#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro s LEU 2 N 0.00 -0.89 0.35 -0.89 2.96 -1.26 -5.11 118.68 113.83 2wro s LEU 2 Ca 0.00 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 2wro s LEU 2 Cb 0.00 1.29 0.02 0.00 0.50 0.00 0.00 46.19 48.00 2wro s LEU 2 CO 0.00 -0.12 0.58 0.00 -1.32 0.00 0.00 176.35 175.48 2wro s MET 3 N 2.28 1.97 0.35 1.98 0.23 -1.26 -4.80 119.30 120.06 2wro s MET 3 Ca 0.17 -1.60 -0.24 0.00 -1.03 0.00 0.00 55.69 53.00 2wro s MET 3 Cb -0.02 0.51 -0.10 0.00 -1.53 0.00 0.00 34.83 33.68 2wro s MET 3 CO -0.16 -0.86 0.93 -1.25 -2.03 0.00 0.00 175.02 171.65 2wro s PRO 4 N -2.94 4.43 0.00 3.16 0.04 -1.26 -4.92 135.00 133.51 2wro s PRO 4 Ca 0.25 1.21 0.30 0.00 0.04 0.00 0.00 61.00 62.80 2wro s PRO 4 Cb -0.02 -2.59 1.49 0.00 0.04 0.00 0.00 34.50 33.41 2wro s PRO 4 CO 0.16 0.18 2.02 0.54 0.04 0.00 0.00 177.00 179.94 2wro n ARG 5 N 0.16 0.60 -3.79 4.56 1.74 -1.26 -4.90 116.66 113.77 2wro n ARG 5 Ca 0.03 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 2wro n ARG 5 Cb 0.51 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2wro n ARG 5 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wro s ARG 6 N -2.45 1.71 0.15 5.56 1.81 -1.26 -5.18 118.95 119.28 2wro s ARG 6 Ca 0.32 -0.91 -0.25 0.00 -1.72 0.00 0.00 55.73 53.17 2wro s ARG 6 Cb 0.20 0.60 0.07 0.00 -0.45 0.00 0.00 34.95 35.38 2wro s ARG 6 CO 0.45 -0.78 0.99 -1.64 -0.68 0.00 0.00 175.30 173.64 2wro s MET 7 N -3.89 1.16 -0.03 3.54 -1.94 -1.26 -5.03 119.30 111.85 2wro s MET 7 Ca 0.10 -0.66 0.14 0.00 -1.71 0.00 0.00 55.69 53.56 2wro s MET 7 Cb -0.05 0.39 -0.21 0.00 2.01 0.00 0.00 34.83 36.96 2wro s MET 7 CO 0.04 -0.53 0.28 1.63 -0.01 0.00 0.00 175.02 176.43 2wro n LYS 8 N -0.50 0.57 -3.69 2.03 5.02 -1.26 -4.92 118.16 115.41 2wro n LYS 8 Ca -0.06 -0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 55.97 2wro n LYS 8 Cb 0.61 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 34.14 2wro n LYS 8 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2wro s TYR 9 N -2.91 -0.25 -0.14 2.13 1.51 -1.26 -5.03 117.35 111.39 2wro s TYR 9 Ca -0.05 0.69 0.28 0.00 -1.01 0.00 0.00 57.07 56.97 2wro s TYR 9 Cb 0.09 -0.13 0.87 0.00 -0.11 0.00 0.00 41.96 42.67 2wro s TYR 9 CO 0.58 -0.26 1.80 -0.09 -1.11 0.00 0.00 175.55 176.47 2wro h ARG 10 N 7.91 0.00 -4.85 -0.62 2.43 -2.01 -3.43 114.38 113.82 2wro h ARG 10 Ca -0.24 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.29 2wro h ARG 10 Cb 1.13 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.32 2wro h ARG 10 CO 0.24 0.02 -0.84 0.15 -1.51 0.00 0.00 179.97 178.03 2wro s LYS 11 N -3.45 2.60 0.03 0.20 1.02 -1.26 -4.82 119.74 114.06 2wro s LYS 11 Ca 0.04 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.35 2wro s LYS 11 Cb 0.07 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 2wro s LYS 11 CO 0.61 -0.25 -0.20 1.14 -0.92 0.00 0.00 175.35 175.72 2wro s GLN 12 N 1.37 1.43 0.65 1.68 -2.07 -1.26 -5.12 119.66 116.33 2wro s GLN 12 Ca 0.04 -0.88 -0.17 0.00 -1.82 0.00 0.00 55.36 52.53 2wro s GLN 12 Cb -0.13 -1.50 -0.03 0.00 -1.09 0.00 0.00 33.01 30.26 2wro s GLN 12 CO -0.11 0.39 0.94 1.04 -1.32 0.00 0.00 175.29 176.22 2wro n GLN 13 N 2.04 0.74 0.20 9.60 6.02 -1.26 -4.91 117.38 129.81 2wro n GLN 13 Ca -0.17 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.25 2wro n GLN 13 Cb 0.53 -2.17 0.70 0.00 1.02 0.00 0.00 30.24 30.33 2wro n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wro h ARG 14 N 0.21 0.00 0.00 -1.09 3.08 -2.00 -3.49 114.38 111.09 2wro h ARG 14 Ca -0.48 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.61 2wro h ARG 14 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2wro h ARG 14 CO 0.49 0.00 -0.06 0.41 -1.07 0.00 0.00 179.97 179.74 2wro n GLY 15 N -1.52 -1.01 3.03 0.04 0.00 -1.26 -4.93 105.19 99.52 2wro n GLY 15 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2wro n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wro s ARG 16 N -0.26 0.31 -0.53 1.61 3.52 -1.26 -5.13 118.95 117.20 2wro s ARG 16 Ca 0.00 -0.26 -0.25 0.00 -0.13 0.00 0.00 55.73 55.09 2wro s ARG 16 Cb 0.00 0.13 0.04 0.00 -1.56 0.00 0.00 34.95 33.55 2wro s ARG 16 CO 0.00 -0.06 0.99 -0.51 -0.81 0.00 0.00 175.30 174.91 2wro s LEU 17 N -0.88 3.94 0.00 -0.88 1.43 -1.26 -4.99 118.68 116.03 2wro s LEU 17 Ca -0.10 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2wro s LEU 17 Cb -0.06 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.16 2wro s LEU 17 CO 0.00 -1.24 0.00 1.17 0.23 0.00 0.00 176.35 176.51 2wro n LYS 18 N 7.60 0.00 -4.41 1.70 4.81 -1.26 -5.11 118.16 121.49 2wro n LYS 18 Ca 0.04 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.26 2wro n LYS 18 Cb 0.48 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.45 2wro n LYS 18 