#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n HIS 3 N 0.00 0.00 -0.35 2.89 8.25 -1.26 -4.49 115.22 120.27 2wdl n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdl n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdl n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wdl n LEU 4 N 0.00 0.00 -0.01 2.41 -0.00 -1.26 -3.88 117.00 114.26 2wdl n LEU 4 Ca 0.00 -0.35 0.11 0.00 -0.00 0.00 0.00 56.01 55.77 2wdl n LEU 4 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 2wdl n LEU 4 CO 0.00 -0.39 -0.63 0.29 -0.00 0.00 0.00 177.39 176.66 2wdl n LYS 5 N 1.97 0.56 0.00 1.96 4.01 -1.26 -4.74 118.16 120.66 2wdl n LYS 5 Ca 0.00 -0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 2wdl n LYS 5 Cb 0.00 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 2wdl n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2wdl n SER 6 N -2.15 0.00 0.00 4.39 3.41 -1.25 -5.12 113.62 112.89 2wdl n SER 6 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2wdl n SER 6 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2wdl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdl n GLY 7 N 1.93 4.24 0.00 5.00 0.00 -1.26 -5.16 105.19 109.95 2wdl n GLY 7 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2wdl n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl n ARG 8 N -0.42 0.00 -1.48 1.61 5.12 -1.26 -5.14 116.66 115.10 2wdl n ARG 8 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 2wdl n ARG 8 Cb 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.39 2wdl n ARG 8 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2wdl s LYS 9 N -0.01 2.17 -0.30 5.56 -2.85 -1.26 -5.06 119.74 117.99 2wdl s LYS 9 Ca 0.00 1.87 -0.13 0.00 -1.00 0.00 0.00 55.97 56.71 2wdl s LYS 9 Cb 0.00 -1.82 0.18 0.00 -2.06 0.00 0.00 37.83 34.12 2wdl s LYS 9 CO 0.00 -1.84 1.02 -0.51 0.10 0.00 0.00 175.35 174.12 2wdl s LEU 10 N -4.99 -0.52 0.44 2.77 1.43 -1.26 -5.09 118.68 111.46 2wdl s LEU 10 Ca 0.77 0.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.42 2wdl s LEU 10 Cb -0.32 1.50 0.01 0.00 0.03 0.00 0.00 46.19 47.41 2wdl s LEU 10 CO 0.44 -0.10 0.55 0.21 0.23 0.00 0.00 176.35 177.68 2wdl s ASN 11 N 2.71 5.42 0.00 2.29 3.84 -1.26 -4.98 114.94 122.97 2wdl s ASN 11 Ca 0.00 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.50 2wdl s ASN 11 Cb -0.08 -0.49 0.00 0.00 -0.55 0.00 0.00 41.25 40.12 2wdl s ASN 11 CO -0.14 -0.82 0.00 0.54 -2.79 0.00 0.00 177.10 173.89 2wdl n ARG 12 N -1.83 -0.01 -3.97 0.43 1.74 -1.26 -4.66 116.66 107.10 2wdl n ARG 12 Ca 0.08 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.94 2wdl n ARG 12 Cb 0.60 -0.01 -0.05 0.00 -1.02 0.00 0.00 32.46 31.98 2wdl n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wdl s HIS 13 N -0.64 2.75 0.00 -1.55 -3.43 -1.26 -4.82 115.29 106.34 2wdl s HIS 13 Ca 0.00 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 2wdl s HIS 13 Cb 0.00 -1.77 0.00 0.00 -1.43 0.00 0.00 32.58 29.38 2wdl s HIS 13 CO 0.00 0.24 0.16 -1.13 -2.00 0.00 0.00 174.74 172.01 2wdl n SER 14 N -1.26 0.00 -0.39 7.38 3.41 -1.26 0.85 113.62 122.35 2wdl n SER 14 Ca -0.02 0.16 0.32 0.00 -0.26 0.00 0.00 58.87 59.08 2wdl n SER 14 Cb 0.61 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.18 2wdl n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wdl h SER 15 N 0.00 0.27 0.05 4.04 4.64 -1.98 0.18 113.55 120.75 2wdl h SER 15 Ca 0.00 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2wdl h SER 15 Cb 0.00 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2wdl h SER 15 CO 0.00 -0.04 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.15 2wdl h HIS 16 N 0.18 -0.07 -0.62 4.77 -0.00 -1.62 -1.52 115.15 116.27 2wdl h HIS 16 Ca 0.70 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 61.05 2wdl h HIS 16 Cb 2.19 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 29.59 2wdl h HIS 16 CO -0.00 0.52 0.30 -0.09 -0.00 0.00 0.00 177.93 178.67 2wdl h ARG 17 N -0.74 0.89 -0.55 5.26 2.43 0.19 0.20 114.38 122.06 2wdl h ARG 17 Ca -0.01 