#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsb s ASP 2 N 0.00 5.91 0.58 6.12 -1.08 -1.26 -4.93 116.67 122.00 2wsb s ASP 2 Ca 0.00 -1.59 0.36 0.00 -0.52 0.00 0.00 52.55 50.80 2wsb s ASP 2 Cb 0.00 -2.09 1.62 0.00 -1.46 0.00 0.00 42.92 40.98 2wsb s ASP 2 CO 0.00 -0.66 2.08 1.88 0.52 0.00 0.00 175.17 178.99 2wsb h TYR 3 N 8.61 0.00 0.00 -5.34 0.05 -2.06 -2.07 116.97 116.16 2wsb h TYR 3 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2wsb h TYR 3 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2wsb h TYR 3 CO 0.65 0.01 0.00 0.54 -1.05 0.00 0.00 178.16 178.31 2wsb n ARG 4 N -3.11 0.14 0.00 4.88 1.74 -1.26 -3.72 116.66 115.33 2wsb n ARG 4 Ca -0.00 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2wsb n ARG 4 Cb 0.25 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2wsb n ARG 4 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wsb n THR 5 N -1.95 0.00 0.27 0.55 -2.24 -0.90 -4.86 114.28 105.15 2wsb n THR 5 Ca 0.05 -0.37 0.14 0.00 -2.27 0.00 0.00 64.05 61.60 2wsb n THR 5 Cb 0.33 1.26 0.79 0.00 -2.10 0.00 0.00 70.33 70.61 2wsb n THR 5 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2wsb h VAL 6 N 0.26 0.52 -0.05 2.28 3.04 -1.47 -0.37 116.25 120.45 2wsb h VAL 6 Ca 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2wsb h VAL 6 Cb 0.13 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2wsb h VAL 6 CO 0.00 0.08 0.00 0.49 -1.01 0.00 0.00 177.57 177.13 2wsb n PHE 7 N -3.66 0.06 -2.35 3.17 3.72 -1.26 -1.84 117.46 115.30 2wsb n PHE 7 Ca -0.02 -0.03 -0.26 0.00 -0.05 0.00 0.00 57.45 57.10 2wsb n PHE 7 Cb 0.20 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.78 2wsb n PHE 7 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wsb s ARG 8 N -1.94 2.56 -0.11 -1.08 0.52 -0.15 -4.85 118.95 113.89 2wsb s ARG 8 Ca 0.37 -0.21 0.14 0.00 -0.52 0.00 0.00 55.73 55.51 2wsb s ARG 8 Cb 0.20 -2.26 0.31 0.00 0.52 0.00 0.00 34.95 33.72 2wsb s ARG 8 CO 0.31 -0.93 1.15 1.28 0.02 0.00 0.00 175.30 177.13 2wsb n LEU 9 N -2.70 1.84 -4.74 2.53 4.77 0.55 -4.53 117.00 114.73 2wsb n LEU 9 Ca 0.06 -2.82 -0.42 0.00 -0.03 0.00 0.00 56.01 52.80 2wsb n LEU 9 Cb 0.59 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2wsb n LEU 9 CO 0.52 0.83 1.28 0.47 -1.33 0.00 0.00 177.39 179.15 2wsb n ASP 10 N -0.77 3.91 0.00 -1.43 8.00 -1.14 -1.14 116.55 123.98 2wsb n ASP 10 Ca 0.13 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2wsb n ASP 10 Cb 0.75 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2wsb n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wsb n GLY 11 N 2.54 1.96 3.89 0.44 0.00 -1.24 -4.98 105.19 107.80 2wsb n GLY 11 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2wsb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 12 N -3.52 3.36 -0.16 4.61 0.00 -0.30 -4.94 121.76 120.81 2wsb s ALA 12 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2wsb s ALA 12 Cb 0.00 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.46 2wsb s ALA 12 CO 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 175.76 175.40 2wsb s ALA 14 N 1.23 2.74 -0.09 0.00 0.00 0.07 -1.26 121.76 124.45 2wsb s ALA 14 Ca 0.02 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 2wsb s ALA 14 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2wsb s ALA 14 CO -0.10 0.38 0.36 0.00 0.00 0.00 0.00 175.76 176.39 2wsb s ALA 15 N -0.12 3.63 -0.19 0.00 0.00 0.25 -0.53 121.76 124.81 2wsb s ALA 15 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2wsb s ALA 15 Cb -0.13 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.63 2wsb s ALA 15 CO 0.03 0.26 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 2wsb s VAL 16 N -0.19 1.39 0.34 0.00 1.01 -0.45 -0.50 120.40 122.00 2wsb s VAL 16 Ca 0.21 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 2wsb s VAL 16 Cb -0.15 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 2wsb s VAL 16 CO 0.08 0.13 0.77 0.42 0.00 0.00 0.00 175.10 176.50 2wsb s THR 17 N 1.50 4.64 -0.65 3.92 -4.23 -0.24 -1.38 115.64 119.20 2wsb s THR 17 Ca -0.01 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 2wsb s THR 17 Cb -0.16 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2wsb s THR 17 CO -0.08 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 2wsb n GLY 18 N -0.42 0.70 0.18 3.99 0.00 -0.03 -2.20 105.19 107.41 2wsb n GLY 18 Ca 0.04 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.46 2wsb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb h ALA 19 N 0.07 1.00 0.00 4.61 0.00 -1.54 -3.22 119.26 120.18 2wsb h ALA 19 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wsb h ALA 19 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wsb h ALA 19 CO 0.19 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.22 2wsb h GLY 20 N 1.62 0.00 -2.90 0.00 0.00 -1.85 -3.22 103.07 96.71 2wsb h GLY 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2wsb h GLY 20 CO 0.00 0.00 -0.28 -0.45 0.00 0.00 0.00 176.54 175.81 2wsb s SER 21 N -4.75 0.01 1.04 0.19 0.15 -1.21 -4.76 113.70 104.37 2wsb s SER 21 Ca 0.08 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2wsb s SER 21 Cb 0.10 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2wsb s SER 21 CO 0.54 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2wsb n GLY 22 N -0.18 2.69 0.18 9.45 0.00 -1.26 -1.99 105.19 114.08 2wsb n GLY 22 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2wsb n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wsb h ILE 23 N 0.00 1.19 -0.81 -0.61 2.04 -1.92 -1.89 117.51 115.50 2wsb h ILE 23 Ca 0.00 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.38 2wsb h ILE 23 Cb 0.00 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2wsb h ILE 23 CO 0.00 0.20 0.46 1.23 0.00 0.00 0.00 178.15 180.05 2wsb h GLY 24 N 0.45 1.26 1.08 5.37 0.00 -1.63 0.12 103.07 109.73 2wsb h GLY 24 Ca 0.12 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 2wsb h GLY 24 CO -0.01 0.14 -0.19 -2.00 0.00 0.00 0.00 176.54 174.47 2wsb h LEU 25 N 0.79 0.98 -0.88 3.11 5.85 -1.27 -1.05 115.31 122.83 2wsb h LEU 25 Ca 0.39 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2wsb h LEU 25 Cb 0.34 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2wsb h LEU 25 CO -0.24 1.15 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.57 2wsb h GLU 26 N 0.81 0.38 -0.45 1.25 4.57 -0.92 -1.11 114.58 119.11 2wsb h GLU 26 Ca 0.11 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2wsb h GLU 26 Cb 0.77 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 2wsb h GLU 26 CO 0.06 0.69 0.04 0.82 -1.18 0.00 0.00 179.01 179.45 2wsb h ILE 27 N 0.32 1.22 -0.76 2.32 2.04 -0.39 0.16 117.51 122.42 2wsb h ILE 27 Ca 0.04 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2wsb h ILE 27 Cb 0.79 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2wsb h ILE 27 CO 0.06 0.31 0.42 0.00 0.00 0.00 0.00 178.15 178.94 2wsb h ARG 29 N 1.04 0.43 -0.50 0.00 3.08 -0.46 0.02 114.38 117.99 2wsb h ARG 29 Ca 0.27 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2wsb h ARG 29 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2wsb h ARG 29 CO -0.04 0.28 0.22 0.00 -1.07 0.00 0.00 179.97 179.36 2wsb h ALA 30 N 1.14 0.64 -0.49 0.04 0.00 -0.40 -1.05 119.26 119.14 2wsb h ALA 30 Ca 0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2wsb h ALA 30 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2wsb h ALA 30 CO -0.04 0.23 -0.14 0.74 0.00 0.00 0.00 179.25 180.04 2wsb h PHE 31 N 0.66 1.09 -0.46 0.00 -1.00 -0.41 -2.24 116.94 114.58 2wsb h PHE 31 Ca 0.17 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 2wsb h PHE 31 Cb 0.15 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 2wsb h PHE 31 CO -0.00 1.05 0.03 0.00 -1.61 0.00 0.00 178.31 177.78 2wsb h ALA 32 N 0.89 1.20 0.00 2.45 0.00 -0.80 -1.54 119.26 121.46 2wsb h ALA 32 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wsb h ALA 32 Cb 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wsb h ALA 32 CO 0.05 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2wsb h ALA 33 N 1.34 1.00 -0.55 0.00 0.00 -0.98 -1.80 119.26 118.28 2wsb h ALA 33 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wsb h ALA 33 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wsb h ALA 33 CO 0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.69 2wsb n SER 34 N -3.03 3.38 0.00 0.00 7.64 -0.66 -4.94 113.62 116.00 2wsb n SER 34 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2wsb n SER 34 Cb 0.26 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2wsb n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsb n GLY 35 N 1.51 0.45 3.85 0.23 0.00 -0.68 -0.33 105.19 110.22 2wsb n GLY 35 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2wsb n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 36 N -2.08 3.11 0.54 4.61 0.00 -0.70 -3.66 