#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s LYS 2 N 0.00 0.51 -0.51 2.12 3.01 -1.26 -5.03 119.74 118.57 2wdn s LYS 2 Ca 0.00 1.18 0.04 0.00 -1.01 0.00 0.00 55.97 56.19 2wdn s LYS 2 Cb 0.00 0.58 0.40 0.00 -1.01 0.00 0.00 37.83 37.79 2wdn s LYS 2 CO 0.00 -0.35 1.16 2.41 0.51 0.00 0.00 175.35 179.08 2wdn n THR 3 N 5.43 2.71 0.01 2.17 -1.04 -1.26 -4.89 114.28 117.40 2wdn n THR 3 Ca -0.08 -5.06 0.02 0.00 -2.04 0.00 0.00 64.05 56.89 2wdn n THR 3 Cb 0.50 -1.30 0.03 0.00 -1.82 0.00 0.00 70.33 67.73 2wdn n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdn n TYR 4 N -0.42 0.00 0.00 -1.42 0.18 -1.26 -4.71 117.16 109.53 2wdn n TYR 4 Ca 0.39 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.17 2wdn n TYR 4 Cb 0.56 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2wdn n TYR 4 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2wdn n VAL 5 N -1.15 0.00 -0.05 -3.48 3.14 -1.26 -4.97 118.33 110.57 2wdn n VAL 5 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2wdn n VAL 5 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 2wdn n VAL 5 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wdn n PRO 6 N 0.00 1.09 -4.02 1.45 -0.04 -1.26 -5.13 135.00 127.08 2wdn n PRO 6 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2wdn n PRO 6 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2wdn n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wdn s LYS 7 N 0.07 1.13 -0.44 0.54 1.02 -1.26 -5.06 119.74 115.74 2wdn s LYS 7 Ca 0.00 -1.27 -0.25 0.00 0.02 0.00 0.00 55.97 54.47 2wdn s LYS 7 Cb 0.00 0.35 -0.13 0.00 -0.52 0.00 0.00 37.83 37.53 2wdn s LYS 7 CO 0.00 -0.40 1.51 1.04 -0.92 0.00 0.00 175.35 176.58 2wdn n GLN 8 N -0.20 0.00 -3.13 1.68 6.02 -1.26 -4.85 117.38 115.64 2wdn n GLN 8 Ca -0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.62 2wdn n GLN 8 Cb 0.63 -0.96 -0.05 0.00 1.02 0.00 0.00 30.24 30.88 2wdn n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wdn s VAL 9 N 4.59 4.80 -0.50 5.09 1.01 -1.26 -5.03 120.40 129.10 2wdn s VAL 9 Ca 0.81 0.65 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 2wdn s VAL 9 Cb -0.91 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 31.85 2wdn s VAL 9 CO 0.38 -0.28 0.91 -0.70 0.00 0.00 0.00 175.10 175.42 2wdn s GLU 10 N -3.27 3.42 -0.27 2.72 2.56 -1.26 -4.98 118.70 117.61 2wdn s GLU 10 Ca 0.51 -0.07 -0.32 0.00 0.00 0.00 0.00 54.97 55.08 2wdn s GLU 10 Cb -0.10 -3.99 -0.09 0.00 2.00 0.00 0.00 34.13 31.95 2wdn s GLU 10 CO 0.24 -1.32 2.18 -0.35 -0.56 0.00 0.00 175.26 175.44 2wdn n PRO 11 N 7.23 1.52 -2.79 4.30 -0.04 -1.26 -4.95 135.00 139.01 2wdn n PRO 11 Ca 0.04 0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 63.55 2wdn n PRO 11 Cb 0.48 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 2wdn n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wdn s ARG 12 N 6.11 4.61 0.10 0.54 3.52 -1.26 -4.90 118.95 127.68 2wdn s ARG 12 Ca 1.05 1.33 0.03 0.00 -0.13 0.00 0.00 55.73 58.01 2wdn s ARG 12 Cb -0.63 -2.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2wdn s ARG 12 CO 0.44 0.33 0.11 -1.58 -0.81 0.00 0.00 175.30 173.79 2wdn s TRP 13 N -1.54 3.22 -0.01 5.12 0.52 -1.26 -1.82 118.94 123.18 2wdn s TRP 13 Ca 0.48 0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.68 2wdn s TRP 13 Cb -0.20 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 2wdn s TRP 13 CO 0.25 0.53 -0.03 0.08 0.02 0.00 0.00 176.95 177.80 2wdn s VAL 14 N -1.50 0.23 0.15 4.03 1.01 0.44 -3.16 120.40 121.61 2wdn s VAL 14 Ca 0.30 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.25 2wdn s VAL 14 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2wdn s VAL 14 CO 0.23 0.08 0.02 -0.22 0.00 0.00 0.00 175.10 175.21 2wdn s LEU 15 N 0.11 3.42 -0.13 3.92 1.98 -1.25 0.60 118.68 127.33 2wdn s LEU 15 Ca -0.01 -0.30 -0.30 0.00 -2.89 0.00 0.00 54.13 50.63 2wdn s LEU 15 Cb -0.03 -2.09 0.13 0.00 0.66 0.00 0.00 46.19 44.85 2wdn s LEU 15 CO -0.00 0.11 1.02 -0.51 -1.89 0.00 0.00 176.35 175.08 2wdn s ILE 16 N -1.62 0.00 0.00 6.68 2.07 -0.44 -2.11 121.20 125.78 2wdn s ILE 16 Ca 0.27 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2wdn s ILE 16 Cb -0.10 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.49 2wdn s ILE 16 CO 0.19 0.00 0.00 -0.67 -1.91 0.00 0.00 174.94 172.55 2wdn n ASP 17 N 0.36 0.00 -2.00 4.50 4.64 -1.26 -1.47 116.55 121.31 2wdn n ASP 17 Ca -0.08 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.18 2wdn n ASP 17 Cb 0.59 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.62 2wdn n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wdn n ALA 18 N 0.00 5.57 0.00 -1.67 0.00 -1.26 -4.74 120.51 118.42 2wdn n ALA 18 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.70 2wdn n ALA 18 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2wdn