#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n PHE 2 N 0.00 0.00 -3.57 2.03 7.35 -1.26 -4.63 117.46 117.38 2wro n PHE 2 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 2wro n PHE 2 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 2wro n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wro s ALA 3 N -2.00 -1.97 -0.13 3.13 0.00 -1.11 -3.89 121.76 115.80 2wro s ALA 3 Ca 0.00 1.47 -0.06 0.00 0.00 0.00 0.00 51.96 53.37 2wro s ALA 3 Cb 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 23.12 22.86 2wro s ALA 3 CO 0.00 -0.49 0.30 0.42 0.00 0.00 0.00 175.76 175.98 2wro s ILE 4 N -2.06 -0.07 0.06 0.00 1.01 -1.06 -1.17 121.20 117.92 2wro s ILE 4 Ca 0.05 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2wro s ILE 4 Cb -0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 2wro s ILE 4 CO -0.04 0.06 0.15 0.54 0.00 0.00 0.00 174.94 175.64 2wro s VAL 5 N 1.40 0.14 -0.32 2.92 0.11 -1.15 -0.28 120.40 123.23 2wro s VAL 5 Ca -0.09 -1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 57.72 2wro s VAL 5 Cb -0.10 -1.20 0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2wro s VAL 5 CO -0.10 -0.65 0.08 -0.75 -3.33 0.00 0.00 175.10 170.35 2wro s LYS 6 N -3.39 2.77 -0.34 1.54 2.20 -1.24 -1.23 119.74 120.04 2wro s LYS 6 Ca 0.01 -1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 54.55 2wro s LYS 6 Cb 0.03 -3.40 0.14 0.00 -1.51 0.00 0.00 37.83 33.09 2wro s LYS 6 CO -0.08 -0.58 0.23 -0.08 -0.36 0.00 0.00 175.35 174.47 2wro s THR 7 N 1.42 0.01 0.00 3.43 -1.32 -0.52 -4.85 115.64 113.81 2wro s THR 7 Ca -0.00 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 2wro s THR 7 Cb -0.19 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 2wro s THR 7 CO 0.02 -0.87 0.00 0.61 -2.21 0.00 0.00 174.62 172.18 2wro n GLY 8 N 4.32 0.90 2.06 6.08 0.00 -1.26 -4.49 105.19 112.80 2wro n GLY 8 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2wro n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 9 N 0.00 1.20 3.15 -0.02 0.00 -1.26 -4.88 105.19 103.37 2wro n GLY 9 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2wro n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 10 N -3.02 0.30 0.24 1.61 1.02 -1.26 -5.16 119.74 113.47 2wro s LYS 10 Ca 0.00 0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.58 2wro s LYS 10 Cb 0.00 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 2wro s LYS 10 CO 0.00 -0.11 0.29 1.14 -0.92 0.00 0.00 175.35 175.75 2wro s GLN 11 N 0.83 3.23 0.00 1.68 -2.07 -1.26 -1.43 119.66 120.64 2wro s GLN 11 Ca -0.06 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 2wro s GLN 11 Cb -0.07 -2.76 0.00 0.00 -1.09 0.00 0.00 33.01 29.10 2wro s GLN 11 CO -0.06 0.42 0.00 0.66 -1.32 0.00 0.00 175.29 174.99 2wro n TYR 12 N -1.31 -0.09 -4.48 9.60 4.01 -0.37 -4.95 117.16 119.58 2wro n TYR 12 Ca -0.09 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.33 2wro n TYR 12 Cb 0.57 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.44 2wro n TYR 12 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2wro s ARG 13 N -0.36 3.00 0.24 -0.72 3.52 -1.26 -2.92 118.95 120.46 2wro s ARG 13 Ca 0.00 -0.84 0.10 0.00 -0.13 0.00 0.00 55.73 54.86 2wro s ARG 13 Cb 0.00 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.87 2wro s ARG 13 CO 0.00 -0.08 -0.19 0.14 -0.81 0.00 0.00 175.30 174.36 2wro s VAL 14 N 0.98 2.21 0.28 7.11 -7.23 -0.32 -4.97 120.40 