121.76 123.59 2wsb s ALA 36 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2wsb s ALA 36 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2wsb s ALA 36 CO 0.00 -0.15 0.79 1.03 0.00 0.00 0.00 175.76 177.43 2wsb s ARG 37 N -3.92 2.84 -0.00 0.00 1.81 0.29 -4.32 118.95 115.65 2wsb s ARG 37 Ca 0.58 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 54.23 2wsb s ARG 37 Cb -0.10 -2.42 -0.01 0.00 -0.45 0.00 0.00 34.95 31.97 2wsb s ARG 37 CO 0.29 -0.58 -0.08 -0.51 -0.68 0.00 0.00 175.30 173.75 2wsb s LEU 38 N -4.79 2.04 -0.35 2.53 1.43 0.08 -0.75 118.68 118.87 2wsb s LEU 38 Ca 0.53 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2wsb s LEU 38 Cb -0.10 -0.37 0.05 0.00 0.03 0.00 0.00 46.19 45.80 2wsb s LEU 38 CO 0.41 0.07 0.12 -0.63 0.23 0.00 0.00 176.35 176.54 2wsb s ILE 39 N -0.28 3.77 -0.01 -0.59 -1.09 0.31 -0.06 121.20 123.23 2wsb s ILE 39 Ca 0.02 -1.20 -0.21 0.00 -2.23 0.00 0.00 60.65 57.03 2wsb s ILE 39 Cb -0.03 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 2wsb s ILE 39 CO -0.00 -0.22 0.60 -0.76 -1.23 0.00 0.00 174.94 173.32 2wsb s LEU 40 N 1.39 4.40 -0.05 2.97 1.43 -0.29 -1.34 118.68 127.20 2wsb s LEU 40 Ca -0.01 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2wsb s LEU 40 Cb -0.20 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.11 2wsb s LEU 40 CO 0.02 0.08 -0.06 -0.63 0.23 0.00 0.00 176.35 175.99 2wsb s ILE 41 N -0.08 0.67 -0.07 -0.59 1.01 -0.48 -0.56 121.20 121.10 2wsb s ILE 41 Ca 0.31 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2wsb s ILE 41 Cb -0.18 -0.66 0.10 0.00 0.01 0.00 0.00 42.46 41.73 2wsb s ILE 41 CO 0.17 0.25 0.83 -0.62 0.00 0.00 0.00 174.94 175.57 2wsb s ASP 42 N 0.78 -0.49 0.34 3.58 -1.08 -1.01 -0.85 116.67 117.94 2wsb s ASP 42 Ca -0.12 0.42 0.18 0.00 -0.52 0.00 0.00 52.55 52.52 2wsb s ASP 42 Cb -0.14 0.43 0.22 0.00 -1.46 0.00 0.00 42.92 41.96 2wsb s ASP 42 CO 0.01 -0.53 1.53 0.08 0.52 0.00 0.00 175.17 176.77 2wsb h ARG 43 N 2.58 0.00 -5.33 4.34 0.11 -1.80 -1.57 114.38 112.71 2wsb h ARG 43 Ca -0.23 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.19 2wsb h ARG 43 Cb 1.18 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.10 2wsb h ARG 43 CO 0.34 0.32 0.24 -2.00 0.10 0.00 0.00 179.97 178.97 2wsb s GLU 44 N -3.09 3.21 0.33 0.08 2.12 -1.26 -4.77 118.70 115.32 2wsb s GLU 44 Ca 0.05 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2wsb s GLU 44 Cb 0.07 -4.07 0.57 0.00 0.26 0.00 0.00 34.13 30.96 2wsb s GLU 44 CO 0.71 -1.30 1.85 0.00 -0.54 0.00 0.00 175.26 175.98 2wsb h ALA 45 N 9.10 1.33 -0.44 6.30 0.00 -2.00 -1.93 119.26 131.62 2wsb h ALA 45 Ca -0.27 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 2wsb h ALA 45 Cb 1.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wsb h ALA 45 CO 1.00 0.46 -0.26 0.00 0.00 0.00 0.00 179.25 180.45 2wsb h ALA 46 N 1.47 0.71 -0.40 0.00 0.00 -1.99 -0.03 119.26 119.01 2wsb h ALA 46 Ca 0.11 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 46 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wsb h ALA 46 CO 0.02 0.67 -0.34 0.00 0.00 0.00 0.00 179.25 179.59 2wsb h ALA 47 N 0.90 0.63 -0.61 0.00 0.00 -1.85 0.13 119.26 118.46 2wsb h ALA 47 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2wsb h ALA 47 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2wsb h ALA 47 CO 0.07 0.68 0.40 -0.07 0.00 0.00 0.00 179.25 180.32 2wsb h LEU 48 N 0.77 0.68 -0.69 0.00 3.38 -0.89 -0.02 115.31 118.54 2wsb h LEU 48 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2wsb h LEU 48 Cb 0.93 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2wsb h LEU 48 CO 0.09 0.49 0.17 0.44 0.09 0.00 0.00 178.44 179.71 2wsb h ASP 49 N 0.80 1.05 -0.31 -0.43 3.32 -0.59 0.25 116.42 120.50 2wsb h ASP 49 Ca 0.23 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2wsb h ASP 49 Cb -0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 2wsb h ASP 49 CO -0.06 1.01 -0.19 -0.09 -1.72 0.00 0.00 179.24 178.19 2wsb h ARG 50 N 1.04 0.78 -0.53 3.56 2.43 -0.70 -0.04 114.38 120.92 2wsb h ARG 50 Ca 0.22 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2wsb h ARG 50 Cb 0.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2wsb h ARG 50 CO 0.00 0.91 0.02 0.00 -1.51 0.00 0.00 179.97 179.40 2wsb h ALA 51 N 1.10 0.71 -0.36 2.80 0.00 -0.65 -2.00 119.26 120.86 2wsb h ALA 51 Ca 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2wsb h ALA 51 Cb 0.69 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2wsb h ALA 51 CO 0.05 0.50 0.04 0.00 0.00 0.00 0.00 179.25 179.84 2wsb h ALA 52 N 0.96 1.40 -0.37 0.00 0.00 -0.12 -0.81 119.26 120.31 2wsb h ALA 52 Ca 0.15 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2wsb h ALA 52 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wsb h ALA 52 CO 0.02 0.43 -0.40 1.96 0.00 0.00 0.00 179.25 181.26 2wsb h GLN 53 N 0.53 0.93 -0.46 0.00 7.50 -0.72 -1.12 115.11 121.77 2wsb h GLN 53 Ca 0.12 -0.50 -0.14 0.00 0.50 0.00 0.00 58.65 58.63 2wsb h GLN 53 Cb 0.28 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 2wsb h GLN 53 CO 0.00 1.15 -0.26 1.49 -1.50 0.00 0.00 178.83 179.72 2wsb h GLU 54 N 0.75 0.99 0.00 1.46 4.81 -0.89 -3.12 114.58 118.58 2wsb h GLU 54 Ca 0.06 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2wsb h GLU 54 Cb 1.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2wsb h GLU 54 CO 0.10 1.12 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.34 2wsb h LEU 55 N 0.84 0.00 0.00 1.64 3.38 -0.99 -3.48 115.31 116.70 2wsb h LEU 55 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wsb h LEU 55 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2wsb h LEU 55 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2wsb n GLY 56 N 1.17 3.38 0.22 0.83 0.00 -0.44 -2.26 105.19 108.09 2wsb n GLY 56 Ca 0.04 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.04 2wsb n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb h ALA 57 N -0.96 1.00 0.00 4.61 0.00 -1.93 -1.53 119.26 120.45 2wsb h ALA 57 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wsb h ALA 57 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wsb h ALA 57 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.18 2wsb h ALA 58 N 2.08 1.16 -2.11 0.00 0.00 -1.79 -3.43 119.26 115.16 2wsb h ALA 58 Ca 0.00 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 54.27 2wsb h ALA 58 Cb 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2wsb h ALA 58 CO 0.00 0.09 0.76 0.08 0.00 0.00 0.00 179.25 180.17 2wsb s VAL 59 N -4.06 4.70 -0.08 0.00 1.01 -0.58 -0.74 120.40 120.64 2wsb s VAL 59 Ca -0.02 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.03 2wsb s VAL 59 Cb 0.12 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 2wsb s VAL 59 CO 0.54 -0.16 0.50 0.00 0.00 0.00 0.00 175.10 175.98 2wsb n ALA 60 N 6.21 1.34 -3.57 5.51 0.00 0.91 -4.86 120.51 126.05 2wsb n ALA 60 Ca 0.11 -0.79 -0.16 0.00 0.00 0.00 0.00 53.44 52.60 2wsb n ALA 60 Cb 0.46 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2wsb n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsb s ALA 61 N -2.58 -1.79 0.04 0.00 0.00 -1.07 -5.02 121.76 111.35 2wsb s ALA 61 Ca -0.11 1.63 0.04 0.00 0.00 0.00 0.00 51.96 53.53 2wsb s ALA 61 Cb 0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2wsb s ALA 61 CO 0.80 -0.35 -0.06 -0.98 0.00 0.00 0.00 175.76 175.17 2wsb s ARG 62 N -0.52 2.46 -0.11 0.00 1.70 -1.26 -1.13 118.95 120.07 2wsb s ARG 62 Ca -0.06 -0.81 -0.04 0.00 -0.47 0.00 0.00 55.73 54.36 2wsb s ARG 62 Cb -0.02 -2.47 0.05 0.00 -0.57 0.00 0.00 34.95 31.94 2wsb s ARG 62 CO 0.05 0.57 0.08 0.42 -1.08 0.00 0.00 175.30 175.35 2wsb s ILE 63 N -1.10 -0.11 -0.39 4.99 1.01 0.28 -4.93 121.20 120.96 2wsb s ILE 63 Ca 0.19 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.65 2wsb s ILE 63 Cb -0.11 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 41.99 2wsb s ILE 63 CO 0.11 -0.08 1.15 -0.69 0.00 0.00 0.00 174.94 175.43 2wsb s VAL 64 N 2.16 4.29 -0.14 2.92 1.01 -1.26 -2.41 120.40 126.97 2wsb s VAL 64 Ca 0.03 1.41 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 2wsb s VAL 64 Cb -0.14 -4.45 0.06 0.00 0.00 0.00 0.00 36.38 31.84 2wsb s VAL 64 CO -0.06 -0.73 0.57 0.00 0.00 0.00 0.00 175.10 174.88 2wsb s ALA 65 N 4.21 -1.43 -0.34 5.51 0.00 -0.59 -4.95 121.76 124.18 2wsb s ALA 65 Ca 0.49 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.66 2wsb s ALA 65 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2wsb s ALA 65 CO 0.25 -0.30 0.31 0.34 0.00 0.00 0.00 175.76 176.35 2wsb s ASP 66 N -0.35 6.13 0.66 0.00 3.68 -1.26 -2.47 116.67 123.05 2wsb s ASP 66 Ca -0.05 -0.28 0.34 0.00 2.13 0.00 0.00 52.55 54.69 2wsb s ASP 66 Cb -0.03 -2.17 1.88 0.00 -1.45 0.00 0.00 42.92 41.14 2wsb s ASP 66 CO 0.04 -0.28 2.07 -0.37 0.13 0.00 0.00 175.17 176.76 2wsb h VAL 67 N 5.51 0.04 0.00 1.11 -1.51 -1.95 0.11 116.25 119.55 2wsb h VAL 67 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2wsb h VAL 67 Cb 1.15 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2wsb h VAL 67 CO 0.66 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.35 2wsb n THR 68 N -3.02 0.10 -3.02 7.19 -2.24 -1.26 -4.19 114.28 107.83 2wsb n THR 68 Ca -0.02 0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 2wsb n THR 68 Cb 0.29 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2wsb n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wsb s ASP 69 N -2.79 6.20 0.31 3.42 -1.08 0.39 -4.91 116.67 118.21 2wsb s ASP 69 Ca 0.20 -1.32 -0.00 0.00 -0.52 0.00 0.00 52.55 50.91 2wsb s ASP 69 Cb 0.18 -2.34 0.50 0.00 -1.46 0.00 0.00 42.92 39.80 2wsb s ASP 69 CO 0.47 -1.22 1.93 0.00 0.52 0.00 0.00 175.17 176.86 2wsb h ALA 70 N 9.29 1.38 -0.15 3.66 0.00 -1.86 -1.53 119.26 130.05 2wsb h ALA 70 Ca -0.28 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2wsb h ALA 70 Cb 1.