#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s LYS 2 N 0.00 0.53 -0.52 2.12 3.01 -1.26 -5.04 119.74 118.58 2wdl s LYS 2 Ca 0.00 1.24 0.05 0.00 -1.01 0.00 0.00 55.97 56.24 2wdl s LYS 2 Cb 0.00 0.65 0.39 0.00 -1.01 0.00 0.00 37.83 37.86 2wdl s LYS 2 CO 0.00 -0.33 1.13 2.41 0.51 0.00 0.00 175.35 179.06 2wdl n THR 3 N 5.43 2.74 0.03 2.17 -1.04 -1.26 -4.89 114.28 117.46 2wdl n THR 3 Ca -0.08 -5.13 0.02 0.00 -2.04 0.00 0.00 64.05 56.82 2wdl n THR 3 Cb 0.50 -1.31 0.03 0.00 -1.82 0.00 0.00 70.33 67.72 2wdl n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdl n TYR 4 N -0.40 0.00 0.00 -1.42 0.18 -1.26 -4.70 117.16 109.55 2wdl n TYR 4 Ca 0.38 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.16 2wdl n TYR 4 Cb 0.55 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 2wdl n TYR 4 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2wdl n VAL 5 N -1.14 0.00 -0.18 -3.48 3.14 -1.26 -4.97 118.33 110.44 2wdl n VAL 5 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2wdl n VAL 5 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 2wdl n VAL 5 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wdl n PRO 6 N 0.00 1.03 -4.00 1.45 -0.04 -1.26 -5.13 135.00 127.05 2wdl n PRO 6 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2wdl n PRO 6 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2wdl n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wdl s LYS 7 N -0.08 0.99 -0.39 0.54 1.02 -1.26 -5.06 119.74 115.51 2wdl s LYS 7 Ca 0.00 -1.20 -0.24 0.00 0.02 0.00 0.00 55.97 54.56 2wdl s LYS 7 Cb 0.00 0.32 -0.12 0.00 -0.52 0.00 0.00 37.83 37.51 2wdl s LYS 7 CO 0.00 -0.32 1.36 1.04 -0.92 0.00 0.00 175.35 176.51 2wdl n GLN 8 N -0.12 0.00 -3.20 1.68 6.02 -1.26 -4.84 117.38 115.66 2wdl n GLN 8 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.59 2wdl n GLN 8 Cb 0.63 -0.88 -0.05 0.00 1.02 0.00 0.00 30.24 30.96 2wdl n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wdl s VAL 9 N 4.08 4.85 -0.50 5.09 1.01 -1.26 -5.03 120.40 128.63 2wdl s VAL 9 Ca 0.74 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 63.03 2wdl s VAL 9 Cb -0.84 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 31.91 2wdl s VAL 9 CO 0.36 -0.25 0.92 -0.70 0.00 0.00 0.00 175.10 175.43 2wdl s GLU 10 N -3.23 3.43 -0.26 2.72 2.56 -1.26 -4.98 118.70 117.68 2wdl s GLU 10 Ca 0.49 -0.06 -0.32 0.00 0.00 0.00 0.00 54.97 55.08 2wdl s GLU 10 Cb -0.11 -3.99 -0.09 0.00 2.00 0.00 0.00 34.13 31.95 2wdl s GLU 10 CO 0.24 -1.33 2.16 -0.35 -0.56 0.00 0.00 175.26 175.42 2wdl n PRO 11 N 7.26 1.57 -2.79 4.30 -0.04 -1.26 -4.95 135.00 139.09 2wdl n PRO 11 Ca 0.04 0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 63.57 2wdl n PRO 11 Cb 0.48 -2.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 2wdl n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wdl s ARG 12 N 6.00 4.64 0.08 0.54 3.52 -1.26 -4.90 118.95 127.57 2wdl s ARG 12 Ca 1.04 1.35 0.02 0.00 -0.13 0.00 0.00 55.73 58.01 2wdl s ARG 12 Cb -0.63 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2wdl s ARG 12 CO 0.44 0.35 0.13 -1.58 -0.81 0.00 0.00 175.30 173.82 2wdl s TRP 13 N -1.50 3.29 -0.01 5.12 0.52 -1.26 -1.77 118.94 123.34 2wdl s TRP 13 Ca 0.47 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.73 2wdl s TRP 13 Cb -0.20 -1.66 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 2wdl s TRP 13 CO 0.26 0.54 -0.03 0.08 0.02 0.00 0.00 176.95 177.82 2wdl s VAL 14 N -1.45 0.23 0.16 4.03 1.01 0.46 -3.06 120.40 121.78 2wdl s VAL 14 Ca 0.31 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.26 2wdl s VAL 14 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2wdl s VAL 14 CO 0.24 0.08 0.01 -0.22 0.00 0.00 0.00 175.10 175.20 2wdl s LEU 15 N 0.07 3.37 -0.13 3.92 1.98 -1.26 0.67 118.68 127.30 2wdl s LEU 15 Ca -0.00 -0.33 -0.30 0.00 -2.89 0.00 0.00 54.13 50.60 2wdl s LEU 15 Cb -0.03 -2.04 0.12 0.00 0.66 0.00 0.00 46.19 44.91 2wdl s LEU 15 CO -0.00 0.11 1.00 -0.51 -1.89 0.00 0.00 176.35 175.05 2wdl s ILE 16 N -1.63 0.00 -0.31 6.68 2.07 -0.52 -2.10 121.20 125.39 2wdl s ILE 16 Ca 0.27 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.42 2wdl s ILE 16 Cb -0.10 -1.00 0.22 0.00 0.13 0.00 0.00 42.46 41.71 2wdl s ILE 16 CO 0.19 0.00 1.17 -0.67 -1.91 0.00 0.00 174.94 173.72 2wdl n ASP 17 N 0.41 -1.11 -1.90 4.50 4.64 -1.26 -1.56 116.55 120.26 2wdl n ASP 17 Ca -0.09 -0.62 -0.12 0.00 -1.38 0.00 0.00 54.79 52.58 2wdl n ASP 17 Cb 0.59 0.56 -0.04 0.00 -1.04 0.00 0.00 41.12 41.19 2wdl n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wdl n ALA 18 N 2.51 5.30 0.00 -1.67 0.00 -1.26 -4.73 120.51 120.66 2wdl n ALA 18 Ca 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2wdl n ALA 18 Cb 0.67 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2wdl