118.46 2wro s VAL 14 Ca -0.03 -2.29 -0.20 0.00 -1.81 0.00 0.00 61.98 57.65 2wro s VAL 14 Cb -0.15 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.66 2wro s VAL 14 CO -0.06 -0.43 0.84 -1.61 -0.31 0.00 0.00 175.10 173.53 2wro s GLU 15 N -3.44 1.78 0.00 4.82 2.02 -1.26 -2.73 118.70 119.88 2wro s GLU 15 Ca 0.26 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2wro s GLU 15 Cb -0.04 0.54 0.00 0.00 0.10 0.00 0.00 34.13 34.73 2wro s GLU 15 CO 0.12 -0.82 0.00 -2.30 0.02 0.00 0.00 175.26 172.27 2wro n PRO 16 N -0.52 0.00 -2.86 0.39 -0.02 -1.25 -4.47 135.00 126.26 2wro n PRO 16 Ca -0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 2wro n PRO 16 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.04 2wro n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wro s GLY 17 N 0.00 1.72 0.00 -1.23 0.00 -1.26 -2.89 107.32 103.66 2wro s GLY 17 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2wro s GLY 17 CO 0.00 1.87 0.00 1.47 0.00 0.00 0.00 173.10 176.44 2wro n LEU 18 N 6.18 0.00 -0.56 0.66 -0.00 -1.26 -4.99 117.00 117.02 2wro n LEU 18 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2wro n LEU 18 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2wro n LEU 18 CO 0.50 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 179.06 2wro n LYS 19 N 0.00 0.00 0.00 1.47 3.00 -1.26 -4.24 118.16 117.13 2wro n LYS 19 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 2wro n LYS 19 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 34.89 2wro n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2wro n LEU 20 N 0.00 0.00 -4.94 3.14 4.32 -1.26 -4.28 117.00 113.98 2wro n LEU 20 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 2wro n LEU 20 Cb 0.00 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 41.99 2wro n LEU 20 CO 0.00 0.00 0.87 -0.13 -1.22 0.00 0.00 177.39 176.91 2wro s ARG 21 N 0.00 0.61 0.00 3.23 3.00 -1.26 -3.48 118.95 121.06 2wro s ARG 21 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 55.73 55.26 2wro s ARG 21 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 33.09 2wro s ARG 21 CO 0.00 -2.42 0.00 1.33 0.00 0.00 0.00 175.30 174.21 2wro n VAL 22 N -3.75 0.00 -1.07 3.52 0.24 -0.79 -4.84 118.33 111.64 2wro n VAL 22 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2wro n VAL 22 Cb 0.59 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 2wro n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wro n GLU 23 N 0.00 -1.48 0.00 7.34 -0.58 -1.26 -4.16 120.64 120.50 2wro n GLU 23 Ca 0.00 1.42 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 2wro n GLU 23 Cb 0.20 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2wro n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wro n LYS 24 N 0.51 0.00 -3.59 3.49 4.76 -1.26 -4.58 118.16 117.49 2wro n LYS 24 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2wro n LYS 24 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 2wro n LYS 24 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wro s LEU 25 N 0.00 -0.79 0.14 -0.35 1.43 -1.26 -4.83 118.68 113.03 2wro s LEU 25 Ca 0.00 1.17 -0.31 0.00 -1.03 0.00 0.00 54.13 53.96 2wro s LEU 25 Cb 0.00 2.03 -0.08 0.00 0.03 0.00 0.00 46.19 48.17 2wro s LEU 25 CO 0.00 -0.18 1.39 -0.62 0.23 0.00 0.00 176.35 177.18 2wro s ASP 26 N 2.00 6.81 0.00 2.29 -1.08 -1.26 -4.77 116.67 120.65 2wro s ASP 26 Ca -0.07 2.