#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdz s ASP 2 N 0.00 5.57 0.38 6.12 2.15 -1.26 -4.96 116.67 124.66 2wdz s ASP 2 Ca 0.00 -1.41 0.28 0.00 0.43 0.00 0.00 52.55 51.84 2wdz s ASP 2 Cb 0.00 -1.96 1.04 0.00 -0.30 0.00 0.00 42.92 41.70 2wdz s ASP 2 CO 0.00 -0.48 1.81 1.88 -0.17 0.00 0.00 175.17 178.21 2wdz h TYR 3 N 8.36 0.00 0.00 -5.34 0.05 -2.07 -1.85 116.97 116.12 2wdz h TYR 3 Ca -0.23 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.51 2wdz h TYR 3 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 2wdz h TYR 3 CO 0.60 0.00 -0.20 -0.09 -1.05 0.00 0.00 178.16 177.43 2wdz h ARG 4 N 0.00 0.00 0.00 4.88 2.43 -2.06 -3.31 114.38 116.33 2wdz h ARG 4 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wdz h ARG 4 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2wdz h ARG 4 CO 0.00 0.20 0.00 0.25 -1.51 0.00 0.00 179.97 178.91 2wdz n THR 5 N -3.30 0.32 0.28 0.20 -2.24 -1.09 -4.78 114.28 103.66 2wdz n THR 5 Ca 0.01 -0.45 0.16 0.00 -2.27 0.00 0.00 64.05 61.50 2wdz n THR 5 Cb 0.45 1.03 0.77 0.00 -2.10 0.00 0.00 70.33 70.48 2wdz n THR 5 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2wdz h VAL 6 N 0.91 0.29 -0.03 2.28 3.04 -1.43 -1.20 116.25 120.11 2wdz h VAL 6 Ca 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2wdz h VAL 6 Cb 0.49 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2wdz h VAL 6 CO 0.00 0.07 0.00 0.49 -1.01 0.00 0.00 177.57 177.12 2wdz n PHE 7 N -3.34 0.02 -2.20 3.17 3.72 -1.26 -2.47 117.46 115.10 2wdz n PHE 7 Ca -0.01 -0.01 -0.28 0.00 -0.05 0.00 0.00 57.45 57.10 2wdz n PHE 7 Cb 0.25 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.83 2wdz n PHE 7 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wdz s ARG 8 N -1.98 2.90 -0.17 -1.08 1.81 -0.46 -4.82 118.95 115.16 2wdz s ARG 8 Ca 0.40 0.18 0.15 0.00 -1.72 0.00 0.00 55.73 54.73 2wdz s ARG 8 Cb 0.20 -2.18 0.36 0.00 -0.45 0.00 0.00 34.95 32.89 2wdz s ARG 8 CO 0.33 -0.82 1.19 1.28 -0.68 0.00 0.00 175.30 176.59 2wdz n LEU 9 N -2.74 2.53 -4.71 2.53 4.77 0.38 -4.53 117.00 115.23 2wdz n LEU 9 Ca 0.05 -3.52 -0.58 0.00 -0.03 0.00 0.00 56.01 51.93 2wdz n LEU 9 Cb 0.57 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2wdz n LEU 9 CO 0.55 1.09 1.29 0.47 -1.33 0.00 0.00 177.39 179.45 2wdz n ASP 10 N -1.25 2.25 0.00 -1.43 8.00 -1.15 -1.58 116.55 121.40 2wdz n ASP 10 Ca 0.18 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2wdz n ASP 10 Cb 0.67 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2wdz n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdz n GLY 11 N 4.07 0.69 3.86 0.44 0.00 -1.14 -4.97 105.19 108.14 2wdz n GLY 11 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2wdz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 12 N -2.64 3.43 -0.14 4.61 0.00 -0.61 -4.97 121.76 121.44 2wdz s ALA 12 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2wdz s ALA 12 Cb 0.00 -2.61 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 2wdz s ALA 12 CO 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 175.76 175.98 2wdz s ALA 14 N 0.68 2.56 -0.15 0.00 0.00 1.00 -1.48 121.76 124.37 2wdz s ALA 14 Ca -0.08 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 2wdz s ALA 14 Cb -0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2wdz s ALA 14 CO 0.02 0.34 0.29 0.00 0.00 0.00 0.00 175.76 176.41 2wdz s ALA 15 N 0.03 3.61 -0.14 0.00 0.00 0.16 -0.97 121.76 124.45 2wdz s ALA 15 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2wdz s ALA 15 Cb -0.15 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.63 2wdz s ALA 15 CO 0.04 0.14 -0.11 0.08 0.00 0.00 0.00 175.76 175.92 2wdz s VAL 16 N 0.31 1.36 0.30 0.00 1.01 -0.81 -0.09 120.40 122.48 2wdz s VAL 16 Ca 0.17 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 2wdz s VAL 16 Cb -0.13 -1.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 2wdz s VAL 16 CO 0.04 0.37 0.68 0.42 0.00 0.00 0.00 175.10 176.61 2wdz s THR 17 N 1.56 4.77 -1.24 3.92 -4.23 -0.23 -1.86 115.64 118.34 2wdz s THR 17 Ca 0.04 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 2wdz s THR 17 Cb -0.13 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2wdz s THR 17 CO -0.09 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2wdz n GLY 18 N -0.38 0.35 0.00 3.99 0.00 0.21 -2.46 105.19 106.90 2wdz n GLY 18 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2wdz n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz n ALA 19 N -0.68 1.17 0.08 4.61 0.00 -0.74 -3.68 120.51 121.27 2wdz n ALA 19 Ca -0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2wdz n ALA 19 Cb 0.56 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 2wdz n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wdz h GLY 20 N 0.65 0.26 -2.27 0.00 0.00 -1.86 -3.25 103.07 96.58 2wdz h GLY 20 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 47.33 46.33 2wdz h GLY 20 CO 0.00 0.57 -0.58 -1.35 0.00 0.00 0.00 176.54 175.18 2wdz s SER 21 N -7.00 0.97 1.77 0.19 1.04 -1.24 -4.67 113.70 104.76 2wdz s SER 21 Ca -0.05 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.87 2wdz s SER 21 Cb 0.07 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2wdz s SER 21 CO 0.86 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2wdz n GLY 22 N -0.45 3.48 0.31 7.32 0.00 -1.26 -2.35 105.19 112.24 2wdz n GLY 22 Ca 0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2wdz n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wdz h ILE 23 N 0.00 0.00 -0.81 -0.61 2.04 -1.92 -1.61 117.51 114.60 2wdz h ILE 23 Ca 0.00 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 65.86 2wdz h ILE 23 Cb 0.00 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.95 2wdz h ILE 23 CO 0.00 0.00 -0.33 0.61 0.00 0.00 0.00 178.15 178.43 2wdz n GLY 24 N -0.88 -1.71 0.22 5.37 0.00 -1.20 0.31 105.19 107.29 2wdz n GLY 24 Ca -0.10 0.92 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 2wdz n GLY 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wdz h LEU 25 N 0.00 0.41 -0.37 0.99 5.85 -1.36 -0.06 115.31 120.77 2wdz h LEU 25 Ca 0.27 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2wdz h LEU 25 Cb 0.47 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2wdz h LEU 25 CO -0.81 0.27 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.29 2wdz h GLU 26 N 0.55 0.79 -0.62 1.25 4.57 0.88 -1.04 114.58 120.96 2wdz h GLU 26 Ca 0.25 -0.35 0.12 0.00 -1.18 0.00 0.00 59.36 58.20 2wdz h GLU 26 Cb 0.17 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.65 2wdz h GLU 26 CO -0.18 0.98 0.12 0.82 -1.18 0.00 0.00 179.01 179.57 2wdz h ILE 27 N 0.58 0.61 -0.50 2.32 2.04 -0.91 0.13 117.51 121.78 2wdz h ILE 27 Ca 0.08 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2wdz h ILE 27 Cb 0.75 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 2wdz h ILE 27 CO 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 178.15 178.21 2wdz h ARG 29 N 0.07 -0.12 -0.90 0.00 3.08 -0.76 -0.43 114.38 115.32 2wdz h ARG 29 Ca 0.25 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.39 2wdz h ARG 29 Cb 0.38 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 2wdz h ARG 29 CO -0.45 -0.08 0.56 0.00 -1.07 0.00 0.00 179.97 178.92 2wdz h ALA 30 N 0.81 1.27 -0.33 0.04 0.00 -0.34 -0.47 119.26 120.25 2wdz h ALA 30 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2wdz h ALA 30 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wdz h ALA 30 CO -0.02 0.26 -0.45 0.74 0.00 0.00 0.00 179.25 179.78 2wdz h PHE 31 N 0.97 1.05 -0.51 0.00 -1.00 0.70 -1.78 116.94 116.37 2wdz h PHE 31 Ca 0.41 -0.34 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 2wdz h PHE 31 Cb 0.27 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2wdz h PHE 31 CO -0.03 1.15 0.20 0.00 -1.61 0.00 0.00 178.31 178.02 2wdz h ALA 32 N 0.79 0.67 0.00 2.45 0.00 -0.99 -0.37 119.26 121.81 2wdz h ALA 32 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2wdz h ALA 32 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2wdz h ALA 32 CO 0.10 0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.47 2wdz h ALA 33 N 1.05 1.16 -0.13 0.00 0.00 -0.92 -2.26 119.26 118.15 2wdz h ALA 33 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wdz h ALA 33 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wdz h ALA 33 CO -0.01 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.88 2wdz n SER 34 N -3.53 1.20 0.00 0.00 7.64 -0.68 -4.93 113.62 113.32 2wdz n SER 34 Ca -0.01 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.20 