n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wdn n GLU 19 N 1.26 0.00 -1.24 0.00 0.28 -1.26 0.21 120.64 119.89 2wdn n GLU 19 Ca 0.32 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 57.08 2wdn n GLU 19 Cb 0.64 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.52 2wdn n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdn n GLY 20 N -0.87 4.57 3.29 -1.84 0.00 -1.26 -1.42 105.19 107.65 2wdn n GLY 20 Ca 0.00 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 2wdn n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdn s LYS 21 N -2.27 1.14 -0.09 1.61 2.20 0.56 -4.56 119.74 118.33 2wdn s LYS 21 Ca 0.47 -1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 2wdn s LYS 21 Cb 0.35 -1.29 -0.03 0.00 -1.51 0.00 0.00 37.83 35.35 2wdn s LYS 21 CO -0.11 0.28 1.37 0.95 -0.36 0.00 0.00 175.35 177.48 2wdn s THR 22 N -1.53 4.00 0.57 3.43 -4.23 -1.26 -0.45 115.64 116.18 2wdn s THR 22 Ca 0.09 1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 61.67 2wdn s THR 22 Cb -0.08 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 2wdn s THR 22 CO 0.05 -0.07 1.25 -1.48 -0.54 0.00 0.00 174.62 173.83 2wdn s LEU 23 N 3.19 3.75 0.00 4.79 2.34 -1.25 -0.32 118.68 131.19 2wdn s LEU 23 Ca 0.61 2.50 0.00 0.00 0.06 0.00 0.00 54.13 57.30 2wdn s LEU 23 Cb -0.27 -4.47 0.00 0.00 -0.56 0.00 0.00 46.19 40.90 2wdn s LEU 23 CO 0.21 -1.55 0.00 0.61 -1.06 0.00 0.00 176.35 174.57 2wdn n GLY 24 N 0.61 2.54 0.20 -3.48 0.00 -1.26 -4.39 105.19 99.41 2wdn n GLY 24 Ca 0.12 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.55 2wdn n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdn h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.81 0.12 114.38 116.76 2wdn h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wdn h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wdn h ARG 25 CO 0.00 0.30 -0.27 1.25 0.56 0.00 0.00 179.97 181.81 2wdn h LEU 26 N 0.00 0.00 -0.87 3.04 5.85 -0.87 -3.41 115.31 119.05 2wdn h LEU 26 Ca -0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2wdn h LEU 26 Cb 0.54 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.43 2wdn h LEU 26 CO 0.04 0.44 -0.33 0.00 -0.34 0.00 0.00 178.44 178.25 2wdn n ALA 27 N -3.02 -0.09 -0.26 1.25 0.00 -1.21 -1.10 120.51 116.09 2wdn n ALA 27 Ca -0.04 0.87 -0.07 0.00 0.00 0.00 0.00 53.44 54.21 2wdn n ALA 27 Cb 0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2wdn n ALA 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wdn n THR 28 N -5.29 -0.42 -0.24 0.00 -1.04 0.40 0.10 114.28 107.79 2wdn n THR 28 Ca 0.09 1.59 -0.00 0.00 -2.04 0.00 0.00 64.05 63.68 2wdn n THR 28 Cb 0.35 -1.97 0.21 0.00 -1.82 0.00 0.00 70.33 67.11 2wdn n THR 28 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2wdn h LYS 29 N 0.00 1.05 0.00 -2.82 1.57 -1.34 0.17 116.57 115.20 2wdn h LYS 29 Ca 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2wdn h LYS 29 Cb 0.25 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2wdn h LYS 29 CO -0.58 0.71 -0.12 0.82 -0.57 0.00 0.00 179.45 179.71 2wdn h ILE 30 N 1.08 0.83 0.00 1.86 2.04 0.85 0.17 117.51 124.34 2wdn h ILE 30 Ca 0.29 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 2wdn h ILE 30 Cb -0.09 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2wdn h ILE 30 CO -0.06 0.11 -0.67 0.00 0.00 0.00 0.00 178.15 177.53 2wdn h ALA 31 N 1.88 0.14 -0.39 1.87 0.00 0.37 -1.37 119.26 121.76 2wdn h ALA 31 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 54.91 54.16 2wdn h ALA 31 Cb 0.24 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2wdn h ALA 31 CO 0.01 0.38 0.38 1.15 0.00 0.00 0.00 179.25 181.17 2wdn h THR 32 N -1.00 0.48 0.17 0.00 2.02 -0.49 0.96 112.91 115.06 2wdn h THR 32 Ca -0.18 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.66 2wdn h THR 32 Cb 1.13 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2wdn h THR 32 CO -0.11 0.00 -1.62 0.25 0.37 0.00 0.00 175.52 174.41 2wdn h LEU 33 N 0.00 0.57 -2.25 2.58 5.85 -0.72 -3.18 115.31 118.16 2wdn h LEU 33 Ca 0.19 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2wdn h LEU 33 Cb 0.94 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2wdn h LEU 33 CO -0.00 1.65 0.00 -0.07 -0.34 0.00 0.00 178.44 179.68 2wdn h LEU 34 N 0.10 0.00 -9.35 2.25 4.07 0.37 -2.94 115.31 109.82 2wdn h LEU 34 Ca -0.29 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.01 2wdn h LEU 34 Cb 2.08 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 43.68 2wdn h LEU 34 CO 0.19 0.00 -0.71 -0.13 -1.08 0.00 0.00 178.44 176.71 2wdn s ARG 35 N -3.88 2.32 -0.85 1.13 0.52 -0.95 -3.88 118.95 113.35 2wdn s ARG 35 Ca -0.03 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 54.15 2wdn s ARG 35 Cb 0.11 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 33.09 2wdn s ARG 35 CO 0.37 0.53 