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.34 2wro s ASP 26 Cb -0.06 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2wro s ASP 26 CO -0.18 -0.65 0.00 0.00 0.52 0.00 0.00 175.17 174.86 2wro n ALA 27 N 3.61 0.00 -3.36 3.66 0.00 -1.26 -5.14 120.51 118.02 2wro n ALA 27 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2wro n ALA 27 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2wro n ALA 27 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wro s GLU 28 N 0.00 1.49 0.36 0.00 2.02 -1.26 -5.05 118.70 116.26 2wro s GLU 28 Ca 0.00 -0.99 0.17 0.00 0.02 0.00 0.00 54.97 54.17 2wro s GLU 28 Cb 0.00 0.52 0.65 0.00 0.10 0.00 0.00 34.13 35.40 2wro s GLU 28 CO 0.00 -0.64 1.73 -1.00 0.02 0.00 0.00 175.26 175.37 2wro h PRO 29 N 2.19 0.00 -0.84 0.39 0.13 -1.97 -3.12 132.00 128.78 2wro h PRO 29 Ca -0.26 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.40 2wro h PRO 29 Cb 1.26 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.12 2wro h PRO 29 CO 0.34 0.41 0.47 0.41 -0.23 0.00 0.00 178.00 179.40 2wro n GLY 30 N 0.16 4.88 2.90 1.56 0.00 -1.26 -4.45 105.19 108.97 2wro n GLY 30 Ca -0.01 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 2wro n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro s ALA 31 N -3.38 0.99 0.55 4.61 0.00 -1.18 -5.08 121.76 118.27 2wro s ALA 31 Ca 0.55 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.05 2wro s ALA 31 Cb 0.47 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2wro s ALA 31 CO 0.06 -0.20 1.06 0.99 0.00 0.00 0.00 175.76 177.67 2wro s THR 32 N 1.32 3.75 -0.02 0.00 2.01 -1.26 -3.92 115.64 117.51 2wro s THR 32 Ca -0.04 0.93 0.04 0.00 0.31 0.00 0.00 61.69 62.94 2wro s THR 32 Cb -0.14 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 2wro s THR 32 CO -0.03 -0.39 -0.15 0.68 -0.69 0.00 0.00 174.62 174.04 2wro s VAL 33 N -2.24 1.25 -0.16 3.82 -7.23 0.02 -4.96 120.40 110.90 2wro s VAL 33 Ca 0.66 -0.65 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 2wro s VAL 33 Cb -0.17 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2wro s VAL 33 CO 0.30 0.36 0.06 -0.70 -0.31 0.00 0.00 175.10 174.81 2wro s GLU 34 N -0.16 3.73 -0.77 4.82 2.12 -1.26 -3.08 118.70 124.10 2wro s GLU 34 Ca 0.01 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.04 2wro s GLU 34 Cb -0.08 -3.13 0.32 0.00 0.26 0.00 0.00 34.13 31.49 2wro s GLU 34 CO 0.00 0.42 1.23 1.28 -0.54 0.00 0.00 175.26 177.65 2wro n LEU 35 N 3.08 5.43 -0.46 2.70 7.99 -1.07 -4.87 117.00 129.80 2wro n LEU 35 Ca -0.17 -5.52 0.40 0.00 -0.01 0.00 0.00 56.01 50.70 2wro n LEU 35 Cb 0.53 -0.83 0.61 0.00 -0.11 0.00 0.00 43.42 43.62 2wro n LEU 35 CO 0.33 2.16 1.30 -0.81 -1.51 0.00 0.00 177.39 178.86 2wro n PRO 36 N 0.13 0.01 -1.76 3.23 -0.04 -1.26 -3.87 135.00 131.44 2wro n PRO 36 Ca 0.35 0.99 -0.39 0.00 -0.04 0.00 0.00 63.50 64.41 2wro n PRO 36 Cb 0.35 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 2wro n PRO 36 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wro s VAL 37 N -4.53 3.17 -0.13 0.52 -7.23 -1.26 -4.18 120.40 106.75 2wro s VAL 37 Ca -0.04 0.13 -0.10 0.00 -1.81 0.00 0.00 61.98 60.16 2wro s VAL 37 Cb 0.20 -3.36 0.04 0.00 0.56 0.00 0.00 36.38 33.82 2wro s VAL 37 CO 0.66 -0.32 0.32 -0.22 -0.31 0.00 0.00 175.10 175.24 2wro s LEU 38 N 10.04 0.51 -0.07 1.32 0.20 -1.25 -3.67 118.68 125.76 2wro s LEU 38 Ca 0.87 0.67 0.04 0.00 0.69 0.00 0.00 54.13 56.40 2wro s LEU 38 Cb -0.19 1.08 