2wdz n SER 34 Cb 0.32 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2wdz n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdz n GLY 35 N 1.01 0.90 3.89 0.23 0.00 -0.85 -0.47 105.19 109.91 2wdz n GLY 35 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2wdz n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 36 N -2.00 3.53 0.15 4.61 0.00 -0.20 -2.87 121.76 124.99 2wdz s ALA 36 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 2wdz s ALA 36 Cb 0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 2wdz s ALA 36 CO 0.00 0.17 0.39 1.03 0.00 0.00 0.00 175.76 177.34 2wdz s ARG 37 N -3.63 3.62 0.08 0.00 1.81 -0.07 -4.27 118.95 116.48 2wdz s ARG 37 Ca 0.46 -0.10 0.09 0.00 -1.72 0.00 0.00 55.73 54.47 2wdz s ARG 37 Cb -0.11 -2.84 -0.03 0.00 -0.45 0.00 0.00 34.95 31.53 2wdz s ARG 37 CO 0.30 0.45 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.63 2wdz s LEU 38 N -2.74 2.24 -0.25 2.53 1.43 0.10 -0.00 118.68 121.99 2wdz s LEU 38 Ca 0.41 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2wdz s LEU 38 Cb -0.12 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.06 2wdz s LEU 38 CO 0.25 0.15 -0.04 -0.63 0.23 0.00 0.00 176.35 176.31 2wdz s ILE 39 N -0.97 3.02 -0.17 -0.59 -1.09 -0.14 -0.24 121.20 121.02 2wdz s ILE 39 Ca 0.10 -0.97 -0.14 0.00 -2.23 0.00 0.00 60.65 57.40 2wdz s ILE 39 Cb -0.10 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 2wdz s ILE 39 CO 0.04 0.19 0.32 -0.76 -1.23 0.00 0.00 174.94 173.49 2wdz s LEU 40 N 1.35 4.22 -0.09 2.97 1.43 -0.50 -1.93 118.68 126.14 2wdz s LEU 40 Ca 0.01 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2wdz s LEU 40 Cb -0.17 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2wdz s LEU 40 CO -0.04 0.06 -0.05 -0.63 0.23 0.00 0.00 176.35 175.92 2wdz s ILE 41 N 0.65 0.79 0.04 -0.59 1.09 -0.78 -1.02 121.20 121.38 2wdz s ILE 41 Ca 0.17 -0.17 -0.18 0.00 -1.10 0.00 0.00 60.65 59.38 2wdz s ILE 41 Cb -0.13 -0.84 0.03 0.00 -1.06 0.00 0.00 42.46 40.46 2wdz s ILE 41 CO 0.05 0.32 0.40 -0.62 -0.10 0.00 0.00 174.94 174.99 2wdz s ASP 42 N 1.61 -0.28 0.28 3.58 -1.08 -1.21 -0.62 116.67 118.96 2wdz s ASP 42 Ca 0.02 0.02 0.15 0.00 -0.52 0.00 0.00 52.55 52.21 2wdz s ASP 42 Cb -0.13 0.41 0.15 0.00 -1.46 0.00 0.00 42.92 41.90 2wdz s ASP 42 CO -0.05 -0.64 1.48 0.08 0.52 0.00 0.00 175.17 176.56 2wdz h ARG 43 N 3.10 0.00 -5.51 4.34 0.11 -1.85 -2.97 114.38 111.61 2wdz h ARG 43 Ca -0.31 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.14 2wdz h ARG 43 Cb 1.20 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.14 2wdz h ARG 43 CO 0.43 0.54 0.72 -2.00 0.10 0.00 0.00 179.97 179.76 2wdz s GLU 44 N -3.05 3.24 0.16 0.08 2.12 -1.26 -4.84 118.70 115.15 2wdz s GLU 44 Ca 0.03 -0.96 -0.19 0.00 0.36 0.00 0.00 54.97 54.21 2wdz s GLU 44 Cb 0.08 -4.43 0.06 0.00 0.26 0.00 0.00 34.13 30.11 2wdz s GLU 44 CO 0.74 -1.87 1.66 0.00 -0.54 0.00 0.00 175.26 175.25 2wdz h ALA 45 N 9.50 0.14 -0.16 6.30 0.00 -1.99 -1.95 119.26 131.11 2wdz h ALA 45 Ca -0.17 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2wdz h ALA 45 Cb 1.06 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2wdz h ALA 45 CO 1.20 -0.51 -0.39 0.00 0.00 0.00 0.00 179.25 179.54 2wdz h ALA 46 N 1.21 -0.51 -0.54 0.00 0.00 -1.99 0.21 119.26 117.65 2wdz h ALA 46 Ca 0.17 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2wdz h ALA 46 Cb 0.32 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2wdz h ALA 46 CO -0.38 -0.88 0.26 0.00 0.00 0.00 0.00 179.25 178.25 2wdz h ALA 47 N 0.24 0.69 -0.38 0.00 0.00 -1.87 -0.86 119.26 117.07 2wdz h ALA 47 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2wdz h ALA 47 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wdz h ALA 47 CO -0.40 -0.10 0.26 1.25 0.00 0.00 0.00 179.25 180.26 2wdz h LEU 48 N 0.50 0.17 -0.57 0.00 6.46 -0.28 -1.04 115.31 120.55 2wdz h LEU 48 Ca 0.24 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.85 2wdz h LEU 48 Cb 0.18 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2wdz h LEU 48 CO -0.19 0.11 -0.57 -0.78 -0.62 0.00 0.00 178.44 176.40 2wdz h ASP 49 N 0.20 0.50 0.07 1.25 -0.00 0.79 -2.80 116.42 116.43 2wdz h ASP 49 Ca 0.17 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.03 56.93 2wdz h ASP 49 Cb 0.44 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 2wdz h ASP 49 CO -0.03 0.96 -0.03 0.03 -0.00 0.00 0.00 179.24 180.17 2wdz h ARG 50 N 0.34 -0.09 -0.51 0.28 3.08 -0.89 -2.72 114.38 113.88 2wdz h ARG 50 Ca 0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2wdz h ARG 50 Cb 1.09 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.06 2wdz h ARG 50 CO 0.10 0.09 -0.31 0.00 -1.07 0.00 0.00 179.97 178.79 2wdz h ALA 51 N 0.66 -0.05 -0.72 0.04 0.00 -1.39 -2.24 119.26 115.57 2wdz h ALA 51 Ca -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wdz h ALA 51 Cb 0.23 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2wdz h ALA 51 CO 0.02 -0.67 0.25 0.00 0.00 0.00 0.00 179.25 178.84 2wdz h ALA 52 N 0.96 1.08 0.07 0.00 0.00 -1.47 -1.47 119.26 118.44 2wdz h ALA 52 Ca 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wdz h ALA 52 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wdz h ALA 52 CO -0.61 0.64 -0.03 0.37 0.00 0.00 0.00 179.25 179.61 2wdz h GLN 53 N 1.06 -0.09 -0.19 0.00 5.75 -1.13 -1.51 115.11 118.99 2wdz h GLN 53 Ca 0.24 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.64 2wdz h GLN 53 Cb 0.26 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2wdz h GLN 53 CO -0.01 -0.05 -0.32 1.49 -2.65 0.00 0.00 178.83 177.28 2wdz h GLU 54 N -0.10 0.38 0.00 1.69 4.81 -1.07 -3.24 114.58 117.05 2wdz h GLU 54 Ca -0.01 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2wdz h GLU 54 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2wdz h GLU 54 CO 0.02 0.66 -1.06 -0.07 -0.73 0.00 0.00 179.01 177.83 2wdz h LEU 55 N 0.33 0.00 0.00 1.64 3.38 -1.19 -3.49 115.31 115.98 2wdz h LEU 55 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wdz h LEU 55 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2wdz h LEU 55 CO 0.06 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2wdz n GLY 56 N 1.27 3.31 0.09 0.83 0.00 -0.58 -3.25 105.19 106.87 2wdz n GLY 56 Ca -0.04 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2wdz n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz n ALA 57 N 11.69 1.95 0.54 4.61 0.00 -1.26 -1.98 120.51 136.06 2wdz n ALA 57 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2wdz n ALA 57 Cb 0.00 -1.41 0.45 0.00 0.00 0.00 0.00 19.45 18.50 2wdz n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdz n ALA 58 N -1.72 1.91 -2.67 0.00 0.00 -1.20 -4.66 120.51 112.17 2wdz n ALA 58 Ca 0.04 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2wdz n ALA 58 Cb 0.30 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 2wdz n ALA 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdz s VAL 59 N -3.18 4.80 -0.12 0.00 1.01 -0.84 0.01 120.40 122.09 2wdz s VAL 59 Ca 0.07 1.80 0.14 0.00 0.00 0.00 0.00 61.98 63.99 2wdz s VAL 59 Cb 0.11 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 2wdz s VAL 59 CO 0.45 -0.05 0.36 0.00 0.00 0.00 0.00 175.10 175.86 2wdz n ALA 60 N 5.63 1.47 -3.55 5.51 0.00 0.67 -4.83 120.51 125.40 2wdz n ALA 60 Ca 0.07 -1.02 -0.09 0.00 0.00 0.00 0.00 53.44 52.41 2wdz n ALA 60 Cb 0.48 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 2wdz n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdz s ALA 61 N -2.55 -1.91 -0.06 0.00 0.00 -1.09 -5.01 121.76 111.15 2wdz s ALA 61 Ca -0.09 1.36 -0.00 0.00 0.00 0.00 0.00 51.96 53.23 2wdz s ALA 61 Cb 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2wdz s ALA 61 CO 0.82 -0.50 -0.03 0.50 0.00 0.00 0.00 175.76 176.54 2wdz s ARG 62 N -2.12 0.84 -0.09 0.00 3.52 -1.26 -1.41 118.95 118.42 2wdz s ARG 62 Ca 0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2wdz s ARG 62 Cb -0.01 -0.99 0.02 0.00 -1.56 0.00 0.00 34.95 32.42 2wdz s ARG 62 CO -0.04 -0.19 -0.05 0.42 -0.81 0.00 0.00 175.30 174.63 2wdz s ILE 63 N 1.43 0.81 -0.36 4.11 1.01 -0.19 -4.97 121.20 123.04 2wdz s ILE 63 Ca -0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 2wdz s ILE 63 Cb -0.13 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2wdz s ILE 63 CO -0.03 0.33 0.67 -0.69 0.00 0.00 0.00 174.94 175.21 2wdz s VAL 64 N 1.67 4.85 0.00 2.92 1.01 -1.26 -3.30 120.40 126.30 2wdz s VAL 64 Ca 0.03 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 2wdz s VAL 64 Cb -0.13 