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2wro s GLY 19 N 0.00 2.37 0.00 3.14 0.00 -1.26 -4.98 107.32 106.60 2wro s GLY 19 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2wro s GLY 19 CO 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 173.10 171.42 2wro n ALA 20 N -0.75 0.00 0.00 3.20 0.00 -1.26 -4.90 120.51 116.80 2wro n ALA 20 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wro n ALA 20 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2wro n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wro n THR 21 N 0.00 0.00 -0.81 0.00 -1.04 -1.26 -4.08 114.28 107.09 2wro n THR 21 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wro n THR 21 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wro n THR 21 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2wro n LYS 22 N -1.07 0.00 0.00 -2.82 4.81 -1.26 -4.89 118.16 112.93 2wro n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wro n LYS 22 Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.85 2wro n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wro n GLY 23 N -2.00 3.80 0.00 3.14 0.00 -1.26 -5.07 105.19 103.79 2wro n GLY 23 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2wro n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 24 N -1.26 2.60 0.00 -0.02 0.00 -1.26 -4.70 105.19 100.54 2wro n GLY 24 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wro n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wro n ASP 25 N 0.00 0.00 -4.95 1.61 5.68 -0.75 -4.26 116.55 113.88 2wro n ASP 25 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.06 2wro n ASP 25 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2wro n ASP 25 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2wro s TYR 26 N -0.97 3.47 0.00 2.11 -0.85 -1.26 -4.89 117.35 114.96 2wro s TYR 26 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 2wro s TYR 26 Cb 0.00 -1.70 0.00 0.00 0.38 0.00 0.00 41.96 40.64 2wro s TYR 26 CO 0.00 0.36 0.41 0.28 -1.52 0.00 0.00 175.55 175.08 2wro n VAL 27 N -1.31 0.00 0.00 -3.49 0.31 -1.26 -4.94 118.33 107.64 2wro n VAL 27 Ca -0.07 0.82 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 2wro n VAL 27 Cb 0.56 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2wro n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro n ALA 28 N -1.46 0.00 -1.00 3.52 0.00 -1.26 -4.73 120.51 115.57 2wro n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wro n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wro n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wro n PHE 29 N -2.00 0.00 0.00 0.00 3.01 -1.26 -5.15 117.46 112.06 2wro n PHE 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wro n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2wro n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wro n GLY 30 N 0.47 -1.80 0.00 1.37 0.00 -1.26 -4.99 105.19 98.98 2wro n GLY 30 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2wro n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wro n ASP 31 N -0.99 0.41 -0.29 1.61 8.00 -0.67 -4.96 116.55 119.65 2wro n ASP 31 Ca 0.00 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2wro n ASP 31 Cb 0.00 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 2wro n ASP 31 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wro n TYR 32 N -0.75 -0.04 0.00 1.24 4.02 -1.18 -4.60 117.16 115.85 2wro n TYR 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wro n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wro n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wro n GLY 33 N 0.00 2.63 3.20 2.72 0.00 -1.19 -4.16 105.19 108.40 2wro n GLY 33 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2wro n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wro s LEU 34 N 0.00 2.00 0.21 0.99 2.96 -0.90 -0.95 118.68 122.99 2wro s LEU 34 Ca 0.00 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 2wro s LEU 34 Cb 0.00 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 2wro s LEU 34 CO 0.00 0.18 -0.18 0.54 -1.32 0.00 0.00 176.35 175.57 2wro s VAL 35 N 0.08 2.07 0.29 1.68 0.11 0.15 -1.97 120.40 122.80 2wro s VAL 35 Ca -0.08 -2.17 -0.18 0.00 -2.93 0.00 0.00 61.98 56.62 2wro s VAL 35 Cb -0.14 -2.08 -0.09 0.00 -1.53 0.00 0.00 36.38 32.54 2wro s VAL 35 CO 0.05 -0.40 0.75 0.00 -3.33 0.00 0.00 175.10 172.18 2wro s ALA 36 N -2.40 3.33 0.00 1.54 0.00 -1.11 -2.57 121.76 120.55 2wro s ALA 36 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2wro s ALA 36 Cb -0.04 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2wro s ALA 36 CO 0.10 0.31 0.00 1.28 0.00 0.00 0.00 175.76 177.45 2wro n LEU 37 N 0.08 1.19 -4.23 0.00 4.77 -1.25 -2.45 117.00 115.12 2wro n LEU 37 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 2wro n LEU 37 