0.00 0.00 -0.43 0.00 0.00 46.19 46.65 2wro s LEU 38 CO 0.27 -0.14 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.25 2wro s LEU 39 N 0.67 1.88 0.38 -0.68 2.01 0.62 -3.89 118.68 119.67 2wro s LEU 39 Ca -0.04 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.69 2wro s LEU 39 Cb -0.05 -1.08 0.00 0.00 0.01 0.00 0.00 46.19 45.07 2wro s LEU 39 CO -0.04 0.12 0.00 0.18 1.01 0.00 0.00 176.35 177.61 2wro n LEU 40 N 3.49 -0.66 0.00 1.79 7.99 -1.26 -2.55 117.00 125.79 2wro n LEU 40 Ca -0.20 1.53 0.00 0.00 -0.01 0.00 0.00 56.01 57.33 2wro n LEU 40 Cb 0.52 -2.78 0.00 0.00 -0.11 0.00 0.00 43.42 41.06 2wro n LEU 40 CO 0.26 -1.84 0.00 0.61 -1.51 0.00 0.00 177.39 174.91 2wro n GLY 41 N -3.71 4.71 0.12 -0.72 0.00 -1.26 -4.27 105.19 100.06 2wro n GLY 41 Ca -0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 2wro n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 42 N 0.00 -0.65 1.73 -0.02 0.00 -1.25 -4.38 105.19 100.61 2wro n GLY 42 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 2wro n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wro n GLU 43 N -3.17 2.87 -1.58 1.61 -0.58 -1.26 -4.87 120.64 113.66 2wro n GLU 43 Ca -0.35 -2.27 0.00 0.00 -0.42 0.00 0.00 57.16 54.12 2wro n GLU 43 Cb 1.05 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 2wro n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wro n LYS 44 N -0.15 0.00 -0.15 3.49 5.02 -1.26 -5.01 118.16 120.10 2wro n LYS 44 Ca 0.33 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.56 2wro n LYS 44 Cb 1.17 -1.95 0.03 0.00 -0.02 0.00 0.00 35.03 34.27 2wro n LYS 44 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wro h THR 45 N 0.00 1.01 -4.51 -0.18 2.02 -1.90 -3.48 112.91 105.86 2wro h THR 45 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2wro h THR 45 Cb 0.81 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2wro h THR 45 CO 0.00 0.09 -0.19 0.55 0.37 0.00 0.00 175.52 176.34 2wro n VAL 46 N -4.86 -2.45 -2.15 3.16 3.14 -1.26 -4.66 118.33 109.25 2wro n VAL 46 Ca 0.03 0.53 -0.35 0.00 -2.96 0.00 0.00 64.34 61.59 2wro n VAL 46 Cb 0.10 -2.47 -0.04 0.00 -1.06 0.00 0.00 33.84 30.36 2wro n VAL 46 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2wro n VAL 47 N 2.07 2.65 -0.07 1.55 0.24 -1.26 -4.82 118.33 118.68 2wro n VAL 47 Ca -0.02 -2.71 -0.02 0.00 -2.04 0.00 0.00 64.34 59.56 2wro n VAL 47 Cb 0.02 -2.26 -0.02 0.00 -1.47 0.00 0.00 33.84 30.12 2wro n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wro n GLY 48 N 5.49 -0.71 0.00 7.63 0.00 -1.26 -4.36 105.19 111.98 2wro n GLY 48 Ca 0.47 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2wro n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wro n THR 49 N -3.61 0.00 0.00 2.61 -2.24 -1.26 -5.03 114.28 104.75 2wro n THR 49 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wro n THR 49 Cb 0.04 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 2wro n THR 49 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2wro n PRO 50 N -0.00 0.00 0.00 -0.78 -0.02 -1.26 -4.75 135.00 128.18 2wro n PRO 50 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2wro n PRO 50 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 2wro n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wro n VAL 51 N -0.15 0.00 -2.69 -1.45 0.31 -1.26 -4.77 118.33 108.32 2wro n VAL 51 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2wro n VAL 51 