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2wdl h ARG 17 Cb 0.62 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2wdl h ARG 17 CO 0.01 0.71 0.37 1.25 -1.51 0.00 0.00 179.97 180.80 2wdl h LEU 18 N 0.86 0.63 -0.77 3.80 7.12 -0.79 -0.77 115.31 125.38 2wdl h LEU 18 Ca 0.21 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.24 2wdl h LEU 18 Cb 0.11 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.04 2wdl h LEU 18 CO -0.03 0.46 0.49 0.00 -0.13 0.00 0.00 178.44 179.23 2wdl h ALA 19 N 1.21 1.00 -0.09 1.25 0.00 -0.62 -2.27 119.26 119.73 2wdl h ALA 19 Ca 0.20 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2wdl h ALA 19 Cb -0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 2wdl h ALA 19 CO -0.05 0.30 -0.27 1.25 0.00 0.00 0.00 179.25 180.49 2wdl h LEU 20 N 0.96 -0.83 -0.83 0.00 5.85 0.80 -1.05 115.31 120.22 2wdl h LEU 20 Ca 0.30 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.26 2wdl h LEU 20 Cb -0.00 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 2wdl h LEU 20 CO -0.10 -0.32 0.46 1.88 -0.34 0.00 0.00 178.44 180.01 2wdl h TYR 21 N -0.36 0.82 -0.64 1.25 0.99 -0.94 -1.12 116.97 116.97 2wdl h TYR 21 Ca 0.09 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 2wdl h TYR 21 Cb 0.49 -0.24 -0.03 0.00 1.00 0.00 0.00 36.73 37.96 2wdl h TYR 21 CO -0.35 0.28 0.13 0.00 -0.00 0.00 0.00 178.16 178.23 2wdl h ARG 22 N 0.72 1.03 0.00 4.88 3.08 -0.80 -0.59 114.38 122.69 2wdl h ARG 22 Ca 0.42 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2wdl h ARG 22 Cb 0.48 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2wdl h ARG 22 CO -0.29 0.92 0.00 0.09 -1.07 0.00 0.00 179.97 179.62 2wdl n ASN 23 N -4.23 0.00 -0.12 7.04 5.03 -0.47 -0.97 115.26 121.54 2wdl n ASN 23 Ca 0.05 -0.32 -0.19 0.00 0.87 0.00 0.00 54.58 54.99 2wdl n ASN 23 Cb 0.26 -0.21 -0.12 0.00 -1.02 0.00 0.00 39.78 38.69 2wdl n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wdl n GLN 24 N -1.21 0.65 -0.07 3.52 6.02 -0.74 -3.55 117.38 122.00 2wdl n GLN 24 Ca 0.15 0.16 -0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2wdl n GLN 24 Cb 0.19 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 2wdl n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdl h ALA 25 N -0.03 0.30 -0.60 -1.58 0.00 -1.01 0.52 119.26 116.85 2wdl h ALA 25 Ca -0.58 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.33 2wdl h ALA 25 Cb 1.90 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 2wdl h ALA 25 CO -0.09 -0.09 -0.07 0.87 0.00 0.00 0.00 179.25 179.87 2wdl h LYS 26 N 0.21 0.06 0.10 0.00 1.57 -1.24 0.15 116.57 117.42 2wdl h LYS 26 Ca 0.07 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wdl h LYS 26 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wdl h LYS 26 CO -0.00 0.04 -0.05 0.77 -0.57 0.00 0.00 179.45 179.64 2wdl h SER 27 N 0.06 -0.11 -1.00 0.86 0.02 -1.50 0.51 113.55 112.39 2wdl h SER 27 Ca 0.31 -0.42 0.27 0.00 -0.84 0.00 0.00 61.79 61.11 2wdl h SER 27 Cb 0.49 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 62.92 2wdl h SER 27 CO -0.56 0.40 0.58 0.25 -1.14 0.00 0.00 176.83 176.36 2wdl h LEU 28 N -0.67 0.61 0.11 5.07 7.12 0.63 0.53 115.31 128.72 2wdl h LEU 28 Ca -0.01 0.16 -0.21 0.00 0.13 0.00 0.00 57.88 57.94 2wdl h LEU 28 Cb 0.53 0.07 0.02 0.00 -0.53 0.00 0.00 40.66 40.75 2wdl h LEU 28 CO 0.02 0.02 -0.89 -0.07 -0.13 0.00 0.00 178.44 177.38 2wdl h LEU 29 N 0.49 0.59 0.39 2.25 4.07 -0.66 -3.30 115.31 119.14 2wdl h LEU 29 Ca 0.68 -0.88 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 2wdl h LEU 29 Cb 1.38 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 2wdl h LEU 29 CO -0.52 1.42 -0.49 0.74 -1.08 0.00 0.00 178.44 178.50 2wdl h THR 30 N -0.14 0.05 -0.36 0.22 2.02 0.66 -3.42 112.91 111.93 2wdl h THR 30 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2wdl h THR 30 Cb 1.65 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2wdl h THR 30 CO 0.17 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.47 2wdl n HIS 31 N -5.54 0.00 0.00 3.16 8.25 0.02 -5.09 115.22 