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 2wro n LEU 37 CO 0.42 0.20 -0.14 -1.61 -1.33 0.00 0.00 177.39 174.93 2wro s GLU 38 N -1.70 2.47 0.36 3.23 2.02 -1.26 -4.76 118.70 119.06 2wro s GLU 38 Ca 0.00 -1.51 -0.24 0.00 0.02 0.00 0.00 54.97 53.24 2wro s GLU 38 Cb 0.00 -3.68 -0.14 0.00 0.10 0.00 0.00 34.13 30.41 2wro s GLU 38 CO 0.00 -0.95 0.56 -2.30 0.02 0.00 0.00 175.26 172.60 2wro n PRO 39 N 4.83 0.53 0.00 0.39 -0.02 -1.26 -4.83 135.00 134.64 2wro n PRO 39 Ca -0.09 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2wro n PRO 39 Cb 0.43 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2wro n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wro n ALA 40 N -0.55 0.00 -1.85 3.55 0.00 -1.25 -5.05 120.51 115.37 2wro n ALA 40 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 2wro n ALA 40 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 2wro n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wro s TRP 41 N -1.97 3.14 -0.17 0.00 0.51 -1.26 -4.57 118.94 114.62 2wro s TRP 41 Ca 0.00 1.33 0.01 0.00 -2.12 0.00 0.00 56.10 55.32 2wro s TRP 41 Cb 0.00 -3.65 0.01 0.00 -0.81 0.00 0.00 33.47 29.02 2wro s TRP 41 CO 0.00 -1.88 -0.19 -1.50 -0.51 0.00 0.00 176.95 172.87 2wro s ILE 42 N -0.64 2.19 -0.19 2.03 1.10 -1.26 -4.93 121.20 119.50 2wro s ILE 42 Ca 0.52 -0.91 -0.19 0.00 -0.51 0.00 0.00 60.65 59.56 2wro s ILE 42 Cb -0.39 -1.91 -0.03 0.00 0.15 0.00 0.00 42.46 40.28 2wro s ILE 42 CO 0.47 0.53 0.53 0.42 -2.11 0.00 0.00 174.94 174.78 2wro s THR 43 N 1.13 5.10 0.22 4.00 -4.23 -1.25 -1.91 115.64 118.71 2wro s THR 43 Ca 0.01 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.57 2wro s THR 43 Cb -0.14 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.12 2wro s THR 43 CO -0.08 0.19 1.07 0.00 -0.54 0.00 0.00 174.62 175.26 2wro n ALA 44 N 4.67 0.46 0.31 3.99 0.00 -1.04 0.79 120.51 129.68 2wro n ALA 44 Ca -0.04 0.72 -0.16 0.00 0.00 0.00 0.00 53.44 53.96 2wro n ALA 44 Cb 0.50 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 2wro n ALA 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2wro h GLN 45 N 0.00 -0.91 -0.90 0.00 -0.00 -1.92 0.23 115.11 111.61 2wro h GLN 45 Ca 0.47 0.06 0.09 0.00 -0.00 0.00 0.00 58.65 59.27 2wro h GLN 45 Cb 1.07 0.21 -0.07 0.00 -0.00 0.00 0.00 27.48 28.68 2wro h GLN 45 CO -0.61 -0.61 0.55 1.96 -0.00 0.00 0.00 178.83 180.13 2wro h GLN 46 N -0.94 0.90 -0.30 0.06 4.20 0.04 0.56 115.11 119.63 2wro h GLN 46 Ca -0.07 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.61 2wro h GLN 46 Cb 0.78 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 2wro h GLN 46 CO 0.02 0.60 -0.31 0.82 -0.67 0.00 0.00 178.83 179.29 2wro h ILE 47 N 0.93 0.00 -0.60 2.54 2.04 0.13 -0.40 117.51 122.15 2wro h ILE 47 Ca 0.42 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.22 2wro h ILE 47 Cb 0.32 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2wro h ILE 47 CO -0.23 0.00 0.11 -0.08 0.00 0.00 0.00 178.15 177.96 2wro h GLU 48 N -0.17 0.96 -1.51 2.37 4.81 0.20 -2.65 114.58 118.60 2wro h GLU 48 Ca 0.05 -0.23 0.44 0.00 -0.13 0.00 0.00 59.36 59.49 2wro h GLU 48 Cb 0.30 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2wro h GLU 48 CO -0.37 0.88 1.32 0.00 -0.73 0.00 0.00 179.01 180.11 2wro n ALA 49 N -2.46 1.45 -0.09 2.92 0.00 0.19 0.20 120.51 122.71 2wro n ALA 49 Ca 0.04 0.50 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 2wro n ALA 49 Cb 0.26 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2wro n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n ALA 50 N -2.58 0.77 -0.27 0.00 0.00 -1.00 -3.27 120.51 114.17 2wro n ALA 50 Ca 0.34 -0.72 0.16 0.00 0.00 0.00 0.00 53.44 53.22 2wro n ALA 50 Cb 1.78 0.02 0.30 0.00 0.00 0.00 0.00 19.45 21.55 2wro n ALA 50 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wro n ARG 51 N -4.50 -0.06 0.00 0.00 1.85 0.48 0.42 116.66 114.85 2wro n ARG 51 Ca -0.13 1.17 0.00 0.00 -1.00 0.00 0.00 57.85 57.89 2wro n ARG 51 Cb 0.46 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 2wro n ARG 51 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wro n VAL 52 N -5.04 0.00 -0.23 8.89 0.31 0.53 -0.57 118.33 122.22 2wro n VAL 52 Ca 0.22 0.73 0.23 0.00 -0.01 0.00 0.00 64.34 65.51 2wro n VAL 52 Cb 0.74 -1.70 0.41 0.00 -0.91 0.00 0.00 33.84 32.38 2wro n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro n ALA 53 N -1.86 0.73 -1.00 3.52 0.00 0.65 -0.72 120.51 121.83 2wro n ALA 53 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2wro n ALA 53 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2wro n ALA 53 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2wro n MET 54 N -4.42 0.00 -0.30 0.00 0.00 1.40 -1.32 117.12 112.48 2wro n MET 54 Ca 0.26 0.03 0.21 0.00 0.00 0.00 0.00 57.70 58.19 2wro n MET 54 Cb 0.90 -0.56 0.39 0.00 0.00 