdj h ARG 58 CO -0.08 0.00 -2.40 0.54 -1.07 0.00 0.00 179.97 176.96 2wdj n ARG 59 N -2.13 0.53 -0.29 0.04 1.74 -1.09 -3.78 116.66 111.67 2wdj n ARG 59 Ca -0.01 0.23 0.27 0.00 -0.77 0.00 0.00 57.85 57.57 2wdj n ARG 59 Cb 0.43 -1.39 0.61 0.00 -1.02 0.00 0.00 32.46 31.08 2wdj n ARG 59 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wdj h LEU 60 N -0.87 0.25 0.00 0.55 7.12 -1.19 -1.37 115.31 119.80 2wdj h LEU 60 Ca -0.63 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.42 2wdj h LEU 60 Cb 1.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.70 2wdj h LEU 60 CO -0.38 0.06 0.00 0.79 -0.13 0.00 0.00 178.44 178.78 2wdj n TRP 61 N -4.43 0.00 -0.39 1.25 8.01 -0.71 -3.01 117.44 118.15 2wdj n TRP 61 Ca 0.24 0.00 0.30 0.00 -1.31 0.00 0.00 57.50 56.72 2wdj n TRP 61 Cb 0.97 -0.20 0.46 0.00 -2.01 0.00 0.00 31.31 30.54 2wdj n TRP 61 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 2wdj n ILE 62 N -1.09 -0.01 0.03 -0.99 2.08 -0.79 -0.34 119.36 118.25 2wdj n ILE 62 Ca 0.00 0.85 -0.02 0.00 0.56 0.00 0.00 62.75 64.14 2wdj n ILE 62 Cb 0.00 -1.41 -0.01 0.00 -0.75 0.00 0.00 39.64 37.47 2wdj n ILE 62 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2wdj h VAL 63 N 0.00 0.00 -1.21 1.39 2.07 -1.33 -2.42 116.25 114.75 2wdj h VAL 63 Ca 0.53 -0.28 0.35 0.00 0.82 0.00 0.00 66.70 68.12 2wdj h VAL 63 Cb 2.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 2wdj h VAL 63 CO -0.02 0.00 1.12 0.03 0.02 0.00 0.00 177.57 178.72 2wdj h ARG 64 N -0.38 0.00 0.00 1.57 3.08 -0.59 0.48 114.38 118.54 2wdj h ARG 64 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdj h ARG 64 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2wdj h ARG 64 CO 0.02 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 178.03 2wdj n ILE 65 N -3.60 0.00 0.28 2.04 5.41 -0.91 -3.14 119.36 119.44 2wdj n ILE 65 Ca 0.27 0.40 0.07 0.00 1.00 0.00 0.00 62.75 64.49 2wdj n ILE 65 Cb 1.49 -1.00 0.36 0.00 -0.71 0.00 0.00 39.64 39.79 2wdj n ILE 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2wdj h ASN 66 N 0.00 0.00 -1.45 4.38 -1.24 -0.74 0.59 115.58 117.12 2wdj h ASN 66 Ca 0.00 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.39 2wdj h ASN 66 Cb 0.00 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 38.66 2wdj h ASN 66 CO 0.00 0.00 -0.30 0.00 -1.29 0.00 0.00 177.43 175.84 2wdj n ALA 67 N -1.62 5.42 0.00 1.57 0.00 0.16 -3.66 120.51 122.38 2wdj n ALA 67 Ca -0.01 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2wdj n ALA 67 Cb 0.62 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2wdj n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n ALA 68 N -0.56 0.00 1.23 0.00 0.00 0.18 -4.80 120.51 116.57 2wdj n ALA 68 Ca 0.44 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.99 2wdj n ALA 68 Cb 0.63 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.46 2wdj n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n ARG 70 N 0.34 0.31 0.09 0.00 0.63 -1.22 -3.17 116.66 113.64 2wdj n ARG 70 Ca 0.16 0.03 0.12 0.00 -0.92 0.00 0.00 57.85 57.25 2wdj n ARG 70 Cb 0.34 -1.64 0.45 0.00 0.45 0.00 0.00 32.46 32.06 2wdj n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wdj n GLN 71 N -2.06 0.19 -1.16 -0.14 6.02 -0.88 -2.26 117.38 117.08 2wdj n GLN 71 Ca 0.02 0.25 -0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2wdj n GLN 71 Cb 0.45 -1.76 0.14 0.00 1.02 0.00 0.00 30.24 30.09 2wdj n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wdj n HIS 72 N -2.10 1.64 0.00 1.08 8.25 -1.19 -5.01 115.22 117.89 2wdj n HIS 72 Ca 0.05 -1.92 0.00 0.00 -0.26 0.00 0.00 57.72 55.59 2wdj n HIS 72 Cb 0.34 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.91 2wdj n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdj n GLY 73 N -1.00 2.12 3.17 -1.41 0.00 -0.96 -4.94 105.19 102.17 2wdj n GLY 73 Ca 0.38 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 2wdj n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wdj n LEU 74 N 0.00 -3.39 -4.90 0.99 -0.00 -1.25 -4.61 117.00 103.84 2wdj n LEU 74 Ca 0.00 0.19 -0.22 0.00 -0.00 0.00 0.00 56.01 55.98 2wdj n LEU 74 Cb 0.00 -0.91 -0.02 0.00 -0.00 0.00 0.00 43.42 42.49 2wdj n LEU 74 CO 0.00 -4.64 0.05 0.54 -0.00 0.00 0.00 177.39 173.34 2wdj s ASN 75 N -1.43 4.91 0.09 1.45 2.20 -1.26 -3.43 114.94 117.46 2wdj s ASN 75 Ca 0.47 -0.92 -0.26 0.00 -0.94 0.00 0.00 52.86 51.21 2wdj s ASN 75 Cb -0.16 -0.17 -0.15 0.00 -2.00 0.00 0.00 41.25 38.76 2wdj s ASN 75 CO 0.75 -0.86 1.70 0.22 -2.94 0.00 0.00 177.10 175.96 2wdj h TYR 76 N 0.87 -0.32 -1.66 1.54 3.20 -1.90 0.71 116.97 119.41 2wdj h TYR 76 Ca -0.39 -0.00 0.49 0.00 3.14 0.00 0.00 58.73 61.97 2wdj h TYR 76 Cb 1.28 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 39.58 2wdj h TYR 76 CO 0.65 -0.19 1.18 0.66 -1.64 0.00 0.00 178.16 178.82 2wdj h SER 77 N -0.32 0.04 0.00 -2.11 4.64 -1.99 -1.55 113.55 112.26 2wdj h SER 77 Ca -0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wdj h SER 77 Cb 0.26 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2wdj h SER 77 CO 0.03 -0.02 -0.04 0.74 -0.87 0.00 0.00 176.83 176.67 2wdj h THR 78 N 0.02 0.00 -0.52 2.95 2.02 -1.80 -3.24 112.91 112.34 2wdj h THR 78 Ca 0.82 -0.11 0.17 0.00 0.77 0.00 0.00 66.41 68.05 2wdj h THR 78 Cb 3.17 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.48 2wdj h THR 78 CO -0.07 0.00 0.09 0.33 0.37 0.00 0.00 175.52 176.24 2wdj n PHE 79 N -2.44 0.41 0.01 3.16 -0.00 0.18 0.11 117.46 118.90 2wdj n PHE 79 Ca -0.01 0.62 -0.18 0.00 -0.00 0.00 0.00 57.45 57.89 2wdj n PHE 79 Cb 0.02 -0.94 -0.12 0.00 -0.00 0.00 0.00 39.48 38.44 2wdj n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2wdj h ILE 80 N 0.00 1.47 -0.05 -2.13 1.08 -1.51 -2.84 117.51 113.52 2wdj h ILE 80 Ca 0.35 -2.20 0.01 0.00 -0.39 0.00 0.00 64.86 62.63 2wdj h ILE 80 Cb 0.80 2.79 -0.00 0.00 -3.07 0.00 0.00 36.82 37.35 2wdj h ILE 80 CO -0.46 0.63 0.04 -0.74 -0.69 0.00 0.00 178.15 176.93 2wdj h HIS 81 N -0.22 0.00 -0.02 1.37 2.76 0.77 -0.98 115.15 118.84 2wdj h HIS 81 Ca -0.09 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 2wdj h HIS 81 Cb 1.