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.17 2wdz s VAL 64 CO -0.06 -0.35 0.34 0.00 0.00 0.00 0.00 175.10 175.03 2wdz s ALA 65 N 2.79 -0.83 -0.26 5.51 0.00 -1.12 -4.99 121.76 122.87 2wdz s ALA 65 Ca 0.26 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.34 2wdz s ALA 65 Cb -0.14 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2wdz s ALA 65 CO 0.15 -0.32 0.51 0.34 0.00 0.00 0.00 175.76 176.45 2wdz s ASP 66 N -1.55 6.43 0.64 0.00 -1.08 -1.26 -2.61 116.67 117.24 2wdz s ASP 66 Ca -0.11 0.52 0.43 0.00 -0.52 0.00 0.00 52.55 52.86 2wdz s ASP 66 Cb -0.04 -2.28 2.27 0.00 -1.46 0.00 0.00 42.92 41.42 2wdz s ASP 66 CO 0.02 -0.28 2.30 -0.37 0.52 0.00 0.00 175.17 177.36 2wdz h VAL 67 N 5.39 0.00 0.00 1.11 -1.51 -1.96 -1.90 116.25 117.39 2wdz h VAL 67 Ca -0.29 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2wdz h VAL 67 Cb 1.14 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2wdz h VAL 67 CO 0.71 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.40 2wdz n THR 68 N -3.03 0.46 -2.97 7.19 -2.24 -1.26 -4.20 114.28 108.24 2wdz n THR 68 Ca -0.03 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 2wdz n THR 68 Cb 0.09 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.61 2wdz n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wdz s ASP 69 N -3.86 6.26 0.37 3.42 -1.08 -0.71 -4.91 116.67 116.16 2wdz s ASP 69 Ca 0.11 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.47 2wdz s ASP 69 Cb 0.14 -2.37 0.76 0.00 -1.46 0.00 0.00 42.92 39.98 2wdz s ASP 69 CO 0.52 -1.15 1.98 0.00 0.52 0.00 0.00 175.17 177.05 2wdz h ALA 70 N 9.24 1.70 -0.29 3.66 0.00 -1.86 -1.94 119.26 129.77 2wdz h ALA 70 Ca -0.27 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2wdz h ALA 70 Cb 1.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2wdz h ALA 70 CO 1.06 0.22 -0.19 0.93 0.00 0.00 0.00 179.25 181.27 2wdz h GLU 71 N 0.72 0.64 -0.90 0.00 5.08 -1.95 -0.94 114.58 117.22 2wdz h GLU 71 Ca 0.27 -0.30 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 2wdz h GLU 71 Cb 0.17 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.31 2wdz h GLU 71 CO -0.08 0.89 0.49 0.00 -1.00 0.00 0.00 179.01 179.32 2wdz h ALA 72 N 0.73 1.41 -0.19 3.43 0.00 -1.72 -0.37 119.26 122.55 2wdz h ALA 72 Ca 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2wdz h ALA 72 Cb 0.73 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wdz h ALA 72 CO 0.05 -0.07 -0.27 0.52 0.00 0.00 0.00 179.25 179.48 2wdz h MET 73 N 0.67 0.52 -0.87 0.00 2.86 -1.15 -0.40 114.93 116.57 2wdz h MET 73 Ca 0.50 -0.31 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 2wdz h MET 73 Cb 0.74 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 2wdz h MET 73 CO -0.37 0.90 0.54 1.15 1.06 0.00 0.00 176.91 180.19 2wdz h THR 74 N 0.18 1.05 -0.16 2.22 2.02 -0.85 -2.04 112.91 115.33 2wdz h THR 74 Ca 0.02 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2wdz h THR 74 Cb 0.84 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2wdz h THR 74 CO 0.06 0.18 -0.23 0.00 0.37 0.00 0.00 175.52 175.90 2wdz h ALA 75 N 1.41 0.24 -0.80 6.16 0.00 -0.98 -2.21 119.26 123.08 2wdz h ALA 75 Ca 0.38 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2wdz h ALA 75 Cb 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2wdz h ALA 75 CO -0.17 0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.70 2wdz h ALA 76 N 0.59 1.16 -0.22 0.00 0.00 -0.89 0.13 119.26 120.02 2wdz h ALA 76 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wdz h ALA 76 Cb 0.80 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wdz h ALA 76 CO 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 179.25 179.12 2wdz h ALA 77 N 1.49 0.31 -0.36 0.00 0.00 -1.25 -0.45 119.26 119.00 2wdz h ALA 77 Ca 0.41 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2wdz h ALA 77 Cb 0.49 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2wdz h ALA 77 CO -0.30 0.20 -0.33 0.00 0.00 0.00 0.00 179.25 178.82 2wdz h ALA 78 N 0.68 -0.22 -0.44 0.00 0.00 -1.17 -1.58 119.26 116.53 2wdz h ALA 78 Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wdz h ALA 78 Cb 0.68 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2wdz h ALA 78 CO 0.04 -0.74 0.26 0.93 0.00 0.00 0.00 179.25 179.74 2wdz h GLU 79 N -0.28 0.50 -0.21 0.00 5.08 -0.74 -2.44 114.58 116.51 2wdz h GLU 79 Ca 0.16 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2wdz h GLU 79 Cb 0.54 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2wdz h GLU 79 CO -0.51 0.33 0.04 0.00 -1.00 0.00 0.00 179.01 177.87 2wdz h ALA 80 N 1.20 0.21 -0.69 3.43 0.00 -0.98 -2.93 119.26 119.49 2wdz h ALA 80 Ca 0.18 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wdz h ALA 80 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2wdz h ALA 80 CO -0.09 -0.39 0.46 0.93 0.00 0.00 0.00 179.25 180.16 2wdz h GLU 81 N 0.12 0.90 -0.20 0.00 4.39 -1.10 0.20 114.58 118.88 2wdz h GLU 81 Ca 0.09 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2wdz h GLU 81 Cb 0.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2wdz h GLU 81 CO -0.13 0.59 0.14 0.00 -1.16 0.00 0.00 179.01 178.46 2wdz h ALA 82 N 1.57 2.17 0.04 3.43 0.00 -1.26 -3.24 119.26 121.98 2wdz h ALA 82 Ca 0.26 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.78 2wdz h ALA 82 Cb -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2wdz h ALA 82 CO -0.06 -0.23 -2.26 0.28 0.00 0.00 0.00 179.25 176.99 2wdz n VAL 83 N -4.48 1.59 -3.55 0.00 0.31 -0.62 -5.02 118.33 106.56 2wdz n VAL 83 Ca 0.02 -0.54 -0.15 0.00 -0.01 0.00 0.00 64.34 63.66 2wdz n VAL 83 Cb 0.27 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 2wdz n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdz s ALA 84 N -2.52 -1.49 0.06 3.52 0.00 0.59 -5.12 121.76 116.80 2wdz s ALA 84 Ca -0.31 0.82 -0.31 0.00 0.00 0.00 0.00 51.96 52.16 2wdz s ALA 84 Cb 0.09 0.30 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 2wdz s ALA 84 CO 0.64 -0.48 1.62 -2.14 0.00 0.00 0.00 175.76 175.41 2wdz s PRO 85 N -2.11 4.21 -0.36 0.00 0.02 -1.26 -3.50 135.00 132.01 2wdz s PRO 85 Ca -0.07 2.29 -0.26 0.00 0.02 0.00 0.00 61.00 62.98 2wdz s PRO 85 Cb -0.01 -3.60 0.01 0.00 0.02 0.00 0.00 34.50 30.93 2wdz s PRO 85 CO 0.01 -0.72 0.93 0.08 -0.33 0.00 0.00 177.00 176.98 2wdz s VAL 86 N 2.62 4.59 -0.63 3.83 1.01 -1.26 -4.31 120.40 126.25 2wdz s VAL 86 Ca 0.73 1.25 0.22 0.00 0.00 0.00 0.00 61.98 64.18 2wdz s VAL 86 Cb -0.39 -4.33 -0.20 0.00 0.00 0.00 0.00 36.38 31.46 2wdz s VAL 86 CO 0.32 -0.51 0.88 -1.54 0.00 0.00 0.00 175.10 174.24 2wdz n SER 87 N 6.75 0.61 -4.09 3.32 3.41 -0.55 -4.60 113.62 118.47 2wdz n SER 87 Ca 0.07 -0.44 -0.23 0.00 -0.26 0.00 0.00 58.87 58.01 2wdz n SER 87 Cb 0.48 1.11 -0.16 0.00 -0.26 0.00 0.00 64.21 65.38 2wdz n SER 87 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wdz s ILE 88 N -3.19 1.14 -0.08 -1.33 1.09 -1.06 -0.39 121.20 117.38 2wdz s ILE 88 Ca 0.03 -0.57 0.02 0.00 -1.10 0.00 0.00 60.65 59.02 2wdz s ILE 88 Cb 0.15 -0.98 0.02 0.00 -1.06 0.00 0.00 42.46 40.59 2wdz s ILE 88 CO 0.85 0.33 -0.11 -0.22 -0.10 0.00 0.00 174.94 175.69 2wdz s LEU 89 N -0.03 1.51 -0.20 2.97 2.96 -0.03 0.36 118.68 126.22 2wdz s LEU 89 Ca -0.01 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2wdz s LEU 89 Cb -0.09 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 2wdz s LEU 89 CO 0.01 -0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.30 2wdz s VAL 90 N 0.94 3.60 -0.77 1.68 1.01 0.87 -0.65 120.40 127.08 2wdz s VAL 90 Ca -0.09 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 2wdz s VAL 90 Cb -0.15 -2.62 0.18 0.00 0.00 0.00 0.00 36.38 33.79 2wdz s VAL 90 CO 0.00 0.44 0.76 0.20 0.00 0.00 0.00 175.10 176.50 2wdz s ASN 91 N 1.12 6.60 -0.01 3.32 0.02 -0.32 -1.07 114.94 124.61 2wdz s ASN 91 Ca 0.02 -2.36 0.12 0.00 -1.02 0.00 0.00 52.86 49.62 2wdz s ASN 91 Cb -0.15 -2.24 -0.16 0.00 0.02 0.00 0.00 41.25 38.72 2wdz s ASN 91 CO 0.00 -0.72 0.38 -0.24 0.02 0.00 0.00 177.10 176.54 2wdz n SER 92 N 4.69 1.43 -4.68 -1.22 2.88 -1.03 -1.51 113.62 114.18 2wdz n SER 92 Ca 0.08 -0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 56.84 2wdz n SER 92 Cb 0.46 1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 65.19 2wdz n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdz s ALA 93 N -2.52 3.67 0.13 -1.46 0.00 -1.15 -4.75 121.76 115.69 2wdz s ALA 93 Ca -0.00 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.90 2wdz s ALA 93 Cb 0.08 -3.72 0.07 0.00 0.00 0.00 0.00 23.12 19.56 2wdz s ALA 93 CO 0.50 -1.19 