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wsb h ALA 70 CO 1.13 0.50 -0.41 0.93 0.00 0.00 0.00 179.25 181.39 2wsb h GLU 71 N 0.89 0.35 -0.40 0.00 5.08 -1.96 -0.89 114.58 117.66 2wsb h GLU 71 Ca 0.23 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2wsb h GLU 71 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2wsb h GLU 71 CO -0.03 0.71 0.02 0.00 -1.00 0.00 0.00 179.01 178.70 2wsb h ALA 72 N 1.27 1.28 -0.20 3.43 0.00 -1.66 -0.26 119.26 123.12 2wsb h ALA 72 Ca 0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2wsb h ALA 72 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wsb h ALA 72 CO 0.07 0.49 -0.47 0.52 0.00 0.00 0.00 179.25 179.85 2wsb h MET 73 N 0.60 0.67 -0.74 0.00 2.86 -0.74 0.15 114.93 117.74 2wsb h MET 73 Ca 0.13 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2wsb h MET 73 Cb 0.36 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2wsb h MET 73 CO 0.01 1.08 0.47 1.15 1.06 0.00 0.00 176.91 180.68 2wsb h THR 74 N 0.37 1.20 -0.66 2.22 2.02 -0.97 -1.35 112.91 115.74 2wsb h THR 74 Ca -0.00 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 2wsb h THR 74 Cb 1.09 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2wsb h THR 74 CO 0.10 0.20 0.13 0.00 0.37 0.00 0.00 175.52 176.32 2wsb h ALA 75 N 1.26 0.97 -0.67 6.16 0.00 -0.95 -1.83 119.26 124.20 2wsb h ALA 75 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wsb h ALA 75 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2wsb h ALA 75 CO -0.06 0.65 0.34 0.00 0.00 0.00 0.00 179.25 180.19 2wsb h ALA 76 N 1.12 0.86 -0.24 0.00 0.00 -0.20 0.05 119.26 120.85 2wsb h ALA 76 Ca 0.21 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2wsb h ALA 76 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wsb h ALA 76 CO 0.01 0.40 -0.43 0.00 0.00 0.00 0.00 179.25 179.23 2wsb h ALA 77 N 1.16 0.80 -0.77 0.00 0.00 -0.99 0.91 119.26 120.38 2wsb h ALA 77 Ca 0.23 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2wsb h ALA 77 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2wsb h ALA 77 CO -0.03 0.66 0.51 0.00 0.00 0.00 0.00 179.25 180.38 2wsb h ALA 78 N 1.05 0.98 -0.21 0.00 0.00 -0.93 0.49 119.26 120.63 2wsb h ALA 78 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wsb h ALA 78 Cb 0.94 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wsb h ALA 78 CO 0.08 0.39 0.09 1.49 0.00 0.00 0.00 179.25 181.30 2wsb h GLU 79 N 1.04 0.31 -0.11 0.00 4.81 -0.72 -1.15 114.58 118.77 2wsb h GLU 79 Ca 0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2wsb h GLU 79 Cb -0.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2wsb h GLU 79 CO -0.06 0.36 0.07 0.00 -0.73 0.00 0.00 179.01 178.65 2wsb h ALA 80 N 0.93 0.13 -0.13 2.92 0.00 -0.54 -2.79 119.26 119.78 2wsb h ALA 80 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wsb h ALA 80 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wsb h ALA 80 CO -0.01 -0.36 -0.05 0.93 0.00 0.00 0.00 179.25 179.76 2wsb h GLU 81 N 0.12 0.19 0.00 0.00 4.39 -0.78 0.35 114.58 118.85 2wsb h GLU 81 Ca 0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2wsb h GLU 81 Cb 0.02 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2wsb h GLU 81 CO -0.01 0.26 -0.06 0.00 -1.16 0.00 0.00 179.01 178.04 2wsb h ALA 82 N 1.76 1.23 0.05 3.43 0.00 -0.93 -3.21 119.26 121.59 2wsb h ALA 82 Ca 0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2wsb h ALA 82 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wsb h ALA 82 CO 0.01 0.08 -1.72 0.28 0.00 0.00 0.00 179.25 177.90 2wsb n VAL 83 N -3.49 1.63 -3.56 0.00 0.31 -0.07 -5.05 118.33 108.10 2wsb n VAL 83 Ca -0.02 -0.33 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 2wsb n VAL 83 Cb 0.19 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.19 2wsb n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wsb s ALA 84 N -2.46 -1.89 0.16 3.52 0.00 -0.12 -5.12 121.76 115.84 2wsb s ALA 84 Ca -0.27 1.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 2wsb s ALA 84 Cb 0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 23.12 22.66 2wsb s ALA 84 CO 0.65 -0.38 1.71 -1.25 0.00 0.00 0.00 175.76 176.49 2wsb s PRO 85 N -1.46 4.16 -0.36 0.00 0.04 -1.26 -3.83 135.00 132.29 2wsb s PRO 85 Ca -0.02 2.51 -0.17 0.00 0.04 0.00 0.00 61.00 63.36 2wsb s PRO 85 Cb -0.00 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 2wsb s PRO 85 CO 0.01 -0.74 0.48 0.08 0.04 0.00 0.00 177.00 176.87 2wsb s VAL 86 N 1.80 5.05 -1.45 -0.36 1.01 -1.26 -4.15 120.40 121.03 2wsb s VAL 86 Ca 0.75 0.20 0.15 0.00 0.00 0.00 0.00 61.98 63.09 2wsb s VAL 86 Cb -0.46 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 31.98 2wsb s VAL 86 CO 0.33 -0.22 0.84 -1.54 0.00 0.00 0.00 175.10 174.51 2wsb n SER 87 N 5.67 1.65 -3.96 3.32 3.41 -0.39 -4.60 113.62 118.72 2wsb n SER 87 Ca -0.06 -1.32 -0.18 0.00 -0.26 0.00 0.00 58.87 57.05 2wsb n SER 87 Cb 0.49 0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 64.70 2wsb n SER 87 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wsb s ILE 88 N -1.75 0.53 -0.05 -1.33 1.01 -1.11 -1.42 121.20 117.08 2wsb s ILE 88 Ca 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2wsb s ILE 88 Cb 0.12 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.12 2wsb s ILE 88 CO 0.36 0.17 -0.14 -0.22 0.00 0.00 0.00 174.94 175.11 2wsb s LEU 89 N 0.17 1.77 -0.20 2.97 2.96 -0.34 -0.58 118.68 125.43 2wsb s LEU 89 Ca -0.02 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2wsb s LEU 89 Cb -0.06 -0.84 0.00 0.00 0.50 0.00 0.00 46.19 45.79 2wsb s LEU 89 CO -0.00 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.30 2wsb s VAL 90 N 0.37 2.77 -0.80 1.68 1.01 0.34 -0.70 120.40 125.08 2wsb s VAL 90 Ca -0.09 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 2wsb s VAL 90 Cb -0.13 -2.22 0.21 0.00 0.00 0.00 0.00 36.38 34.24 2wsb s VAL 90 CO 0.03 0.48 0.74 0.20 0.00 0.00 0.00 175.10 176.55 2wsb s ASN 91 N 1.33 6.70 -0.01 3.32 -0.87 -0.34 -1.08 114.94 123.99 2wsb s ASN 91 Ca 0.04 -2.61 0.19 0.00 -1.57 0.00 0.00 52.86 48.92 2wsb s ASN 91 Cb -0.14 -2.21 -0.25 0.00 -0.02 0.00 0.00 41.25 38.63 2wsb s ASN 91 CO -0.07 -0.60 0.61 -0.24 -2.57 0.00 0.00 177.10 174.23 2wsb n SER 92 N 4.09 0.74 -4.69 -1.22 2.88 -0.93 -1.90 113.62 112.59 2wsb n SER 92 Ca 0.11 -0.48 -0.44 0.00 -1.33 0.00 0.00 58.87 56.74 2wsb n SER 92 Cb 0.46 1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 65.32 2wsb n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsb n ALA 93 N -1.80 2.13 -3.59 -1.46 0.00 -1.08 -4.72 120.51 109.99 2wsb n ALA 93 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 2wsb n ALA 93 Cb 0.39 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 2wsb n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wsb s GLY 94 N 1.22 -0.25 0.10 0.00 0.00 -1.26 -4.71 107.32 102.41 2wsb s GLY 94 Ca 0.77 1.79 0.01 0.00 0.00 0.00 0.00 44.72 47.30 2wsb s GLY 94 CO 0.35 0.68 -0.06 -0.26 0.00 0.00 0.00 173.10 173.81 2wsb s ILE 95 N -2.08 0.64 -0.04 0.90 -4.36 -1.26 -5.05 121.20 109.95 2wsb s ILE 95 Ca 0.07 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 2wsb s ILE 95 Cb -0.01 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 42.02 2wsb s ILE 95 CO -0.05 -0.86 -0.06 0.00 0.24 0.00 0.00 174.94 174.22 2wsb s ALA 96 N -3.66 0.74 -0.07 2.27 0.00 -1.26 -4.92 121.76 114.86 2wsb s ALA 96 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2wsb s ALA 96 Cb 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2wsb s ALA 96 CO -0.05 0.03 -0.06 1.03 0.00 0.00 0.00 175.76 176.71 2wsb s ARG 97 N 0.79 1.07 0.16 0.00 1.81 -1.26 -5.13 118.95 116.39 2wsb s ARG 97 Ca -0.11 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 53.45 2wsb s ARG 97 Cb -0.14 -1.11 -0.07 0.00 -0.45 0.00 0.00 34.95 33.18 2wsb s ARG 97 CO 0.01 -0.14 1.14 -0.51 -0.68 0.00 0.00 175.30 