0.00 0.00 33.22 33.95 2wro n MET 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2wro n VAL 55 N -0.09 -0.37 -0.09 1.12 3.14 0.26 -0.44 118.33 121.86 2wro n VAL 55 Ca 0.00 1.88 -0.08 0.00 -2.96 0.00 0.00 64.34 63.18 2wro n VAL 55 Cb 0.00 -2.90 -0.06 0.00 -1.06 0.00 0.00 33.84 29.82 2wro n VAL 55 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2wro h ARG 56 N 0.00 -0.23 0.00 1.45 2.47 -0.70 -3.01 114.38 114.36 2wro h ARG 56 Ca 0.65 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.38 2wro h ARG 56 Cb 1.56 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.93 2wro h ARG 56 CO -0.76 -0.15 0.00 1.58 0.56 0.00 0.00 179.97 181.20 2wro n HIS 57 N -4.34 0.00 -1.34 3.04 -0.00 0.42 -1.82 115.22 111.18 2wro n HIS 57 Ca -0.02 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.78 2wro n HIS 57 Cb 0.21 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.05 2wro n HIS 57 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2wro n PHE 58 N -0.38 2.55 -1.30 1.57 1.16 -1.21 -4.96 117.46 114.89 2wro n PHE 58 Ca 0.00 -2.92 -0.39 0.00 -1.87 0.00 0.00 57.45 52.27 2wro n PHE 58 Cb 0.00 -2.40 0.01 0.00 -1.61 0.00 0.00 39.48 35.48 2wro n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wro n ARG 59 N 4.33 0.10 -3.16 3.97 -4.01 -0.76 -0.97 116.66 116.17 2wro n ARG 59 Ca 0.68 0.04 -0.17 0.00 -1.04 0.00 0.00 57.85 57.37 2wro n ARG 59 Cb 0.26 -1.13 -0.02 0.00 -3.04 0.00 0.00 32.46 28.53 2wro n ARG 59 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2wro n ARG 60 N 1.20 -2.50 0.00 2.89 1.74 -1.26 -4.89 116.66 113.84 2wro n ARG 60 Ca 0.09 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2wro n ARG 60 Cb 0.46 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 2wro n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wro n GLY 61 N -0.82 0.96 0.00 -0.13 0.00 -0.14 -5.10 105.19 99.96 2wro n GLY 61 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wro n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 62 N 4.17 0.79 3.34 -0.02 0.00 -1.26 -5.01 105.19 107.21 2wro n GLY 62 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2wro n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wro s LYS 63 N 1.79 0.58 0.19 1.61 2.20 -1.18 -5.05 119.74 119.88 2wro s LYS 63 Ca 0.00 0.48 0.08 0.00 -0.36 0.00 0.00 55.97 56.18 2wro s LYS 63 Cb 0.00 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2wro s LYS 63 CO 0.00 -0.10 -0.17 0.42 -0.36 0.00 0.00 175.35 175.14 2wro s ILE 64 N -0.09 1.83 0.06 5.43 1.01 -1.26 -3.15 121.20 125.04 2wro s ILE 64 Ca -0.03 -2.07 -0.00 0.00 0.00 0.00 0.00 60.65 58.55 2wro s ILE 64 Cb -0.03 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2wro s ILE 64 CO 0.02 -0.43 -0.04 -0.36 0.00 0.00 0.00 174.94 174.12 2wro s PHE 65 N -2.44 0.61 -0.32 3.97 0.08 -1.25 -5.05 117.98 113.58 2wro s PHE 65 Ca 0.19 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.26 2wro s PHE 65 Cb -0.04 -0.41 0.10 0.00 -0.57 0.00 0.00 43.02 42.10 2wro s PHE 65 CO 0.07 -0.30 0.09 0.96 -0.10 0.00 0.00 175.22 175.94 2wro s ILE 66 N -3.64 1.22 -1.40 0.64 -4.36 -1.26 -3.34 121.20 109.07 2wro s ILE 66 Ca 0.07 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 2wro s ILE 66 Cb 0.06 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.85 2wro s ILE 66 CO -0.08 -0.66 0.54 0.54 0.24 0.00 0.00 174.94 175.51 2wro n ARG 67 N 4.67 0.00 -3.55 0.37 1.74 0.90 -4.64 116.66 116.15 2wro n ARG 67 Ca -0.00 0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 2wro n ARG 67 Cb 0.42 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 2wro n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wro s ILE 68 N -2.07 2.70 -0.29 0.55 -4.36 -1.26 -4.96 121.20 111.51 2wro s ILE 68 Ca 0.00 -1.33 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2wro s ILE 68 Cb 0.00 -3.01 0.18 0.00 1.25 0.00 0.00 42.46 40.88 2wro s ILE 68 CO 0.00 -0.01 0.58 0.12 0.24 0.00 0.00 174.94 175.88 2wro s PHE 69 N -2.46 -1.51 0.00 1.37 5.36 -1.26 -5.08 117.98 114.39 2wro s PHE 69 Ca 0.48 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 58.15 2wro s PHE 69 Cb -0.03 0.54 0.00 0.00 -0.34 0.00 0.00 43.02 43.19 2wro s PHE 69 CO 0.28 -0.85 0.83 -0.35 -1.46 0.00 0.00 175.22 173.67 2wro n PRO 70 N 5.43 0.46 0.00 10.12 -0.04 -1.24 -4.62 135.00 145.10 2wro n PRO 70 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2wro n PRO 70 Cb 0.51 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2wro n PRO 70 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wro n ASP 71 N 1.58 0.78 -4.03 3.54 5.75 -1.13 -2.23 116.55 120.81 2wro n ASP 71 Ca 0.00 -0.57 -0.31 0.00 -0.01 0.00 0.00 54.79 53.90 2wro n ASP 71 Cb 0.23 -0.14 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 2wro n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wro