0.94 0.20 0.00 0.00 0.00 175.76 176.22 2wdz s GLY 94 N 2.70 -0.27 0.14 0.00 0.00 -1.26 -4.71 107.32 103.92 2wdz s GLY 94 Ca 0.75 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 2wdz s GLY 94 CO 0.33 0.05 0.13 -0.26 0.00 0.00 0.00 173.10 173.35 2wdz s ILE 95 N -3.27 0.09 -0.06 0.90 -4.36 -1.26 -5.05 121.20 108.19 2wdz s ILE 95 Ca 0.11 -1.73 -0.06 0.00 -0.26 0.00 0.00 60.65 58.71 2wdz s ILE 95 Cb -0.01 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.74 2wdz s ILE 95 CO 0.00 -0.41 0.17 0.00 0.24 0.00 0.00 174.94 174.94 2wdz s ALA 96 N -4.02 -0.41 -0.04 2.27 0.00 -1.26 -4.96 121.76 113.33 2wdz s ALA 96 Ca 0.21 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 2wdz s ALA 96 Cb 0.06 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2wdz s ALA 96 CO 0.01 -0.08 0.04 1.03 0.00 0.00 0.00 175.76 176.76 2wdz s ARG 97 N 0.03 0.07 0.46 0.00 1.81 -1.26 -5.14 118.95 114.93 2wdz s ARG 97 Ca -0.01 0.31 -0.24 0.00 -1.72 0.00 0.00 55.73 54.07 2wdz s ARG 97 Cb -0.01 -0.59 -0.07 0.00 -0.45 0.00 0.00 34.95 33.83 2wdz s ARG 97 CO 0.00 -0.31 1.25 -0.51 -0.68 0.00 0.00 175.30 175.05 2wdz s LEU 98 N 2.03 4.04 -0.30 2.53 1.43 -1.26 -4.59 118.68 122.57 2wdz s LEU 98 Ca 0.04 2.51 -0.22 0.00 -1.03 0.00 0.00 54.13 55.42 2wdz s LEU 98 Cb -0.12 -4.14 0.20 0.00 0.03 0.00 0.00 46.19 42.16 2wdz s LEU 98 CO -0.03 -1.03 1.42 -1.38 0.23 0.00 0.00 176.35 175.56 2wdz s HIS 99 N -1.40 -0.02 0.09 0.29 -3.43 0.49 -4.97 115.29 106.34 2wdz s HIS 99 Ca 0.63 0.05 -0.24 0.00 -0.80 0.00 0.00 55.06 54.70 2wdz s HIS 99 Cb -0.34 0.35 -0.06 0.00 -1.43 0.00 0.00 32.58 31.10 2wdz s HIS 99 CO 0.42 -0.01 0.74 -0.51 -2.00 0.00 0.00 174.74 173.37 2wdz s ASP 100 N 0.31 7.25 0.25 7.38 -0.00 -1.26 -3.62 116.67 126.97 2wdz s ASP 100 Ca 0.03 1.48 -0.04 0.00 -0.00 0.00 0.00 52.55 54.02 2wdz s ASP 100 Cb -0.04 -2.46 0.47 0.00 -0.00 0.00 0.00 42.92 40.89 2wdz s ASP 100 CO -0.14 0.12 1.70 0.00 -0.00 0.00 0.00 175.17 176.84 2wdz h ALA 101 N 5.05 1.01 0.00 5.23 0.00 -1.99 0.73 119.26 129.29 2wdz h ALA 101 Ca -0.46 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wdz h ALA 101 Cb 1.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2wdz h ALA 101 CO 0.68 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.91 2wdz n LEU 102 N -5.11 0.24 -1.48 0.00 4.77 -1.26 -3.46 117.00 110.69 2wdz n LEU 102 Ca 0.15 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.71 2wdz n LEU 102 Cb 0.46 -0.46 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 2wdz n LEU 102 CO 0.14 -0.11 0.83 -0.62 -1.33 0.00 0.00 177.39 176.30 2wdz n GLU 103 N -1.73 3.85 -2.95 3.23 -0.58 0.20 -5.02 120.64 117.64 2wdz n GLU 103 Ca 0.06 -3.03 -0.40 0.00 -0.42 0.00 0.00 57.16 53.36 2wdz n GLU 103 Cb 0.33 -2.08 -0.04 0.00 -0.57 0.00 0.00 31.44 29.08 2wdz n GLU 103 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2wdz s THR 104 N -2.85 4.89 0.15 2.62 2.01 -0.91 -4.73 115.64 116.81 2wdz s THR 104 Ca 0.50 1.64 -0.21 0.00 0.31 0.00 0.00 61.69 63.92 2wdz s THR 104 Cb 0.39 -4.12 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 2wdz s THR 104 CO 0.12 0.28 0.68 1.51 -0.69 0.00 0.00 174.62 176.52 2wdz s ASP 105 N 0.50 7.17 0.23 3.53 1.47 -1.26 -4.98 116.67 123.33 2wdz s ASP 105 Ca 0.41 1.43 -0.14 0.00 1.18 0.00 0.00 52.55 55.44 2wdz s ASP 105 Cb -0.19 -2.42 0.27 0.00 -0.34 0.00 0.00 42.92 40.24 2wdz s ASP 105 CO 0.22 0.18 1.60 0.44 0.68 0.00 0.00 175.17 178.29 2wdz h ASP 106 N 4.14 -0.83 -0.52 2.11 3.32 -2.01 -2.23 116.42 120.40 2wdz h ASP 106 Ca -0.48 0.23 0.05 0.00 0.02 0.00 0.00 57.03 56.85 2wdz h ASP 106 Cb 1.20 0.50 -0.05 0.00 0.22 0.00 0.00 39.33 41.21 2wdz h ASP 106 CO 0.65 -0.26 0.25 0.00 -1.72 0.00 0.00 179.24 178.15 2wdz h ALA 107 N 1.60 0.66 -0.13 3.45 0.00 -1.98 -0.85 119.26 122.00 2wdz h ALA 107 Ca 0.34 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.33 2wdz h ALA 107 Cb 0.56 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2wdz h ALA 107 CO -0.77 -0.11 -0.20 1.15 0.00 0.00 0.00 179.25 179.32 2wdz h THR 108 N 0.48 0.50 -0.58 0.00 2.02 -1.82 0.15 112.91 113.67 2wdz h THR 108 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.44 2wdz h THR 108 Cb 0.17 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2wdz h THR 108 CO -0.18 0.00 0.36 -0.25 0.37 0.00 0.00 175.52 175.81 2wdz h TRP 109 N -0.25 0.67 -0.60 3.16 2.91 -1.32 -2.44 115.95 118.08 2wdz h TRP 109 Ca 0.10 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 2wdz h TRP 109 Cb 0.39 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 2wdz h TRP 109 CO -0.31 0.38 0.27 0.00 -1.03 0.00 0.00 178.44 177.76 2wdz h ARG 110 N 0.70 0.85 -0.10 2.65 3.08 -0.70 -2.81 114.38 118.06 2wdz h ARG 110 Ca 0.23 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.93 2wdz h ARG 110 Cb 0.01 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.91 2wdz h ARG 110 CO -0.09 0.68 -0.87 0.37 -1.07 0.00 0.00 179.97 178.99 2wdz h GLN 111 N 0.85 0.73 0.01 0.04 5.75 -0.34 -1.31 115.11 120.83 2wdz h GLN 111 Ca 0.21 -0.66 -0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2wdz h GLN 111 Cb 0.12 0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2wdz h GLN 111 CO -0.02 1.26 -0.01 0.28 -2.65 0.00 0.00 178.83 177.68 2wdz h VAL 112 N 0.47 1.08 -0.56 2.39 2.07 -1.46 -2.06 116.25 118.17 2wdz h VAL 112 Ca -0.08 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2wdz h VAL 112 Cb 1.50 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 2wdz h VAL 112 CO 0.17 0.07 0.34 0.24 0.02 0.00 0.00 177.57 178.41 2wdz h MET 113 N -0.14 0.64 -0.04 1.57 2.86 -1.53 -1.42 114.93 116.88 2wdz h MET 113 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wdz h MET 113 Cb 0.13 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2wdz h MET 113 CO 0.00 0.43 0.01 0.00 1.06 0.00 0.00 176.91 178.41 2wdz h ALA 114 N 1.25 0.04 -0.06 6.32 0.00 -1.13 -1.56 119.26 124.12 2wdz h ALA 114 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2wdz h ALA 114 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wdz h ALA 114 CO -0.10 -0.48 -0.05 0.28 0.00 0.00 0.00 179.25 178.91 2wdz h VAL 115 N 0.03 1.35 0.09 0.00 2.07 -1.33 -0.13 116.25 118.33 2wdz h VAL 115 Ca 0.02 -1.13 -0.26 0.00 0.82 0.00 0.00 66.70 66.15 2wdz h VAL 115 Cb 0.01 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2wdz h VAL 115 CO -0.02 0.31 -1.16 0.78 0.02 0.00 0.00 177.57 177.50 2wdz h ASN 116 N -0.28 0.34 0.00 0.57 4.21 -1.24 -3.27 115.58 115.91 2wdz h ASN 116 Ca 0.01 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.17 2wdz h ASN 116 Cb 0.52 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2wdz h ASN 116 CO 0.01 1.26 -0.49 0.52 -1.29 0.00 0.00 177.43 177.45 2wdz n VAL 117 N -3.51 1.22 -0.20 2.81 0.31 -0.63 -4.31 118.33 114.02 2wdz n VAL 117 Ca -0.06 0.26 -0.07 0.00 -0.01 0.00 0.00 64.34 64.46 2wdz n VAL 117 Cb 0.99 -1.92 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 2wdz n VAL 117 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wdz h ASP 118 N -0.49 0.73 -0.76 4.52 3.32 -1.29 -1.12 116.42 121.34 2wdz h ASP 118 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2wdz h ASP 118 Cb 0.49 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2wdz h ASP 118 CO 0.00 0.66 0.44 1.23 -1.72 0.00 0.00 179.24 179.84 2wdz h GLY 119 N 0.76 1.11 0.58 2.75 0.00 -1.07 0.58 103.07 107.79 2wdz h GLY 119 Ca 0.19 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 47.11 2wdz h GLY 119 CO -0.02 0.47 0.29 1.98 0.00 0.00 0.00 176.54 179.25 2wdz h MET 120 N 1.04 0.51 -0.23 4.80 1.85 -1.57 -0.56 114.93 120.77 2wdz h MET 120 Ca 0.27 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.32 2wdz h MET 120 Cb -0.00 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.90 2wdz h MET 120 CO -0.05 0.34 0.11 0.35 -0.40 0.00 0.00 176.91 177.26 2wdz h PHE 121 N 0.53 0.34 -0.38 1.39 3.57 -0.33 -1.32 116.94 120.73 2wdz h PHE 121 Ca 0.28 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2wdz h PHE 121 Cb 0.