175.11 2wsb s LEU 98 N 1.24 4.45 -0.22 2.53 1.43 -1.26 -4.69 118.68 122.17 2wsb s LEU 98 Ca -0.05 2.11 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 2wsb s LEU 98 Cb -0.14 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.55 2wsb s LEU 98 CO -0.02 -0.30 0.70 -1.38 0.23 0.00 0.00 176.35 175.58 2wsb s HIS 99 N 0.06 -0.75 0.18 0.29 -3.43 -0.44 -4.99 115.29 106.22 2wsb s HIS 99 Ca 0.52 1.72 -0.29 0.00 -0.80 0.00 0.00 55.06 56.21 2wsb s HIS 99 Cb -0.30 0.30 -0.08 0.00 -1.43 0.00 0.00 32.58 31.07 2wsb s HIS 99 CO 0.34 -0.43 0.92 -0.51 -2.00 0.00 0.00 174.74 173.06 2wsb s ASP 100 N 0.01 7.55 0.19 7.38 1.01 -1.26 -3.58 116.67 127.97 2wsb s ASP 100 Ca -0.03 1.84 -0.12 0.00 0.71 0.00 0.00 52.55 54.96 2wsb s ASP 100 Cb -0.04 -2.58 0.18 0.00 1.01 0.00 0.00 42.92 41.48 2wsb s ASP 100 CO 0.03 0.09 1.79 0.00 0.21 0.00 0.00 175.17 177.29 2wsb h ALA 101 N 4.68 0.74 -0.02 5.23 0.00 -1.99 -1.08 119.26 126.83 2wsb h ALA 101 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wsb h ALA 101 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wsb h ALA 101 CO 0.69 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 181.18 2wsb n LEU 102 N -4.85 0.23 -2.50 0.00 4.77 -1.26 -3.04 117.00 110.35 2wsb n LEU 102 Ca 0.06 -0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2wsb n LEU 102 Cb 0.15 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2wsb n LEU 102 CO 0.29 0.05 0.07 -0.62 -1.33 0.00 0.00 177.39 175.84 2wsb n GLU 103 N -0.68 2.50 -3.59 3.23 -0.58 -0.44 -5.07 120.64 116.01 2wsb n GLU 103 Ca 0.17 -3.80 -0.37 0.00 -0.42 0.00 0.00 57.16 52.74 2wsb n GLU 103 Cb 0.11 -1.87 -0.07 0.00 -0.57 0.00 0.00 31.44 29.04 2wsb n GLU 103 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2wsb s THR 104 N -4.16 5.29 -0.25 2.62 2.01 -1.03 -4.46 115.64 115.67 2wsb s THR 104 Ca 0.37 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 2wsb s THR 104 Cb 0.37 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 2wsb s THR 104 CO -0.01 0.46 1.44 -0.62 -0.69 0.00 0.00 174.62 175.20 2wsb s ASP 105 N -0.04 6.57 0.42 3.53 -1.08 -1.26 -4.93 116.67 119.89 2wsb s ASP 105 Ca 0.17 1.46 0.22 0.00 -0.52 0.00 0.00 52.55 53.88 2wsb s ASP 105 Cb -0.13 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 39.99 2wsb s ASP 105 CO 0.05 -1.12 1.76 0.44 0.52 0.00 0.00 175.17 176.83 2wsb h ASP 106 N 9.81 0.36 0.48 -0.34 3.32 -2.01 0.68 116.42 128.72 2wsb h ASP 106 Ca -0.30 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 2wsb h ASP 106 Cb 1.12 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2wsb h ASP 106 CO 1.01 0.05 -0.31 0.00 -1.72 0.00 0.00 179.24 178.27 2wsb h ALA 107 N 1.59 1.27 -0.13 3.45 0.00 -1.99 -1.61 119.26 121.84 2wsb h ALA 107 Ca 0.61 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2wsb h ALA 107 Cb 1.71 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 2wsb h ALA 107 CO -0.26 0.39 -0.22 1.15 0.00 0.00 0.00 179.25 180.30 2wsb h THR 108 N 0.00 1.37 -0.09 0.00 2.02 -0.04 -0.93 112.91 115.24 2wsb h THR 108 Ca -0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2wsb h THR 108 Cb 0.63 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2wsb h THR 108 CO 0.04 0.43 0.05 -0.25 0.37 0.00 0.00 175.52 176.16 2wsb h TRP 109 N -0.01 0.09 -0.78 3.16 2.91 -1.04 -1.97 115.95 118.32 2wsb h TRP 109 Ca 0.01 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 2wsb h TRP 109 Cb 0.80 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.38 2wsb h TRP 109 CO 0.10 0.06 0.37 0.00 -1.03 0.00 0.00 178.44 177.94 2wsb h ARG 110 N 0.11 1.13 -0.10 2.65 3.08 -1.27 -2.28 114.38 117.71 2wsb h ARG 110 Ca 0.03 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.92 2wsb h ARG 110 Cb -0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2wsb h ARG 110 CO -0.02 0.88 0.02 0.37 -1.07 0.00 0.00 179.97 180.16 2wsb h GLN 111 N 1.11 0.07 -0.36 0.04 4.15 -0.94 0.13 115.11 119.30 2wsb h GLN 111 Ca 0.27 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 2wsb h GLN 111 Cb 0.13 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2wsb h GLN 111 CO -0.03 0.04 0.14 0.28 -1.93 0.00 0.00 178.83 177.33 2wsb h VAL 112 N 0.07 1.19 -0.63 2.39 2.07 -1.23 -1.75 116.25 118.36 2wsb h VAL 112 Ca 0.04 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2wsb h VAL 112 Cb 0.03 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2wsb h VAL 112 CO -0.05 0.21 0.12 0.24 0.02 0.00 0.00 177.57 178.11 2wsb h MET 113 N 0.43 1.02 0.04 1.57 2.86 -1.23 -0.83 114.93 118.79 2wsb h MET 113 Ca 0.12 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2wsb h MET 113 Cb 0.19 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2wsb h MET 113 CO -0.01 0.92 -0.02 0.00 1.06 0.00 0.00 176.91 178.87 2wsb h ALA 114 N 1.16 -0.05 0.13 6.32 0.00 -0.35 -1.18 119.26 125.29 2wsb h ALA 114 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wsb h ALA 114 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wsb h ALA 114 CO 0.01 -0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.04 2wsb h VAL 115 N -0.24 1.02 0.00 0.00 2.07 -1.31 0.13 116.25 117.92 2wsb h VAL 115 Ca -0.01 -0.63 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 2wsb h VAL 115 Cb 0.22 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2wsb h VAL 115 CO 0.01 0.15 -0.70 0.78 0.02 0.00 0.00 177.57 177.83 2wsb h ASN 116 N -0.47 0.00 0.00 0.57 4.21 -1.13 -3.24 115.58 115.52 2wsb h ASN 116 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2wsb h ASN 116 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 2wsb h ASN 116 CO 0.03 0.70 -0.23 0.52 -1.29 0.00 0.00 177.43 177.16 2wsb n VAL 117 N -3.63 1.17 -0.21 2.81 0.31 -0.51 -4.45 118.33 113.83 2wsb n VAL 117 Ca -0.01 0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.57 2wsb n VAL 117 Cb 0.70 -1.72 0.03 0.00 -0.91 0.00 0.00 33.84 31.95 2wsb n VAL 117 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wsb h ASP 118 N -0.23 0.75 -0.57 4.52 3.32 -1.25 -0.74 116.42 122.21 2wsb h ASP 118 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2wsb h ASP 118 Cb 0.23 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2wsb h ASP 118 CO 0.00 0.65 0.27 1.23 -1.72 0.00 0.00 179.24 179.67 2wsb h GLY 119 N 0.79 0.92 1.22 2.75 0.00 -0.77 0.22 103.07 108.20 2wsb h GLY 119 Ca 0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2wsb h GLY 119 CO -0.03 0.42 0.20 1.98 0.00 0.00 0.00 176.54 179.12 2wsb h MET 120 N 0.86 0.98 -0.21 4.80 1.85 -1.48 -0.80 114.93 120.93 2wsb h MET 120 Ca 0.21 -0.19 -0.09 0.00 -0.61 0.00 0.00 59.70 59.02 2wsb h MET 120 Cb 0.12 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 2wsb h MET 120 CO -0.02 0.84 -0.22 0.35 -0.40 0.00 0.00 176.91 177.46 2wsb h PHE 121 N 0.95 0.61 -0.61 1.39 3.57 -0.08 0.48 116.94 123.26 2wsb h PHE 121 Ca 0.21 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2wsb h PHE 121 Cb 0.27 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2wsb h PHE 121 CO 0.02 0.87 0.35 -1.49 -2.23 0.00 0.00 178.31 175.83 2wsb h TRP 122 N 0.19 0.66 -0.31 0.41 -0.00 -0.41 0.24 115.95 116.72 2wsb h TRP 122 Ca 0.03 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.86 2wsb h TRP 122 Cb 0.77 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.71 2wsb h TRP 122 CO 0.08 0.35 -0.15 0.00 -0.00 0.00 0.00 178.44 178.72 2wsb h ALA 123 N 1.29 0.44 -0.73 1.49 0.00 -1.13 -1.62 119.26 119.00 2wsb h ALA 123 Ca 0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2wsb h ALA 123 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2wsb h ALA 123 CO -0.14 0.34 0.36 0.77 0.00 0.00 0.00 179.25 180.58 2wsb h SER 124 N 0.42 0.95 -0.49 0.00 0.02 -0.46 -0.51 113.55 113.48 2wsb h SER 124 Ca 0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2wsb h SER 124 Cb 0.67 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2wsb h SER 124 CO 0.04 0.82 0.29 -0.09 -1.14 0.00 0.00 176.83 176.75 2wsb h ARG 125 N 1.02 0.68 0.15 3.45 2.43 -0.98 0.36 114.38 121.50 2wsb h ARG 125 Ca 0.25 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2wsb h ARG 125 Cb 0.11 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2wsb h ARG 125 CO -0.03 0.51 -0.07 0.00 -1.51 0.00 0.00 179.97 178.86 2wsb h ALA 126 N 1.13 -0.20 0.00 2.80 0.00 -1.01 -2.33 119.26 119.64 2wsb h ALA 126 Ca 0.18 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2wsb h ALA 126 Cb 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wsb h ALA 126 CO -0.03 -0.50 -0.99 0.74 0.00 0.00 0.00 179.25 178.47 2wsb h PHE 127 N -0.44 0.00 0.00 0.00 0.04 -1.17 -3.25 116.94 112.12 2wsb h PHE 127 Ca -0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2wsb h PHE 127 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2wsb h PHE 127 CO 0.00 0.76 -0.21 0.78 -0.60 0.00 0.00 178.31 179.05 2wsb h GLY 128 N 3.35 0.00 0.39 -1.45 0.00 -0.23 -3.27 103.07 101.85 2wsb h GLY 128 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.32 2wsb h GLY 128 CO 0.09 0.00 -0.10 -0.09 0.00 0.00 0.00 176.54 176.44 2wsb h ARG 129 N 0.00 -0.05 0.00 4.80 2.43 -1.45 0.12 114.38 120.23 2wsb h ARG 129 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2wsb h ARG 129 Cb 0.51 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2wsb h ARG 129 CO 0.03 -0.03 -0.52 0.00 -1.51 0.00 0.00 179.97 177.94 2wsb h ALA 130 N 1.20 0.90 0.11 2.80 0.00 -1.78 -1.73 119.26 120.76 2wsb h ALA 130 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2wsb h ALA 130 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wsb h ALA 130 CO -0.31 0.65 -0.05 0.52 0.00 0.00 0.00 179.25 180.06 2wsb h MET 131 N 0.00 -0.14 -0.69 0.00 2.86 -1.43 0.97 114.93 116.50 2wsb h MET 131 Ca -0.01 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2wsb h MET 131 Cb 1.09 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 2wsb h MET 131 CO 0.07 0.01 0.39 0.28 1.06 0.00 0.00 176.91 178.72 2wsb h VAL 132 N -0.27 1.21 -0.80 -2.22 2.07 -0.89 0.95 116.25 116.31 2wsb h VAL 132 Ca -0.02 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2wsb h VAL 132 Cb 0.22 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2wsb h VAL 132 CO 0.03 0.23 0.51 0.00 0.02 0.00 0.00 177.57 178.36 2wsb h ALA 133 N 1.20 1.40 0.00 1.67 0.00 -1.01 -1.35 119.26 121.17 2wsb h ALA 133 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wsb h ALA 133 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2wsb h ALA 133 CO -0.04 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.29 2wsb n ARG 134 N -4.40 0.19 -1.56 0.00 1.74 0.31 -4.94 116.66 107.99 2wsb n ARG 134 Ca 0.09 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.31 2wsb n ARG 134 Cb 0.04 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 2wsb n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wsb n GLY 135 N 1.21 0.47 3.62 -0.13 0.00 0.24 -5.02 105.19 105.59 2wsb n GLY 135 Ca 0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2wsb n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 136 N -2.19 -1.82 0.00 4.61 0.00 -0.64 -4.24 121.76 117.48 2wsb s ALA 136 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2wsb s ALA 136 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2wsb s ALA 136 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2wsb n GLY 137 N 2.45 1.24 3.02 0.00 0.00 -0.88 -4.54 105.19 106.48 2wsb n GLY 137 Ca -0.14 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2wsb n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 138 N -2.00 -0.44 -0.06 4.61 0.00 -0.50 -1.50 121.76 121.87 2wsb s ALA 138 Ca 0.00 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.80 2wsb s ALA 138 Cb 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2wsb s ALA 138 CO 0.00 -0.16 -0.23 0.42 0.00 0.00 0.00 175.76 175.79 2wsb s ILE 139 N 0.94 1.93 -0.17 0.00 1.01 0.24 -1.20 121.20 123.95 2wsb s ILE 139 Ca -0.07 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.60 2wsb s ILE 139 Cb -0.08 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2wsb s ILE 139 CO -0.05 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.56 2wsb s VAL 140 N -0.09 1.83 -0.13 2.92 1.01 0.13 -1.46 120.40 124.61 2wsb s VAL 140 Ca -0.05 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2wsb s VAL 140 Cb -0.14 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2wsb s VAL 140 CO 0.04 0.48 0.14 0.20 0.00 0.00 0.00 175.10 175.96 2wsb s ASN 141 N 1.38 6.38 -0.79 3.32 0.01 -0.09 -1.20 114.94 123.95 2wsb s ASN 141 Ca 0.04 0.46 -0.21 0.00 -0.71 0.00 0.00 52.86 52.44 2wsb s ASN 141 Cb -0.13 -2.07 0.09 0.00 0.41 0.00 0.00 41.25 39.55 2wsb s ASN 141 CO -0.12 0.39 1.06 -0.76 -1.51 0.00 0.00 177.10 176.16 2wsb s LEU 142 N -0.91 4.58 0.00 0.60 2.01 -0.80 -1.25 118.68 122.91 2wsb s LEU 142 Ca 0.15 -1.43 0.00 0.00 0.01 0.00 0.00 54.13 52.86 2wsb s LEU 142 Cb -0.12 -2.42 0.00 0.00 0.01 0.00 0.00 46.19 43.66 2wsb s LEU 142 CO 0.04 -1.30 0.00 0.61 1.01 0.00 0.00 176.35 176.70 2wsb n GLY 143 N 5.50 0.93 3.54 -3.19 0.00 0.75 -4.97 105.19 107.75 2wsb n GLY 143 Ca 0.09 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 2wsb n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wsb s SER 144 N -1.00 -0.32 0.62 1.61 0.15 -1.21 -4.41 113.70 109.15 2wsb s SER 144 Ca 0.00 0.07 0.33 0.00 0.70 0.00 0.00 55.95 57.05 2wsb s SER 144 Cb 0.00 0.32 1.87 0.00 -1.71 0.00 0.00 66.02 66.50 2wsb s SER 144 CO 0.00 -0.49 2.15 0.00 1.20 0.00 0.00 173.24 176.10 2wsb h MET 145 N 2.09 0.00 0.00 5.44 -0.00 -1.18 0.03 114.93 121.31 2wsb h MET 145 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 2wsb h MET 145 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 2wsb h MET 145 CO 0.29 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.63 2wsb n SER 146 N -3.44 0.00 -0.14 -0.10 7.64 -1.26 -0.99 113.62 115.32 2wsb n SER 146 Ca -0.01 -0.22 0.13 0.00 1.01 0.00 0.00 58.87 59.78 2wsb n SER 146 Cb 0.25 -0.15 0.40 0.00 -1.01 0.00 0.00 64.21 63.71 2wsb n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsb n GLY 147 N 0.06 -0.89 0.45 0.23 0.00 -0.00 -4.41 105.19 100.62 2wsb n GLY 147 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 2wsb n GLY 147 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wsb n THR 148 N -0.98 0.24 -4.68 2.61 -1.04 -0.24 -4.26 114.28 105.94 2wsb n THR 148 Ca 0.11 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.73 2wsb n THR 148 Cb 0.33 -1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.66 2wsb n THR 148 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2wsb n ILE 149 N -2.92 0.00 -4.99 12.58 -6.64 -0.17 -5.15 119.36 112.08 2wsb n ILE 149 Ca -0.08 -2.43 -0.32 0.00 -1.77 0.00 0.00 62.75 58.14 2wsb n ILE 149 Cb 0.57 0.62 -0.15 0.00 -1.44 0.00 0.00 39.64 39.25 2wsb n ILE 149 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 2wsb s VAL 150 N -2.95 2.67 1.00 7.28 1.01 -1.26 -4.19 120.40 123.96 2wsb s VAL 150 Ca 0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 2wsb s VAL 150 Cb 0.00 -2.06 0.19 0.00 0.00 0.00 0.00 36.38 34.51 2wsb s VAL 150 CO 0.05 0.56 1.08 0.20 0.00 0.00 0.00 175.10 176.99 2wsb s ASN 151 N -0.05 2.49 -0.08 3.32 0.01 -1.26 -5.07 114.94 114.30 2wsb s ASN 151 Ca -0.05 1.49 -0.22 0.00 -0.71 0.00 0.00 52.86 53.38 2wsb s ASN 151 Cb -0.14 -2.17 0.05 0.00 0.41 0.00 0.00 41.25 39.40 2wsb s ASN 151 CO 0.04 -3.26 0.50 0.00 -1.51 0.00 0.00 177.10 172.88 2wsb s ARG 152 N -4.78 0.80 0.06 -0.60 1.70 -1.26 -4.61 118.95 110.26 2wsb s ARG 152 Ca 0.66 0.22 0.23 0.00 -0.47 0.00 0.00 55.73 56.37 2wsb s ARG 152 Cb -0.21 0.37 0.18 0.00 -0.57 0.00 0.00 34.95 34.73 2wsb s ARG 152 CO 0.59 -0.21 1.15 -0.35 -1.08 0.00 0.00 175.30 175.41 2wsb n PRO 153 N 1.54 0.23 -2.12 3.89 -0.04 -1.26 -4.59 135.00 132.65 2wsb n PRO 153 Ca -0.18 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 2wsb n PRO 153 Cb 0.56 -1.60 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2wsb n PRO 153 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2wsb s GLN 154 N -3.15 3.34 -0.10 0.54 0.00 -1.26 -5.03 119.66 114.00 2wsb s GLN 154 Ca 0.06 1.81 -0.03 0.00 -0.00 0.00 0.00 55.36 57.19 2wsb s GLN 154 Cb 0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 33.01 30.98 2wsb s GLN 154 CO 0.77 -0.91 0.04 -0.06 0.00 0.00 0.00 175.29 175.13 2wsb s PHE 155 N -1.58 3.29 -0.42 9.60 2.99 -1.26 -4.78 117.98 125.82 2wsb s PHE 155 Ca 0.71 0.29 0.04 0.00 0.00 0.00 0.00 56.93 57.97 2wsb s PHE 155 Cb -0.29 -1.84 0.29 0.00 0.00 0.00 0.00 43.02 41.17 2wsb s PHE 155 CO 0.34 0.54 1.13 0.00 -0.00 0.00 0.00 175.22 177.23 2wsb n ALA 156 N 2.12 -1.99 -0.17 5.36 0.00 -1.23 -1.32 120.51 123.27 2wsb n ALA 156 Ca -0.19 -1.00 0.10 0.00 0.00 0.00 0.00 53.44 52.34 2wsb n ALA 156 Cb 0.54 -2.01 0.41 0.00 0.00 0.00 0.00 19.45 18.39 2wsb n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wsb h SER 157 N 3.16 0.55 -0.22 0.00 4.64 -1.89 -0.42 113.55 119.38 2wsb h SER 157 Ca -0.19 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2wsb h SER 157 Cb 1.12 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2wsb h SER 157 CO 0.10 0.33 0.01 0.77 -0.87 0.00 0.00 176.83 177.16 2wsb h SER 158 N 0.61 0.46 -0.20 4.97 4.64 -1.92 -0.77 113.55 121.34 2wsb h SER 158 Ca 0.33 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 2wsb h SER 158 Cb 0.48 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2wsb h SER 158 CO -0.12 0.53 0.00 0.22 -0.87 0.00 0.00 176.83 176.59 2wsb h TYR 159 N 0.48 0.39 -0.11 4.77 3.20 -1.40 0.62 116.97 124.92 2wsb h TYR 159 Ca 0.10 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2wsb h TYR 159 Cb 0.30 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2wsb h TYR 159 CO 0.01 0.55 -0.04 0.52 -1.64 0.00 0.00 