s LYS 72 N 0.51 1.70 -0.54 0.11 2.20 -1.06 -4.98 119.74 117.67 2wro s LYS 72 Ca 0.00 -1.73 -0.34 0.00 -0.36 0.00 0.00 55.97 53.54 2wro s LYS 72 Cb 0.00 -3.12 -0.14 0.00 -1.51 0.00 0.00 37.83 33.06 2wro s LYS 72 CO 0.00 -0.84 2.34 -2.30 -0.36 0.00 0.00 175.35 174.19 2wro n PRO 73 N 4.30 0.67 -1.03 4.03 -0.02 -1.26 -2.40 135.00 139.30 2wro n PRO 73 Ca -0.01 0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 61.30 2wro n PRO 73 Cb 0.42 -2.27 0.13 0.00 -0.02 0.00 0.00 33.50 31.76 2wro n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2wro s TYR 74 N 8.32 2.16 -0.26 6.00 6.14 -1.00 -4.64 117.35 134.06 2wro s TYR 74 Ca 1.15 1.58 -0.01 0.00 0.64 0.00 0.00 57.07 60.43 2wro s TYR 74 Cb -0.93 -3.17 0.14 0.00 0.42 0.00 0.00 41.96 38.42 2wro s TYR 74 CO 0.48 -2.32 0.36 0.99 0.64 0.00 0.00 175.55 175.69 2wro s THR 75 N -2.80 -0.55 0.37 4.34 2.01 -1.26 -3.26 115.64 114.48 2wro s THR 75 Ca 0.64 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.50 2wro s THR 75 Cb -0.20 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.37 2wro s THR 75 CO 0.57 -0.24 0.04 -0.75 -0.69 0.00 0.00 174.62 173.55 2wro s LYS 76 N 2.49 2.07 0.30 4.92 2.20 -0.43 -4.86 119.74 126.43 2wro s LYS 76 Ca 0.11 -1.84 0.09 0.00 -0.36 0.00 0.00 55.97 53.96 2wro s LYS 76 Cb -0.14 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2wro s LYS 76 CO -0.23 0.06 0.10 0.15 -0.36 0.00 0.00 175.35 175.07 2wro s LYS 77 N -3.75 2.43 -0.15 4.03 1.02 -1.26 -1.05 119.74 121.02 2wro s LYS 77 Ca 0.36 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 2wro s LYS 77 Cb 0.02 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2wro s LYS 77 CO 0.20 0.24 1.20 -2.14 -0.92 0.00 0.00 175.35 173.92 2wro s PRO 78 N -3.79 4.28 0.16 -1.68 0.02 -1.26 -4.95 135.00 127.78 2wro s PRO 78 Ca 0.35 1.60 -0.20 0.00 0.02 0.00 0.00 61.00 62.77 2wro s PRO 78 Cb -0.05 -3.68 -0.12 0.00 0.02 0.00 0.00 34.50 30.67 2wro s PRO 78 CO 0.22 -0.61 0.36 -0.11 -0.33 0.00 0.00 177.00 176.52 2wro n LEU 79 N 6.14 -1.01 -0.33 -5.54 0.00 -1.26 -1.94 117.00 113.06 2wro n LEU 79 Ca 0.13 0.81 -0.04 0.00 0.00 0.00 0.00 56.01 56.90 2wro n LEU 79 Cb 0.46 -0.69 -0.02 0.00 0.00 0.00 0.00 43.42 43.17 2wro n LEU 79 CO 0.55 -2.25 -0.04 -0.62 0.00 0.00 0.00 177.39 175.02 2wro n GLU 80 N 0.75 -1.06 -3.15 1.96 1.02 -1.26 -5.02 120.64 113.87 2wro n GLU 80 Ca 0.13 0.52 -0.33 0.00 -0.02 0.00 0.00 57.16 57.45 2wro n GLU 80 Cb 0.19 -4.45 -0.06 0.00 -0.02 0.00 0.00 31.44 27.10 2wro n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wro s VAL 81 N -1.78 4.67 0.95 2.62 0.11 -0.82 -5.07 120.40 121.08 2wro s VAL 81 Ca 0.00 1.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.93 2wro s VAL 81 Cb 0.00 -3.68 0.16 0.00 -1.53 0.00 0.00 36.38 31.33 2wro s VAL 81 CO 0.00 -0.06 1.11 -0.13 -3.33 0.00 0.00 175.10 172.69 2wro s ARG 82 N -2.66 0.86 1.25 1.54 1.81 -1.26 -5.02 118.95 115.48 2wro s ARG 82 Ca 0.50 0.46 -0.16 0.00 -1.72 0.00 0.00 55.73 54.81 2wro s ARG 82 Cb -0.12 -1.79 0.31 0.00 -0.45 0.00 0.00 34.95 32.90 2wro s ARG 82 CO 0.19 -2.42 1.00 -1.64 -0.68 0.00 0.00 175.30 171.74 2wro s MET 83 N -5.10 -1.62 0.00 3.54 -1.94 -1.26 -4.83 119.30 108.10 2wro s MET 83 Ca 0.64 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 55.18 2wro s MET 83 Cb -0.17 -1.49 0.00 0.00 2.01 0.00 0.00 34.83 35.18 2wro s MET 83 CO 0.56 -4.12 0.00 0.41 -0.01 0.00 0.00 175.02 171.86 2wro n GLY 84 N 0.90 1.96 3.92 -0.03 0.00 -1.26 -4.90 105.19 105.78 2wro n GLY 84 Ca 0.06 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2wro n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wro n LYS 85 N 12.12 -0.61 0.00 1.61 4.76 -1.26 -4.22 118.16 130.56 2wro n LYS 85 Ca 0.00 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2wro n LYS 85 Cb 0.00 -3.11 0.00 0.00 -1.84 0.00 0.00 35.03 30.08 2wro n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wro n GLY 86 N -1.94 0.50 0.00 0.72 0.00 -1.26 -4.95 105.19 98.26 2wro n GLY 86 Ca -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2wro n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wro n LYS 87 N 0.00 0.00 -0.00 1.61 4.81 -1.26 -5.16 118.16 118.16 2wro n LYS 87 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wro n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wro n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wro n GLY 88 N 0.00 -0.00 0.13 3.14 0.00 -1.26 -4.95 105.19 102.25 2wro n GLY 88 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wro n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wro n ASN 89 N 0.00 -0.60 -4.92 1.61 4.13 -0.21 -4.51 115.26 110.76 2wro n ASN 89 Ca 0.00 -0.73 -0.26 0.00 1.68 0.00 0.00 54.58 55.27 2wro n ASN 89 Cb 0.00 -0.04 0.07 0.00 -1.54 0.00 0.00 39.78 38.28 2wro n ASN 89 