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2wdz h PHE 121 CO -0.12 0.34 0.21 -1.49 -2.23 0.00 0.00 178.31 175.02 2wdz h TRP 122 N 0.24 0.52 -0.33 0.41 -0.00 -0.56 0.15 115.95 116.39 2wdz h TRP 122 Ca 0.08 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 2wdz h TRP 122 Cb 0.13 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.11 2wdz h TRP 122 CO -0.02 0.40 0.12 0.00 -0.00 0.00 0.00 178.44 178.94 2wdz h ALA 123 N 1.07 0.43 -0.20 1.49 0.00 -1.17 0.29 119.26 121.17 2wdz h ALA 123 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wdz h ALA 123 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wdz h ALA 123 CO -0.02 0.05 0.09 0.77 0.00 0.00 0.00 179.25 180.13 2wdz h SER 124 N 0.38 0.28 -0.46 0.00 0.02 -0.96 0.93 113.55 113.74 2wdz h SER 124 Ca 0.11 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2wdz h SER 124 Cb 0.22 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2wdz h SER 124 CO -0.01 0.36 0.26 -0.09 -1.14 0.00 0.00 176.83 176.21 2wdz h ARG 125 N 0.18 0.51 0.29 3.45 2.43 -0.65 0.22 114.38 120.82 2wdz h ARG 125 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2wdz h ARG 125 Cb 0.16 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wdz h ARG 125 CO -0.01 0.34 -0.14 0.00 -1.51 0.00 0.00 179.97 178.65 2wdz h ALA 126 N 1.21 -0.39 0.00 2.80 0.00 -0.13 -2.59 119.26 120.15 2wdz h ALA 126 Ca 0.19 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2wdz h ALA 126 Cb 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2wdz h ALA 126 CO -0.10 -0.61 -0.80 0.74 0.00 0.00 0.00 179.25 178.48 2wdz h PHE 127 N -0.61 0.00 -0.96 0.00 0.04 -0.87 -3.33 116.94 111.21 2wdz h PHE 127 Ca -0.04 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.74 2wdz h PHE 127 Cb 0.44 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.54 2wdz h PHE 127 CO -0.00 0.80 0.64 0.78 -0.60 0.00 0.00 178.31 179.93 2wdz h GLY 128 N 3.08 1.36 -0.91 -1.45 0.00 -0.59 -3.28 103.07 101.28 2wdz h GLY 128 Ca -0.01 -0.51 0.09 0.00 0.00 0.00 0.00 47.33 46.91 2wdz h GLY 128 CO 0.10 0.49 -0.50 -2.13 0.00 0.00 0.00 176.54 174.51 2wdz n ARG 129 N -4.39 -0.36 -0.13 4.80 0.63 -0.98 -1.21 116.66 115.02 2wdz n ARG 129 Ca 0.11 1.38 -0.09 0.00 -0.92 0.00 0.00 57.85 58.33 2wdz n ARG 129 Cb 0.02 -2.04 0.05 0.00 0.45 0.00 0.00 32.46 30.94 2wdz n ARG 129 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdz h ALA 130 N 0.62 0.81 -0.17 5.13 0.00 -1.80 -2.18 119.26 121.67 2wdz h ALA 130 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wdz h ALA 130 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wdz h ALA 130 CO -0.87 0.65 0.02 0.52 0.00 0.00 0.00 179.25 179.58 2wdz h MET 131 N 0.78 0.08 -0.39 0.00 2.86 -1.53 0.30 114.93 117.03 2wdz h MET 131 Ca 0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wdz h MET 131 Cb 0.73 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2wdz h MET 131 CO 0.06 0.06 0.19 0.28 1.06 0.00 0.00 176.91 178.55 2wdz h VAL 132 N 0.09 1.17 -0.57 -2.22 2.07 -1.13 -0.57 116.25 115.10 2wdz h VAL 132 Ca 0.08 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2wdz h VAL 132 Cb 0.08 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2wdz h VAL 132 CO -0.11 0.19 0.24 0.00 0.02 0.00 0.00 177.57 177.90 2wdz h ALA 133 N 1.04 0.73 0.00 1.67 0.00 -1.13 -0.76 119.26 120.80 2wdz h ALA 133 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wdz h ALA 133 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wdz h ALA 133 CO -0.02 -0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.62 2wdz n ARG 134 N -4.95 0.09 -1.39 0.00 1.74 0.07 -4.88 116.66 107.35 2wdz n ARG 134 Ca 0.07 0.19 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 2wdz n ARG 134 Cb 0.22 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 2wdz n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdz n GLY 135 N 0.15 1.32 3.03 -0.13 0.00 -0.29 -4.98 105.19 104.28 2wdz n GLY 135 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2wdz n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 136 N -2.16 -0.36 0.00 4.61 0.00 -0.39 -3.82 121.76 119.64 2wdz s ALA 136 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2wdz s ALA 136 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2wdz s ALA 136 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2wdz n GLY 137 N 2.97 0.93 3.11 0.00 0.00 -1.09 -4.49 105.19 106.62 2wdz n GLY 137 Ca -0.13 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 2wdz n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 138 N -2.00 -0.60 0.03 4.61 0.00 0.47 -1.76 121.76 122.51 2wdz s ALA 138 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.78 2wdz s ALA 138 Cb 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2wdz s ALA 138 CO 0.00 -0.14 -0.15 0.42 0.00 0.00 0.00 175.76 175.90 2wdz s ILE 139 N 0.41 1.16 -0.09 0.00 1.01 0.05 -0.85 121.20 122.90 2wdz s ILE 139 Ca -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 2wdz s ILE 139 Cb -0.04 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.43 2wdz s ILE 139 CO -0.02 0.09 0.02 -0.69 0.00 0.00 0.00 174.94 174.34 2wdz s VAL 140 N -0.74 0.30 -0.14 2.92 1.01 0.18 -2.55 120.40 121.38 2wdz s VAL 140 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2wdz s VAL 140 Cb -0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2wdz s VAL 140 CO 0.01 0.15 0.15 0.20 0.00 0.00 0.00 175.10 175.61 2wdz s ASN 141 N 1.99 6.36 -0.91 3.32 0.01 -0.29 -1.17 114.94 124.25 2wdz s ASN 141 Ca 0.04 0.42 -0.22 0.00 -0.71 0.00 0.00 52.86 52.39 2wdz s ASN 141 Cb -0.13 -2.08 0.07 0.00 0.41 0.00 0.00 41.25 39.52 2wdz s ASN 141 CO -0.06 0.34 1.27 -0.76 -1.51 0.00 0.00 177.10 176.38 2wdz s LEU 142 N -0.61 4.01 0.00 0.60 1.02 -0.57 -0.61 118.68 122.52 2wdz s LEU 142 Ca 0.13 -1.43 0.00 0.00 0.02 0.00 0.00 54.13 52.86 2wdz s LEU 142 Cb -0.12 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.59 2wdz s LEU 142 CO 0.03 -1.42 0.00 0.61 0.02 0.00 0.00 176.35 175.59 2wdz n GLY 143 N 6.09 -0.31 3.65 -3.19 0.00 0.15 -4.94 105.19 106.64 2wdz n GLY 143 Ca 0.22 -1.24 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 2wdz n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdz s SER 144 N -1.27 -0.01 0.42 1.61 0.15 -1.17 -4.46 113.70 108.98 2wdz s SER 144 Ca 0.00 0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.89 2wdz s SER 144 Cb 0.00 0.01 1.22 0.00 -1.71 0.00 0.00 66.02 65.54 2wdz s SER 144 CO 0.00 -0.01 1.74 0.00 1.20 0.00 0.00 173.24 176.18 2wdz h MET 145 N 2.27 0.28 0.00 5.44 -0.00 -1.35 0.10 114.93 121.66 2wdz h MET 145 Ca -0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2wdz h MET 145 Cb 1.19 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 2wdz h MET 145 CO 0.21 0.18 0.07 0.43 -0.00 0.00 0.00 176.91 177.80 2wdz n SER 146 N -4.60 0.37 0.02 -0.10 7.64 -1.26 -0.50 113.62 115.20 2wdz n SER 146 Ca 0.28 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.93 2wdz n SER 146 Cb 1.03 -0.67 0.42 0.00 -1.01 0.00 0.00 64.21 63.98 2wdz n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdz n GLY 147 N -1.33 -1.43 0.70 0.23 0.00 0.35 -4.42 105.19 99.28 2wdz n GLY 147 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2wdz n GLY 147 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdz n THR 148 N -1.66 0.54 -4.63 2.61 -1.04 0.35 -4.06 114.28 106.39 2wdz n THR 148 Ca 0.06 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 2wdz n THR 148 Cb 0.36 -1.63 -0.09 0.00 -1.82 0.00 0.00 70.33 67.15 2wdz n THR 148 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2wdz s ILE 149 N -2.18 1.07 -0.21 12.58 -5.25 0.08 -5.14 121.20 122.15 2wdz s ILE 149 Ca -0.14 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 57.47 2wdz s ILE 149 Cb 0.05 -2.40 -0.02 0.00 2.95 0.00 0.00 42.46 43.04 2wdz s ILE 149 CO 0.17 0.00 0.00 -0.69 -1.79 0.00 0.00 174.94 172.64 2wdz s VAL 150 N -3.02 3.91 0.89 8.37 1.01 -1.26 -4.02 120.40 126.29 2wdz s VAL 150 Ca 0.19 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 2wdz s VAL 150 Cb 0.04 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.71 2wdz s VAL 150 CO 0.10 0.41 0.81 0.59 0.00 0.00 0.00 175.10 177.01 2wdz n ASN 151 N 4.44 -0.63 -3.69 3.32 3.02 -1.26 -5.07 115.26 115.38 2wdz n ASN 151 Ca -0.17 0.43 -0.15 0.00 -0.03 0.00 0.00 54.58 54.67 2wdz n ASN 151 Cb 0.52 -1.35 -0.08 0.00 -0.61 0.00 0.00 39.78 38.26 2wdz n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdz s ARG 152 N -3.95 0.79 0.01 3.52 1.70 -1.26 -4.70 118.95 115.05 2wdz s ARG 152 Ca 0.64 -0.08 0.24 0.00 -0.47 0.00 0.00 55.73 56.07 2wdz s ARG 152 Cb -0.25 0.36 0.39 0.00 -0.57 0.00 0.00 34.95 34.88 2wdz s ARG 152 CO 0.60 -0.23 1.33 -0.35 -1.08 0.00 0.00 175.30 175.57 2wdz n PRO 153 N 1.14 0.04 -1.50 3.89 -0.04 -1.26 -4.54 135.00 132.73 2wdz n PRO 153 Ca -0.21 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 2wdz n PRO 153 Cb 0.56 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 2wdz n PRO 153 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2wdz s GLN 154 