n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wdl n GLU 19 N 1.31 0.00 -1.27 0.00 0.28 -1.26 0.25 120.64 119.95 2wdl n GLU 19 Ca 0.27 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 57.02 2wdl n GLU 19 Cb 0.63 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.51 2wdl n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdl n GLY 20 N -0.84 4.60 3.29 -1.84 0.00 -1.26 -1.50 105.19 107.64 2wdl n GLY 20 Ca 0.00 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 2wdl n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdl s LYS 21 N -2.30 1.15 -0.10 1.61 2.20 0.68 -4.58 119.74 118.40 2wdl s LYS 21 Ca 0.48 -1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 2wdl s LYS 21 Cb 0.35 -1.32 -0.03 0.00 -1.51 0.00 0.00 37.83 35.32 2wdl s LYS 21 CO -0.12 0.29 1.36 0.95 -0.36 0.00 0.00 175.35 177.48 2wdl s THR 22 N -1.47 4.03 0.55 3.43 -4.23 -1.26 -0.52 115.64 116.18 2wdl s THR 22 Ca 0.09 1.30 -0.21 0.00 -1.18 0.00 0.00 61.69 61.69 2wdl s THR 22 Cb -0.09 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 2wdl s THR 22 CO 0.05 -0.08 1.26 -1.48 -0.54 0.00 0.00 174.62 173.83 2wdl s LEU 23 N 3.25 3.79 0.00 4.79 2.34 -1.25 -0.22 118.68 131.37 2wdl s LEU 23 Ca 0.60 2.53 0.00 0.00 0.06 0.00 0.00 54.13 57.32 2wdl s LEU 23 Cb -0.26 -4.42 0.00 0.00 -0.56 0.00 0.00 46.19 40.95 2wdl s LEU 23 CO 0.21 -1.49 0.00 0.61 -1.06 0.00 0.00 176.35 174.62 2wdl n GLY 24 N 0.61 2.59 0.20 -3.48 0.00 -1.26 -4.40 105.19 99.45 2wdl n GLY 24 Ca 0.11 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.54 2wdl n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdl h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.80 0.16 114.38 116.82 2wdl h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wdl h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wdl h ARG 25 CO 0.00 0.31 -0.36 1.25 0.56 0.00 0.00 179.97 181.72 2wdl h LEU 26 N 0.00 0.00 -0.89 3.04 5.85 -0.81 -3.41 115.31 119.09 2wdl h LEU 26 Ca -0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2wdl h LEU 26 Cb 0.56 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.45 2wdl h LEU 26 CO 0.04 0.57 -0.39 0.00 -0.34 0.00 0.00 178.44 178.31 2wdl n ALA 27 N -3.26 -0.22 -0.20 1.25 0.00 -1.20 -1.27 120.51 115.60 2wdl n ALA 27 Ca -0.05 0.86 -0.05 0.00 0.00 0.00 0.00 53.44 54.20 2wdl n ALA 27 Cb 0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 2wdl n ALA 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wdl n THR 28 N -5.27 -0.32 -0.26 0.00 -1.04 0.55 0.10 114.28 108.04 2wdl n THR 28 Ca 0.07 1.35 0.02 0.00 -2.04 0.00 0.00 64.05 63.45 2wdl n THR 28 Cb 0.33 -1.68 0.24 0.00 -1.82 0.00 0.00 70.33 67.39 2wdl n THR 28 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2wdl h LYS 29 N 0.00 1.01 0.00 -2.82 1.57 -1.41 0.16 116.57 115.08 2wdl h LYS 29 Ca 0.08 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2wdl h LYS 29 Cb 0.19 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2wdl h LYS 29 CO -0.45 0.67 -0.12 0.82 -0.57 0.00 0.00 179.45 179.80 2wdl h ILE 30 N 1.04 0.69 0.00 1.86 2.04 0.88 0.11 117.51 124.14 2wdl h ILE 30 Ca 0.32 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 2wdl h ILE 30 Cb 0.00 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2wdl h ILE 30 CO -0.09 0.12 -0.68 0.00 0.00 0.00 0.00 178.15 177.50 2wdl h ALA 31 N 1.88 0.14 -0.45 1.87 0.00 0.58 -1.64 119.26 121.63 2wdl h ALA 31 Ca -0.00 -0.84 0.13 0.00 0.00 0.00 0.00 54.91 54.20 2wdl h ALA 31 Cb 0.30 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2wdl h ALA 31 CO 0.02 0.40 0.42 1.15 0.00 0.00 0.00 179.25 181.23 2wdl h THR 32 N -1.00 0.48 0.14 0.00 2.02 -0.56 0.21 112.91 114.19 2wdl h THR 32 Ca -0.18 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.68 2wdl h THR 32 Cb 1.07 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2wdl h THR 32 CO -0.11 0.00 -1.59 0.25 0.37 0.00 0.00 175.52 174.45 2wdl h LEU 33 N 0.00 0.45 -2.11 2.58 5.85 -0.85 -3.19 115.31 118.04 2wdl h LEU 33 Ca 0.21 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2wdl h LEU 33 Cb 1.05 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2wdl h LEU 33 CO -0.00 1.53 0.00 -0.07 -0.34 0.00 0.00 178.44 179.56 2wdl h LEU 34 N 0.08 0.00 -9.40 2.25 4.07 0.42 -2.92 115.31 109.80 2wdl h LEU 34 Ca -0.27 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.04 2wdl h LEU 34 Cb 2.04 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 43.65 2wdl h LEU 34 CO 0.17 0.00 -0.69 -0.13 -1.08 0.00 0.00 178.44 176.71 2wdl s ARG 35 N -3.84 2.37 -0.88 1.13 0.52 -0.87 -3.89 118.95 113.49 2wdl s ARG 35 Ca -0.02 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.12 2wdl s ARG 35 Cb 0.10 -2.43 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 2wdl s ARG 35 CO 0.41 0.51 2.05 0.41 0.02 0.00 0.00 175.30 