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.34 2wdj h HIS 81 CO 0.17 0.00 -0.06 0.78 -1.30 0.00 0.00 177.93 177.52 2wdj h GLY 82 N 0.00 0.08 1.01 5.26 0.00 -1.00 -0.83 103.07 107.59 2wdj h GLY 82 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2wdj h GLY 82 CO -0.00 0.09 0.47 1.41 0.00 0.00 0.00 176.54 178.51 2wdj h LEU 83 N -0.53 0.92 0.19 3.11 4.07 -1.17 0.27 115.31 122.17 2wdj h LEU 83 Ca -0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2wdj h LEU 83 Cb 0.69 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2wdj h LEU 83 CO 0.01 0.71 -0.09 0.50 -1.08 0.00 0.00 178.44 178.48 2wdj h LYS 84 N 1.05 -0.25 -1.00 1.13 1.63 -1.27 0.13 116.57 117.99 2wdj h LYS 84 Ca 0.28 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.25 2wdj h LYS 84 Cb -0.05 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.54 2wdj h LYS 84 CO -0.05 0.15 0.62 -0.22 -3.45 0.00 0.00 179.45 176.49 2wdj h LYS 85 N -0.78 0.84 0.00 1.90 3.64 -1.07 -2.41 116.57 118.69 2wdj h LYS 85 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2wdj h LYS 85 Cb 0.51 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2wdj h LYS 85 CO 0.04 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 2wdj n ALA 86 N -2.35 -0.48 0.00 5.00 0.00 0.93 -4.95 120.51 118.66 2wdj n ALA 86 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wdj n ALA 86 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2wdj n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdj n GLY 87 N -0.99 0.12 3.08 0.00 0.00 0.28 -5.08 105.19 102.61 2wdj n GLY 87 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wdj n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wdj s ILE 88 N -0.12 3.93 -0.19 -0.61 -4.36 -0.07 -4.91 121.20 114.86 2wdj s ILE 88 Ca 0.00 -3.48 0.01 0.00 -0.26 0.00 0.00 60.65 56.92 2wdj s ILE 88 Cb 0.00 -3.50 0.07 0.00 1.25 0.00 0.00 42.46 40.28 2wdj s ILE 88 CO 0.00 -0.98 1.02 -1.84 0.24 0.00 0.00 174.94 173.37 2wdj n GLU 89 N 2.84 1.17 0.00 0.37 0.28 -1.26 -4.58 120.64 119.46 2wdj n GLU 89 Ca 0.15 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2wdj n GLU 89 Cb 0.37 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.05 2wdj n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wdj n VAL 90 N 0.29 0.00 0.00 3.84 0.31 -1.26 -4.40 118.33 117.11 2wdj n VAL 90 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2wdj n VAL 90 Cb 0.57 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 2wdj n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdj n ASP 91 N 0.00 0.00 -2.67 4.52 4.64 -1.26 -4.49 116.55 117.29 2wdj n ASP 91 Ca 0.00 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.30 2wdj n ASP 91 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 2wdj n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2wdj n ARG 92 N 0.00 -2.62 0.00 -0.67 3.00 -1.26 0.11 116.66 115.21 2wdj n ARG 92 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 57.85 58.21 2wdj n ARG 92 Cb 0.00 -4.95 0.00 0.00 0.00 0.00 0.00 32.46 27.51 2wdj n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wdj n LYS 93 N -2.89 0.00 -0.28 5.56 4.01 -1.26 -4.32 118.16 118.97 2wdj n LYS 93 Ca -0.07 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.68 2wdj n LYS 93 Cb 0.56 -0.41 0.06 0.00 -0.51 0.00 0.00 35.03 34.73 2wdj n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wdj h ASN 94 N 0.00 0.99 -0.56 4.39 -1.24 -1.85 -2.89 115.58 114.43 2wdj h ASN 94 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2wdj h ASN 94 Cb 0.00 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.80 2wdj h ASN 94 CO 0.00 0.83 0.00 0.18 -1.29 0.00 0.00 177.43 177.15 2wdj n LEU 95 N -4.40 3.87 -1.08 0.34 4.77 0.30 -3.78 117.00 117.02 2wdj n