N -3.03 2.26 -0.07 0.54 0.00 -1.26 -5.05 119.66 113.05 2wdz s GLN 154 Ca 0.10 1.73 0.01 0.00 -0.00 0.00 0.00 55.36 57.20 2wdz s GLN 154 Cb 0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 33.01 31.30 2wdz s GLN 154 CO 0.73 -1.74 -0.09 -0.06 0.00 0.00 0.00 175.29 174.13 2wdz s PHE 155 N -1.98 2.88 -0.48 9.60 2.99 -1.26 -4.83 117.98 124.89 2wdz s PHE 155 Ca 0.74 -0.09 0.06 0.00 0.00 0.00 0.00 56.93 57.64 2wdz s PHE 155 Cb -0.29 -1.72 0.25 0.00 0.00 0.00 0.00 43.02 41.27 2wdz s PHE 155 CO 0.44 0.23 0.94 0.00 -0.00 0.00 0.00 175.22 176.83 2wdz n ALA 156 N 2.43 -1.43 -0.30 5.36 0.00 -1.24 -0.38 120.51 124.95 2wdz n ALA 156 Ca -0.18 -1.36 0.03 0.00 0.00 0.00 0.00 53.44 51.94 2wdz n ALA 156 Cb 0.53 -1.40 0.17 0.00 0.00 0.00 0.00 19.45 18.75 2wdz n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdz h SER 157 N 3.82 0.69 -0.95 0.00 4.64 -1.88 -0.92 113.55 118.96 2wdz h SER 157 Ca -0.15 0.05 0.15 0.00 -0.47 0.00 0.00 61.79 61.37 2wdz h SER 157 Cb 1.05 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.96 2wdz h SER 157 CO 0.28 0.39 0.57 0.77 -0.87 0.00 0.00 176.83 177.97 2wdz h SER 158 N 0.81 0.77 -0.31 4.97 4.64 -1.93 -0.60 113.55 121.90 2wdz h SER 158 Ca 0.41 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.75 2wdz h SER 158 Cb 0.37 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2wdz h SER 158 CO -0.25 0.35 0.02 0.22 -0.87 0.00 0.00 176.83 176.30 2wdz h TYR 159 N 0.82 0.59 -0.45 4.77 3.20 -1.49 0.14 116.97 124.55 2wdz h TYR 159 Ca 0.51 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.27 2wdz h TYR 159 Cb 0.65 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2wdz h TYR 159 CO -0.03 0.66 0.22 0.52 -1.64 0.00 0.00 178.16 177.88 2wdz h MET 160 N 0.35 0.65 -0.17 1.82 2.86 -1.10 -1.66 114.93 117.67 2wdz h MET 160 Ca 0.09 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2wdz h MET 160 Cb 0.41 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2wdz h MET 160 CO 0.01 0.55 0.06 0.00 1.06 0.00 0.00 176.91 178.60 2wdz h ALA 161 N 1.06 0.18 -0.41 6.32 0.00 -1.03 -1.11 119.26 124.28 2wdz h ALA 161 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wdz h ALA 161 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2wdz h ALA 161 CO -0.02 -0.38 0.18 0.66 0.00 0.00 0.00 179.25 179.70 2wdz h SER 162 N 0.14 0.51 0.32 0.00 4.64 -0.49 -2.04 113.55 116.63 2wdz h SER 162 Ca 0.07 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.09 2wdz h SER 162 Cb 0.04 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2wdz h SER 162 CO -0.07 0.45 -1.07 0.11 -0.87 0.00 0.00 176.83 175.38 2wdz h LYS 163 N 0.57 0.45 -0.74 4.77 1.79 -0.96 0.78 116.57 123.24 2wdz h LYS 163 Ca 0.14 -0.55 0.03 0.00 -2.18 0.00 0.00 60.65 58.09 2wdz h LYS 163 Cb 0.09 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 2wdz h LYS 163 CO -0.02 1.20 0.49 0.78 -1.08 0.00 0.00 179.45 180.82 2wdz h GLY 164 N 1.05 1.03 0.80 3.86 0.00 -1.03 -1.45 103.07 107.33 2wdz h GLY 164 Ca -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2wdz h GLY 164 CO 0.19 0.32 0.02 0.00 0.00 0.00 0.00 176.54 177.07 2wdz h ALA 165 N 1.56 0.11 -0.68 3.60 0.00 -1.22 -2.42 119.26 120.21 2wdz h ALA 165 Ca 0.29 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2wdz h ALA 165 Cb 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 2wdz h ALA 165 CO -0.08 -0.26 0.19 0.28 0.00 0.00 0.00 179.25 179.39 2wdz h VAL 166 N -0.08 0.62 -0.56 0.00 2.07 -0.44 0.96 116.25 118.82 2wdz h VAL 166 Ca 0.03 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 2wdz h VAL 166 Cb 0.26 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2wdz h VAL 166 CO 0.00 0.06 0.04 0.45 0.02 0.00 0.00 177.57 178.14 2wdz h HIS 167 N 0.32 1.03 -0.04 1.57 3.86 -1.18 -1.49 115.15 119.23 2wdz h HIS 167 Ca 0.37 -0.16 -0.17 0.00 -1.16 0.00 0.00 60.37 59.24 2wdz h HIS 167 Cb 0.57 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2wdz h HIS 167 CO -0.23 0.92 -0.74 1.96 0.86 0.00 0.00 177.93 180.71 2wdz h GLN 168 N 0.84 0.24 -0.36 2.45 1.08 -1.16 -2.83 115.11 115.37 2wdz h GLN 168 Ca 0.16 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2wdz h GLN 168 Cb 0.48 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 2wdz h GLN 168 CO 0.02 0.87 0.23 1.25 -0.95 0.00 0.00 178.83 180.26 2wdz h LEU 169 N 0.16 0.42 -0.66 1.46 6.46 -0.58 -1.05 115.31 121.52 2wdz h LEU 169 Ca -0.03 -0.02 0.14 0.00 -0.12 0.00 0.00 57.88 57.85 2wdz h LEU 169 Cb 1.30 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 41.02 2wdz h LEU 169 CO 0.11 0.31 0.06 0.74 -0.62 0.00 0.00 178.44 179.05 2wdz h THR 170 N 0.48 0.49 -0.09 1.05 2.02 -1.26 -0.87 112.91 114.73 2wdz h THR 170 Ca 0.13 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 67.02 2wdz h THR 170 Cb -0.04 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2wdz h THR 170 CO -0.03 0.03 -0.85 0.03 0.37 0.00 0.00 175.52 175.07 2wdz h ARG 171 N 0.17 0.70 -0.30 6.66 3.08 -1.29 0.66 114.38 124.05 2wdz h ARG 171 Ca 0.36 -0.63 0.03 0.00 0.07 0.00 0.00 59.98 59.81 2wdz h ARG 171 Cb 0.59 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2wdz h ARG 171 CO -0.53 1.23 0.12 0.00 -1.07 0.00 0.00 179.97 179.72 2wdz h ALA 172 N 0.58 0.35 -0.25 0.04 0.00 -0.92 0.45 119.26 119.51 2wdz h ALA 172 Ca -0.07 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2wdz h ALA 172 Cb 1.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2wdz h ALA 172 CO 0.17 -0.28 -0.60 -0.07 0.00 0.00 0.00 179.25 178.46 2wdz h LEU 173 N 0.25 0.93 -0.39 0.00 3.38 -1.14 -0.92 115.31 117.42 2wdz h LEU 173 Ca 0.13 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.65 2wdz h LEU 173 Cb 0.09 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 2wdz h LEU 173 CO -0.12 1.32 -0.03 0.00 0.09 0.00 0.00 178.44 179.70 2wdz h ALA 174 N 0.69 0.33 -0.35 1.53 0.00 -0.68 -1.66 119.26 119.12 2wdz h ALA 174 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wdz h ALA 174 Cb 1.21 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2wdz h ALA 174 CO 0.13 -0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.02 2wdz h ALA 175 N 1.36 0.46 -0.86 0.00 0.00 -0.66 -1.92 119.26 117.63 2wdz h ALA 175 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wdz h ALA 175 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2wdz h ALA 175 CO -0.34 0.18 0.45 1.49 0.00 0.00 0.00 179.25 181.02 2wdz h GLU 176 N 0.41 1.22 -0.06 0.00 4.81 -1.01 -3.25 114.58 116.70 2wdz h GLU 176 Ca 0.10 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2wdz h GLU 176 Cb 0.37 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2wdz h GLU 176 CO 0.01 0.91 0.00 0.91 -0.73 0.00 0.00 179.01 180.11 2wdz n TRP 177 N -4.33 0.06 -0.21 0.92 8.01 -0.64 -4.53 117.44 116.72 2wdz n TRP 177 Ca 0.09 -0.05 -0.08 0.00 -1.31 0.00 0.00 57.50 56.15 2wdz n TRP 177 Cb 0.12 -0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.44 2wdz n TRP 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2wdz h ALA 178 N 2.77 0.76 -0.60 6.99 0.00 -1.38 -0.57 119.26 127.23 2wdz h ALA 178 Ca 0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.89 2wdz h ALA 178 Cb 0.61 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wdz h ALA 178 CO 0.00 0.41 0.44 0.78 0.00 0.00 0.00 179.25 180.89 2wdz h GLY 179 N 0.82 0.00 -3.04 0.00 0.00 -1.80 -2.56 103.07 96.50 2wdz h GLY 179 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wdz h GLY 179 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.07 2wdz n ARG 180 N -4.28 4.08 -0.69 4.80 1.74 -0.26 -4.95 116.66 117.11 2wdz n ARG 180 Ca 0.11 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 2wdz n ARG 180 Cb 0.68 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2wdz n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdz n GLY 181 N 0.74 0.70 3.46 -0.13 0.00 -0.96 -3.67 105.19 105.33 2wdz n GLY 181 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 2wdz n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdz s VAL 182 N -2.31 4.19 -0.09 1.61 1.01 -0.97 -2.68 120.40 121.16 2wdz s VAL 182 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 2wdz s VAL 182 Cb 0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2wdz s VAL 182 CO 0.00 0.39 0.24 -0.13 0.00 0.00 0.00 175.10 175.60 2wdz s ARG 183 N 1.23 3.70 -0.14 2.72 0.52 -0.72 -3.92 118.95 122.34 2wdz s ARG 183 Ca 0.04 0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2wdz s ARG 183 Cb -0.15 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 32.13 2wdz s ARG 183 CO 0.02 