178.70 2wdl n GLY 36 N 0.50 2.96 0.13 -3.53 0.00 -1.26 -4.35 105.19 99.63 2wdl n GLY 36 Ca -0.11 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 44.92 2wdl n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdl h LYS 37 N 6.92 0.00 0.09 1.61 1.63 -1.83 -3.34 116.57 121.66 2wdl h LYS 37 Ca 0.47 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.98 2wdl h LYS 37 Cb 0.38 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2wdl h LYS 37 CO 1.67 0.19 -1.58 1.12 -3.45 0.00 0.00 179.45 177.40 2wdl h HIS 38 N 0.00 0.35 -3.20 1.91 2.07 -1.76 -3.47 115.15 111.06 2wdl h HIS 38 Ca -0.05 -0.26 -0.53 0.00 -2.85 0.00 0.00 60.37 56.68 2wdl h HIS 38 Cb 1.27 -0.01 0.04 0.00 2.57 0.00 0.00 27.41 31.27 2wdl h HIS 38 CO 0.00 1.62 0.73 -0.98 -3.07 0.00 0.00 177.93 176.23 2wdl s ARG 39 N -2.48 4.32 0.00 5.12 1.70 -1.26 -4.87 118.95 121.48 2wdl s ARG 39 Ca -0.23 2.16 0.00 0.00 -0.47 0.00 0.00 55.73 57.19 2wdl s ARG 39 Cb 0.06 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 2wdl s ARG 39 CO 0.72 -0.39 0.23 -0.35 -1.08 0.00 0.00 175.30 174.43 2wdl n PRO 40 N 3.11 0.34 -0.00 3.89 -0.04 -1.26 -2.17 135.00 138.87 2wdl n PRO 40 Ca 0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 2wdl n PRO 40 Cb 0.41 -1.12 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 2wdl n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdl n ASP 41 N 0.06 1.73 0.00 3.54 9.92 -1.26 -5.03 116.55 125.52 2wdl n ASP 41 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 2wdl n ASP 41 Cb 0.06 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 2wdl n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2wdl n TRP 42 N -3.34 0.00 -3.52 1.24 -0.00 -0.92 -4.70 117.44 106.20 2wdl n TRP 42 Ca -0.27 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 56.93 2wdl n TRP 42 Cb 1.05 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 32.22 2wdl n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2wdl s THR 43 N 0.00 0.06 0.31 5.87 2.01 -1.26 -5.02 115.64 117.60 2wdl s THR 43 Ca 0.00 -1.15 0.11 0.00 0.31 0.00 0.00 61.69 60.96 2wdl s THR 43 Cb 0.00 -1.07 0.11 0.00 0.01 0.00 0.00 72.50 71.55 2wdl s THR 43 CO 0.00 -0.83 1.23 1.55 -0.69 0.00 0.00 174.62 175.88 2wdl h PRO 44 N 7.86 0.00 -0.18 4.92 0.13 -1.96 -1.77 132.00 141.00 2wdl h PRO 44 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2wdl h PRO 44 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wdl h PRO 44 CO 0.38 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.42 2wdl n ASN 45 N -2.19 3.09 0.00 1.44 0.23 -1.26 -4.75 115.26 111.83 2wdl n ASN 45 Ca -0.01 -2.71 0.00 0.00 -0.53 0.00 0.00 54.58 51.34 2wdl n ASN 45 Cb 0.54 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 2wdl n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2wdl n VAL 46 N -0.53 0.00 -1.93 3.53 3.14 -0.67 -5.11 118.33 116.77 2wdl n VAL 46 Ca 0.15 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.51 2wdl n VAL 46 Cb 0.66 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 2wdl n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdl n ALA 47 N -1.32 -3.01 -1.07 1.55 0.00 -1.24 -4.98 120.51 110.44 2wdl n ALA 47 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.90 2wdl n ALA 47 Cb 0.26 -1.20 0.21 0.00 0.00 0.00 0.00 19.45 18.73 2wdl n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdl n MET 48 N -0.43 2.23 -1.07 0.00 0.00 -1.26 -5.01 117.12 111.58 2wdl n MET 48 Ca 0.04 -2.79 -0.31 0.00 0.00 0.00 0.00 57.70 54.64 2wdl n MET 48 Cb 0.14 -1.72 0.12 0.00 0.00 0.00 0.00 33.22 31.76 2wdl n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wdl s GLY 49 N -2.34 1.73 0.88 3.17 0.00 -1.25 -4.48 107.32 105.03 2wdl s GLY 49 Ca 0.39 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 2wdl s GLY 49 CO 0.06 0.81 1.11 0.99 0.00 0.00 0.00 173.10 176.06 2wdl s ASP 50 N -3.02 3.71 -0.25 1.64 1.01 -1.10 -4.80 116.67 113.85 2wdl s ASP 50 Ca 0.64 1.24 -0.12 0.00 0.71 0.00 0.00 52.55 55.02 2wdl s ASP 50 Cb -0.20 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 2wdl s ASP 50 CO 0.56 -2.46 0.24 -0.36 0.21 0.00 0.00 175.17 173.36 2wdl s PHE 51 N -3.11 3.28 -0.14 4.23 0.40 -0.73 -4.60 117.98 117.32 2wdl s PHE 51 Ca 0.63 0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 57.21 2wdl s PHE 51 Cb -0.16 -2.40 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 2wdl s PHE 51 CO 0.55 -0.08 -0.02 0.08 0.70 0.00 0.00 175.22 176.46 2wdl s VAL 52 N 1.52 4.09 -0.19 -0.44 1.01 -1.00 -0.41 120.40 124.98 2wdl s VAL 52 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2wdl s VAL 52 Cb -0.15 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.49 2wdl s VAL 52 CO 0.08 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 2wdl s VAL 53 N 0.00 1.93 -0.24 2.92 1.01 0.21 -1.20 120.40 125.03 