116.03 2wdl n HIS 31 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2wdl n HIS 31 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2wdl n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdl n GLY 32 N 5.00 0.00 3.58 -1.41 0.00 -1.24 -4.82 105.19 106.30 2wdl n GLY 32 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wdl n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdl s ARG 33 N -1.93 2.35 0.15 1.61 3.00 -1.26 -3.50 118.95 119.36 2wdl s ARG 33 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 55.73 54.87 2wdl s ARG 33 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 34.95 32.51 2wdl s ARG 33 CO 0.00 0.55 -0.01 0.42 0.00 0.00 0.00 175.30 176.27 2wdl s ILE 34 N -1.10 0.61 -0.14 1.52 -1.09 -0.10 -4.92 121.20 115.98 2wdl s ILE 34 Ca 0.19 -1.96 -0.04 0.00 -2.23 0.00 0.00 60.65 56.62 2wdl s ILE 34 Cb -0.11 -2.00 0.05 0.00 -1.58 0.00 0.00 42.46 38.82 2wdl s ILE 34 CO 0.11 -0.58 0.06 -0.89 -1.23 0.00 0.00 174.94 172.41 2wdl s THR 35 N -3.69 0.07 0.00 2.92 2.01 -1.26 0.25 115.64 115.93 2wdl s THR 35 Ca 0.21 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2wdl s THR 35 Cb 0.06 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2wdl s THR 35 CO 0.01 -0.12 0.00 0.35 -0.69 0.00 0.00 174.62 174.18 2wdl n THR 36 N 5.23 0.00 -2.49 -0.82 -2.24 -0.77 -4.96 114.28 108.22 2wdl n THR 36 Ca -0.07 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 2wdl n THR 36 Cb 0.49 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 2wdl n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wdl s THR 37 N -0.40 4.52 0.13 4.28 -4.23 -1.26 -0.69 115.64 118.00 2wdl s THR 37 Ca 0.00 1.23 -0.26 0.00 -1.18 0.00 0.00 61.69 61.48 2wdl s THR 37 Cb 0.00 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.08 2wdl s THR 37 CO 0.00 -0.62 1.45 0.58 -0.54 0.00 0.00 174.62 175.49 2wdl h VAL 38 N 1.09 0.00 0.44 2.29 2.07 -1.83 0.01 116.25 120.32 2wdl h VAL 38 Ca -0.47 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2wdl h VAL 38 Cb 1.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2wdl h VAL 38 CO 0.62 0.00 -0.38 -0.65 0.02 0.00 0.00 177.57 177.18 2wdl h PRO 39 N -0.01 -0.79 -0.87 1.57 0.11 -1.93 0.11 132.00 130.19 2wdl h PRO 39 Ca 0.13 0.05 0.25 0.00 0.11 0.00 0.00 66.00 66.55 2wdl h PRO 39 Cb 0.35 0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 2wdl h PRO 39 CO -0.78 -0.52 0.80 -0.22 -0.21 0.00 0.00 178.00 177.06 2wdl h LYS 40 N -0.82 0.00 0.00 1.05 3.64 -1.80 -0.98 116.57 117.67 2wdl h LYS 40 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wdl h LYS 40 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2wdl h LYS 40 CO -0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.14 2wdl h ALA 41 N 1.23 0.00 -1.47 5.00 0.00 -0.19 -3.21 119.26 120.62 2wdl h ALA 41 Ca 0.41 -0.09 0.43 0.00 0.00 0.00 0.00 54.91 55.66 2wdl h ALA 41 Cb 2.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 2wdl h ALA 41 CO -0.00 0.02 1.12 1.63 0.00 0.00 0.00 179.25 182.01 2wdl n LYS 42 N -2.36 0.00 0.03 0.00 5.02 0.29 0.15 118.16 121.28 2wdl n LYS 42 Ca -0.00 0.86 -0.21 0.00 -2.02 0.00 0.00 58.31 56.93 2wdl n LYS 42 Cb 0.01 -2.00 -0.14 0.00 -0.02 0.00 0.00 35.03 32.88 2wdl n LYS 42 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2wdl h GLU 43 N 0.00 0.28 -0.80 1.97 4.57 -1.37 -3.36 114.58 115.87 2wdl h GLU 43 Ca 0.70 -0.47 0.16 0.00 -1.18 0.00 0.00 59.36 58.57 2wdl h GLU 43 Cb 2.92 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 31.59 2wdl h GLU 43 CO -0.01 1.23 0.32 1.25 -1.18 0.00 0.00 179.01 180.62 2wdl h LEU 44 N -0.30 0.28 0.00 1.64 7.12 0.13 -3.23 115.31 120.94 2wdl h LEU 44 Ca -0.25 0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2wdl h LEU 44 Cb 1.74 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.98 2wdl h LEU 44 CO 0.10 0.07 0.00 -2.11 -0.13 0.00 0.00 178.44 176.37 2wdl n ARG 45 N -5.02 0.00 -0.34 1.25 1.85 -0.97 -1.66 116.66 111.77 2wdl n ARG 45 Ca 0.16 0.50 0.16 0.00 -1.00 0.00 0.00 57.85 57.67 2wdl n ARG 45 Cb 0.48 -0.92 0.36 0.00 -1.05 0.00 0.00 32.46 31.33 2wdl n ARG 45 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2wdl h GLY 46 N 0.00 1.83 0.80 2.89 0.00 -1.80 -0.21 103.07 106.58 2wdl h GLY 46 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.11 2wdl h GLY 46 CO 0.00 -0.20 0.57 -2.75 0.00 0.00 0.00 176.54 174.16 2wdl h PHE 47 N 0.60 0.96 0.03 5.60 3.57 -1.38 -2.19 116.94 124.13 2wdl h PHE 47 Ca 0.62 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.14 2wdl h PHE 47 Cb 1.12 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2wdl h PHE 47 CO -0.02 0.47 -0.01 0.28 -2.23 0.00 0.00 178.31 176.79 2wdl h VAL 48 N 0.92 1.40 -0.34 1.41 2.07 -0.21 -3.30 116.25 118.20 2wdl h VAL 48 Ca 0.39 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 66.17 2wdl h VAL 48 Cb 0.33 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2wdl h VAL 48 CO -0.16 0.43 -0.20 0.44 0.02 0.00 0.00 177.57 178.09 2wdl h ASP 49 N -0.87 -0.75 -0.66 0.57 3.45 -1.02 0.44 116.42 117.58 2wdl h ASP 49 Ca -0.00 0.11 0.10 0.00 0.43 0.00 0.00 57.03 57.67 2wdl h ASP 49 Cb 0.73 0.33 -0.10 0.00 -0.56 0.00 0.00 39.33 39.73 2wdl h ASP 49 CO 0.01 -0.08 -0.28 1.57 -1.57 0.00 0.00 179.24 178.89 2wdl n HIS 50 N -3.77 -0.02 -0.20 4.55 -0.00 -0.85 0.19 115.22 115.10 2wdl n HIS 50 Ca 0.01 0.82 -0.04 0.00 0.46 0.00 0.00 57.72 58.96 2wdl n HIS 50 Cb 0.09 -0.72 0.06 0.00 -0.12 0.00 0.00 29.99 29.31 2wdl n HIS 50 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2wdl h LEU 51 N 0.00 0.54 -0.53 0.27 3.38 -0.33 -1.15 115.31 117.49 2wdl h LEU 51 Ca 0.21 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2wdl h LEU 51 Cb 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2wdl h LEU 51 CO -0.65 0.37 0.20 0.40 0.09 0.00 0.00 178.44 178.85 2wdl h ILE 52 N 0.67 1.22 0.00 1.22 1.08 0.45 -1.71 117.51 120.44 2wdl h ILE 52 Ca 0.25 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.97 2wdl h ILE 52 Cb 0.08 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2wdl h ILE 52 CO -0.13 0.26 -0.26 -0.74 -0.69 0.00 0.00 178.15 176.60 2wdl h HIS 53 N 0.72 0.00 0.00 1.37 2.76 -0.11 -1.08 115.15 118.81 2wdl h HIS 53 Ca 0.18 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2wdl h HIS 53 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2wdl h HIS 53 CO 0.01 0.26 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.36 2wdl h LEU 54 N 0.00 0.00 -0.06 0.26 4.07 -0.72 -2.82 115.31 116.05 2wdl h LEU 54 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wdl h LEU 54 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2wdl h LEU 54 CO 0.03 0.47 0.00 0.00 -1.08 0.00 0.00 178.44 177.86 2wdl n ALA 55 N -2.29 2.23 0.10 1.53 0.00 -0.45 -2.85 120.51 118.77 2wdl n ALA 55 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 2wdl n ALA 55 Cb 0.60 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.63 2wdl n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdl h LYS 56 N 0.00 0.04 -7.36 0.00 1.57 -1.17 -3.42 116.57 106.22 2wdl h LYS 56 Ca 0.00 -0.04 -0.46 0.00 -1.87 0.00 0.00 60.65 58.28 2wdl h LYS 56 Cb 0.68 0.01 0.08 0.00 0.08 0.00 0.00 32.23 33.08 2wdl h LYS 56 CO 0.00 0.82 0.28 1.03 -0.57 0.00 0.00 179.45 181.00 2wdl s ARG 57 N -3.21 2.26 0.00 3.15 0.52 -1.13 -5.02 118.95 115.52 2wdl s ARG 57 Ca -0.01 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2wdl s ARG 57 Cb 0.11 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.46 2wdl s ARG 57 CO 0.80 -1.25 0.00 0.41 0.02 0.00 0.00 175.30 175.28 2wdl n GLY 58 N -2.98 0.05 3.20 -3.53 0.00 -1.26 -4.93 105.19 95.75 2wdl n GLY 58 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2wdl n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdl n ASP 59 N -1.09 -1.38 -0.27 1.61 3.85 -1.26 -4.63 116.55 113.39 2wdl n ASP 59 Ca 0.00 1.03 -0.00 0.00 -0.71 0.00 0.00 54.79 55.11 2wdl n ASP 59 Cb 0.00 -0.89 0.07 0.00 -1.35 0.00 0.00 41.12 38.95 2wdl n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wdl h LEU 60 N 0.86 -0.92 -0.98 -2.12 6.46 -1.99 -0.09 115.31 116.53 