178.16 177.55 2wsb h MET 160 N 0.12 -0.03 -0.84 1.82 2.86 -1.27 -0.69 114.93 116.91 2wsb h MET 160 Ca 0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2wsb h MET 160 Cb 0.39 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 2wsb h MET 160 CO 0.01 -0.02 0.39 0.00 1.06 0.00 0.00 176.91 178.35 2wsb h ALA 161 N 1.07 1.08 -0.67 6.32 0.00 -1.10 -0.53 119.26 125.44 2wsb h ALA 161 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wsb h ALA 161 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2wsb h ALA 161 CO -0.13 0.66 0.32 0.66 0.00 0.00 0.00 179.25 180.76 2wsb h SER 162 N 1.20 0.86 0.65 0.00 4.64 -0.38 -1.48 113.55 119.03 2wsb h SER 162 Ca 0.29 -0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.30 2wsb h SER 162 Cb 0.14 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2wsb h SER 162 CO -0.03 0.73 -0.98 0.11 -0.87 0.00 0.00 176.83 175.79 2wsb h LYS 163 N 0.95 0.19 -0.64 4.77 1.79 -0.59 0.34 116.57 123.37 2wsb h LYS 163 Ca 0.23 -0.24 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 2wsb h LYS 163 Cb 0.10 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 2wsb h LYS 163 CO -0.03 1.02 0.33 0.78 -1.08 0.00 0.00 179.45 180.47 2wsb h GLY 164 N 1.95 0.93 1.41 3.86 0.00 -0.81 -1.31 103.07 109.10 2wsb h GLY 164 Ca -0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 2wsb h GLY 164 CO 0.15 0.11 -0.26 0.00 0.00 0.00 0.00 176.54 176.54 2wsb h ALA 165 N 1.36 0.92 -0.37 3.60 0.00 -0.84 -2.30 119.26 121.62 2wsb h ALA 165 Ca 0.30 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wsb h ALA 165 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wsb h ALA 165 CO -0.21 0.62 0.16 0.28 0.00 0.00 0.00 179.25 180.10 2wsb h VAL 166 N 0.59 0.93 -0.80 0.00 2.07 -0.50 0.19 116.25 118.73 2wsb h VAL 166 Ca 0.08 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2wsb h VAL 166 Cb 0.75 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2wsb h VAL 166 CO 0.06 0.06 0.34 0.45 0.02 0.00 0.00 177.57 178.50 2wsb h HIS 167 N 0.33 1.19 0.00 1.57 3.86 -1.11 -0.16 115.15 120.82 2wsb h HIS 167 Ca 0.17 -0.08 -0.17 0.00 -1.16 0.00 0.00 60.37 59.13 2wsb h HIS 167 Cb 0.11 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 2wsb h HIS 167 CO -0.12 0.88 -0.80 1.96 0.86 0.00 0.00 177.93 180.71 2wsb h GLN 168 N 1.15 0.00 -0.39 2.45 1.08 -1.04 -2.35 115.11 116.01 2wsb h GLN 168 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2wsb h GLN 168 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2wsb h GLN 168 CO -0.03 0.80 0.19 1.25 -0.95 0.00 0.00 178.83 180.09 2wsb h LEU 169 N 0.00 0.51 -0.30 1.46 5.85 -0.39 0.82 115.31 123.26 2wsb h LEU 169 Ca -0.01 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2wsb h LEU 169 Cb 1.57 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 2wsb h LEU 169 CO 0.10 0.50 -0.18 0.74 -0.34 0.00 0.00 178.44 179.26 2wsb h THR 170 N 0.49 0.48 -0.61 1.05 2.02 -0.92 -1.18 112.91 114.25 2wsb h THR 170 Ca 0.13 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 2wsb h THR 170 Cb 0.12 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2wsb h THR 170 CO -0.02 0.00 0.09 0.03 0.37 0.00 0.00 175.52 175.99 2wsb h ARG 171 N -0.15 1.02 -0.56 6.66 3.08 -1.11 -0.16 114.38 123.16 2wsb h ARG 171 Ca 0.16 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2wsb h ARG 171 Cb 0.39 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2wsb h ARG 171 CO -0.39 0.96 0.34 0.00 -1.07 0.00 0.00 179.97 179.81 2wsb h ALA 172 N 1.02 0.71 -0.07 0.04 0.00 -0.53 -0.73 119.26 119.69 2wsb h ALA 172 Ca 0.18 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2wsb h ALA 172 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wsb h ALA 172 CO 0.01 0.19 -0.71 -0.07 0.00 0.00 0.00 179.25 178.67 2wsb h LEU 173 N 0.75 0.43 -0.54 0.00 3.38 -1.11 -1.68 115.31 116.53 2wsb h LEU 173 Ca 0.20 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2wsb h LEU 173 Cb -0.02 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2wsb h LEU 173 CO -0.04 1.00 0.23 0.00 0.09 0.00 0.00 178.44 179.72 2wsb h ALA 174 N 0.99 0.69 -0.40 1.53 0.00 -0.72 -0.10 119.26 121.26 2wsb h ALA 174 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2wsb h ALA 174 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2wsb h ALA 174 CO 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.27 2wsb h ALA 175 N 1.34 0.53 -0.18 0.00 0.00 -0.90 -1.59 119.26 118.45 2wsb h ALA 175 Ca 0.26 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2wsb h ALA 175 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wsb h ALA 175 CO -0.23 0.26 -0.44 1.49 0.00 0.00 0.00 179.25 180.33 2wsb h GLU 176 N 0.51 0.44 -0.30 0.00 4.81 -1.03 -3.21 114.58 115.79 2wsb h GLU 176 Ca 0.12 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2wsb h GLU 176 Cb 0.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2wsb h GLU 176 CO 0.01 0.80 0.00 0.91 -0.73 0.00 0.00 179.01 180.00 2wsb n TRP 177 N -4.00 0.39 -0.29 0.92 8.01 -0.07 -4.58 117.44 117.82 2wsb n TRP 177 Ca -0.02 -0.26 -0.03 0.00 -1.31 0.00 0.00 57.50 55.88 2wsb n TRP 177 Cb 0.52 -0.01 0.09 0.00 -2.01 0.00 0.00 31.31 29.90 2wsb n TRP 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2wsb h ALA 178 N 3.37 1.02 0.00 6.99 0.00 -1.29 0.23 119.26 129.59 2wsb h ALA 178 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wsb h ALA 178 Cb 0.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wsb h ALA 178 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2wsb n GLY 179 N -1.32 -1.21 0.70 0.00 0.00 -1.26 -3.00 105.19 99.09 2wsb n GLY 179 Ca 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2wsb n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsb n ARG 180 N -1.26 2.13 -0.77 1.61 1.74 0.04 -5.01 116.66 115.15 2wsb n ARG 180 Ca 0.15 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 2wsb n ARG 180 Cb 0.22 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2wsb n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wsb n GLY 181 N 0.75 0.58 3.21 -0.13 0.00 -1.03 -3.71 105.19 104.87 2wsb n GLY 181 Ca 0.12 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2wsb n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsb s VAL 182 N -2.00 2.93 0.27 1.61 1.01 -1.10 -2.07 120.40 121.05 2wsb s VAL 182 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 2wsb s VAL 182 Cb 0.00 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 2wsb s VAL 182 CO 0.00 0.22 0.81 -0.13 0.00 0.00 0.00 175.10 176.00 2wsb s ARG 183 N 1.34 4.35 -0.06 2.72 0.52 -0.56 -4.21 118.95 123.06 2wsb s ARG 183 Ca 0.01 1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 56.21 2wsb s ARG 183 Cb -0.16 -2.81 0.03 0.00 0.52 0.00 0.00 34.95 32.53 2wsb s ARG 183 CO -0.04 0.33 0.06 0.08 0.02 0.00 0.00 175.30 175.75 2wsb s VAL 184 N -1.60 -0.08 0.12 3.52 1.01 -1.26 -0.59 120.40 121.53 2wsb s VAL 184 Ca 0.47 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.80 2wsb s VAL 184 Cb -0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2wsb s VAL 184 CO 0.21 0.13 -0.02 0.20 0.00 0.00 0.00 175.10 175.63 2wsb s ASN 185 N 2.15 0.99 0.06 3.32 0.01 -0.54 -0.01 114.94 120.92 2wsb s ASN 185 Ca 0.05 -1.09 0.07 0.00 -0.71 0.00 0.00 52.86 51.17 2wsb s ASN 185 Cb -0.12 0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 2wsb s ASN 185 CO -0.04 -0.55 -0.19 0.00 -1.51 0.00 0.00 177.10 174.82 2wsb s ALA 186 N -3.72 1.59 0.18 0.60 0.00 -0.15 -0.91 121.76 119.35 2wsb s ALA 186 Ca 0.17 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2wsb s ALA 186 Cb 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 2wsb s ALA 186 CO -0.01 0.33 0.55 -0.51 0.00 0.00 0.00 175.76 176.12 2wsb s LEU 187 N -1.37 4.27 -0.60 0.00 1.43 -0.38 -0.87 118.68 121.18 2wsb s LEU 187 Ca 0.05 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 2wsb s LEU 187 Cb -0.09 -3.42 0.16 0.00 0.03 0.00 0.00 46.19 42.87 2wsb s LEU 187 CO 0.02 0.04 0.41 0.00 0.23 0.00 0.00 176.35 177.05 2wsb s ALA 188 N -1.60 3.06 0.56 4.21 0.00 0.14 -0.18 121.76 127.96 2wsb s ALA 188 Ca 0.41 -3.35 -0.17 0.00 0.00 0.00 0.00 51.96 48.85 2wsb s ALA 188 Cb -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 2wsb s ALA 188 CO 0.20 -2.06 1.05 -2.14 0.00 0.00 0.00 175.76 172.80 2wsb s PRO 189 N -0.83 3.50 0.00 0.00 0.02 -1.26 -1.82 135.00 134.62 2wsb s PRO 189 Ca 0.25 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2wsb s PRO 189 Cb -0.07 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2wsb s PRO 189 CO -0.14 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 2wsb n GLY 190 N -0.83 -0.40 3.75 0.52 0.00 -0.03 -1.06 105.19 107.13 2wsb n GLY 190 Ca 0.09 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2wsb n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wsb s TYR 191 N 0.00 3.11 0.01 1.61 2.02 -1.26 -4.90 117.35 