2wdl s VAL 53 Ca 0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2wdl s VAL 53 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2wdl s VAL 53 CO 0.02 0.41 0.17 -0.69 0.00 0.00 0.00 175.10 175.01 2wdl s VAL 54 N 1.32 5.35 0.64 2.92 1.01 -0.58 -1.44 120.40 129.62 2wdl s VAL 54 Ca 0.03 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.26 2wdl s VAL 54 Cb -0.14 -3.51 0.11 0.00 0.00 0.00 0.00 36.38 32.84 2wdl s VAL 54 CO -0.11 0.34 0.89 0.54 0.00 0.00 0.00 175.10 176.76 2wdl s VAL 55 N 1.09 2.05 -0.13 2.92 0.11 -0.60 -1.58 120.40 124.26 2wdl s VAL 55 Ca 0.08 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2wdl s VAL 55 Cb -0.14 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.52 2wdl s VAL 55 CO 0.05 0.00 0.09 -3.20 -3.33 0.00 0.00 175.10 168.70 2wdl n ASN 56 N -2.50 -0.64 0.00 3.54 4.05 -1.20 -4.70 115.26 113.81 2wdl n ASN 56 Ca 0.16 -0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.05 2wdl n ASN 56 Cb 0.61 -0.22 0.00 0.00 1.23 0.00 0.00 39.78 41.41 2wdl n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wdl n ALA 57 N -0.96 0.00 0.00 5.20 0.00 -0.51 -4.65 120.51 119.59 2wdl n ALA 57 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wdl n ALA 57 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2wdl n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdl n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.39 116.55 116.65 2wdl n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wdl n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wdl n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wdl n LYS 59 N 0.00 0.00 -1.20 0.11 4.76 -1.26 -4.84 118.16 115.73 2wdl n LYS 59 Ca 0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 2wdl n LYS 59 Cb 0.00 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 31.92 2wdl n LYS 59 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2wdl n ILE 60 N 0.00 0.83 -1.64 -0.18 -5.35 -0.56 -4.58 119.36 107.88 2wdl n ILE 60 Ca 0.00 -0.21 -0.30 0.00 -0.27 0.00 0.00 62.75 61.97 2wdl n ILE 60 Cb 0.00 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 37.97 2wdl n ILE 60 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2wdl s ARG 61 N -0.41 2.46 -0.22 6.28 1.81 0.32 -4.86 118.95 124.33 2wdl s ARG 61 Ca 0.64 0.66 -0.04 0.00 -1.72 0.00 0.00 55.73 55.28 2wdl s ARG 61 Cb -0.91 -1.96 0.12 0.00 -0.45 0.00 0.00 34.95 31.74 2wdl s ARG 61 CO 0.47 -1.36 0.38 0.54 -0.68 0.00 0.00 175.30 174.64 2wdl s VAL 62 N -3.18 -0.60 0.97 3.52 0.11 -1.26 -3.79 120.40 116.17 2wdl s VAL 62 Ca 0.59 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 2wdl s VAL 62 Cb -0.13 -0.74 0.17 0.00 -1.53 0.00 0.00 36.38 34.14 2wdl s VAL 62 CO 0.54 -0.05 1.09 -0.89 -3.33 0.00 0.00 175.10 172.45 2wdl s THR 63 N 2.55 2.39 0.01 5.04 2.01 -1.26 -4.71 115.64 121.67 2wdl s THR 63 Ca 0.08 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2wdl s THR 63 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.92 2wdl s THR 63 CO -0.14 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 2wdl n GLY 64 N -0.52 -0.38 3.30 4.40 0.00 -1.26 -3.41 105.19 107.33 2wdl n GLY 64 Ca 0.07 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2wdl n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdl n LYS 65 N -0.85 3.41 -0.02 1.61 2.85 -1.26 -4.65 118.16 119.24 2wdl n LYS 65 Ca 0.00 -3.69 0.13 0.00 -1.05 0.00 0.00 58.31 53.70 2wdl n LYS 65 Cb 0.02 -3.05 0.41 0.00 -0.65 0.00 0.00 35.03 31.76 2wdl n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wdl n LYS 66 N 5.40 1.83 -3.55 -1.58 5.02 -1.22 -4.03 118.16 120.04 2wdl n LYS 66 Ca 0.39 -1.21 -0.37 0.00 -2.02 0.00 0.00 58.31 55.10 2wdl n LYS 66 Cb 0.41 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 2wdl n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wdl s LEU 67 N -1.90 4.18 0.00 -0.35 1.43 -1.26 -1.79 118.68 118.99 2wdl s LEU 67 Ca 0.35 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 2wdl s LEU 67 Cb 0.20 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2wdl s LEU 67 CO 0.32 0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.32 2wdl n GLU 68 N 4.01 0.00 -0.04 1.70 -0.58 -1.26 -4.70 120.64 119.77 2wdl n GLU 68 Ca -0.12 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.40 2wdl n GLU 68 Cb 0.52 -0.59 -0.13 0.00 -0.57 0.00 0.00 31.44 30.67 2wdl n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wdl n GLN 69 N -1.36 0.70 -2.48 3.49 1.13 -1.25 -4.81 117.38 112.81 2wdl n GLN 69 Ca 0.00 0.31 -0.43 0.00 -1.94 0.00 0.00 57.00 54.94 2wdl n GLN 69 Cb 0.00 -1.68 -0.02 0.00 0.11 0.00 0.00 30.24 28.65 2wdl n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wdl s LYS 70 N -2.51 4.02 -0.11 -1.09 2.47 -0.74 -4.98 119.74 116.80 2wdl s LYS 70 Ca -0.26 1.30 0.03 0.00 -1.56 0.00 0.00 