2wdl h LEU 60 Ca -0.28 0.24 0.22 0.00 -0.12 0.00 0.00 57.88 57.95 2wdl h LEU 60 Cb 1.36 0.54 -0.19 0.00 -0.73 0.00 0.00 40.66 41.65 2wdl h LEU 60 CO 0.53 -0.27 -0.16 -0.74 -0.62 0.00 0.00 178.44 177.17 2wdl h HIS 61 N -0.04 -0.38 -0.56 1.25 2.76 -1.99 0.98 115.15 117.17 2wdl h HIS 61 Ca 0.34 0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2wdl h HIS 61 Cb 0.57 0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.83 2wdl h HIS 61 CO -0.65 -0.43 0.00 0.00 -1.30 0.00 0.00 177.93 175.55 2wdl h ALA 62 N 1.98 0.94 -0.33 5.26 0.00 -1.32 0.38 119.26 126.18 2wdl h ALA 62 Ca 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wdl h ALA 62 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wdl h ALA 62 CO -0.98 0.64 0.20 -0.09 0.00 0.00 0.00 179.25 179.02 2wdl h ARG 63 N 0.89 0.44 -0.14 0.00 2.43 0.12 0.45 114.38 118.56 2wdl h ARG 63 Ca 0.16 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 2wdl h ARG 63 Cb 0.52 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wdl h ARG 63 CO 0.03 0.32 -0.67 0.00 -1.51 0.00 0.00 179.97 178.14 2wdl h ARG 64 N 0.43 0.56 -0.06 0.20 3.08 -0.48 0.21 114.38 118.32 2wdl h ARG 64 Ca 0.12 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 2wdl h ARG 64 Cb -0.01 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2wdl h ARG 64 CO -0.02 1.04 -0.32 1.25 -1.07 0.00 0.00 179.97 180.85 2wdl h LEU 65 N 0.40 0.11 0.04 3.04 5.85 0.07 -2.58 115.31 122.24 2wdl h LEU 65 Ca -0.02 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 2wdl h LEU 65 Cb 1.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2wdl h LEU 65 CO 0.13 0.43 -1.59 0.58 -0.34 0.00 0.00 178.44 177.64 2wdl h VAL 66 N 0.09 1.02 0.00 1.05 2.07 0.02 -3.29 116.25 117.21 2wdl h VAL 66 Ca 0.01 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.73 2wdl h VAL 66 Cb 0.61 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2wdl h VAL 66 CO 0.04 0.67 0.00 -0.11 0.02 0.00 0.00 177.57 178.20 2wdl n LEU 67 N -3.22 0.14 0.23 2.57 7.94 0.71 -2.38 117.00 122.99 2wdl n LEU 67 Ca -0.16 0.55 -0.10 0.00 -1.11 0.00 0.00 56.01 55.19 2wdl n LEU 67 Cb 1.03 -0.55 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 2wdl n LEU 67 CO 0.46 -0.47 0.27 0.03 -1.11 0.00 0.00 177.39 176.57 2wdl h ARG 68 N 0.00 -0.63 0.46 1.96 3.08 -1.56 -3.39 114.38 114.31 2wdl h ARG 68 Ca 0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2wdl h ARG 68 Cb 0.13 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2wdl h ARG 68 CO 0.00 -0.42 -0.22 -0.44 -1.07 0.00 0.00 179.97 177.82 2wdl h ASP 69 N -1.13 -0.52 -3.56 7.04 3.45 -1.72 -3.40 116.42 116.58 2wdl h ASP 69 Ca -0.07 0.02 -0.52 0.00 0.43 0.00 0.00 57.03 56.89 2wdl h ASP 69 Cb 0.50 0.14 0.02 0.00 -0.56 0.00 0.00 39.33 39.43 2wdl h ASP 69 CO 0.11 -0.27 0.57 -0.76 -1.57 0.00 0.00 179.24 177.31 2wdl s LEU 70 N -7.62 4.46 -0.01 1.55 1.43 -1.00 -4.90 118.68 112.58 2wdl s LEU 70 Ca -0.09 2.31 0.20 0.00 -1.03 0.00 0.00 54.13 55.52 2wdl s LEU 70 Cb 0.01 -3.61 -0.26 0.00 0.03 0.00 0.00 46.19 42.35 2wdl s LEU 70 CO 0.27 -0.37 0.67 1.67 0.23 0.00 0.00 176.35 178.82 2wdl n GLN 71 N 2.16 0.52 -2.83 1.70 -0.06 -1.26 -4.30 117.38 113.30 2wdl n GLN 71 Ca 0.03 -0.08 -0.40 0.00 -2.00 0.00 0.00 57.00 54.55 2wdl n GLN 71 Cb 0.44 -1.46 -0.05 0.00 -4.06 0.00 0.00 30.24 25.11 2wdl n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2wdl s ASP 72 N -3.53 7.45 -0.12 1.69 3.68 -1.26 -4.98 116.67 119.59 2wdl s ASP 72 Ca 0.01 1.72 -0.15 0.00 2.13 0.00 0.00 52.55 56.26 2wdl s ASP 72 Cb 0.14 -2.55 -0.13 0.00 -1.45 0.00 0.00 42.92 38.93 2wdl s ASP 72 CO 0.83 0.05 0.39 0.58 0.13 0.00 0.00 175.17 177.15 2wdl h VAL 73 N 3.74 0.92 -0.94 1.11 2.07 -1.97 -2.69 116.25 118.49 2wdl h VAL 73 Ca -0.44 -1.69 0.24 0.00 0.82 0.00 0.00 66.70 65.62 2wdl h VAL 73 Cb 1.21 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 2wdl h VAL 73 CO 0.70 0.31 0.64 0.50 0.02 0.00 0.00 177.57 179.74 2wdl h LYS 74 N -1.00 0.25 0.06 1.57 1.63 -1.99 0.20 116.57 117.30 2wdl h LYS 74 Ca -0.00 -0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.51 2wdl h LYS 74 Cb 0.52 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.12 2wdl h LYS 74 CO -0.00 0.17 -1.11 1.25 -3.45 0.00 0.00 179.45 176.31 2wdl h LEU 75 N 0.26 0.86 -1.00 5.20 7.12 -1.98 -1.98 115.31 123.80 2wdl h LEU 75 Ca 0.48 -0.79 -0.01 0.00 0.13 0.00 0.00 57.88 57.69 2wdl h LEU 75 Cb 1.45 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 41.27 2wdl h LEU 75 CO -0.14 1.55 0.47 0.58 -0.13 0.00 0.00 178.44 180.77 2wdl h VAL 76 N 0.28 1.24 0.54 1.05 2.07 -0.37 0.37 116.25 121.44 2wdl h VAL 76 Ca -0.16 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2wdl h VAL 76 Cb 1.78 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2wdl h VAL 76 CO 0.21 0.27 -0.26 0.03 0.02 0.00 0.00 177.57 177.85 2wdl h ARG 77 N 1.18 -0.70 -1.48 1.57 3.08 -0.82 0.39 114.38 117.60 2wdl h ARG 77 Ca 0.30 0.05 0.43 0.00 0.07 0.00 0.00 59.98 60.83 2wdl h ARG 77 Cb 0.01 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.15 2wdl h ARG 77 CO -0.05 -0.47 1.04 -0.22 -1.07 0.00 0.00 179.97 179.20 2wdl h LYS 78 N -0.75 0.04 0.21 0.04 3.64 -1.08 -1.00 116.57 117.68 2wdl h LYS 78 Ca -0.07 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2wdl h LYS 78 Cb 0.56 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2wdl h LYS 78 CO 0.12 0.03 -0.10 1.25 -2.27 0.00 0.00 179.45 178.48 2wdl h LEU 79 N 0.04 -0.24 0.52 5.20 6.46 0.72 -2.86 115.31 125.15 2wdl h LEU 79 Ca 0.74 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.49 2wdl h LEU 79 Cb 2.79 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 42.77 2wdl h LEU 79 CO -0.10 0.09 -0.42 -0.26 -0.62 0.00 0.00 178.44 177.13 2wdl h PHE 80 N -0.82 -1.15 -2.50 1.25 0.05 0.86 -0.40 116.94 114.23 2wdl h PHE 80 Ca -0.03 0.00 -0.80 0.00 3.82 0.00 0.00 57.97 60.96 2wdl h PHE 80 Cb 0.22 0.43 -0.28 0.00 2.00 0.00 0.00 35.95 38.32 2wdl h PHE 80 CO 0.02 -0.59 0.88 -0.40 -0.18 0.00 0.00 178.31 178.04 2wdl n ASP 81 N -5.01 6.89 0.00 2.17 3.85 -0.49 -3.92 116.55 120.04 2wdl n ASP 81 Ca -0.11 -3.58 0.00 0.00 -0.71 0.00 0.00 54.79 50.39 2wdl n ASP 81 Cb 0.40 -1.19 0.00 0.00 -1.35 0.00 0.00 41.12 38.99 2wdl n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2wdl n GLU 82 N 0.47 0.00 -0.00 0.11 2.13 -1.22 -4.81 120.64 117.32 2wdl n GLU 82 Ca 0.38 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.19 2wdl n GLU 82 Cb 0.29 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.00 2wdl n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2wdl n ILE 83 N 0.00 0.44 -0.37 6.31 2.08 -0.48 -4.69 119.36 122.66 2wdl n ILE 83 Ca 0.00 0.23 0.29 0.00 0.56 0.00 0.00 62.75 63.83 2wdl n ILE 83 Cb 0.00 -1.41 0.59 0.00 -0.75 0.00 0.00 39.64 38.07 2wdl n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wdl h ALA 84 N -0.61 2.54 -0.34 -1.39 0.00 -1.25 -0.27 119.26 117.93 2wdl h ALA 84 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wdl h ALA 84 Cb 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2wdl h ALA 84 CO 0.00 -1.01 0.18 -1.35 0.00 0.00 0.00 179.25 177.07 2wdl h PRO 85 N 0.24 0.36 0.00 0.00 0.11 -1.82 -2.06 132.00 128.84 2wdl h PRO 85 Ca 0.67 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.76 2wdl h PRO 85 Cb 1.98 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 33.01 2wdl h PRO 85 CO -0.29 0.24 0.00 0.54 -0.21 0.00 0.00 178.00 178.27 2wdl n ARG 86 N -4.93 0.00 0.00 1.05 1.74 -0.11 -1.24 116.66 113.17 2wdl n ARG 86 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wdl n ARG 86 Cb 0.07 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2wdl n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wdl n TYR 87 N -0.79 0.00 -0.42 -1.55 4.01 -0.79 -4.86 117.16 112.75 2wdl n TYR 87 Ca 0.00 0.00 0.33 0.00 -0.16 0.00 0.00 57.90 58.07 2wdl n TYR 87 Cb 0.00 0.00 0.51 0.00 -0.31 0.00 0.00 39.34 39.54 2wdl n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wdl n ARG 88 N -0.31 0.00 -0.30 -0.72 0.00 -0.37 0.77 116.66 115.73 2wdl n ARG 88 Ca 0.00 0.75 0.07 0.00 -0.00 0.00 