2.03 0.41 0.02 0.00 0.00 175.30 178.66 2wdn n GLY 36 N 0.68 2.94 0.14 -3.53 0.00 -1.26 -4.36 105.19 99.80 2wdn n GLY 36 Ca -0.12 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.01 2wdn n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdn h LYS 37 N 6.78 0.00 0.07 1.61 1.63 -1.83 -3.33 116.57 121.50 2wdn h LYS 37 Ca 0.46 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 60.00 2wdn h LYS 37 Cb 0.29 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2wdn h LYS 37 CO 1.57 0.26 -1.42 1.12 -3.45 0.00 0.00 179.45 177.53 2wdn h HIS 38 N 0.00 0.25 -3.20 1.91 2.07 -1.76 -3.47 115.15 110.95 2wdn h HIS 38 Ca -0.05 -0.18 -0.53 0.00 -2.85 0.00 0.00 60.37 56.76 2wdn h HIS 38 Cb 1.30 -0.01 0.04 0.00 2.57 0.00 0.00 27.41 31.31 2wdn h HIS 38 CO 0.00 1.56 0.75 -0.98 -3.07 0.00 0.00 177.93 176.18 2wdn s ARG 39 N -2.44 4.30 0.00 5.12 1.70 -1.26 -4.86 118.95 121.51 2wdn s ARG 39 Ca -0.24 2.20 0.00 0.00 -0.47 0.00 0.00 55.73 57.22 2wdn s ARG 39 Cb 0.05 -3.17 0.00 0.00 -0.57 0.00 0.00 34.95 31.26 2wdn s ARG 39 CO 0.69 -0.41 0.21 -0.35 -1.08 0.00 0.00 175.30 174.36 2wdn n PRO 40 N 3.03 0.36 -0.01 3.89 -0.04 -1.26 -2.20 135.00 138.77 2wdn n PRO 40 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2wdn n PRO 40 Cb 0.41 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.59 2wdn n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdn n ASP 41 N 0.17 1.80 0.00 3.54 9.92 -1.26 -5.03 116.55 125.69 2wdn n ASP 41 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2wdn n ASP 41 Cb 0.07 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 2wdn n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2wdn n TRP 42 N -3.36 0.00 -3.53 1.24 -0.00 -0.93 -4.69 117.44 106.16 2wdn n TRP 42 Ca -0.29 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 56.92 2wdn n TRP 42 Cb 1.05 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 32.22 2wdn n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2wdn s THR 43 N 0.00 0.11 0.17 5.87 2.01 -1.26 -5.02 115.64 117.52 2wdn s THR 43 Ca 0.00 -1.19 0.10 0.00 0.31 0.00 0.00 61.69 60.91 2wdn s THR 43 Cb 0.00 -1.10 0.10 0.00 0.01 0.00 0.00 72.50 71.51 2wdn s THR 43 CO 0.00 -0.82 1.17 1.55 -0.69 0.00 0.00 174.62 175.83 2wdn h PRO 44 N 7.85 0.00 -0.15 4.92 0.13 -1.96 -1.79 132.00 141.00 2wdn h PRO 44 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2wdn h PRO 44 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wdn h PRO 44 CO 0.38 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.42 2wdn n ASN 45 N -2.03 2.92 0.00 1.44 0.23 -1.26 -4.76 115.26 111.80 2wdn n ASN 45 Ca -0.01 -2.68 0.00 0.00 -0.53 0.00 0.00 54.58 51.36 2wdn n ASN 45 Cb 0.47 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 2wdn n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2wdn n VAL 46 N -0.61 0.00 -1.91 3.53 3.14 -0.67 -5.11 118.33 116.70 2wdn n VAL 46 Ca 0.14 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.50 2wdn n VAL 46 Cb 0.62 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 2wdn n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdn n ALA 47 N -1.35 -2.92 -1.10 1.55 0.00 -1.24 -4.97 120.51 110.47 2wdn n ALA 47 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.85 2wdn n ALA 47 Cb 0.28 -1.11 0.22 0.00 0.00 0.00 0.00 19.45 18.83 2wdn n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdn n MET 48 N -0.50 2.27 -1.11 0.00 0.00 -1.26 -5.01 117.12 111.51 2wdn n MET 48 Ca 0.03 -2.84 -0.31 0.00 0.00 0.00 0.00 57.70 54.59 2wdn n MET 48 Cb 0.17 -1.74 0.11 0.00 0.00 0.00 0.00 33.22 31.76 2wdn n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wdn s GLY 49 N -2.33 1.75 0.87 3.17 0.00 -1.25 -4.46 107.32 105.07 2wdn s GLY 49 Ca 0.40 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.43 2wdn s GLY 49 CO 0.05 0.81 1.10 0.99 0.00 0.00 0.00 173.10 176.05 2wdn s ASP 50 N -3.02 3.83 -0.25 1.64 1.01 -1.11 -4.80 116.67 113.97 2wdn s ASP 50 Ca 0.64 1.28 -0.13 0.00 0.71 0.00 0.00 52.55 55.05 2wdn s ASP 50 Cb -0.20 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 2wdn s ASP 50 CO 0.55 -2.39 0.28 -0.36 0.21 0.00 0.00 175.17 173.47 2wdn s PHE 51 N -3.10 3.29 -0.14 4.23 0.40 -0.76 -4.58 117.98 117.33 2wdn s PHE 51 Ca 0.63 0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 57.27 2wdn s PHE 51 Cb -0.16 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 2wdn s PHE 51 CO 0.55 -0.07 -0.01 0.08 0.70 0.00 0.00 175.22 176.47 2wdn s VAL 52 N 1.52 4.18 -0.20 -0.44 1.01 -0.97 -0.42 120.40 125.08 2wdn s VAL 52 Ca 0.12 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2wdn s VAL 52 Cb -0.15 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2wdn s VAL 52 CO 0.08 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.85 2wdn s VAL 53 N 0.02 2.00 -0.25 2.92 1.01 0.20 -1.01 