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wro s VAL 90 N -1.08 2.23 0.00 2.41 1.01 -1.26 -1.31 120.40 122.39 2wro s VAL 90 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2wro s VAL 90 Cb -0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2wro s VAL 90 CO 0.02 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.50 2wro n GLU 91 N -2.99 0.00 0.00 2.72 -0.58 -1.20 -4.58 120.64 114.01 2wro n GLU 91 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2wro n GLU 91 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 2wro n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wro n GLY 92 N 0.53 4.56 3.40 0.62 0.00 -1.26 -4.96 105.19 108.08 2wro n GLY 92 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 2wro n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wro s TYR 93 N 2.64 0.39 0.35 1.61 1.51 -1.26 -2.39 117.35 120.21 2wro s TYR 93 Ca 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.32 2wro s TYR 93 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 41.96 41.85 2wro s TYR 93 CO 0.00 -0.79 0.45 1.33 -1.11 0.00 0.00 175.55 175.44 2wro n VAL 94 N -0.26 0.00 -4.23 0.71 0.24 -0.95 -2.51 118.33 111.33 2wro n VAL 94 Ca -0.06 -1.96 -0.17 0.00 -2.04 0.00 0.00 64.34 60.11 2wro n VAL 94 Cb 0.63 1.14 -0.11 0.00 -1.47 0.00 0.00 33.84 34.03 2wro n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wro s ALA 95 N -2.93 1.45 -0.33 2.33 0.00 -0.80 -2.56 121.76 118.93 2wro s ALA 95 Ca 0.32 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 2wro s ALA 95 Cb -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 2wro s ALA 95 CO 0.23 0.08 1.87 0.28 0.00 0.00 0.00 175.76 178.22 2wro n VAL 96 N 0.51 1.59 -2.39 0.00 0.31 -1.26 -4.16 118.33 112.92 2wro n VAL 96 Ca -0.15 -0.88 -0.36 0.00 -0.01 0.00 0.00 64.34 62.94 2wro n VAL 96 Cb 0.57 -1.84 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 2wro n VAL 96 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wro s VAL 97 N 2.86 3.77 -0.41 2.52 -7.23 -1.26 -4.95 120.40 115.70 2wro s VAL 97 Ca 0.30 -0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 59.66 2wro s VAL 97 Cb 0.11 -4.73 0.03 0.00 0.56 0.00 0.00 36.38 32.35 2wro s VAL 97 CO -0.01 -1.62 0.28 -0.54 -0.31 0.00 0.00 175.10 172.90 2wro s LYS 98 N 5.61 2.91 -0.07 4.82 1.02 -1.26 -3.78 119.74 129.00 2wro s LYS 98 Ca 0.54 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 2wro s LYS 98 Cb -0.02 -3.92 -0.05 0.00 -0.52 0.00 0.00 37.83 33.32 2wro s LYS 98 CO -0.06 -0.77 0.36 -2.30 -0.92 0.00 0.00 175.35 171.66 2wro n PRO 99 N 5.11 0.00 0.00 -1.68 -0.02 -1.26 -3.05 135.00 134.10 2wro n PRO 99 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2wro n PRO 99 Cb 0.46 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 2wro n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wro n GLY 100 N 0.76 1.09 3.68 -1.23 0.00 -1.02 -4.54 105.19 103.92 2wro n GLY 100 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2wro n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wro s ARG 101 N 0.00 4.17 0.20 1.61 6.06 -1.17 -1.81 118.95 128.01 2wro s ARG 101 Ca 0.00 0.09 -0.30 0.00 -2.50 0.00 0.00 55.73 53.03 2wro s ARG 101 Cb 0.00 -3.52 -0.08 0.00 0.06 0.00 0.00 34.95 31.41 2wro s ARG 101 CO 0.00 0.02 0.93 0.08 -2.50 0.00 0.00 175.30 173.84 2wro s VAL 102 N 1.13 4.21 -0.09 7.11 1.01 -1.26 -2.77 120.40 129.74 2wro s VAL 102 Ca 0.16 2.05 -0.10 0.00 0.00 0.00 0.00 61.98 64.09 2wro s VAL 102 Cb -0.14 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2wro s VAL 102 CO 0.07 0.45 -0.20 0.23 0.00 0.00 0.00 175.10 175.65 2wro n MET 103 N 1.86 0.30 -4.42 2.72 0.00 -0.83 -4.37 117.12 112.38 2wro n MET 103 Ca -0.01 0.12 -0.26 0.00 0.00 0.00 0.00 57.70 57.55 2wro n MET 103 Cb 0.48 -1.01 -0.11 0.00 0.00 0.00 0.00 33.22 32.58 2wro n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2wro s PHE 104 N -2.20 2.35 -0.30 2.03 0.40 -1.25 0.31 117.98 119.32 2wro s PHE 104 Ca -0.17 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 2wro s PHE 104 Cb 0.02 -1.10 0.17 0.00 0.51 0.00 0.00 43.02 42.62 2wro s PHE 104 CO 0.25 0.59 0.60 -1.83 0.70 0.00 0.00 175.22 175.53 2wro s GLU 105 N -3.07 0.56 0.36 0.44 -1.05 -1.21 -2.11 118.70 112.62 2wro s GLU 105 Ca 0.25 1.13 -0.01 0.00 -0.15 0.00 0.00 54.97 56.19 2wro s GLU 105 Cb -0.07 0.62 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 2wro s GLU 105 CO 0.13 -0.49 0.59 0.14 0.95 0.00 0.00 175.26 176.58 2wro s VAL 106 N 2.86 5.06 -0.20 1.83 -7.23 -1.26 -3.89 120.40 117.57 2wro s VAL 106 Ca 0.12 -0.26 -0.20 0.00 -1.81 0.00 0.00 61.98 59.83 2wro s VAL 106 Cb -0.14 -3.84 0.05 0.00 0.56 0.00 0.00 36.38 33.01 2wro s VAL 106 CO -0.20 -0.57 0.56 0.00 -0.31 0.00 0.00 175.10 174.58 2wro s ALA 107 N -2.35 -1.39 0.00 1.32 0.00 -1.19 -1.68 121.76 116.48 