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 2wro n VAL 51 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2wro n VAL 52 N 0.00 1.00 0.00 2.52 3.14 -1.25 -4.04 118.33 119.70 2wro n VAL 52 Ca 0.00 -2.98 0.00 0.00 -2.96 0.00 0.00 64.34 58.40 2wro n VAL 52 Cb 0.00 0.77 0.00 0.00 -1.06 0.00 0.00 33.84 33.55 2wro n VAL 52 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wro n GLU 53 N -0.16 0.00 -1.06 1.45 1.02 -1.26 -2.31 120.64 118.32 2wro n GLU 53 Ca 0.08 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 2wro n GLU 53 Cb 0.82 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.21 2wro n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wro n GLY 54 N 0.00 3.60 3.60 0.62 0.00 -1.26 -4.79 105.19 106.96 2wro n GLY 54 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 2wro n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro s ALA 55 N 3.05 -1.63 0.00 4.61 0.00 -0.98 -4.83 121.76 121.97 2wro s ALA 55 Ca 0.53 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2wro s ALA 55 Cb 0.14 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2wro s ALA 55 CO -0.04 -0.86 0.00 -1.13 0.00 0.00 0.00 175.76 173.74 2wro n SER 56 N -0.37 0.00 -3.75 0.00 3.41 -1.23 -4.74 113.62 106.94 2wro n SER 56 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.39 2wro n SER 56 Cb 0.62 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 2wro n SER 56 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wro s VAL 57 N -2.26 -0.01 0.75 -3.33 0.11 -1.26 -3.94 120.40 110.47 2wro s VAL 57 Ca 0.00 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 2wro s VAL 57 Cb 0.00 -0.48 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2wro s VAL 57 CO 0.00 0.01 1.08 -0.69 -3.33 0.00 0.00 175.10 172.16 2wro s VAL 58 N 0.39 3.59 0.00 2.04 1.01 -0.51 -2.61 120.40 124.31 2wro s VAL 58 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2wro s VAL 58 Cb -0.04 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2wro s VAL 58 CO -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 175.10 174.41 2wro n ALA 59 N -3.32 0.00 -2.81 5.51 0.00 -1.18 -3.59 120.51 115.14 2wro n ALA 59 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 2wro n ALA 59 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 2wro n ALA 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wro s GLU 60 N 0.00 3.01 0.11 0.00 2.12 -0.97 -0.80 118.70 122.17 2wro s GLU 60 Ca 0.00 -0.63 -0.28 0.00 0.36 0.00 0.00 54.97 54.42 2wro s GLU 60 Cb 0.00 -2.80 -0.06 0.00 0.26 0.00 0.00 34.13 31.53 2wro s GLU 60 CO 0.00 0.58 0.87 0.14 -0.54 0.00 0.00 175.26 176.31 2wro s VAL 61 N -1.41 4.50 -2.49 3.70 -7.23 -1.25 -1.90 120.40 114.32 2wro s VAL 61 Ca 0.30 1.89 0.23 0.00 -1.81 0.00 0.00 61.98 62.60 2wro s VAL 61 Cb -0.12 -4.24 0.42 0.00 0.56 0.00 0.00 36.38 33.00 2wro s VAL 61 CO 0.23 0.38 1.48 0.18 -0.31 0.00 0.00 175.10 177.07 2wro n LEU 62 N 2.48 2.43 0.00 1.32 7.99 0.60 -4.66 117.00 127.16 2wro n LEU 62 Ca -0.01 -0.97 0.00 0.00 -0.01 0.00 0.00 56.01 55.02 2wro n LEU 62 Cb 0.49 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 2wro n LEU 62 CO 0.49 0.48 0.00 0.61 -1.51 0.00 0.00 177.39 177.47 2wro n GLY 63 N 1.29 2.64 0.00 -0.72 0.00 -1.26 -4.87 105.19 102.28 2wro n GLY 63 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2wro n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wro n HIS 64 N 1.50 -0.67 0.00 