55.97 55.47 2wdl s LYS 70 Cb 0.07 -3.82 -0.00 0.00 -1.46 0.00 0.00 37.83 32.62 2wdl s LYS 70 CO 0.69 -0.97 -0.21 0.42 0.16 0.00 0.00 175.35 175.44 2wdl s ILE 71 N 4.00 2.31 0.16 5.43 1.01 -1.26 0.03 121.20 132.88 2wdl s ILE 71 Ca 0.53 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2wdl s ILE 71 Cb -0.17 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 2wdl s ILE 71 CO 0.19 0.55 0.44 -0.31 0.00 0.00 0.00 174.94 175.81 2wdl s TYR 72 N 0.38 3.47 0.00 3.97 1.51 1.09 -4.88 117.35 122.89 2wdl s TYR 72 Ca -0.16 0.69 0.08 0.00 -1.01 0.00 0.00 57.07 56.68 2wdl s TYR 72 Cb -0.17 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 2wdl s TYR 72 CO 0.08 0.39 -0.26 0.99 -1.11 0.00 0.00 175.55 175.64 2wdl s THR 73 N -1.67 2.08 -0.03 -0.71 2.01 -1.26 -1.25 115.64 114.81 2wdl s THR 73 Ca 0.42 -1.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2wdl s THR 73 Cb -0.12 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.68 2wdl s THR 73 CO 0.23 0.51 0.02 -0.13 -0.69 0.00 0.00 174.62 174.55 2wdl s ARG 74 N -0.82 0.19 -0.32 4.92 0.52 -0.72 -4.98 118.95 117.73 2wdl s ARG 74 Ca 0.11 0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 2wdl s ARG 74 Cb -0.10 -0.48 0.09 0.00 0.52 0.00 0.00 34.95 34.99 2wdl s ARG 74 CO 0.00 -0.19 0.02 -0.47 0.02 0.00 0.00 175.30 174.68 2wdl s TYR 75 N 1.29 3.64 0.19 -0.53 5.04 -1.26 0.47 117.35 126.19 2wdl s TYR 75 Ca -0.06 -2.81 -0.30 0.00 -2.44 0.00 0.00 57.07 51.46 2wdl s TYR 75 Cb -0.13 -2.70 -0.08 0.00 0.35 0.00 0.00 41.96 39.40 2wdl s TYR 75 CO -0.02 -0.93 1.07 -1.54 -1.34 0.00 0.00 175.55 172.79 2wdl s SER 76 N 0.99 7.32 0.00 4.32 1.04 -0.89 -4.86 113.70 121.61 2wdl s SER 76 Ca 0.06 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2wdl s SER 76 Cb -0.19 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.32 2wdl s SER 76 CO -0.07 -0.16 0.50 0.61 0.98 0.00 0.00 173.24 175.10 2wdl n GLY 77 N 1.91 -0.08 3.88 7.32 0.00 -1.26 -4.53 105.19 112.42 2wdl n GLY 77 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2wdl n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdl s TYR 78 N -2.01 3.55 0.05 1.61 1.51 -1.26 -4.98 117.35 115.82 2wdl s TYR 78 Ca 0.00 1.20 -0.30 0.00 -1.01 0.00 0.00 57.07 56.95 2wdl s TYR 78 Cb 0.00 -2.78 -0.08 0.00 -0.11 0.00 0.00 41.96 38.99 2wdl s TYR 78 CO 0.00 -0.78 1.79 -2.14 -1.11 0.00 0.00 175.55 173.31 2wdl s PRO 79 N -5.19 4.16 -1.22 -1.71 0.02 -1.26 -0.98 135.00 128.82 2wdl s PRO 79 Ca 0.55 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.02 2wdl s PRO 79 Cb -0.11 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.56 2wdl s PRO 79 CO 0.53 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2wdl n GLY 80 N 4.25 0.59 1.29 0.52 0.00 -1.26 -4.88 105.19 105.70 2wdl n GLY 80 Ca 0.18 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2wdl n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 81 N -1.21 2.60 3.61 -0.02 0.00 -0.15 -4.87 105.19 105.14 2wdl n GLY 81 Ca -0.14 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2wdl n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdl s LEU 82 N -1.13 4.12 -0.21 0.99 2.96 -1.26 -2.10 118.68 122.05 2wdl s LEU 82 Ca 0.21 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 2wdl s LEU 82 Cb 0.17 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 2wdl s LEU 82 CO 0.05 -0.46 0.34 -0.54 -1.32 0.00 0.00 176.35 174.41 2wdl s LYS 83 N 2.60 4.15 -0.27 1.98 -0.14 0.18 -4.96 119.74 123.27 2wdl s LYS 83 Ca 0.26 0.09 -0.04 0.00 -1.36 0.00 0.00 55.97 54.91 2wdl s LYS 83 Cb -0.15 -3.53 0.02 0.00 -1.68 0.00 0.00 37.83 32.49 2wdl s LYS 83 CO 0.11 -0.00 0.01 0.15 -0.76 0.00 0.00 175.35 174.86 2wdl s LYS 84 N 1.21 2.94 -0.09 1.68 1.02 -1.26 -1.76 119.74 123.47 2wdl s LYS 84 Ca 0.16 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.24 2wdl s LYS 84 Cb -0.14 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2wdl s LYS 84 CO 0.07 -0.43 -0.15 0.42 -0.92 0.00 0.00 175.35 174.34 2wdl s ILE 85 N 1.41 1.41 0.30 2.17 1.01 -0.38 -4.96 121.20 122.16 2wdl s ILE 85 Ca 0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 2wdl s ILE 85 Cb -0.17 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 2wdl s ILE 85 CO -0.01 0.42 0.74 -2.16 0.00 0.00 0.00 174.94 173.93 2wdl s PRO 86 N 0.85 4.06 0.27 2.79 0.04 -1.26 0.35 135.00 142.11 2wdl s PRO 86 Ca -0.10 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 2wdl s PRO 86 Cb -0.15 -2.53 0.61 0.00 0.04 0.00 0.00 34.50 32.47 2wdl s PRO 86 CO 0.01 0.21 1.69 1.25 0.04 0.00 0.00 177.00 180.20 2wdl h LEU 87 N 2.51 0.20 -0.56 -3.56 6.46 -0.64 -1.89 115.31 117.84 2wdl h LEU 87 Ca -0.48 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.49 2wdl h LEU 87 Cb 1.18 0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 41.18 2wdl h LEU 