2wro s ALA 107 Ca 0.42 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2wro s ALA 107 Cb -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2wro s ALA 107 CO 0.36 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2wro n GLY 108 N 2.66 1.07 3.47 0.00 0.00 -1.26 -3.08 105.19 108.04 2wro n GLY 108 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2wro n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wro s VAL 109 N -2.00 1.40 0.22 1.61 1.01 -1.26 -4.55 120.40 116.83 2wro s VAL 109 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 2wro s VAL 109 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 2wro s VAL 109 CO 0.00 -0.08 1.12 0.28 0.00 0.00 0.00 175.10 176.42 2wro s THR 110 N -3.15 3.65 0.30 3.92 -1.32 -1.26 -4.90 115.64 112.88 2wro s THR 110 Ca 0.34 1.51 0.04 0.00 -1.21 0.00 0.00 61.69 62.37 2wro s THR 110 Cb 0.08 -3.96 0.29 0.00 -1.51 0.00 0.00 72.50 67.40 2wro s THR 110 CO 0.15 0.30 1.82 -0.08 -2.21 0.00 0.00 174.62 174.59 2wro h GLU 111 N 4.62 0.86 -0.25 7.08 4.81 -2.00 -0.30 114.58 129.40 2wro h GLU 111 Ca -0.45 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2wro h GLU 111 Cb 1.21 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 2wro h GLU 111 CO 0.71 0.57 -0.40 1.49 -0.73 0.00 0.00 179.01 180.65 2wro h GLU 112 N 0.89 -0.30 0.63 1.92 4.81 -1.98 0.43 114.58 120.97 2wro h GLU 112 Ca 0.52 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 2wro h GLU 112 Cb 0.66 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.11 2wro h GLU 112 CO -0.30 -0.20 -0.30 1.96 -0.73 0.00 0.00 179.01 179.44 2wro h GLN 113 N -0.31 -0.81 -0.76 1.92 4.20 -1.63 -3.07 115.11 114.64 2wro h GLN 113 Ca 0.05 0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.96 2wro h GLN 113 Cb 0.44 0.18 -0.14 0.00 0.30 0.00 0.00 27.48 28.26 2wro h GLN 113 CO -0.40 -0.50 -0.20 0.00 -0.67 0.00 0.00 178.83 177.05 2wro h ALA 114 N -0.75 0.47 0.00 3.87 0.00 -1.02 3.11 119.26 124.93 2wro h ALA 114 Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wro h ALA 114 Cb 0.69 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wro h ALA 114 CO 0.14 -0.43 0.07 -1.33 0.00 0.00 0.00 179.25 177.71 2wro n MET 115 N -5.50 0.07 0.00 0.00 2.81 0.13 0.78 117.12 115.41 2wro n MET 115 Ca 0.10 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 2wro n MET 115 Cb 0.39 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 2wro n MET 115 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wro n GLU 116 N -1.87 0.00 -0.20 0.03 4.07 0.85 -4.14 120.64 119.37 2wro n GLU 116 Ca -0.01 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.18 2wro n GLU 116 Cb 0.09 -0.35 0.17 0.00 -0.06 0.00 0.00 31.44 31.29 2wro n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wro n ALA 117 N -2.42 0.30 0.37 4.31 0.00 0.83 0.16 120.51 124.06 2wro n ALA 117 Ca 0.00 0.63 -0.15 0.00 0.00 0.00 0.00 53.44 53.93 2wro n ALA 117 Cb 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2wro n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wro h LEU 118 N 0.00 -0.81 -0.27 0.00 3.38 0.19 -3.23 115.31 114.57 2wro h LEU 118 Ca 0.36 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.45 2wro h LEU 118 Cb 0.73 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2wro h LEU 118 CO -0.56 -0.54 0.10 -1.14 0.09 0.00 0.00 178.44 176.40 2wro n ARG 119 N -4.78 -0.02 0.16 1.13 0.63 0.43 -0.06 116.66 114.16 2wro n ARG 119 Ca -0.12 0.37 -0.14 0.00 -0.92 0.00 0.00 57.85 57.05 2wro n ARG 119 Cb 0.38 -0.65 -0.08 0.00 0.45 0.00 0.00 32.46 32.56 2wro n ARG 119 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2wro h ILE 120 N 0.00 0.76 -1.51 5.15 1.08 -1.56 -2.58 117.51 118.86 2wro h ILE 120 Ca 0.21 -0.30 0.45 0.00 -0.39 0.00 0.00 64.86 64.82 2wro h ILE 120 Cb 0.52 0.93 -0.08 0.00 -3.07 0.00 0.00 36.82 35.12 2wro h ILE 120 CO -0.22 0.06 1.06 0.00 -0.69 0.00 0.00 178.15 178.37 2wro h ALA 121 N 0.14 3.27 0.00 1.87 0.00 -0.63 0.88 119.26 124.80 2wro h ALA 121 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wro h ALA 121 Cb 0.39 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wro h ALA 121 CO 0.06 -1.77 -0.06 0.78 0.00 0.00 0.00 179.25 178.26 2wro h GLY 122 N 0.04 0.00 0.57 0.00 0.00 -1.52 -0.48 103.07 101.69 2wro h GLY 122 Ca 0.77 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.81 2wro h GLY 122 CO -0.12 0.00 -1.94 1.42 0.00 0.00 0.00 176.54 175.91 2wro n HIS 123 N -3.32 0.58 0.34 5.60 8.25 0.30 -3.88 115.22 123.09 2wro n HIS 123 Ca -0.01 0.21 0.15 0.00 -0.26 0.00 0.00 57.72 57.80 2wro n HIS 123 Cb 0.23 -1.07 0.58 0.00 1.12 0.00 0.00 29.99 30.84 2wro n HIS 123 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2wro h LYS 124 N 0.00 0.00 -7.16 -0.41 1.79 -0.39 -3.44 116.57 106.96 2wro h LYS 124 Ca -0.36 