120.40 125.28 2wdn s VAL 53 Ca 0.02 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 2wdn s VAL 53 Cb -0.13 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2wdn s VAL 53 CO 0.02 0.34 0.21 -0.69 0.00 0.00 0.00 175.10 174.98 2wdn s VAL 54 N 1.27 5.32 0.65 2.92 1.01 -0.54 -1.32 120.40 129.70 2wdn s VAL 54 Ca 0.01 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2wdn s VAL 54 Cb -0.15 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.79 2wdn s VAL 54 CO -0.10 0.30 0.90 0.54 0.00 0.00 0.00 175.10 176.73 2wdn s VAL 55 N 1.34 2.11 -0.16 2.92 0.11 -0.54 -1.50 120.40 124.68 2wdn s VAL 55 Ca 0.09 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2wdn s VAL 55 Cb -0.14 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 2wdn s VAL 55 CO 0.07 0.00 0.11 -3.20 -3.33 0.00 0.00 175.10 168.75 2wdn n ASN 56 N -2.55 -0.81 -0.33 3.54 4.05 -1.20 -4.70 115.26 113.27 2wdn n ASN 56 Ca 0.16 -0.18 0.00 0.00 0.45 0.00 0.00 54.58 55.00 2wdn n ASN 56 Cb 0.61 -0.28 0.00 0.00 1.23 0.00 0.00 39.78 41.35 2wdn n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wdn n ALA 57 N -1.03 0.00 0.00 5.20 0.00 -0.34 -4.65 120.51 119.69 2wdn n ALA 57 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wdn n ALA 57 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2wdn n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdn n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.39 116.55 116.64 2wdn n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wdn n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wdn n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wdn n LYS 59 N 0.00 0.00 -1.12 0.11 4.76 -1.26 -4.84 118.16 115.80 2wdn n LYS 59 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2wdn n LYS 59 Cb 0.00 -1.14 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 2wdn n LYS 59 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2wdn n ILE 60 N 0.00 0.81 -1.63 -0.18 -5.35 -0.51 -4.58 119.36 107.93 2wdn n ILE 60 Ca 0.00 -0.20 -0.31 0.00 -0.27 0.00 0.00 62.75 61.97 2wdn n ILE 60 Cb 0.00 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 37.96 2wdn n ILE 60 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2wdn s ARG 61 N -0.41 2.69 -0.22 6.28 1.81 0.41 -4.85 118.95 124.65 2wdn s ARG 61 Ca 0.59 0.77 -0.04 0.00 -1.72 0.00 0.00 55.73 55.34 2wdn s ARG 61 Cb -0.85 -1.98 0.12 0.00 -0.45 0.00 0.00 34.95 31.80 2wdn s ARG 61 CO 0.44 -1.23 0.35 0.54 -0.68 0.00 0.00 175.30 174.72 2wdn s VAL 62 N -3.13 -0.55 1.00 3.52 0.11 -1.26 -3.77 120.40 116.31 2wdn s VAL 62 Ca 0.59 -0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 2wdn s VAL 62 Cb -0.14 -0.75 0.19 0.00 -1.53 0.00 0.00 36.38 34.16 2wdn s VAL 62 CO 0.54 -0.09 1.08 -0.89 -3.33 0.00 0.00 175.10 172.41 2wdn s THR 63 N 2.51 2.30 0.01 5.04 2.01 -1.26 -4.70 115.64 121.55 2wdn s THR 63 Ca 0.09 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2wdn s THR 63 Cb -0.15 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2wdn s THR 63 CO -0.14 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 2wdn n GLY 64 N -0.29 -0.35 3.24 4.40 0.00 -1.26 -3.40 105.19 107.53 2wdn n GLY 64 Ca 0.06 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2wdn n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdn n LYS 65 N -0.79 3.42 -0.03 1.61 2.85 -1.26 -4.65 118.16 119.31 2wdn n LYS 65 Ca 0.00 -3.65 0.13 0.00 -1.05 0.00 0.00 58.31 53.74 2wdn n LYS 65 Cb 0.02 -3.05 0.42 0.00 -0.65 0.00 0.00 35.03 31.78 2wdn n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wdn n LYS 66 N 5.26 1.79 -3.51 -1.58 5.02 -1.22 -4.03 118.16 119.89 2wdn n LYS 66 Ca 0.39 -1.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.14 2wdn n LYS 66 Cb 0.41 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 2wdn n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wdn s LEU 67 N -1.86 4.16 0.00 -0.35 1.43 -1.26 -1.60 118.68 119.21 2wdn s LEU 67 Ca 0.35 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2wdn s LEU 67 Cb 0.20 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2wdn s LEU 67 CO 0.31 0.01 0.00 -0.62 0.23 0.00 0.00 176.35 176.28 2wdn n GLU 68 N 4.19 0.00 -0.07 1.70 -0.58 -1.26 -4.70 120.64 119.91 2wdn n GLU 68 Ca -0.11 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.41 2wdn n GLU 68 Cb 0.52 -0.72 -0.12 0.00 -0.57 0.00 0.00 31.44 30.54 2wdn n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wdn n GLN 69 N -1.69 0.67 -2.41 3.49 1.13 -1.24 -4.81 117.38 112.51 2wdn n GLN 69 Ca 0.00 0.32 -0.43 0.00 -1.94 0.00 0.00 57.00 54.96 2wdn n GLN 69 Cb 0.00 -1.65 -0.02 0.00 0.11 0.00 0.00 30.24 28.67 2wdn n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wdn s LYS 70 N -2.49 4.02 -0.10 -1.09 2.47 -0.62 -4.98 119.74 116.95 2wdn s LYS 70 Ca -0.29 1.42 0.03 0.00 -1.56 0.00 0.00 55.97 55.57 2wdn s LYS 70 Cb 0.08 -3.85 -0.01 0.00 -1.46 0.00 0.00 37.83 32.60 2wdn s LYS 70 CO 0.65 -0.98 -0.22 0.42 0.16 0.00 0.00 175.35 175.39 2wdn s ILE 71 N 4.10 2.29 0.15 5.43 1.01 -1.26 -0.11 121.20 132.81 2wdn s ILE 71 Ca 0.56 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 2wdn s ILE 71 Cb -0.19 -1.89 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 2wdn s ILE 71 CO 0.20 0.56 0.41 -0.31 0.00 0.00 0.00 174.94 175.80 2wdn s TYR 72 N 0.24 3.48 0.00 3.97 1.51 0.93 -4.89 117.35 122.59 2wdn s TYR 72 Ca -0.14 0.65 0.08 0.00 -1.01 0.00 0.00 57.07 56.65 2wdn s TYR 72 Cb -0.17 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2wdn s TYR 72 CO 0.07 0.42 -0.25 0.99 -1.11 0.00 0.00 175.55 175.67 2wdn s THR 73 N -1.64 2.18 -0.03 -0.71 2.01 -1.26 -1.17 115.64 115.01 2wdn s THR 73 Ca 0.41 -1.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 2wdn s THR 73 Cb -0.12 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.62 2wdn s THR 73 CO 0.23 0.51 0.02 -0.13 -0.69 0.00 0.00 174.62 174.56 2wdn s ARG 74 N -0.84 0.14 -0.32 4.92 0.52 -0.68 -4.98 118.95 117.70 2wdn s ARG 74 Ca 0.11 0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 2wdn s ARG 74 Cb -0.10 -0.44 0.09 0.00 0.52 0.00 0.00 34.95 35.02 2wdn s ARG 74 CO 0.00 -0.19 0.02 -0.47 0.02 0.00 0.00 175.30 174.69 2wdn s TYR 75 N 1.28 3.64 0.16 -0.53 5.04 -1.26 0.84 117.35 126.53 2wdn s TYR 75 Ca -0.06 -2.81 -0.30 0.00 -2.44 0.00 0.00 57.07 51.46 2wdn s TYR 75 Cb -0.13 -2.71 -0.07 0.00 0.35 0.00 0.00 41.96 39.40 2wdn s TYR 75 CO -0.03 -0.93 1.07 -1.54 -1.34 0.00 0.00 175.55 172.79 2wdn s SER 76 N 1.00 7.31 0.00 4.32 1.04 -0.80 -4.86 113.70 121.71 2wdn s SER 76 Ca 0.06 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2wdn s SER 76 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2wdn s SER 76 CO -0.07 -0.19 0.51 0.61 0.98 0.00 0.00 173.24 175.08 2wdn n GLY 77 N 2.10 -0.06 3.86 7.32 0.00 -1.26 -4.52 105.19 112.62 2wdn n GLY 77 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2wdn n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdn s TYR 78 N -2.03 3.39 0.03 1.61 1.51 -1.26 -4.97 117.35 115.62 2wdn s TYR 78 Ca 0.00 1.22 -0.30 0.00 -1.01 0.00 0.00 57.07 56.98 2wdn s TYR 78 Cb 0.00 -2.89 -0.08 0.00 -0.11 0.00 0.00 41.96 38.88 2wdn s TYR 78 CO 0.00 -1.02 1.78 -2.14 -1.11 0.00 0.00 175.55 173.06 2wdn s PRO 79 N -5.21 4.17 -1.22 -1.71 0.02 -1.26 -0.97 135.00 128.82 2wdn s PRO 79 Ca 0.57 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.00 2wdn s PRO 79 Cb -0.12 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.50 2wdn s PRO 79 CO 0.53 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2wdn n GLY 80 N 4.24 0.60 1.40 0.52 0.00 -1.26 -4.88 105.19 105.81 2wdn n GLY 80 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 2wdn n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 81 N -1.22 2.80 3.61 -0.02 0.00 -0.14 -4.87 105.19 105.36 2wdn n GLY 81 Ca -0.14 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2wdn n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdn s LEU 82 N -1.24 4.10 -0.21 0.99 2.96 -1.26 -1.91 118.68 122.10 2wdn s LEU 82 Ca 0.22 0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 54.52 2wdn s LEU 82 Cb 0.18 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2wdn s LEU 82 CO 0.05 -0.38 0.30 -0.54 -1.32 0.00 0.00 176.35 174.45 2wdn s LYS 83 N 2.47 4.15 -0.28 1.98 -0.14 0.25 -4.96 119.74 123.20 2wdn s LYS 83 Ca 0.24 0.02 -0.04 0.00 -1.36 0.00 0.00 55.97 54.83 2wdn s LYS 83 Cb -0.15 -3.52 0.02 0.00 -1.68 0.00 0.00 37.83 32.50 2wdn s LYS 83 CO 0.10 0.04 0.02 0.15 -0.76 0.00 0.00 175.35 174.90 2wdn s LYS 84 N 1.08 2.87 -0.10 1.68 1.02 -1.26 -1.69 119.74 123.34 2wdn s LYS 84 Ca 0.15 -0.98 0.02 0.00 0.02 0.00 0.00 55.97 55.17 2wdn s LYS 84 Cb -0.14 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2wdn s LYS 84 CO 0.06 -0.47 -0.15 0.42 -0.92 0.00 0.00 175.35 174.29 2wdn s ILE 85 N 1.40 1.42 0.31 2.17 1.01 -0.32 -4.96 121.20 122.23 2wdn s ILE 85 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 2wdn s ILE 85 Cb -0.18 -1.