117.94 2wsb s TYR 191 Ca 0.00 1.22 0.06 0.00 -0.37 0.00 0.00 57.07 57.98 2wsb s TYR 191 Cb 0.00 -3.70 -0.02 0.00 -0.40 0.00 0.00 41.96 37.84 2wsb s TYR 191 CO 0.00 -2.14 -0.18 0.08 -1.57 0.00 0.00 175.55 171.73 2wsb s VAL 192 N -0.36 1.46 -1.02 0.71 1.01 -1.26 -0.55 120.40 120.39 2wsb s VAL 192 Ca 0.55 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 2wsb s VAL 192 Cb -0.39 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 34.80 2wsb s VAL 192 CO 0.45 0.31 1.42 0.00 0.00 0.00 0.00 175.10 177.28 2wsb s ALA 193 N -0.56 2.82 0.41 5.51 0.00 -0.06 -4.68 121.76 125.19 2wsb s ALA 193 Ca 0.07 -2.35 0.04 0.00 0.00 0.00 0.00 51.96 49.72 2wsb s ALA 193 Cb -0.08 -4.47 -0.02 0.00 0.00 0.00 0.00 23.12 18.55 2wsb s ALA 193 CO 0.00 -3.53 0.15 0.95 0.00 0.00 0.00 175.76 173.34 2wsb s THR 194 N 4.65 0.48 0.51 0.00 -4.23 -1.26 -4.56 115.64 111.23 2wsb s THR 194 Ca 0.45 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.17 2wsb s THR 194 Cb -0.00 -2.33 0.28 0.00 1.34 0.00 0.00 72.50 71.78 2wsb s THR 194 CO -0.09 0.00 2.13 -0.08 -0.54 0.00 0.00 174.62 176.04 2wsb h GLU 195 N 1.80 0.00 -0.94 3.99 4.57 -1.98 -2.14 114.58 119.88 2wsb h GLU 195 Ca -0.33 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.96 2wsb h GLU 195 Cb 1.27 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.79 2wsb h GLU 195 CO 0.53 0.07 0.60 1.98 -1.18 0.00 0.00 179.01 181.01 2wsb h MET 196 N 0.00 0.87 -0.01 1.92 4.05 -1.96 -3.13 114.93 116.67 2wsb h MET 196 Ca -0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2wsb h MET 196 Cb 0.13 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2wsb h MET 196 CO 0.01 0.57 -0.34 0.25 0.23 0.00 0.00 176.91 177.63 2wsb n THR 197 N -4.57 0.00 -0.09 -0.77 -2.24 -0.86 -4.78 114.28 100.97 2wsb n THR 197 Ca 0.17 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 2wsb n THR 197 Cb 0.36 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 2wsb n THR 197 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wsb h LEU 198 N 1.79 0.36 -1.07 3.22 5.85 -1.35 0.12 115.31 124.22 2wsb h LEU 198 Ca 0.00 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2wsb h LEU 198 Cb 0.55 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2wsb h LEU 198 CO 0.00 0.29 0.63 0.11 -0.34 0.00 0.00 178.44 179.13 2wsb h LYS 199 N 0.40 1.22 -0.16 1.25 1.79 -1.86 -1.04 116.57 118.18 2wsb h LYS 199 Ca 0.11 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.32 2wsb h LYS 199 Cb -0.01 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 30.36 2wsb h LYS 199 CO -0.02 0.81 -0.65 0.52 -1.08 0.00 0.00 179.45 179.03 2wsb h MET 200 N 1.26 0.60 0.00 3.15 2.86 -1.75 -2.74 114.93 118.31 2wsb h MET 200 Ca 0.36 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2wsb h MET 200 Cb -0.10 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2wsb h MET 200 CO -0.09 1.05 0.00 0.00 1.06 0.00 0.00 176.91 178.93 2wsb h ARG 201 N 0.43 0.00 -0.05 1.72 3.08 -0.11 -2.01 114.38 117.44 2wsb h ARG 201 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wsb h ARG 201 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2wsb h ARG 201 CO 0.12 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.41 2wsb n GLU 202 N -3.02 1.36 -3.70 0.04 1.02 -0.46 -4.68 120.64 111.21 2wsb n GLU 202 Ca -0.02 -0.53 -0.38 0.00 -0.02 0.00 0.00 57.16 56.21 2wsb n GLU 202 Cb 0.15 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 2wsb n GLU 202 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wsb s ARG 203 N -1.94 2.36 0.58 3.49 0.52 -0.76 -4.96 118.95 118.24 2wsb s ARG 203 Ca 0.35 -1.59 0.28 0.00 -0.52 0.00 0.00 55.73 54.25 2wsb s ARG 203 Cb 0.18 -3.65 1.64 0.00 0.52 0.00 0.00 34.95 33.64 2wsb s ARG 203 CO 0.29 -0.98 2.13 -1.35 0.02 0.00 0.00 175.30 175.41 2wsb h PRO 204 N 8.23 0.00 0.00 3.54 0.11 -1.84 -0.09 132.00 141.95 2wsb h PRO 204 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wsb h PRO 204 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wsb h PRO 204 CO 0.72 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.56 2wsb h GLU 205 N 0.00 0.00 0.00 1.05 9.09 -1.93 -1.80 114.58 120.99 2wsb h GLU 205 Ca 0.07 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.12 2wsb h GLU 205 Cb 0.37 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.41 2wsb h GLU 205 CO -0.00 0.00 -2.27 1.28 0.05 0.00 0.00 179.01 178.07 2wsb n LEU 206 N -2.54 2.33 0.11 3.06 4.32 -0.56 -4.70 117.00 119.01 2wsb n LEU 206 Ca 0.01 0.08 -0.03 0.00 -0.02 0.00 0.00 56.01 56.05 2wsb n LEU 206 Cb 0.24 -0.73 0.13 0.00 -1.62 0.00 0.00 43.42 41.44 2wsb n LEU 206 CO 0.22 0.68 0.46 0.15 -1.22 0.00 0.00 177.39 177.68 2wsb h PHE 207 N -0.41 0.13 -0.73 -1.77 3.57 -0.90 -1.28 116.94 115.55 2wsb h PHE 207 Ca -0.54 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 60.89 2wsb h PHE 207 Cb 1.64 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 2wsb h PHE 207 CO -0.02 0.71 0.40 0.93 -2.23 0.00 0.00 178.31 178.10 2wsb h GLU 208 N 0.07 1.02 -0.42 1.11 5.08 -1.57 -1.63 114.58 118.24 2wsb h GLU 208 Ca -0.01 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2wsb h GLU 208 Cb 1.15 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2wsb h GLU 208 CO 0.09 0.76 -0.11 1.15 -1.00 0.00 0.00 179.01 179.90 2wsb h THR 209 N 1.01 1.27 -0.46 1.13 2.02 -1.63 -1.11 112.91 115.14 2wsb h THR 209 Ca 0.26 -1.21 0.09 0.00 0.77 0.00 0.00 66.41 66.31 2wsb h THR 209 Cb 0.04 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 2wsb h THR 209 CO -0.04 0.41 -0.07 -0.50 0.37 0.00 0.00 175.52 175.69 2wsb h TRP 210 N 0.64 -0.15 -0.12 3.16 4.06 -0.82 -0.89 115.95 121.82 2wsb h TRP 210 Ca 0.11 0.04 -0.17 0.00 2.06 0.00 0.00 58.89 60.92 2wsb h TRP 210 Cb 0.64 0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 2wsb h TRP 210 CO 0.05 -0.16 -0.64 -0.07 -3.56 0.00 0.00 178.44 174.07 2wsb h LEU 211 N 0.04 0.52 -1.34 -4.49 3.38 -1.20 -2.94 115.31 109.28 2wsb h LEU 211 Ca 0.22 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2wsb h LEU 211 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2wsb h LEU 211 CO -0.43 1.02 -0.33 -0.78 0.09 0.00 0.00 178.44 178.01 2wsb h ASP 212 N 0.33 0.00 -0.44 -0.43 3.58 -0.83 -2.06 116.42 116.58 2wsb h ASP 212 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2wsb h ASP 212 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2wsb h ASP 212 CO 0.11 0.33 0.00 0.23 -2.88 0.00 0.00 179.24 177.03 2wsb n MET 213 N -4.01 2.30 -3.80 0.28 2.81 -0.37 -4.76 117.12 109.57 2wsb n MET 213 Ca -0.02 -1.98 -0.36 0.00 -1.81 0.00 0.00 57.70 53.53 2wsb n MET 213 Cb 0.38 -1.47 -0.13 0.00 -0.71 0.00 0.00 33.22 31.30 2wsb n MET 213 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wsb s THR 214 N -1.43 4.01 0.29 2.03 2.01 -0.77 -4.61 115.64 117.16 2wsb s THR 214 Ca 0.38 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2wsb s THR 214 Cb 0.21 -2.89 0.29 0.00 0.01 0.00 0.00 72.50 70.11 2wsb s THR 214 CO 0.28 0.32 1.79 -0.65 -0.69 0.00 0.00 174.62 175.68 2wsb h PRO 215 N 8.20 0.80 0.00 4.92 0.11 -1.77 0.29 132.00 144.56 2wsb h PRO 215 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wsb h PRO 215 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2wsb h PRO 215 CO 0.59 0.53 0.00 -1.33 -0.21 0.00 0.00 178.00 177.58 2wsb n MET 216 N -4.73 0.21 -1.47 1.05 2.81 -0.61 -4.90 117.12 109.48 2wsb n MET 216 Ca 0.21 0.41 -0.06 0.00 -1.81 0.00 0.00 57.70 56.45 2wsb n MET 216 Cb 0.49 -1.89 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 2wsb n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wsb n GLY 217 N 0.11 0.64 3.35 3.03 0.00 0.10 -4.98 105.19 107.44 2wsb n GLY 217 Ca 0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 2wsb n GLY 217 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wsb s ARG 218 N -3.09 0.92 0.81 1.61 1.70 -1.26 -4.96 118.95 114.68 2wsb s ARG 218 Ca 0.00 -0.20 -0.11 0.00 -0.47 0.00 0.00 55.73 54.95 2wsb s ARG 218 Cb 0.00 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 34.88 2wsb s ARG 218 CO 0.00 -0.31 1.10 0.00 -1.08 0.00 0.00 175.30 175.01 2wsb s GLY 220 N -3.33 1.69 0.26 0.00 0.00 0.29 -4.90 107.32 101.32 2wsb s GLY 220 Ca 0.62 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 2wsb s GLY 220 CO 0.56 -0.26 0.46 -0.54 0.00 0.00 0.00 173.10 173.32 2wsb s GLU 221 N -4.27 3.52 0.43 2.90 0.41 -1.26 -0.88 118.70 119.56 2wsb s GLU 221 Ca 0.48 -0.31 0.14 0.00 -0.41 0.00 0.00 54.97 54.87 2wsb s GLU 221 Cb -0.10 -2.76 1.03 0.00 -1.78 0.00 0.00 34.13 30.51 2wsb s GLU 221 CO 0.38 0.30 1.98 -1.35 -0.49 0.00 0.00 175.26 176.08 2wsb h PRO 222 N 1.53 0.40 -0.32 0.39 0.11 -1.94 0.68 132.00 132.84 2wsb h PRO 222 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wsb h PRO 222 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2wsb h PRO 222 CO 0.65 0.26 0.19 0.66 -0.21 