1.61 8.25 -1.26 -3.18 115.22 121.47 2wro n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wro n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wro n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wro n GLY 65 N 0.00 -0.50 3.15 -1.41 0.00 -1.13 -4.71 105.19 100.60 2wro n GLY 65 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.48 2wro n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wro s ARG 66 N -1.97 0.52 0.67 1.61 3.52 -1.26 -4.12 118.95 117.92 2wro s ARG 66 Ca 0.00 0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 56.24 2wro s ARG 66 Cb 0.00 0.38 0.13 0.00 -1.56 0.00 0.00 34.95 33.89 2wro s ARG 66 CO 0.00 -0.77 0.29 0.41 -0.81 0.00 0.00 175.30 174.42 2wro n GLY 67 N 5.41 -1.87 3.81 8.12 0.00 0.37 -4.81 105.19 116.22 2wro n GLY 67 Ca 0.02 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 2wro n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wro s LYS 68 N -2.83 2.91 -0.05 1.61 2.47 -1.26 -4.04 119.74 118.55 2wro s LYS 68 Ca 0.22 1.02 -0.17 0.00 -1.56 0.00 0.00 55.97 55.48 2wro s LYS 68 Cb -0.04 -1.98 -0.05 0.00 -1.46 0.00 0.00 37.83 34.30 2wro s LYS 68 CO 0.19 -1.12 0.46 0.21 0.16 0.00 0.00 175.35 175.24 2wro s LYS 69 N -4.88 4.16 0.47 4.03 2.20 -1.24 -3.38 119.74 121.09 2wro s LYS 69 Ca 0.59 0.47 0.07 0.00 -0.36 0.00 0.00 55.97 56.74 2wro s LYS 69 Cb -0.15 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 2wro s LYS 69 CO 0.52 0.43 0.42 0.42 -0.36 0.00 0.00 175.35 176.79 2wro s ILE 70 N -0.29 2.29 -0.05 5.43 1.01 -0.09 -4.94 121.20 124.56 2wro s ILE 70 Ca 0.25 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 2wro s ILE 70 Cb -0.16 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.69 2wro s ILE 70 CO 0.13 0.00 0.03 -0.22 0.00 0.00 0.00 174.94 174.88 2wro s LEU 71 N -4.23 0.44 -0.15 2.97 0.20 -1.26 -2.96 118.68 113.70 2wro s LEU 71 Ca 0.45 0.01 -0.11 0.00 0.69 0.00 0.00 54.13 55.16 2wro s LEU 71 Cb -0.03 -0.26 -0.05 0.00 -0.43 0.00 0.00 46.19 45.43 2wro s LEU 71 CO 0.27 -0.21 0.23 0.68 -0.29 0.00 0.00 176.35 177.03 2wro s VAL 72 N 1.94 5.35 -0.42 1.68 -7.23 -1.25 -4.97 120.40 115.49 2wro s VAL 72 Ca 0.03 0.41 0.11 0.00 -1.81 0.00 0.00 61.98 60.72 2wro s VAL 72 Cb -0.12 -3.55 0.39 0.00 0.56 0.00 0.00 36.38 33.66 2wro s VAL 72 CO -0.04 0.47 0.90 -0.24 -0.31 0.00 0.00 175.10 175.89 2wro n SER 73 N 3.03 2.56 -4.72 4.85 2.88 -1.26 -1.65 113.62 119.31 2wro n SER 73 Ca -0.15 -3.23 -0.42 0.00 -1.33 0.00 0.00 58.87 53.74 2wro n SER 73 Cb 0.53 -0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 2wro n SER 73 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wro s LYS 74 N -3.05 4.13 -0.25 -1.46 1.02 -1.25 -4.78 119.74 114.10 2wro s LYS 74 Ca 0.40 2.60 -0.25 0.00 0.02 0.00 0.00 55.97 58.75 2wro s LYS 74 Cb 0.37 -3.07 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2wro s LYS 74 CO -0.08 -0.73 0.69 -0.59 -0.92 0.00 0.00 175.35 173.72 2wro s PHE 75 N 0.99 -0.75 -0.20 3.18 -0.71 -1.26 -1.59 117.98 117.63 2wro s PHE 75 Ca 0.73 1.81 -0.04 0.00 -1.04 0.00 0.00 56.93 58.39 2wro s PHE 75 Cb -0.49 0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.57 2wro s PHE 75 CO 0.35 -0.38 -0.04 0.15 -1.34 0.00 0.00 175.22 173.95 2wro s LYS 76 N 0.26 3.48 0.51 1.99 1.02 -1.15 -5.05 119.74 120.80 2wro s LYS 76 Ca -0.01 -0.59 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 2wro s LYS 76 Cb -0.05 