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 2wdn s ILE 85 CO -0.00 0.42 0.76 -2.16 0.00 0.00 0.00 174.94 173.96 2wdn s PRO 86 N 0.92 4.09 0.28 2.79 0.04 -1.26 0.31 135.00 142.17 2wdn s PRO 86 Ca -0.09 0.77 0.03 0.00 0.04 0.00 0.00 61.00 61.75 2wdn s PRO 86 Cb -0.15 -2.50 0.69 0.00 0.04 0.00 0.00 34.50 32.57 2wdn s PRO 86 CO -0.00 0.19 1.71 1.25 0.04 0.00 0.00 177.00 180.18 2wdn h LEU 87 N 2.47 0.36 -0.43 -3.56 6.46 -0.75 -1.84 115.31 118.02 2wdn h LEU 87 Ca -0.48 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.48 2wdn h LEU 87 Cb 1.18 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 41.14 2wdn h LEU 87 CO 0.65 0.04 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.63 2wdn h GLU 88 N 0.44 -0.36 0.00 1.25 5.08 -1.85 0.39 114.58 119.52 2wdn h GLU 88 Ca 0.54 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 2wdn h GLU 88 Cb 0.98 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2wdn h GLU 88 CO -0.50 -0.24 0.00 1.63 -1.00 0.00 0.00 179.01 178.90 2wdn n LYS 89 N -5.38 0.06 0.10 2.33 4.76 -0.71 -1.13 118.16 118.20 2wdn n LYS 89 Ca -0.03 0.50 -0.19 0.00 -2.87 0.00 0.00 58.31 55.71 2wdn n LYS 89 Cb 0.34 -1.68 -0.15 0.00 -1.84 0.00 0.00 35.03 31.70 2wdn n LYS 89 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2wdn h MET 90 N 0.00 0.35 0.14 1.97 2.86 -0.03 -3.24 114.93 116.98 2wdn h MET 90 Ca 0.00 -0.61 -0.32 0.00 -2.06 0.00 0.00 59.70 56.71 2wdn h MET 90 Cb 0.08 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2wdn h MET 90 CO 0.00 1.26 -1.64 -0.07 1.06 0.00 0.00 176.91 177.53 2wdn h LEU 91 N 0.10 0.45 0.00 1.22 3.38 -0.67 -2.08 115.31 117.70 2wdn h LEU 91 Ca -0.22 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2wdn h LEU 91 Cb 2.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2wdn h LEU 91 CO 0.21 1.56 0.01 0.00 0.09 0.00 0.00 178.44 180.31 2wdn n ALA 92 N -2.74 1.20 0.00 1.53 0.00 -0.28 -3.97 120.51 116.24 2wdn n ALA 92 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2wdn n ALA 92 Cb 1.06 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2wdn n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wdn n THR 93 N -1.27 0.00 -2.87 0.00 5.66 -1.22 -4.99 114.28 109.60 2wdn n THR 93 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2wdn n THR 93 Cb 0.01 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.83 2wdn n THR 93 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2wdn n HIS 94 N 0.00 -1.24 0.25 1.09 8.25 -1.22 -4.22 115.22 118.13 2wdn n HIS 94 Ca 0.00 0.48 0.13 0.00 -0.26 0.00 0.00 57.72 58.07 2wdn n HIS 94 Cb 0.00 -3.24 0.56 0.00 1.12 0.00 0.00 29.99 28.43 2wdn n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wdn h PRO 95 N -1.13 0.00 0.00 -0.41 0.13 -1.50 -2.25 132.00 126.85 2wdn h PRO 95 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2wdn h PRO 95 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wdn h PRO 95 CO 0.26 0.12 0.00 1.05 -0.23 0.00 0.00 178.00 179.20 2wdn h GLU 96 N 0.00 0.00 0.05 0.86 9.09 -1.88 -2.39 114.58 120.31 2wdn h GLU 96 Ca -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.18 2wdn h GLU 96 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.72 2wdn h GLU 96 CO 0.02 0.00 -1.08 -0.09 0.05 0.00 0.00 179.01 177.91 2wdn h ARG 97 N 0.00 0.12 -0.97 1.06 2.43 -1.73 -2.52 114.38 112.78 2wdn h ARG 97 Ca 0.00 -0.20 0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2wdn h ARG 97 Cb 0.36 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 2wdn h ARG 97 CO 0.00 1.08 0.62 0.28 -1.51 0.00 0.00 179.97 180.43 2wdn h VAL 98 N 0.04 0.91 0.15 0.20 2.07 -1.50 0.51 116.25 118.62 2wdn h VAL 98 Ca -0.06 -0.32 -0.36 0.00 0.82 0.00 0.00 66.70 66.78 2wdn h VAL 98 Cb 1.82 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2wdn h VAL 98 CO 0.16 0.17 -1.90 0.25 0.02 0.00 0.00 177.57 176.27 2wdn h LEU 99 N 0.93 0.49 -1.25 2.57 7.12 -1.68 -3.11 115.31 120.38 2wdn h LEU 99 Ca 0.48 -0.95 0.19 0.00 0.13 0.00 0.00 57.88 57.74 2wdn h LEU 99 Cb 0.53 -0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 40.42 2wdn h LEU 99 CO -0.25 1.83 0.61 -0.33 -0.13 0.00 0.00 178.44 180.17 2wdn h GLU 100 N 0.07 0.59 0.00 1.25 5.08 -0.95 -1.18 114.58 119.44 2wdn h GLU 100 Ca -0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2wdn h GLU 100 Cb 2.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2wdn h GLU 100 CO 0.12 0.39 0.00 1.58 -1.00 0.00 0.00 179.01 180.10 2wdn n HIS 101 N -4.63 0.00 -0.14 4.33 -0.00 0.17 -1.56 115.22 113.40 2wdn n HIS 101 Ca 0.21 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.40 2wdn n HIS 101 Cb 0.62 -0.32 0.04 0.00 -0.12 0.00 0.00 29.99 30.21 2wdn n HIS 101 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wdn n ALA 102 N -1.45 0.03 0.04 1.57 0.00 -0.90 -0.05 120.51 119.76 2wdn n ALA 102 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 2wdn n ALA 102 Cb 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 2wdn n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdn h VAL 103 N 0.00 1.08 -0.86 0.00 2.07 -1.27 -3.28 116.25 113.99 2wdn h VAL 103 Ca 0.16 -1.04 0.15 0.00 0.82 0.00 0.00 66.70 66.79 2wdn h VAL 103 Cb 0.25 1.70 -0.15 0.00 -1.52 0.00 0.00 31.29 31.57 2wdn h VAL 103 CO -0.37 0.24 -0.32 0.50 0.02 0.00 0.00 177.57 177.63 2wdn h LYS 104 N -0.67 -0.04 -0.41 1.57 3.64 0.58 0.78 116.57 122.02 2wdn h LYS 104 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wdn h LYS 104 Cb 0.51 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2wdn