0.00 0.00 178.00 179.56 2wsb h SER 223 N 0.41 0.38 1.46 -2.05 4.64 -1.95 0.13 113.55 116.58 2wsb h SER 223 Ca 0.27 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2wsb h SER 223 Cb 0.53 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2wsb h SER 223 CO -0.08 0.29 0.00 -0.33 -0.87 0.00 0.00 176.83 175.85 2wsb h GLU 224 N 0.44 0.00 0.15 4.77 5.08 -1.25 -1.32 114.58 122.45 2wsb h GLU 224 Ca 0.12 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.17 2wsb h GLU 224 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2wsb h GLU 224 CO -0.02 0.00 -1.56 0.82 -1.00 0.00 0.00 179.01 177.25 2wsb h ILE 225 N 0.00 0.99 -0.23 3.13 1.08 -1.25 -3.30 117.51 117.93 2wsb h ILE 225 Ca 0.00 -2.45 -0.04 0.00 -0.39 0.00 0.00 64.86 61.98 2wsb h ILE 225 Cb 0.73 2.75 -0.01 0.00 -3.07 0.00 0.00 36.82 37.21 2wsb h ILE 225 CO 0.00 0.78 -0.03 0.00 -0.69 0.00 0.00 178.15 178.20 2wsb h ALA 226 N 0.03 1.51 -0.63 1.87 0.00 -0.66 -0.95 119.26 120.43 2wsb h ALA 226 Ca -0.32 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2wsb h ALA 226 Cb 1.91 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2wsb h ALA 226 CO 0.12 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.84 2wsb h ALA 227 N 1.63 1.04 -0.17 0.00 0.00 -1.38 -0.15 119.26 120.24 2wsb h ALA 227 Ca 0.08 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 2wsb h ALA 227 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wsb h ALA 227 CO 0.01 0.62 -0.53 0.00 0.00 0.00 0.00 179.25 179.36 2wsb h ALA 228 N 1.18 0.77 -0.70 0.00 0.00 -1.45 -2.13 119.26 116.93 2wsb h ALA 228 Ca 0.20 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2wsb h ALA 228 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2wsb h ALA 228 CO 0.01 0.68 0.28 0.00 0.00 0.00 0.00 179.25 180.22 2wsb h ALA 229 N 1.05 0.91 -0.30 0.00 0.00 -0.74 -1.94 119.26 118.24 2wsb h ALA 229 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2wsb h ALA 229 Cb 1.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2wsb h ALA 229 CO 0.10 0.53 0.14 1.25 0.00 0.00 0.00 179.25 181.27 2wsb h LEU 230 N 1.00 0.39 -0.29 0.00 5.85 -0.88 0.11 115.31 121.49 2wsb h LEU 230 Ca 0.23 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2wsb h LEU 230 Cb 0.21 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 2wsb h LEU 230 CO -0.02 0.40 -0.41 0.15 -0.34 0.00 0.00 178.44 178.23 2wsb h PHE 231 N 0.35 -1.16 0.00 1.25 3.57 -1.17 -1.60 116.94 118.18 2wsb h PHE 231 Ca 0.10 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2wsb h PHE 231 Cb 0.12 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2wsb h PHE 231 CO -0.02 -0.44 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.20 2wsb h LEU 232 N -0.38 0.00 0.00 0.59 3.38 -0.92 -2.43 115.31 115.55 2wsb h LEU 232 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wsb h LEU 232 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wsb h LEU 232 CO -0.49 0.35 -0.16 0.00 0.09 0.00 0.00 178.44 178.23 2wsb n ALA 233 N -2.39 2.51 -2.08 1.53 0.00 0.34 -4.77 120.51 115.65 2wsb n ALA 233 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 2wsb n ALA 233 Cb 0.42 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.51 2wsb n ALA 233 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wsb s SER 234 N -4.05 5.47 0.53 0.00 1.04 -0.63 -4.88 113.70 111.18 2wsb s SER 234 Ca 0.10 0.02 0.36 0.00 0.48 0.00 0.00 55.95 56.91 2wsb s SER 234 Cb 0.14 -1.03 1.91 0.00 0.10 0.00 0.00 66.02 67.14 2wsb s SER 234 CO 0.61 -0.98 2.09 -0.65 0.98 0.00 0.00 173.24 175.30 2wsb h PRO 235 N 0.23 0.00 0.00 4.02 0.11 -1.78 -1.88 132.00 132.70 2wsb h PRO 235 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wsb h PRO 235 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wsb h PRO 235 CO 0.53 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.30 2wsb h ALA 236 N 2.01 1.60 -0.81 -0.75 0.00 -1.60 -2.22 119.26 117.49 2wsb h ALA 236 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.47 2wsb h ALA 236 Cb 0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.58 2wsb h ALA 236 CO 0.00 0.02 0.54 0.00 0.00 0.00 0.00 179.25 179.80 2wsb n ALA 237 N -2.37 5.02 0.29 0.00 0.00 -0.71 -4.67 120.51 118.08 2wsb n ALA 237 Ca -0.03 -2.35 0.18 0.00 0.00 0.00 0.00 53.44 51.25 2wsb n ALA 237 Cb 0.10 -1.37 0.94 0.00 0.00 0.00 0.00 19.45 19.12 2wsb n ALA 237 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wsb h SER 238 N 0.82 0.00 -0.49 0.00 4.64 -1.57 0.02 113.55 116.97 2wsb h SER 238 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2wsb h SER 238 Cb 2.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.59 2wsb h SER 238 CO 0.90 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.86 2wsb n TYR 239 N -2.80 0.79 -3.68 4.77 9.36 -1.26 -4.92 117.16 119.42 2wsb n TYR 239 Ca -0.02 -0.55 -0.38 0.00 3.32 0.00 0.00 57.90 60.27 2wsb n TYR 239 Cb 0.10 -0.08 -0.12 0.00 -0.63 0.00 0.00 39.34 38.62 2wsb n TYR 239 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wsb s VAL 240 N -1.28 4.47 -0.03 2.97 1.01 -0.01 -5.06 120.40 122.47 2wsb s VAL 240 Ca 0.36 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2wsb s VAL 240 Cb 0.21 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2wsb s VAL 240 CO 0.21 0.07 0.21 0.28 0.00 0.00 0.00 175.10 175.87 2wsb s THR 241 N 1.59 0.05 -0.13 3.92 -1.32 -1.26 -4.68 115.64 113.80 2wsb s THR 241 Ca 0.04 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2wsb s THR 241 Cb -0.17 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 2wsb s THR 241 CO 0.05 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 2wsb n GLY 242 N 1.99 0.36 3.83 6.08 0.00 0.98 -4.96 105.19 113.48 2wsb n GLY 242 Ca -0.19 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2wsb n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 243 N -1.60 3.41 -0.35 4.61 0.00 -1.26 -4.75 121.76 121.82 2wsb s ALA 243 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2wsb s ALA 243 Cb 0.00 -2.74 0.06 0.00 0.00 0.00 0.00 23.12 20.44 2wsb s ALA 243 CO 0.00 0.36 0.10 0.42 0.00 0.00 0.00 175.76 176.64 2wsb s ILE 244 N -1.70 3.42 -0.38 0.00 -1.09 -1.26 -0.98 121.20 119.22 2wsb s ILE 244 Ca 0.47 -1.45 -0.17 0.00 -2.23 0.00 0.00 60.65 57.27 2wsb s ILE 244 Cb -0.14 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2wsb s ILE 244 CO 0.19 -0.29 0.47 -0.22 -1.23 0.00 0.00 174.94 173.86 2wsb s LEU 245 N 1.29 4.52 0.10 2.97 2.96 -0.05 -4.89 118.68 125.58 2wsb s LEU 245 Ca -0.00 -0.29 -0.31 0.00 -0.22 0.00 0.00 54.13 53.31 2wsb s LEU 245 Cb -0.21 -2.49 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 2wsb s LEU 245 CO -0.00 -0.50 1.30 0.00 -1.32 0.00 0.00 176.35 175.83 2wsb s ALA 246 N 2.28 3.50 -0.48 5.97 0.00 -1.26 -0.68 121.76 131.09 2wsb s ALA 246 Ca 0.16 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.17 2wsb s ALA 246 Cb -0.16 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.67 2wsb s ALA 246 CO 0.14 -0.53 0.47 0.28 0.00 0.00 0.00 175.76 176.11 2wsb n VAL 247 N 3.88 -0.20 -1.60 0.00 0.31 -0.75 -4.90 118.33 115.06 2wsb n VAL 247 Ca 0.10 -4.04 0.01 0.00 -0.01 0.00 0.00 64.34 60.41 2wsb n VAL 247 Cb 0.44 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.51 2wsb n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wsb n ASP 248 N 2.02 0.43 -0.18 4.52 5.68 -1.26 -0.86 116.55 126.90 2wsb n ASP 248 Ca 0.26 -1.98 -0.02 0.00 -0.50 0.00 0.00 54.79 52.54 2wsb n ASP 248 Cb 0.47 -0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 2wsb n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wsb n GLY 249 N -0.23 0.41 0.97 6.12 0.00 -1.26 -1.19 105.19 110.02 2wsb n GLY 249 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wsb n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsb n GLY 250 N -0.73 0.73 0.24 -0.02 0.00 -1.26 -1.57 105.19 102.57 2wsb n GLY 250 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wsb n GLY 250 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wsb h TYR 251 N 0.00 0.27 0.00 1.61 3.20 -1.41 -0.09 116.97 120.56 2wsb h TYR 251 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wsb h TYR 251 Cb 0.00 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2wsb h TYR 251 CO 0.00 -0.00 0.00 0.25 -1.64 0.00 0.00 178.16 176.77 2wsb n THR 252 N -5.09 0.00 0.06 1.81 -2.24 -1.26 -3.36 114.28 104.19 2wsb n THR 252 Ca 0.10 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.69 2wsb n THR 252 Cb 0.34 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 2wsb n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wsb h VAL 253 N 0.00 1.31 0.00 2.28 2.07 -1.41 -3.52 116.25 116.98 2wsb h VAL 253 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 2wsb h VAL 253 Cb 0.00 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2wsb h VAL 253 CO 0.00 0.71 0.00 0.79 0.02 0.00 0.00 177.57 179.09