0.00 57.85 58.67 2wdl n ARG 88 Cb 0.05 -1.77 0.20 0.00 0.00 0.00 0.00 32.46 30.94 2wdl n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wdl n ASP 89 N -3.18 3.37 -4.35 6.15 8.00 -1.26 -4.93 116.55 120.35 2wdl n ASP 89 Ca 0.28 -2.47 -0.36 0.00 0.71 0.00 0.00 54.79 52.94 2wdl n ASP 89 Cb 1.34 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.93 2wdl n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wdl s ARG 90 N -1.85 3.27 -1.08 -1.24 3.52 0.23 -5.03 118.95 116.76 2wdl s ARG 90 Ca 0.32 -0.72 -0.19 0.00 -0.13 0.00 0.00 55.73 55.01 2wdl s ARG 90 Cb 0.22 -3.25 0.10 0.00 -1.56 0.00 0.00 34.95 30.47 2wdl s ARG 90 CO 0.12 -0.33 1.40 -1.14 -0.81 0.00 0.00 175.30 174.55 2wdl s GLN 91 N 1.51 3.77 0.00 5.12 0.74 -1.26 -4.89 119.66 124.65 2wdl s GLN 91 Ca 0.04 -1.79 0.00 0.00 0.05 0.00 0.00 55.36 53.66 2wdl s GLN 91 Cb -0.16 -5.19 0.00 0.00 1.10 0.00 0.00 33.01 28.76 2wdl s GLN 91 CO 0.01 -1.99 0.00 0.41 -0.55 0.00 0.00 175.29 173.17 2wdl n GLY 92 N 5.59 -1.08 3.13 2.59 0.00 -1.26 -5.03 105.19 109.13 2wdl n GLY 92 Ca 0.34 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.67 2wdl n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 93 N -1.21 -1.21 0.06 -0.02 0.00 -1.26 -4.92 105.19 96.63 2wdl n GLY 93 Ca 0.00 0.52 0.11 0.00 0.00 0.00 0.00 46.02 46.65 2wdl n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdl n TYR 94 N -2.36 0.00 -4.78 1.61 4.02 -1.26 -4.81 117.16 109.58 2wdl n TYR 94 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 2wdl n TYR 94 Cb 0.55 -0.11 -0.14 0.00 -0.02 0.00 0.00 39.34 39.62 2wdl n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wdl s THR 95 N -2.92 2.02 0.07 -0.72 -1.32 -1.26 -0.22 115.64 111.29 2wdl s THR 95 Ca 0.11 -1.38 0.09 0.00 -1.21 0.00 0.00 61.69 59.31 2wdl s THR 95 Cb 0.17 -1.74 -0.03 0.00 -1.51 0.00 0.00 72.50 69.39 2wdl s THR 95 CO 0.75 0.29 -0.24 -0.60 -2.21 0.00 0.00 174.62 172.61 2wdl s ARG 96 N -1.31 1.50 -0.15 7.08 3.52 0.62 -4.73 118.95 125.49 2wdl s ARG 96 Ca 0.11 -1.13 -0.03 0.00 -0.13 0.00 0.00 55.73 54.54 2wdl s ARG 96 Cb -0.10 -1.75 0.05 0.00 -1.56 0.00 0.00 34.95 31.59 2wdl s ARG 96 CO 0.02 0.44 0.06 0.08 -0.81 0.00 0.00 175.30 175.09 2wdl s VAL 97 N -0.91 0.16 0.09 7.11 1.01 -1.26 -1.51 120.40 125.10 2wdl s VAL 97 Ca 0.10 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2wdl s VAL 97 Cb -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2wdl s VAL 97 CO 0.03 -0.13 -0.20 -0.76 0.00 0.00 0.00 175.10 174.04 2wdl s LEU 98 N 2.03 2.57 -0.13 3.92 1.43 -0.86 -4.93 118.68 122.71 2wdl s LEU 98 Ca 0.02 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2wdl s LEU 98 Cb -0.15 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2wdl s LEU 98 CO -0.07 0.21 0.14 -1.59 0.23 0.00 0.00 176.35 175.26 2wdl s LYS 99 N -1.87 3.53 0.05 1.70 0.00 -1.26 0.47 119.74 122.36 2wdl s LYS 99 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 55.97 55.88 2wdl s LYS 99 Cb -0.10 -3.21 -0.06 0.00 0.00 0.00 0.00 37.83 34.46 2wdl s LYS 99 CO 0.07 0.72 0.38 -0.51 0.00 0.00 0.00 175.35 176.01 2wdl s LEU 100 N -0.85 4.37 0.86 2.77 2.01 -0.38 -4.94 118.68 122.52 2wdl s LEU 100 Ca 0.14 0.78 -0.11 0.00 0.01 0.00 0.00 54.13 54.95 2wdl s LEU 100 Cb -0.12 -2.86 0.11 0.00 0.01 0.00 0.00 46.19 43.33 2wdl s LEU 100 CO 0.03 0.21 1.09 0.00 1.01 0.00 0.00 176.35 178.70 2wdl s ALA 101 N -1.33 1.73 0.00 4.21 0.00 -1.26 -4.40 121.76 120.72 2wdl s ALA 101 Ca 0.30 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2wdl s ALA 101 Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2wdl s ALA 101 CO 0.17 -2.22 0.00 0.39 0.00 0.00 0.00 175.76 174.10 2wdl n GLU 102 N -3.81 0.00 -2.97 0.00 1.02 -1.26 -4.95 120.64 108.67 2wdl n GLU 102 Ca 0.08 0.44 -0.20 0.00 -0.02 0.00 0.00 57.16 57.46 2wdl n GLU 102 Cb 0.54 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.98 2wdl n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wdl s ARG 103 N -3.13 2.84 -0.21 3.49 0.52 -1.26 -4.31 118.95 116.89 2wdl s ARG 103 Ca 0.00 