h LYS 104 CO 0.03 -0.03 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 2wdn n GLY 105 N -1.49 0.50 0.00 5.01 0.00 -0.85 -1.64 105.19 106.72 2wdn n GLY 105 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2wdn n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdn n MET 106 N 0.06 -0.37 -3.80 1.61 2.81 0.27 -5.06 117.12 112.65 2wdn n MET 106 Ca 0.00 -0.31 -0.21 0.00 -1.81 0.00 0.00 57.70 55.37 2wdn n MET 106 Cb 0.10 -0.76 -0.02 0.00 -0.71 0.00 0.00 33.22 31.84 2wdn n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wdn s LEU 107 N -0.04 4.22 0.81 4.03 1.43 -0.65 -4.99 118.68 123.49 2wdn s LEU 107 Ca 0.00 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 2wdn s LEU 107 Cb 0.00 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 2wdn s LEU 107 CO 0.00 -0.17 0.54 -2.65 0.23 0.00 0.00 176.35 174.30 2wdn n PRO 108 N -1.51 0.09 0.14 1.29 -0.02 -1.26 -4.93 135.00 128.80 2wdn n PRO 108 Ca -0.07 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.61 2wdn n PRO 108 Cb 0.57 -1.89 0.08 0.00 -0.02 0.00 0.00 33.50 32.23 2wdn n PRO 108 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wdn h LYS 109 N -0.83 0.00 0.00 -0.52 1.57 -1.95 -3.37 116.57 111.46 2wdn h LYS 109 Ca -0.45 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.02 2wdn h LYS 109 Cb 1.32 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.79 2wdn h LYS 109 CO 0.40 0.00 0.09 0.41 -0.57 0.00 0.00 179.45 179.78 2wdn n GLY 110 N 1.16 -2.70 0.28 3.86 0.00 -1.26 -4.82 105.19 101.72 2wdn n GLY 110 Ca 0.02 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.70 2wdn n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdn h PRO 111 N 0.00 0.00 -0.02 1.61 0.11 -1.99 -2.49 132.00 129.22 2wdn h PRO 111 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2wdn h PRO 111 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2wdn h PRO 111 CO 0.21 0.06 -0.02 1.25 -0.21 0.00 0.00 178.00 179.29 2wdn h LEU 112 N 0.00 0.05 -1.20 2.35 5.85 -1.93 -0.34 115.31 120.10 2wdn h LEU 112 Ca -0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2wdn h LEU 112 Cb 0.18 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2wdn h LEU 112 CO 0.01 0.52 0.00 0.61 -0.34 0.00 0.00 178.44 179.24 2wdn n GLY 113 N 0.20 -0.99 0.14 3.75 0.00 -0.97 0.18 105.19 107.50 2wdn n GLY 113 Ca -0.08 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2wdn n GLY 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wdn h ARG 114 N 0.00 0.36 -0.46 1.61 2.43 -1.12 -2.97 114.38 114.22 2wdn h ARG 114 Ca 0.00 -0.61 -0.03 0.00 -0.81 0.00 0.00 59.98 58.53 2wdn h ARG 114 Cb 0.11 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2wdn h ARG 114 CO 0.00 1.29 0.19 -0.09 -1.51 0.00 0.00 179.97 179.85 2wdn h ARG 115 N 0.04 0.69 0.35 0.20 2.43 0.88 -3.07 114.38 115.90 2wdn h ARG 115 Ca -0.35 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2wdn h ARG 115 Cb 2.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 2wdn h ARG 115 CO 0.15 0.62 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.99 2wdn h LEU 116 N 0.60 -0.40 -0.13 3.80 3.38 -0.39 -2.10 115.31 120.07 2wdn h LEU 116 Ca 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wdn h LEU 116 Cb 0.19 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wdn h LEU 116 CO -0.01 -0.19 0.14 0.33 0.09 0.00 0.00 178.44 178.80 2wdn n PHE 117 N -5.24 0.07 0.13 1.13 7.35 -1.12 0.13 117.46 119.91 2wdn n PHE 117 Ca -0.10 0.04 -0.24 0.00 -0.76 0.00 0.00 57.45 56.38 2wdn n PHE 117 Cb 0.23 -0.43 -0.16 0.00 0.35 0.00 0.00 39.48 39.48 2wdn n PHE 117 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2wdn h LYS 118 N 0.00 0.50 -1.75 -4.13 1.57 -1.28 -3.25 116.57 108.23 2wdn h LYS 118 Ca 0.00 -0.86 0.00 0.00 -1.87 0.00 0.00 60.65 57.92 2wdn h LYS 118 Cb 0.28 0.32 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2wdn h LYS 118 CO 0.00 1.41 0.00 0.54 -0.57 0.00 0.00 179.45 180.83 2wdn n ARG 119 N -3.68 0.57 -3.81 3.15 5.12 0.34 -4.58 116.66 113.76 2wdn n ARG 119 Ca -0.17 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.47 2wdn n ARG 119 Cb 1.10 -1.22 -0.17 0.00 -1.16 0.00 0.00 32.46 31.01 2wdn n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wdn s LEU 120 N 0.00 1.34 -0.41 0.55 1.98 -1.23 -2.28 118.68 118.63 2wdn s LEU 120 Ca 0.00 -0.67 -0.00 0.00 -2.89 0.00 0.00 54.13 50.57 2wdn s LEU 120 Cb 0.00 -0.73 0.11 0.00 0.66 0.00 0.00 46.19 46.24 2wdn s LEU 120 CO 0.00 -0.24 0.18 -0.54 -1.89 0.00 0.00 176.35 173.86 2wdn s LYS 121 N 1.76 1.89 -0.33 1.98 3.01 -0.18 -5.03 119.74 122.84 2wdn s LYS 121 Ca 0.00 -1.95 -0.10 0.00 -1.01 0.00 0.00 55.97 52.92 2wdn s LYS 121 Cb -0.16 -3.47 0.01 0.00 -1.01 0.00 0.00 37.83 33.21 2wdn s LYS 121 CO -0.07 -1.04 0.16 0.08 0.51 0.00 0.00 175.35 174.98 2wdn s