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.23 2wro s LYS 76 CO 0.02 -0.04 1.32 0.00 -0.92 0.00 0.00 175.35 175.72 2wro s ALA 77 N 1.09 2.93 -0.52 5.17 0.00 -1.26 -3.95 121.76 125.21 2wro s ALA 77 Ca 0.01 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 2wro s ALA 77 Cb -0.15 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2wro s ALA 77 CO 0.00 -1.15 0.45 1.63 0.00 0.00 0.00 175.76 176.69 2wro n LYS 78 N -0.73 -2.16 0.00 0.00 5.02 -1.26 -4.87 118.16 114.16 2wro n LYS 78 Ca 0.09 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2wro n LYS 78 Cb 0.45 -3.81 0.00 0.00 -0.02 0.00 0.00 35.03 31.65 2wro n LYS 78 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wro n VAL 79 N -2.38 0.00 -3.20 -0.18 0.31 -1.25 -4.99 118.33 106.63 2wro n VAL 79 Ca -0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 2wro n VAL 79 Cb 0.57 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.55 2wro n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro n GLN 80 N 0.00 -5.79 -3.82 5.55 6.02 -1.26 -4.97 117.38 113.11 2wro n GLN 80 Ca 0.00 0.81 -0.37 0.00 -0.01 0.00 0.00 57.00 57.44 2wro n GLN 80 Cb 0.00 -5.59 -0.13 0.00 1.02 0.00 0.00 30.24 25.54 2wro n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2wro s TYR 81 N -3.21 3.18 -0.01 1.08 6.14 -1.26 -5.09 117.35 118.19 2wro s TYR 81 Ca 0.40 -1.34 0.02 0.00 0.64 0.00 0.00 57.07 56.79 2wro s TYR 81 Cb -0.17 -2.20 -0.00 0.00 0.42 0.00 0.00 41.96 40.00 2wro s TYR 81 CO 0.49 -0.68 -0.08 1.03 0.64 0.00 0.00 175.55 176.95 2wro s ARG 82 N 1.40 0.67 0.25 4.97 3.00 -1.26 -2.93 118.95 125.06 2wro s ARG 82 Ca -0.00 -0.28 0.06 0.00 0.00 0.00 0.00 55.73 55.51 2wro s ARG 82 Cb -0.18 -0.65 -0.05 0.00 0.00 0.00 0.00 34.95 34.07 2wro s ARG 82 CO 0.01 0.16 -0.07 1.03 0.00 0.00 0.00 175.30 176.42 2wro s ARG 83 N -0.11 1.46 -0.27 3.54 1.81 -0.62 -5.03 118.95 119.72 2wro s ARG 83 Ca 0.02 -1.72 -0.20 0.00 -1.72 0.00 0.00 55.73 52.11 2wro s ARG 83 Cb -0.04 -1.06 0.07 0.00 -0.45 0.00 0.00 34.95 33.48 2wro s ARG 83 CO -0.00 0.05 0.70 0.21 -0.68 0.00 0.00 175.30 175.57 2wro s LYS 84 N -3.73 0.76 0.40 3.54 2.20 -1.26 -3.77 119.74 117.88 2wro s LYS 84 Ca 0.28 1.12 0.04 0.00 -0.36 0.00 0.00 55.97 57.05 2wro s LYS 84 Cb 0.03 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.55 2wro s LYS 84 CO 0.10 -0.13 0.04 0.15 -0.36 0.00 0.00 175.35 175.16 2wro s LYS 85 N 1.08 1.90 -0.24 4.03 1.02 -0.66 -5.00 119.74 121.88 2wro s LYS 85 Ca -0.06 -2.12 -0.01 0.00 0.02 0.00 0.00 55.97 53.80 2wro s LYS 85 Cb -0.05 -1.19 0.07 0.00 -0.52 0.00 0.00 37.83 36.14 2wro s LYS 85 CO -0.11 -0.23 0.03 0.20 -0.92 0.00 0.00 175.35 174.33 2wro s GLY 86 N -3.65 0.98 -0.28 -3.33 0.00 -1.26 -3.94 107.32 95.84 2wro s GLY 86 Ca 0.28 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 2wro s GLY 86 CO 0.14 1.35 0.05 -1.58 0.00 0.00 0.00 173.10 173.06 2wro s HIS 87 N 1.65 3.12 -0.34 1.90 2.46 -1.15 -5.00 115.29 117.93 2wro s HIS 87 Ca 0.01 -1.03 -0.01 0.00 0.47 0.00 0.00 55.06 54.51 2wro s HIS 87 Cb -0.18 -2.21 0.08 0.00 -0.13 0.00 0.00 32.58 30.14 2wro s HIS 87 CO -0.13 -0.58 0.07 1.03 -2.47 0.00 0.00 174.74 172.66 2wro s ARG 88 N 1.48 2.14 -0.75 2.88 1.81 -1.26 -0.91 118.95 124.33 2wro s ARG 88 Ca 0.03 -1.55 -0.24 0.00 -1.72 0.00 0.00 55.73 52.25 2wro s ARG 88 Cb -0.17 -3.30 -0.15 0.00 -0.45 0.00 0.00 34.95 30.89 2wro s ARG 88 CO 0.01 -0.81 2.40 1.04 -0.68 0.00 0.00 175.30 177.26 2wro