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.04 2wdl s ARG 103 Cb 0.00 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 2wdl s ARG 103 CO 0.00 -0.36 1.37 0.50 0.02 0.00 0.00 175.30 176.83 2wdl s ARG 104 N -4.50 4.05 -0.84 3.54 3.52 -1.06 -4.82 118.95 118.84 2wdl s ARG 104 Ca 0.52 1.58 -0.25 0.00 -0.13 0.00 0.00 55.73 57.45 2wdl s ARG 104 Cb -0.10 -3.87 0.02 0.00 -1.56 0.00 0.00 34.95 29.44 2wdl s ARG 104 CO 0.35 -0.95 1.51 1.03 -0.81 0.00 0.00 175.30 176.44 2wdl s ARG 105 N 3.96 3.16 0.00 5.12 0.52 -1.26 -0.37 118.95 130.08 2wdl s ARG 105 Ca 0.60 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2wdl s ARG 105 Cb -0.22 -4.74 0.00 0.00 0.52 0.00 0.00 34.95 30.51 2wdl s ARG 105 CO 0.21 -2.42 0.00 0.41 0.02 0.00 0.00 175.30 173.52 2wdl n GLY 106 N 6.15 0.00 0.00 -3.53 0.00 -1.26 -4.89 105.19 101.66 2wdl n GLY 106 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2wdl n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdl n ASP 107 N 0.00 0.00 -3.56 1.61 3.85 -1.19 -5.03 116.55 112.23 2wdl n ASP 107 Ca 0.00 0.00 -0.21 0.00 -0.71 0.00 0.00 54.79 53.87 2wdl n ASP 107 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2wdl n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wdl n GLY 108 N 0.00 -0.81 3.50 6.12 0.00 0.50 -4.92 105.19 109.58 2wdl n GLY 108 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 2wdl n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl s ALA 109 N -3.03 3.15 0.44 4.61 0.00 -1.23 -4.82 121.76 120.88 2wdl s ALA 109 Ca 0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 2wdl s ALA 109 Cb -0.05 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.14 2wdl s ALA 109 CO 0.63 -0.07 1.11 -0.35 0.00 0.00 0.00 175.76 177.09 2wdl n PRO 110 N 4.07 1.52 -5.03 0.00 -0.04 -1.26 -2.57 135.00 131.69 2wdl n PRO 110 Ca -0.17 0.55 -0.31 0.00 -0.04 0.00 0.00 63.50 63.53 2wdl n PRO 110 Cb 0.52 -2.19 -0.15 0.00 -0.04 0.00 0.00 33.50 31.64 2wdl n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdl s LEU 111 N -1.19 2.23 0.19 1.53 1.43 -1.26 -3.13 118.68 118.48 2wdl s LEU 111 Ca 0.64 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2wdl s LEU 111 Cb -0.52 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2wdl s LEU 111 CO 0.56 0.29 -0.05 0.00 0.23 0.00 0.00 176.35 177.38 2wdl s ALA 112 N -0.74 1.64 0.09 4.21 0.00 0.13 -1.25 121.76 125.84 2wdl s ALA 112 Ca 0.11 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.53 2wdl s ALA 112 Cb -0.10 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2wdl s ALA 112 CO 0.01 -0.19 -0.24 -0.48 0.00 0.00 0.00 175.76 174.86 2wdl s LEU 113 N -3.24 2.25 -0.25 0.00 0.05 0.18 -1.85 118.68 115.81 2wdl s LEU 113 Ca 0.23 -0.65 0.00 0.00 0.05 0.00 0.00 54.13 53.76 2wdl s LEU 113 Cb 0.04 -1.11 0.07 0.00 -2.05 0.00 0.00 46.19 43.15 2wdl s LEU 113 CO 0.05 0.17 -0.00 -0.69 -0.55 0.00 0.00 176.35 175.32 2wdl s VAL 114 N -0.97 1.30 0.32 1.48 1.01 0.14 -2.02 120.40 121.66 2wdl s VAL 114 Ca 0.10 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 60.94 2wdl s VAL 114 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2wdl s VAL 114 CO 0.04 -0.26 0.20 -0.70 0.00 0.00 0.00 175.10 174.37 2wdl s GLU 115 N 1.48 2.57 -0.44 2.72 2.12 -0.57 -0.92 118.70 125.66 2wdl s GLU 115 Ca -0.01 -1.38 -0.18 0.00 0.36 0.00 0.00 54.97 53.76 2wdl s GLU 115 Cb -0.18 -2.34 0.03 0.00 0.26 0.00 0.00 34.13 31.90 2wdl s GLU 115 CO -0.10 0.16 0.52 -0.51 -0.54 0.00 0.00 175.26 174.79 2wdl s LEU 116 N -3.89 4.81 -0.35 2.70 1.43 -1.23 -0.27 118.68 121.88 2wdl s LEU 116 Ca 0.38 -0.64 -0.32 0.00 -1.03 0.00 0.00 54.13 52.51 2wdl s LEU 116 Cb -0.05 -2.48 -0.14 0.00 0.03 0.00 0.00 46.19 43.56 2wdl s LEU 116 CO 0.24 -0.68 1.31 0.52 0.23 0.00 0.00 176.35 177.97 2wdl n VAL 117 N 5.56 0.00 -1.29 -1.59 0.31 0.69 -4.90 118.33 117.12 2wdl n VAL 117 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2wdl n VAL 117 Cb 0.47 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 2wdl n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72