0.68 -0.02 0.08 0.02 0.00 0.00 175.30 176.08 2wdz s VAL 184 N -0.85 0.80 0.19 3.52 1.01 -1.26 -0.77 120.40 123.04 2wdz s VAL 184 Ca 0.18 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2wdz s VAL 184 Cb -0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 2wdz s VAL 184 CO 0.07 0.13 0.01 0.20 0.00 0.00 0.00 175.10 175.51 2wdz s ASN 185 N 1.77 1.32 0.04 3.32 0.01 -1.06 0.72 114.94 121.07 2wdz s ASN 185 Ca 0.02 -1.20 0.07 0.00 -0.71 0.00 0.00 52.86 51.04 2wdz s ASN 185 Cb -0.14 0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.59 2wdz s ASN 185 CO -0.07 -0.57 -0.21 0.00 -1.51 0.00 0.00 177.10 174.74 2wdz s ALA 186 N -3.62 1.75 -0.01 0.60 0.00 -0.50 -1.14 121.76 118.84 2wdz s ALA 186 Ca 0.26 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 2wdz s ALA 186 Cb 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 2wdz s ALA 186 CO 0.06 0.39 0.45 -0.51 0.00 0.00 0.00 175.76 176.15 2wdz s LEU 187 N -1.13 4.44 -0.89 0.00 1.43 0.22 -0.14 118.68 122.61 2wdz s LEU 187 Ca 0.07 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2wdz s LEU 187 Cb -0.09 -2.66 0.23 0.00 0.03 0.00 0.00 46.19 43.70 2wdz s LEU 187 CO 0.02 0.25 0.85 0.00 0.23 0.00 0.00 176.35 177.69 2wdz n ALA 188 N 2.19 3.96 -1.63 4.21 0.00 0.14 0.31 120.51 129.68 2wdz n ALA 188 Ca -0.12 -4.64 -0.35 0.00 0.00 0.00 0.00 53.44 48.33 2wdz n ALA 188 Cb 0.52 -1.67 0.05 0.00 0.00 0.00 0.00 19.45 18.35 2wdz n ALA 188 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wdz s PRO 189 N -1.64 2.72 0.00 0.00 0.02 -1.26 -2.07 135.00 132.77 2wdz s PRO 189 Ca 0.29 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.11 2wdz s PRO 189 Cb -0.03 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2wdz s PRO 189 CO -0.09 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.59 2wdz n GLY 190 N 0.43 0.28 3.72 0.52 0.00 -0.32 -1.54 105.19 108.28 2wdz n GLY 190 Ca 0.14 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2wdz n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdz s TYR 191 N 0.41 2.98 -0.03 1.61 2.02 -1.26 -4.91 117.35 118.16 2wdz s TYR 191 Ca 0.00 0.49 0.05 0.00 -0.37 0.00 0.00 57.07 57.23 2wdz s TYR 191 Cb 0.00 -4.03 -0.01 0.00 -0.40 0.00 0.00 41.96 37.52 2wdz s TYR 191 CO 0.00 -3.86 -0.17 0.08 -1.57 0.00 0.00 175.55 170.03 2wdz s VAL 192 N 1.17 1.40 -0.87 0.71 1.01 -1.26 -0.89 120.40 121.68 2wdz s VAL 192 Ca 0.72 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 2wdz s VAL 192 Cb -0.47 -1.19 -0.14 0.00 0.00 0.00 0.00 36.38 34.58 2wdz s VAL 192 CO 0.32 0.40 1.94 0.00 0.00 0.00 0.00 175.10 177.76 2wdz n ALA 193 N 2.97 3.24 -2.29 5.51 0.00 0.11 -4.72 120.51 125.33 2wdz n ALA 193 Ca -0.17 -3.32 -0.16 0.00 0.00 0.00 0.00 53.44 49.80 2wdz n ALA 193 Cb 0.53 -3.61 -0.10 0.00 0.00 0.00 0.00 19.45 16.27 2wdz n ALA 193 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wdz s THR 194 N 5.67 1.02 0.07 0.00 -4.23 -1.26 -4.63 115.64 112.26 2wdz s THR 194 Ca 0.58 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2wdz s THR 194 Cb 0.12 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.83 2wdz s THR 194 CO 0.11 -0.47 0.53 -1.84 -0.54 0.00 0.00 174.62 172.41 2wdz n GLU 195 N -0.32 -0.12 -0.14 3.99 0.00 -1.26 -1.28 120.64 121.50 2wdz n GLU 195 Ca -0.07 0.52 0.24 0.00 0.00 0.00 0.00 57.16 57.85 2wdz n GLU 195 Cb 0.63 -0.77 0.66 0.00 0.00 0.00 0.00 31.44 31.96 2wdz n GLU 195 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2wdz h MET 196 N 0.00 0.10 -0.23 3.44 1.85 -1.98 -2.66 114.93 115.45 2wdz h MET 196 Ca 0.08 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 2wdz h MET 196 Cb 0.17 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.18 2wdz h MET 196 CO -0.33 0.07 0.00 0.25 -0.40 0.00 0.00 176.91 176.50 2wdz n THR 197 N -4.36 0.61 0.40 -0.77 -2.24 -0.41 -4.78 114.28 102.74 2wdz n THR 197 Ca 0.16 -0.80 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 2wdz n THR 197 Cb 0.79 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 2wdz n THR 197 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wdz h LEU 198 N 2.20 -0.89 -0.96 3.22 5.85 -1.16 -0.20 115.31 123.37 2wdz h LEU 198 Ca 0.00 0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.97 2wdz h LEU 198 Cb 0.64 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.79 2wdz h LEU 198 CO 0.00 -0.54 0.53 0.11 -0.34 0.00 0.00 178.44 178.20 2wdz h LYS 199 N -1.25 0.56 -0.31 1.25 1.57 -1.86 -2.45 116.57 114.08 2wdz h LYS 199 Ca -0.11 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 2wdz h LYS 199 Cb 0.81 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2wdz h LYS 199 CO 0.18 0.37 -0.30 0.52 -0.57 0.00 0.00 179.45 179.65 2wdz h MET 200 N 0.57 0.74 0.00 3.15 2.86 -1.86 -3.22 114.93 117.18 2wdz h MET 200 Ca 0.59 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2wdz h MET 200 Cb 1.07 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2wdz h MET 200 CO -0.46 1.01 0.00 0.00 1.06 0.00 0.00 176.91 178.52 2wdz h ARG 201 N 0.50 0.00 0.00 1.72 3.08 -0.55 -1.22 114.38 117.92 2wdz h ARG 201 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wdz h ARG 201 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2wdz h ARG 201 CO 0.07 0.00 -0.60 0.39 -1.07 0.00 0.00 179.97 178.77 2wdz n GLU 202 N -2.57 0.13 -2.73 0.04 1.02 -1.11 -4.74 120.64 110.66 2wdz n GLU 202 Ca 0.00 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 2wdz n GLU 202 Cb 0.20 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 2wdz n GLU 202 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wdz s ARG 203 N -3.08 3.85 0.12 3.49 0.52 -0.46 -4.97 118.95 118.42 2wdz s ARG 203 Ca 0.09 0.66 -0.33 0.00 -0.52 0.00 0.00 55.73 55.63 2wdz s ARG 203 Cb 0.16 -3.82 -0.11 0.00 0.52 0.00 0.00 34.95 31.70 2wdz s ARG 203 CO 0.72 -1.04 1.56 -1.35 0.02 0.00 0.00 175.30 175.21 2wdz h PRO 204 N 8.57 -0.55 0.00 3.54 0.11 -1.87 -2.63 132.00 139.15 2wdz h PRO 204 Ca -0.23 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wdz h PRO 204 Cb 1.07 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wdz h PRO 204 CO 1.02 -0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 2wdz n GLU 205 N -5.44 0.24 -0.05 1.05 0.00 -1.26 -2.83 120.64 112.34 2wdz n GLU 205 Ca -0.06 0.09 -0.07 0.00 0.00 0.00 0.00 57.16 57.12 2wdz n GLU 205 Cb 0.38 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.30 2wdz n GLU 205 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2wdz n LEU 206 N -1.13 1.73 -0.32 -1.84 4.32 -1.02 -4.54 117.00 114.20 2wdz n LEU 206 Ca 0.06 0.28 0.08 0.00 -0.02 0.00 0.00 56.01 56.41 2wdz n LEU 206 Cb 0.05 -0.64 0.28 0.00 -1.62 0.00 0.00 43.42 41.50 2wdz n LEU 206 CO 0.07 -0.39 1.23 0.15 -1.22 0.00 0.00 177.39 177.23 2wdz h PHE 207 N -0.74 1.03 -0.24 -1.77 3.57 -1.42 -1.53 116.94 115.84 2wdz h PHE 207 Ca -0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2wdz h PHE 207 Cb 0.74 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2wdz h PHE 207 CO -0.32 0.43 -0.32 0.93 -2.23 0.00 0.00 178.31 176.80 2wdz h GLU 208 N 0.92 0.50 -0.37 1.11 5.08 -1.80 -2.33 114.58 117.69 2wdz h GLU 208 Ca 0.46 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 2wdz h GLU 208 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2wdz h GLU 208 CO -0.22 0.76 -0.32 1.15 -1.00 0.00 0.00 179.01 179.39 2wdz h THR 209 N 0.43 1.28 0.12 1.13 2.02 -1.60 -1.92 112.91 114.36 2wdz h THR 209 Ca 0.05 -1.48 0.02 0.00 0.77 0.00 0.00 66.41 65.77 2wdz h THR 209 Cb 0.78 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 2wdz h THR 209 CO 0.06 0.49 -0.33 -0.50 0.37 0.00 0.00 175.52 175.61 2wdz h TRP 210 N 0.69 -0.91 -0.27 3.16 4.06 -1.21 -1.52 115.95 119.95 2wdz h TRP 210 Ca 0.07 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.97 2wdz h TRP 210 Cb 0.87 0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 29.40 2wdz h TRP 210 CO 0.05 -0.44 -0.17 -0.07 -3.56 0.00 0.00 178.44 174.25 2wdz h LEU 211 N -0.56 0.46 -1.14 -4.49 3.38 -1.46 -2.32 115.31 109.18 2wdz h LEU 211 Ca 0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2wdz h LEU 211 Cb 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2wdz h LEU 211 CO -0.19 0.65 -0.19 -0.78 0.09 0.00 0.00 178.44 178.02 2wdz h ASP 212 N 0.43 0.37 0.45 -0.43 3.58 -1.17 -3.04 116.42 116.59 2wdz h ASP 212 Ca 0.07 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2wdz h ASP 212 Cb 0.55 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2wdz h ASP 212 CO 0.04 0.58 -0.23 0.23 -2.88 0.00 0.00 179.24 176.97 2wdz