87 CO 0.65 -0.01 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.59 2wdl h GLU 88 N 0.36 -0.26 0.00 1.25 5.08 -1.85 0.38 114.58 119.54 2wdl h GLU 88 Ca 0.50 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2wdl h GLU 88 Cb 0.90 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2wdl h GLU 88 CO -0.52 -0.17 0.00 1.63 -1.00 0.00 0.00 179.01 178.95 2wdl n LYS 89 N -5.22 0.08 0.10 2.33 4.76 -0.73 -1.16 118.16 118.32 2wdl n LYS 89 Ca -0.02 0.53 -0.19 0.00 -2.87 0.00 0.00 58.31 55.76 2wdl n LYS 89 Cb 0.30 -1.73 -0.15 0.00 -1.84 0.00 0.00 35.03 31.62 2wdl n LYS 89 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2wdl h MET 90 N 0.00 0.33 0.13 1.97 2.86 -0.06 -3.24 114.93 116.93 2wdl h MET 90 Ca 0.00 -0.57 -0.32 0.00 -2.06 0.00 0.00 59.70 56.75 2wdl h MET 90 Cb 0.06 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2wdl h MET 90 CO 0.00 1.24 -1.61 -0.07 1.06 0.00 0.00 176.91 177.53 2wdl h LEU 91 N 0.09 0.44 0.00 1.22 3.38 -0.54 -2.15 115.31 117.76 2wdl h LEU 91 Ca -0.22 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2wdl h LEU 91 Cb 2.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2wdl h LEU 91 CO 0.20 1.54 0.00 0.00 0.09 0.00 0.00 178.44 180.27 2wdl n ALA 92 N -2.72 1.18 -3.58 1.53 0.00 -0.31 -3.97 120.51 112.64 2wdl n ALA 92 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2wdl n ALA 92 Cb 1.05 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 2wdl n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2wdl s THR 93 N -2.62 -0.01 -0.70 0.00 -1.32 -1.21 -4.98 115.64 104.80 2wdl s THR 93 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2wdl s THR 93 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2wdl s THR 93 CO 0.00 0.00 0.60 1.41 -2.21 0.00 0.00 174.62 174.42 2wdl n HIS 94 N 3.27 -1.39 0.26 9.09 8.25 -1.22 -4.22 115.22 129.26 2wdl n HIS 94 Ca -0.16 0.54 0.14 0.00 -0.26 0.00 0.00 57.72 57.98 2wdl n HIS 94 Cb 0.56 -3.46 0.58 0.00 1.12 0.00 0.00 29.99 28.79 2wdl n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wdl h PRO 95 N -1.26 0.00 0.00 -0.41 0.13 -1.51 -2.04 132.00 126.91 2wdl h PRO 95 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2wdl h PRO 95 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wdl h PRO 95 CO 0.29 0.08 0.00 1.05 -0.23 0.00 0.00 178.00 179.19 2wdl h GLU 96 N 0.00 0.00 0.01 0.86 9.09 -1.88 -2.39 114.58 120.27 2wdl h GLU 96 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.20 2wdl h GLU 96 Cb 0.62 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.69 2wdl h GLU 96 CO 0.01 0.00 -1.01 -0.09 0.05 0.00 0.00 179.01 177.97 2wdl h ARG 97 N 0.00 0.02 -0.99 1.06 2.43 -1.69 -2.54 114.38 112.67 2wdl h ARG 97 Ca 0.00 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2wdl h ARG 97 Cb 0.38 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 2wdl h ARG 97 CO 0.00 1.01 0.63 0.28 -1.51 0.00 0.00 179.97 180.38 2wdl h VAL 98 N 0.00 1.01 0.14 0.20 2.07 -1.50 0.38 116.25 118.57 2wdl h VAL 98 Ca -0.02 -0.37 -0.31 0.00 0.82 0.00 0.00 66.70 66.82 2wdl h VAL 98 Cb 1.77 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2wdl h VAL 98 CO 0.13 0.20 -1.60 0.25 0.02 0.00 0.00 177.57 176.57 2wdl h LEU 99 N 1.09 0.47 -1.41 2.57 7.12 -1.67 -3.08 115.31 120.38 2wdl h LEU 99 Ca 0.46 -0.89 0.21 0.00 0.13 0.00 0.00 57.88 57.79 2wdl h LEU 99 Cb 0.30 -0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 40.20 2wdl h LEU 99 CO -0.21 1.71 0.62 -0.33 -0.13 0.00 0.00 178.44 180.09 2wdl h GLU 100 N -0.12 0.45 0.00 1.25 5.08 -1.07 -1.32 114.58 118.85 2wdl h GLU 100 Ca -0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2wdl h GLU 100 Cb 1.91 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2wdl h GLU 100 CO 0.10 0.30 0.00 1.58 -1.00 0.00 0.00 179.01 179.99 2wdl n HIS 101 N -4.56 0.00 -0.14 4.33 -0.00 0.13 -1.75 115.22 113.23 2wdl n HIS 101 Ca 0.21 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.39 2wdl n HIS 101 Cb 0.71 -0.36 0.03 0.00 -0.12 0.00 0.00 29.99 30.25 2wdl n HIS 101 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wdl n ALA 102 N -1.58 0.00 0.05 1.57 0.00 -0.86 -0.24 120.51 119.45 2wdl n ALA 102 Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 2wdl n ALA 102 Cb 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 2wdl n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdl h VAL 103 N 0.00 1.06 -0.81 0.00 2.07 -1.32 -3.28 116.25 113.98 2wdl h VAL 103 Ca 0.14 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.88 2wdl h VAL 103 Cb 0.23 1.62 -0.14 0.00 -1.52 0.00 0.00 31.29 31.49 2wdl h VAL 103 CO -0.37 0.21 -0.34 0.50 0.02 0.00 0.00 177.57 177.60 2wdl h LYS 104 N -0.62 -0.06 -0.41 1.57 3.64 0.24 0.59 116.57 121.52 2wdl h LYS 104 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wdl h LYS 