VAL 122 N 0.87 4.47 -0.08 3.17 1.01 -1.26 -1.47 120.40 127.11 2wdn s VAL 122 Ca 0.10 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2wdn s VAL 122 Cb -0.22 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2wdn s VAL 122 CO -0.05 -0.04 -0.14 -0.31 0.00 0.00 0.00 175.10 174.56 2wdn s TYR 123 N 1.57 2.75 -1.41 5.22 1.51 -0.56 -4.84 117.35 121.59 2wdn s TYR 123 Ca 0.03 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 2wdn s TYR 123 Cb -0.18 -1.70 0.07 0.00 -0.11 0.00 0.00 41.96 40.04 2wdn s TYR 123 CO 0.06 0.07 2.38 0.00 -1.11 0.00 0.00 175.55 176.95 2wdn n ALA 124 N 2.68 6.46 -1.75 3.71 0.00 -1.26 -1.20 120.51 129.14 2wdn n ALA 124 Ca -0.17 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2wdn n ALA 124 Cb 0.52 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.89 2wdn n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdn n GLY 125 N 2.80 0.58 1.21 0.00 0.00 -1.26 -4.60 105.19 103.92 2wdn n GLY 125 Ca 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 2wdn n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdn n PRO 126 N 0.00 -0.50 -0.28 1.61 -0.04 -1.26 -4.43 135.00 130.10 2wdn n PRO 126 Ca 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2wdn n PRO 126 Cb 0.00 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2wdn n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdn n ASP 127 N -1.37 -0.37 -4.27 3.54 9.92 -1.26 -4.62 116.55 118.11 2wdn n ASP 127 Ca 0.03 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.90 2wdn n ASP 127 Cb 0.12 -0.18 -0.12 0.00 -0.64 0.00 0.00 41.12 40.30 2wdn n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2wdn s HIS 128 N 0.00 3.29 -0.17 1.24 -3.43 -1.26 -4.92 115.29 110.04 2wdn s HIS 128 Ca 0.00 -1.46 0.00 0.00 -0.80 0.00 0.00 55.06 52.80 2wdn s HIS 128 Cb 0.00 -2.50 0.00 0.00 -1.43 0.00 0.00 32.58 28.65 2wdn s HIS 128 CO 0.00 -0.76 0.53 -0.35 -2.00 0.00 0.00 174.74 172.15 2wdn n PRO 129 N 4.84 0.00 -4.04 -0.38 -0.04 -1.26 -4.13 135.00 129.99 2wdn n PRO 129 Ca -0.11 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.09 2wdn n PRO 129 Cb 0.44 -1.88 -0.15 0.00 -0.04 0.00 0.00 33.50 31.87 2wdn n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2wdn s HIS 130 N -2.05 3.36 -0.63 0.54 -3.43 -1.26 -5.03 115.29 106.79 2wdn s HIS 130 Ca 0.00 -2.40 -0.00 0.00 -0.80 0.00 0.00 55.06 51.86 2wdn s HIS 130 Cb 0.00 -2.13 0.16 0.00 -1.43 0.00 0.00 32.58 29.17 2wdn s HIS 130 CO 0.00 -0.89 0.42 -0.65 -2.00 0.00 0.00 174.74 171.63 2wdn s GLN 131 N 1.08 2.46 -0.14 -0.38 -0.21 -1.26 -4.71 119.66 116.50 2wdn s GLN 131 Ca -0.05 -2.69 -0.01 0.00 0.02 0.00 0.00 55.36 52.64 2wdn s GLN 131 Cb -0.20 -3.62 -0.08 0.00 1.00 0.00 0.00 33.01 30.11 2wdn s GLN 131 CO -0.05 -1.17 -0.13 0.00 -2.12 0.00 0.00 175.29 171.81 2wdn n ALA 132 N 3.16 1.77 -3.00 6.09 0.00 -1.26 -5.09 120.51 122.18 2wdn n ALA 132 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2wdn n ALA 132 Cb 0.36 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2wdn n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdn n GLN 133 N -3.05 0.00 0.00 0.00 7.27 -1.26 -5.13 117.38 115.21 2wdn n GLN 133 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.82 2wdn n GLN 133 Cb 0.75 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.40 2wdn n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wdn n ARG 134 N 0.00 0.00 -1.02 3.69 1.85 -1.26 -4.89 116.66 115.03 2wdn n ARG 134 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 2wdn n ARG 134 Cb 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 2wdn n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wdn n PRO 135 N 0.00 0.03 -0.99 2.89 -0.02 -1.19 -3.95 135.00 131.77 2wdn n PRO 135 Ca 0.00 -0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 60.35 2wdn n PRO 135 Cb 0.00 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.17 2wdn n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wdn n GLU 136 N 6.42 0.00 -4.14 -0.52 2.13 -1.26 -4.42 120.64 118.85 2wdn n GLU 136 Ca 0.26 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.97 2wdn n GLU 136 Cb 0.42 -0.87 -0.10 0.00 0.27 0.00 0.00 31.44 31.15 2wdn n GLU 136 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2wdn s LYS 137 N -1.25 0.74 -0.68 5.31 1.02 -0.90 -4.87 119.74 119.11 2wdn s LYS 137 Ca 0.43 -1.15 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2wdn s LYS 137 Cb -0.31 -0.24 0.28 0.00 -0.52 0.00 0.00 37.83 37.04 2wdn s LYS 137 CO 0.64 0.01 0.93 1.28 -0.92 0.00 0.00 175.35 177.28 2wdn n LEU 138 N 0.45 4.40 0.00 3.17 4.77 -1.26 -4.65 117.00 123.88 2wdn n LEU 138 Ca -0.16 -5.49 0.00 0.00 -0.03 0.00 0.00 56.01 50.33 2wdn n LEU 138 Cb 0.59 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wdn n LEU 138 CO 0.27 2.11 0.00 1.21 -1.33 0.00 0.00 177.39 179.65