n GLN 89 N 4.55 0.60 -2.23 3.54 1.13 -1.22 -4.59 117.38 119.16 2wro n GLN 89 Ca -0.07 -0.54 -0.41 0.00 -1.94 0.00 0.00 57.00 54.04 2wro n GLN 89 Cb 0.42 -3.30 -0.03 0.00 0.11 0.00 0.00 30.24 27.45 2wro n GLN 89 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2wro s PRO 90 N 8.60 4.45 0.00 -1.09 0.02 -1.26 0.14 135.00 145.85 2wro s PRO 90 Ca 1.00 2.09 0.00 0.00 0.02 0.00 0.00 61.00 64.10 2wro s PRO 90 Cb -0.25 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2wro s PRO 90 CO 0.19 -0.06 0.00 2.48 -0.33 0.00 0.00 177.00 179.28 2wro n TYR 91 N 0.92 -0.36 -3.80 6.54 0.18 -1.26 -4.12 117.16 115.26 2wro n TYR 91 Ca -0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 2wro n TYR 91 Cb 0.43 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.26 2wro n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2wro s THR 92 N -2.94 -0.00 0.02 -3.48 -4.23 -1.26 -2.84 115.64 100.91 2wro s THR 92 Ca 0.00 0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.31 2wro s THR 92 Cb 0.00 -0.27 -0.06 0.00 1.34 0.00 0.00 72.50 73.51 2wro s THR 92 CO 0.00 0.00 0.60 -1.61 -0.54 0.00 0.00 174.62 173.08 2wro s GLU 93 N 0.15 4.31 0.30 3.99 2.02 -1.19 -1.88 118.70 126.39 2wro s GLU 93 Ca -0.00 0.76 0.10 0.00 0.02 0.00 0.00 54.97 55.85 2wro s GLU 93 Cb -0.02 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 2wro s GLU 93 CO -0.00 0.42 -0.09 -0.51 0.02 0.00 0.00 175.26 175.10 2wro s LEU 94 N -0.36 2.86 -0.05 1.80 1.43 -1.23 -0.29 118.68 122.85 2wro s LEU 94 Ca 0.31 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2wro s LEU 94 Cb -0.19 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.74 2wro s LEU 94 CO 0.18 -0.06 -0.05 -0.22 0.23 0.00 0.00 176.35 176.42 2wro s LEU 95 N -3.61 1.38 -0.70 1.79 0.20 -0.80 -4.25 118.68 112.69 2wro s LEU 95 Ca 0.32 -0.15 -0.18 0.00 0.69 0.00 0.00 54.13 54.81 2wro s LEU 95 Cb -0.03 -0.49 0.13 0.00 -0.43 0.00 0.00 46.19 45.36 2wro s LEU 95 CO 0.18 -0.04 0.80 -0.63 -0.29 0.00 0.00 176.35 176.36 2wro s ILE 96 N 0.86 4.96 0.00 6.68 -1.09 -1.14 -2.29 121.20 129.18 2wro s ILE 96 Ca -0.12 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 56.90 2wro s ILE 96 Cb -0.15 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.19 2wro s ILE 96 CO 0.01 -1.18 0.00 0.29 -1.23 0.00 0.00 174.94 172.83 2wro n LYS 97 N 5.91 0.00 -4.34 2.79 4.76 -1.24 -3.95 118.16 122.09 2wro n LYS 97 Ca 0.01 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 2wro n LYS 97 Cb 0.45 -0.12 -0.10 0.00 -1.84 0.00 0.00 35.03 33.42 2wro n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wro s GLU 98 N 0.00 1.94 -0.69 1.97 -1.05 -1.26 -4.60 118.70 115.01 2wro s GLU 98 Ca 0.00 -1.41 0.05 0.00 -0.15 0.00 0.00 54.97 53.46 2wro s GLU 98 Cb 0.00 -2.05 0.24 0.00 -0.44 0.00 0.00 34.13 31.88 2wro s GLU 98 CO 0.00 0.40 0.75 0.44 0.95 0.00 0.00 175.26 177.80 2wro n ILE 99 N -0.15 2.46 -2.59 1.83 -0.00 -1.26 -1.42 119.36 118.23 2wro n ILE 99 Ca -0.10 -5.21 -0.43 0.00 -0.00 0.00 0.00 62.75 57.02 2wro n ILE 99 Cb 0.57 -2.13 -0.02 0.00 -0.00 0.00 0.00 39.64 38.06 2wro n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wro s ARG 100 N -2.28 3.83 0.00 6.28 1.70 -1.25 -5.04 118.95 122.19 2wro s ARG 100 Ca 0.36 0.76 0.27 0.00 -0.47 0.00 0.00 55.73 56.65 2wro s ARG 100 Cb 0.10 -3.86 0.84 0.00 -0.57 0.00 0.00 34.95 31.46 2wro s ARG 100 CO -0.04 -1.24 1.62 0.41 -1.08 0.00 0.00 175.30 174.98