104 Cb 0.48 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wdl h LYS 104 CO 0.03 -0.04 0.00 0.41 -2.27 0.00 0.00 179.45 177.57 2wdl n GLY 105 N -1.47 0.49 0.00 5.01 0.00 -0.89 -1.67 105.19 106.67 2wdl n GLY 105 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wdl n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdl n MET 106 N 0.06 -0.48 -3.61 1.61 2.81 0.20 -5.05 117.12 112.67 2wdl n MET 106 Ca 0.00 -0.29 -0.20 0.00 -1.81 0.00 0.00 57.70 55.40 2wdl n MET 106 Cb 0.10 -0.77 -0.01 0.00 -0.71 0.00 0.00 33.22 31.84 2wdl n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wdl s LEU 107 N -0.01 4.07 0.77 4.03 1.43 -0.67 -4.99 118.68 123.31 2wdl s LEU 107 Ca 0.00 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 2wdl s LEU 107 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2wdl s LEU 107 CO 0.00 -0.32 0.72 -2.65 0.23 0.00 0.00 176.35 174.33 2wdl n PRO 108 N -1.59 0.25 0.14 1.29 -0.02 -1.26 -4.94 135.00 128.87 2wdl n PRO 108 Ca -0.03 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2wdl n PRO 108 Cb 0.58 -2.02 0.11 0.00 -0.02 0.00 0.00 33.50 32.14 2wdl n PRO 108 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wdl h LYS 109 N -0.59 0.00 0.00 -0.52 1.57 -1.95 -3.37 116.57 111.70 2wdl h LYS 109 Ca -0.46 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.01 2wdl h LYS 109 Cb 1.33 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.79 2wdl h LYS 109 CO 0.43 0.00 0.10 0.41 -0.57 0.00 0.00 179.45 179.82 2wdl n GLY 110 N 1.17 -2.66 0.29 3.86 0.00 -1.26 -4.82 105.19 101.77 2wdl n GLY 110 Ca 0.02 -1.49 0.16 0.00 0.00 0.00 0.00 46.02 44.71 2wdl n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdl h PRO 111 N 0.00 0.00 0.01 1.61 0.11 -1.99 -2.42 132.00 129.32 2wdl h PRO 111 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2wdl h PRO 111 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wdl h PRO 111 CO 0.21 0.05 -0.00 1.25 -0.21 0.00 0.00 178.00 179.30 2wdl h LEU 112 N 0.00 -0.01 -1.34 2.35 5.85 -1.92 -0.44 115.31 119.79 2wdl h LEU 112 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2wdl h LEU 112 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2wdl h LEU 112 CO 0.01 0.51 0.00 1.23 -0.34 0.00 0.00 178.44 179.85 2wdl h GLY 113 N -0.53 0.00 0.82 3.75 0.00 -1.61 0.38 103.07 105.87 2wdl h GLY 113 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2wdl h GLY 113 CO 0.00 0.00 -1.79 -0.09 0.00 0.00 0.00 176.54 174.67 2wdl h ARG 114 N 0.00 0.36 -0.42 4.80 2.43 -1.24 -3.00 114.38 117.30 2wdl h ARG 114 Ca 0.00 -0.61 -0.02 0.00 -0.81 0.00 0.00 59.98 58.54 2wdl h ARG 114 Cb 0.10 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2wdl h ARG 114 CO 0.00 1.29 0.18 -0.09 -1.51 0.00 0.00 179.97 179.84 2wdl h ARG 115 N 0.06 0.62 0.42 0.20 2.43 0.93 -3.07 114.38 115.98 2wdl h ARG 115 Ca -0.36 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2wdl h ARG 115 Cb 2.06 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 2wdl h ARG 115 CO 0.15 0.57 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.90 2wdl h LEU 116 N 0.54 -0.48 0.00 3.80 3.38 -0.52 -2.00 115.31 120.03 2wdl h LEU 116 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wdl h LEU 116 Cb 0.17 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2wdl h LEU 116 CO -0.01 -0.25 0.16 0.33 0.09 0.00 0.00 178.44 178.75 2wdl n PHE 117 N -5.29 0.00 0.12 1.13 7.35 -1.13 0.14 117.46 119.77 2wdl n PHE 117 Ca -0.11 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.36 2wdl n PHE 117 Cb 0.27 -0.34 -0.15 0.00 0.35 0.00 0.00 39.48 39.60 2wdl n PHE 117 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2wdl h LYS 118 N 0.00 0.42 -1.78 -4.13 1.57 -1.26 -3.27 116.57 108.12 2wdl h LYS 118 Ca 0.00 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2wdl h LYS 118 Cb 0.31 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2wdl h LYS 118 CO 0.00 1.33 0.00 0.54 -0.57 0.00 0.00 179.45 180.75 2wdl n ARG 119 N -3.62 0.62 -3.78 3.15 5.12 0.37 -4.58 116.66 113.94 2wdl n ARG 119 Ca -0.17 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.49 2wdl n ARG 119 Cb 1.08 -1.19 -0.17 0.00 -1.16 0.00 0.00 32.46 31.02 2wdl n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wdl s LEU 120 N 0.00 1.16 -0.41 0.55 1.98 -1.23 -2.37 118.68 118.35 2wdl s LEU 120 Ca 0.00 -0.63 -0.00 0.00 -2.89 0.00 0.00 54.13 50.61 2wdl s LEU 120 Cb 0.00 -0.63 0.11 0.00 0.66 0.00 0.00 46.19 46.33 2wdl s LEU 120 CO 0.00 -0.26 0.18 -0.54 -1.89 0.00 0.00 176.35 173.84 2wdl s LYS 121 N 1.83 1.88 -0.34 1.98 3.01 -0.34 -5.03 119.74 122.73 2wdl s LYS 121 Ca 0.01 -1.96 -0.10 0.00 -1.01 0.00 0.00 55.97 52.90 2wdl s LYS 121 Cb -0.16 -3.46 0.01 0.00 -1.01 0.00 0.00 37.83 33.21 2wdl s LYS 121 CO -0.07 -1.04 0.18 0.08 0.51 0.00 0.00 175.35 175.01 