LEU 95 Ca 0.07 -1.95 -0.01 0.00 -0.03 0.00 0.00 56.01 54.09 2wdj n LEU 95 Cb 0.12 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.81 2wdj n LEU 95 CO 0.39 0.72 0.54 0.00 -1.33 0.00 0.00 177.39 177.71 2wdj n ALA 96 N 1.01 3.10 0.89 -1.18 0.00 -1.09 -2.74 120.51 120.50 2wdj n ALA 96 Ca 0.21 -0.68 0.09 0.00 0.00 0.00 0.00 53.44 53.06 2wdj n ALA 96 Cb 0.70 -1.07 0.46 0.00 0.00 0.00 0.00 19.45 19.54 2wdj n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdj n ASP 97 N 0.13 0.00 0.17 0.00 5.75 -1.25 -2.36 116.55 118.99 2wdj n ASP 97 Ca 0.12 -0.12 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2wdj n ASP 97 Cb 0.65 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 2wdj n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wdj h LEU 98 N 0.00 -1.06 -1.03 -2.12 3.38 -1.70 0.17 115.31 112.95 2wdj h LEU 98 Ca 0.00 0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.36 2wdj h LEU 98 Cb 0.12 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2wdj h LEU 98 CO 0.00 -0.46 1.19 0.00 0.09 0.00 0.00 178.44 179.26 2wdj n ALA 99 N -2.71 0.99 -0.07 1.53 0.00 -0.99 0.16 120.51 119.42 2wdj n ALA 99 Ca -0.08 0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 2wdj n ALA 99 Cb 0.32 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 2wdj n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdj h VAL 100 N 0.00 0.75 -3.41 0.00 2.07 -0.97 -3.42 116.25 111.27 2wdj h VAL 100 Ca 0.49 -1.68 -0.66 0.00 0.82 0.00 0.00 66.70 65.67 2wdj h VAL 100 Cb 2.86 1.53 -0.19 0.00 -1.52 0.00 0.00 31.29 33.97 2wdj h VAL 100 CO -0.01 0.25 -0.67 -0.13 0.02 0.00 0.00 177.57 177.04 2wdj s ARG 101 N -2.08 3.26 -0.57 1.57 0.52 0.42 -4.74 118.95 117.33 2wdj s ARG 101 Ca -0.16 -0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 54.32 2wdj s ARG 101 Cb 0.01 -2.79 0.03 0.00 0.52 0.00 0.00 34.95 32.72 2wdj s ARG 101 CO 0.39 0.46 0.64 -0.85 0.02 0.00 0.00 175.30 175.96 2wdj n GLU 102 N 2.86 -1.86 -0.08 3.54 0.28 -1.25 -4.27 120.64 119.86 2wdj n GLU 102 Ca -0.18 1.38 -0.08 0.00 -0.16 0.00 0.00 57.16 58.13 2wdj n GLU 102 Cb 0.53 -3.01 0.09 0.00 1.43 0.00 0.00 31.44 30.48 2wdj n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2wdj h PRO 103 N 1.35 0.75 -1.09 3.44 0.13 -1.82 -3.30 132.00 131.46 2wdj h PRO 103 Ca -0.45 -0.31 0.32 0.00 -0.87 0.00 0.00 66.00 64.69 2wdj h PRO 103 Cb 1.31 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 2wdj h PRO 103 CO 0.27 0.92 0.67 1.96 -0.23 0.00 0.00 178.00 181.59 2wdj h GLN 104 N 0.65 0.31 -0.39 0.86 7.50 -1.92 1.52 115.11 123.64 2wdj h GLN 104 Ca 0.09 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.23 2wdj h GLN 104 Cb 0.76 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 28.19 2wdj h GLN 104 CO 0.06 0.21 0.24 0.28 -1.50 0.00 0.00 178.83 178.11 2wdj h VAL 105 N 0.32 1.05 0.36 -0.54 2.07 -1.94 -0.75 116.25 116.83 2wdj h VAL 105 Ca 0.70 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 68.05 2wdj h VAL 105 Cb 1.78 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2wdj h VAL 105 CO -0.44 0.09 -0.32 0.15 0.02 0.00 0.00 177.57 177.07 2wdj h PHE 106 N 0.48 -0.84 -1.02 1.57 3.57 0.18 -2.19 116.94 118.69 2wdj h PHE 106 Ca 0.15 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.92 2wdj h PHE 106 Cb -0.00 0.32 -0.12 0.00 2.79 0.00 0.00 35.95 38.94 2wdj h PHE 106 CO -0.07 -0.46 0.61 0.00 -2.23 0.00 0.00 178.31 176.16 2wdj h ALA 107 N -0.18 1.91 -0.38 2.41 0.00 -0.37 0.39 119.26 123.04 2wdj h ALA 107 Ca -0.03 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2wdj h ALA 107 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wdj h ALA 107 CO -0.03 -0.39 -0.20 0.93 0.00 0.00 0.00 179.25 179.55 2wdj h GLU 108 N 0.51 0.73 0.16 0.00 5.08 -0.58 -1.07 114.58 119.41 2wdj h GLU 108 Ca 0.65 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2wdj h GLU 108 Cb 1.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2wdj h GLU 108 CO -0.46 0.87 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.28 2wdj h LEU 109 N 0.64 -0.18 -0.85 1.33 3.38 0.20 0.31 115.31 120.15 2wdj h LEU 109 Ca 0.09 -0.26 0.19 0.00 0.09 0.00 0.00 57.88 58.00 2wdj h LEU 109 Cb 0.69 0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.33 2wdj h LEU 109 CO 0.05 0.17 -0.09 0.58 0.09 0.00 0.00 178.44 179.25 2wdj h VAL 110 N -0.55 0.18 0.00 1.22 2.07 -0.57 0.58 116.25 119.18 2wdj h VAL 110 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wdj h VAL 110 Cb 0.42 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2wdj h VAL 110 CO 0.04 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.01 2wdj n GLU 111 N -5.47 0.00 -0.40 1.57 -0.58 -0.42 -0.99 120.64 114.35 2wdj n GLU 111 Ca 0.15 0.46 0.34 0.00 -0.42 0.00 0.00 57.16 57.69 2wdj n GLU 111 Cb 0.52 -1.46 0.56 0.00 -0.57 0.00 0.00 31.44 30.49 2wdj n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wdj n ARG 112 N -1.88 -0.03 0.00 3.49 5.12 0.11 0.22 116.66 123.69 2wdj n ARG 112 Ca 0.00 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 2wdj n ARG 112 Cb 0.00 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.29 2wdj n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdj n ALA 113 N -2.56 -0.18 0.21 7.54 0.00 0.19 -1.01 120.51 124.70 2wdj n ALA 113 Ca 0.33 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.90 2wdj n ALA 113 Cb 1.31 0.00 0.74 0.00 0.00 0.00 0.00 19.45 21.50 2wdj n ALA 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wdj h LYS 114 N 0.00 0.00 -0.63 0.00 2.10 0.22 0.55 116.57 118.82 2wdj h LYS 114 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2wdj h LYS 114 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 2wdj h LYS 114 CO 0.00 0.00 0.26 0.00 -2.00 0.00 0.00 179.45 177.71 2wdj h ALA 115 N 1.90 1.27 0.00 0.07 0.00 0.26 0.55 119.26 123.32 2wdj h ALA 115 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wdj h ALA 115 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wdj h ALA 115 CO -0.00 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2wdj n ALA 116 N -2.45 2.21 -3.15 0.00 0.00 0.19 -3.11 120.51 114.21 2wdj n ALA 116 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 2wdj n ALA 116 Cb 0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 2wdj n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wdj n GLN 117 N -0.48 1.75 0.00 0.00 1.13 0.19 -4.91 117.38 115.07 2wdj n GLN 117 Ca 0.00 -3.93 0.04 0.00 -1.94 0.00 0.00 57.00 51.17 2wdj n GLN 117 Cb 0.01 -1.83 0.23 0.00 0.11 0.00 0.00 30.24 28.76 2wdj n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03