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.65 2wro h LYS 124 Cb 2.00 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 32.74 2wro h LYS 124 CO 0.05 0.00 0.13 -0.51 -1.08 0.00 0.00 179.45 178.04 2wro s LEU 125 N -5.34 2.98 0.00 2.94 1.43 -0.29 -4.86 118.68 115.54 2wro s LEU 125 Ca 0.03 -0.15 0.24 0.00 -1.03 0.00 0.00 54.13 53.22 2wro s LEU 125 Cb 0.09 -2.29 0.30 0.00 0.03 0.00 0.00 46.19 44.31 2wro s LEU 125 CO 0.48 -1.80 1.32 -0.81 0.23 0.00 0.00 176.35 175.78 2wro n PRO 126 N -2.85 2.41 -1.03 1.29 -0.04 -1.26 -4.99 135.00 128.52 2wro n PRO 126 Ca 0.13 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 2wro n PRO 126 Cb 0.60 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2wro n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wro n ILE 127 N 1.42 0.00 -3.72 0.52 -5.35 -1.26 -5.13 119.36 105.84 2wro n ILE 127 Ca 0.16 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.38 2wro n ILE 127 Cb 0.60 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.48 2wro n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wro s LYS 128 N -0.55 3.50 0.00 6.28 1.02 -1.26 -4.84 119.74 123.88 2wro s LYS 128 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.58 2wro s LYS 128 Cb 0.00 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2wro s LYS 128 CO 0.00 0.39 0.00 0.25 -0.92 0.00 0.00 175.35 175.07 2wro n THR 129 N -0.86 0.00 -3.65 2.17 -2.24 -1.26 -3.86 114.28 104.57 2wro n THR 129 Ca -0.05 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 2wro n THR 129 Cb 0.54 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 2wro n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wro s LYS 130 N 0.96 0.03 -0.14 -0.78 2.20 -1.06 -4.84 119.74 116.11 2wro s LYS 130 Ca 0.00 0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 2wro s LYS 130 Cb 0.00 0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.31 2wro s LYS 130 CO 0.00 -0.00 -0.06 0.42 -0.36 0.00 0.00 175.35 175.34 2wro s ILE 131 N 0.02 3.68 0.12 5.43 1.09 -1.26 0.31 121.20 130.60 2wro s ILE 131 Ca 0.08 -0.44 0.01 0.00 -1.10 0.00 0.00 60.65 59.20 2wro s ILE 131 Cb -0.05 -2.59 -0.00 0.00 -1.06 0.00 0.00 42.46 38.76 2wro s ILE 131 CO -0.16 0.51 0.03 1.33 -0.10 0.00 0.00 174.94 176.55 2wro n VAL 132 N 3.38 0.00 0.00 2.92 0.24 -0.13 -4.96 118.33 119.79 2wro n VAL 132 Ca -0.18 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 2wro n VAL 132 Cb 0.53 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 2wro n VAL 132 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wro n ARG 133 N -0.28 0.00 0.00 7.34 1.74 -1.26 -3.14 116.66 121.06 2wro n ARG 133 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2wro n ARG 133 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 2wro n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wro n ARG 134 N 0.00 0.05 0.00 5.56 1.74 -1.26 -4.65 116.66 118.10 2wro n ARG 134 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wro n ARG 134 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 2wro n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wro n ASP 135 N -0.01 0.00 0.01 0.55 8.00 -1.26 0.17 116.55 124.01 2wro n ASP 135 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 2wro n ASP 135 Cb 0.05 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.34 2wro n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wro n ALA 136 N -0.59 3.59 0.29 2.24 0.00 -1.26 -4.13 120.51 120.65 2wro n ALA 136 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2wro n ALA 136 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2wro n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wro n TYR 137 N -1.60 0.00 -3.48 0.00 4.01 0.13 -4.59 117.16 111.64 2wro n TYR 137 Ca 0.05 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 2wro n TYR 137 Cb 0.35 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.28 2wro n TYR 137 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wro s ASP 138 N -1.57 6.13 -0.60 7.72 1.01 -1.16 -4.52 116.67 123.67 2wro s ASP 138 Ca 0.00 -0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.24 2wro s ASP 138 Cb 0.00 -2.17 0.16 0.00 1.01 0.00 0.00 42.92 41.92 2wro s ASP 138 CO 0.00 -0.20 0.40 -1.61 0.21 0.00 0.00 175.17 173.97 2wro s GLU 139 N 1.91 2.02 0.00 8.23 0.41 -1.26 -4.94 118.70 125.07 2wro s GLU 139 Ca 0.10 -2.89 0.00 0.00 -0.41 0.00 0.00 54.97 51.78 2wro s GLU 139 Cb -0.16 -3.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2wro s GLU 139 CO 0.11 -1.25 0.00 0.00 -0.49 0.00 0.00 175.26 173.62 2wro n ALA 140 N 2.48 0.99 0.00 5.21 0.00 -1.26 -5.21 120.51 122.72 2wro n ALA 140 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wro n ALA 140 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2wro n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54