2wdl s VAL 122 N 0.85 4.62 -0.07 3.17 1.01 -1.26 -1.53 120.40 127.18 2wdl s VAL 122 Ca 0.11 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2wdl s VAL 122 Cb -0.22 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2wdl s VAL 122 CO -0.05 -0.08 -0.13 -0.31 0.00 0.00 0.00 175.10 174.53 2wdl s TYR 123 N 1.59 2.75 -1.40 5.22 1.51 -0.62 -4.84 117.35 121.57 2wdl s TYR 123 Ca 0.03 -0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 2wdl s TYR 123 Cb -0.18 -1.69 0.07 0.00 -0.11 0.00 0.00 41.96 40.06 2wdl s TYR 123 CO 0.07 0.12 2.42 0.00 -1.11 0.00 0.00 175.55 177.05 2wdl n ALA 124 N 2.55 6.63 -1.68 3.71 0.00 -1.26 -1.42 120.51 129.03 2wdl n ALA 124 Ca -0.17 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2wdl n ALA 124 Cb 0.52 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2wdl n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 125 N 2.57 0.67 1.33 0.00 0.00 -1.26 -4.60 105.19 103.89 2wdl n GLY 125 Ca 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 2wdl n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdl n PRO 126 N 0.00 -0.49 -0.28 1.61 -0.04 -1.26 -4.42 135.00 130.12 2wdl n PRO 126 Ca 0.00 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2wdl n PRO 126 Cb 0.00 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2wdl n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdl n ASP 127 N -1.29 -0.40 -4.28 3.54 9.92 -1.26 -4.63 116.55 118.16 2wdl n ASP 127 Ca 0.03 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.91 2wdl n ASP 127 Cb 0.13 -0.20 -0.12 0.00 -0.64 0.00 0.00 41.12 40.29 2wdl n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2wdl s HIS 128 N 0.00 3.26 -0.23 1.24 -3.43 -1.26 -4.92 115.29 109.94 2wdl s HIS 128 Ca 0.00 -1.40 0.00 0.00 -0.80 0.00 0.00 55.06 52.86 2wdl s HIS 128 Cb 0.00 -2.30 0.00 0.00 -1.43 0.00 0.00 32.58 28.85 2wdl s HIS 128 CO 0.00 -0.73 0.54 -0.35 -2.00 0.00 0.00 174.74 172.21 2wdl n PRO 129 N 4.82 0.00 -4.05 -0.38 -0.04 -1.26 -4.13 135.00 129.95 2wdl n PRO 129 Ca -0.12 0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 2wdl n PRO 129 Cb 0.45 -1.85 -0.15 0.00 -0.04 0.00 0.00 33.50 31.91 2wdl n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2wdl s HIS 130 N -2.09 3.39 -0.63 0.54 -3.43 -1.26 -5.03 115.29 106.78 2wdl s HIS 130 Ca 0.00 -2.49 -0.01 0.00 -0.80 0.00 0.00 55.06 51.77 2wdl s HIS 130 Cb 0.00 -2.18 0.16 0.00 -1.43 0.00 0.00 32.58 29.13 2wdl s HIS 130 CO 0.00 -0.90 0.43 -0.65 -2.00 0.00 0.00 174.74 171.63 2wdl s GLN 131 N 1.05 2.50 -0.13 -0.38 -0.21 -1.26 -4.70 119.66 116.53 2wdl s GLN 131 Ca -0.04 -2.66 -0.02 0.00 0.02 0.00 0.00 55.36 52.66 2wdl s GLN 131 Cb -0.20 -3.65 -0.08 0.00 1.00 0.00 0.00 33.01 30.09 2wdl s GLN 131 CO -0.06 -1.17 -0.14 0.00 -2.12 0.00 0.00 175.29 171.80 2wdl n ALA 132 N 3.22 1.84 -3.00 6.09 0.00 -1.26 -5.09 120.51 122.31 2wdl n ALA 132 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2wdl n ALA 132 Cb 0.36 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wdl n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdl n GLN 133 N -3.13 0.00 0.00 0.00 7.27 -1.26 -5.13 117.38 115.12 2wdl n GLN 133 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.82 2wdl n GLN 133 Cb 0.73 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.38 2wdl n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wdl n ARG 134 N 0.00 0.00 -1.08 3.69 1.85 -1.26 -4.88 116.66 114.97 2wdl n ARG 134 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 2wdl n ARG 134 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2wdl n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wdl n PRO 135 N 0.00 0.03 -1.03 2.89 -0.02 -1.17 -3.98 135.00 131.72 2wdl n PRO 135 Ca 0.00 -0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 60.25 2wdl n PRO 135 Cb 0.00 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.02 2wdl n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wdl n GLU 136 N 6.59 0.00 -4.15 -0.52 2.13 -1.26 -4.42 120.64 119.02 2wdl n GLU 136 Ca 0.27 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.97 2wdl n GLU 136 Cb 0.43 -0.90 -0.10 0.00 0.27 0.00 0.00 31.44 31.13 2wdl n GLU 136 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2wdl s LYS 137 N -1.26 0.77 -0.69 5.31 1.02 -0.89 -4.87 119.74 119.12 2wdl s LYS 137 Ca 0.45 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2wdl s LYS 137 Cb -0.33 -0.30 0.28 0.00 -0.52 0.00 0.00 37.83 36.96 2wdl s LYS 137 CO 0.66 0.02 0.92 1.28 -0.92 0.00 0.00 175.35 177.31 2wdl n LEU 138 N 0.44 4.38 0.00 3.17 4.77 -1.26 -4.64 117.00 123.86 2wdl n LEU 138 Ca -0.15 -5.48 0.00 0.00 -0.03 0.00 0.00 56.01 50.35 2wdl n LEU 138 Cb 0.59 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2wdl n LEU 138 CO 0.27 2.09 0.00 1.21 -1.33 0.00 0.00 177.39 179.63