n MET 213 N -4.18 0.47 -3.66 0.28 2.81 -0.59 -4.79 117.12 107.45 2wdz n MET 213 Ca -0.00 -0.21 -0.39 0.00 -1.81 0.00 0.00 57.70 55.29 2wdz n MET 213 Cb 0.34 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.24 2wdz n MET 213 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wdz s THR 214 N -2.68 4.35 0.42 2.03 2.01 -1.01 -4.61 115.64 116.15 2wdz s THR 214 Ca 0.21 -0.78 0.20 0.00 0.31 0.00 0.00 61.69 61.63 2wdz s THR 214 Cb 0.19 -3.36 0.41 0.00 0.01 0.00 0.00 72.50 69.75 2wdz s THR 214 CO 0.55 -0.11 1.79 -0.65 -0.69 0.00 0.00 174.62 175.51 2wdz h PRO 215 N 8.35 0.34 0.00 4.92 0.11 -1.79 0.35 132.00 144.28 2wdz h PRO 215 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wdz h PRO 215 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2wdz h PRO 215 CO 0.64 0.22 0.00 -1.33 -0.21 0.00 0.00 178.00 177.32 2wdz n MET 216 N -4.55 0.15 -1.74 1.05 2.81 -0.98 -4.90 117.12 108.97 2wdz n MET 216 Ca 0.24 0.22 -0.07 0.00 -1.81 0.00 0.00 57.70 56.27 2wdz n MET 216 Cb 0.88 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.66 2wdz n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdz n GLY 217 N 0.91 0.44 3.48 3.03 0.00 0.11 -4.99 105.19 108.17 2wdz n GLY 217 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 2wdz n GLY 217 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wdz s ARG 218 N -3.60 1.13 0.59 1.61 1.70 -1.26 -4.95 118.95 114.16 2wdz s ARG 218 Ca 0.00 -0.11 -0.18 0.00 -0.47 0.00 0.00 55.73 54.98 2wdz s ARG 218 Cb 0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2wdz s ARG 218 CO 0.00 -0.43 1.12 0.00 -1.08 0.00 0.00 175.30 174.91 2wdz s GLY 220 N -2.07 2.54 0.23 0.00 0.00 -0.07 -4.87 107.32 103.09 2wdz s GLY 220 Ca 0.71 0.60 -0.14 0.00 0.00 0.00 0.00 44.72 45.89 2wdz s GLY 220 CO 0.32 0.94 0.63 -0.54 0.00 0.00 0.00 173.10 174.45 2wdz s GLU 221 N -3.08 3.98 0.40 2.90 0.41 -1.26 -0.71 118.70 121.33 2wdz s GLU 221 Ca 0.65 0.54 0.15 0.00 -0.41 0.00 0.00 54.97 55.90 2wdz s GLU 221 Cb -0.17 -2.70 1.01 0.00 -1.78 0.00 0.00 34.13 30.50 2wdz s GLU 221 CO 0.21 0.33 1.84 -1.35 -0.49 0.00 0.00 175.26 175.79 2wdz h PRO 222 N 2.86 0.47 0.00 0.39 0.11 -1.95 -1.24 132.00 132.64 2wdz h PRO 222 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2wdz h PRO 222 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wdz h PRO 222 CO 0.67 0.31 -0.09 0.66 -0.21 0.00 0.00 178.00 179.34 2wdz h SER 223 N 0.48 0.00 1.43 -2.05 4.64 -1.94 0.21 113.55 116.33 2wdz h SER 223 Ca 0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.78 2wdz h SER 223 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2wdz h SER 223 CO -0.22 0.09 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.36 2wdz h GLU 224 N 0.00 0.00 0.10 4.77 5.08 -1.62 -1.51 114.58 121.40 2wdz h GLU 224 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2wdz h GLU 224 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2wdz h GLU 224 CO 0.01 0.14 -1.38 0.82 -1.00 0.00 0.00 179.01 177.60 2wdz h ILE 225 N 0.00 1.02 -0.75 3.13 1.08 -1.14 -3.34 117.51 117.51 2wdz h ILE 225 Ca -0.00 -2.37 0.04 0.00 -0.39 0.00 0.00 64.86 62.14 2wdz h ILE 225 Cb 0.89 2.67 -0.05 0.00 -3.07 0.00 0.00 36.82 37.26 2wdz h ILE 225 CO 0.02 0.67 0.46 0.00 -0.69 0.00 0.00 178.15 178.61 2wdz h ALA 226 N -0.09 1.00 -0.57 1.87 0.00 -0.87 -2.02 119.26 118.58 2wdz h ALA 226 Ca -0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2wdz h ALA 226 Cb 1.70 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2wdz h ALA 226 CO 0.03 0.23 0.30 0.00 0.00 0.00 0.00 179.25 179.80 2wdz h ALA 227 N 1.34 1.46 -0.13 0.00 0.00 -1.44 0.96 119.26 121.45 2wdz h ALA 227 Ca 0.31 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2wdz h ALA 227 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wdz h ALA 227 CO -0.13 0.44 -0.25 0.00 0.00 0.00 0.00 179.25 179.31 2wdz h ALA 228 N 1.54 0.20 -0.76 0.00 0.00 -1.60 -1.11 119.26 117.54 2wdz h ALA 228 Ca 0.20 -0.39 0.16 0.00 0.00 0.00 0.00 54.91 54.88 2wdz h ALA 228 Cb 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 2wdz h ALA 228 CO -0.03 0.18 0.23 0.00 0.00 0.00 0.00 179.25 179.64 2wdz h ALA 229 N 0.54 1.03 -0.52 0.00 0.00 -1.17 -0.71 119.26 118.44 2wdz h ALA 229 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2wdz h ALA 229 Cb 0.84 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2wdz h ALA 229 CO 0.06 -0.31 -0.13 1.25 0.00 0.00 0.00 179.25 180.12 2wdz h LEU 230 N 0.33 1.01 0.10 0.00 5.85 -0.56 -0.37 115.31 121.66 2wdz h LEU 230 Ca 0.43 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2wdz h LEU 230 Cb 0.73 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2wdz h LEU 230 CO -0.49 1.13 -0.21 0.15 -0.34 0.00 0.00 178.44 178.69 2wdz h PHE 231 N 0.86 -0.55 -0.80 1.25 3.57 -0.73 -1.93 116.94 118.61 2wdz h PHE 231 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2wdz h PHE 231 Cb 0.70 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2wdz h PHE 231 CO 0.05 -0.30 0.50 -0.07 -2.23 0.00 0.00 178.31 176.26 2wdz h LEU 232 N -0.39 0.94 -0.69 0.59 3.38 -0.90 -2.76 115.31 115.49 2wdz h LEU 232 Ca 0.03 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2wdz h LEU 232 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2wdz h LEU 232 CO -0.13 0.71 -0.36 0.00 0.09 0.00 0.00 178.44 178.75 2wdz h ALA 233 N 1.46 0.90 -2.45 1.53 0.00 -0.99 -3.44 119.26 116.27 2wdz h ALA 233 Ca 0.29 -0.33 -0.47 0.00 0.00 0.00 0.00 54.91 54.40 2wdz h ALA 233 Cb -0.08 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 17.74 2wdz h ALA 233 CO -0.06 0.45 0.33 -1.54 0.00 0.00 0.00 179.25 178.43 2wdz s SER 234 N -6.36 5.03 0.39 0.00 1.04 -0.73 -4.86 113.70 108.21 2wdz s SER 234 Ca 0.02 0.80 0.27 0.00 0.48 0.00 0.00 55.95 57.52 2wdz s SER 234 Cb 0.10 -1.50 1.38 0.00 0.10 0.00 0.00 66.02 66.10 2wdz s SER 234 CO 0.69 -1.53 1.83 -0.65 0.98 0.00 0.00 173.24 174.55 2wdz h PRO 235 N -0.69 0.00 -0.08 4.02 0.11 -1.79 -2.71 132.00 130.85 2wdz h PRO 235 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2wdz h PRO 235 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wdz h PRO 235 CO 0.63 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.48 2wdz h ALA 236 N 2.06 2.00 -0.89 -0.75 0.00 -1.73 -1.44 119.26 118.50 2wdz h ALA 236 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 2wdz h ALA 236 Cb 0.12 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.63 2wdz h ALA 236 CO 0.00 -0.01 0.55 0.00 0.00 0.00 0.00 179.25 179.79 2wdz n ALA 237 N -2.54 5.22 0.32 0.00 0.00 -1.02 -4.62 120.51 117.86 2wdz n ALA 237 Ca -0.02 -2.59 0.20 0.00 0.00 0.00 0.00 53.44 51.03 2wdz n ALA 237 Cb 0.12 -1.39 1.06 0.00 0.00 0.00 0.00 19.45 19.24 2wdz n ALA 237 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdz h SER 238 N 1.24 0.00 -0.39 0.00 4.64 -1.42 -0.25 113.55 117.36 2wdz h SER 238 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2wdz h SER 238 Cb 2.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.74 2wdz h SER 238 CO 0.97 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.93 2wdz n TYR 239 N -2.94 0.65 -3.62 4.77 9.36 -1.26 -4.90 117.16 119.22 2wdz n TYR 239 Ca -0.03 -0.56 -0.39 0.00 3.32 0.00 0.00 57.90 60.24 2wdz n TYR 239 Cb 0.15 -0.08 -0.11 0.00 -0.63 0.00 0.00 39.34 38.66 2wdz n TYR 239 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wdz s VAL 240 N -1.33 4.72 -0.01 2.97 1.01 -0.11 -5.06 120.40 122.60 2wdz s VAL 240 Ca 0.30 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2wdz s VAL 240 Cb 0.18 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2wdz s VAL 240 CO 0.17 -0.01 0.11 0.28 0.00 0.00 0.00 175.10 175.66 2wdz s THR 241 N 1.62 0.07 -1.51 3.92 -1.32 -1.26 -4.73 115.64 112.43 2wdz s THR 241 Ca 0.04 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 2wdz s THR 241 Cb -0.17 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 2wdz s THR 241 CO 0.07 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 2wdz n GLY 242 N 1.86 1.44 3.87 6.08 0.00 0.22 -4.97 105.19 113.69 2wdz n GLY 242 Ca -0.20 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2wdz n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 243 N -2.43 3.35 -0.28 4.61 0.00 -1.26 -4.77 121.76 120.97 2wdz s ALA 243 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2wdz s ALA 243 Cb 0.00 -2.71 0.06 0.00 0.00 0.00 0.00 23.12 20.47 2wdz s ALA 243 CO 0.00 0.10 -0.05 0.42 0.00 0.00 0.00 175.76 176.23 2wdz s ILE 244 N -2.25 2.56 -0.47 0.00 -1.09 -1.26 -1.41 121.20 117.29 2wdz s ILE 244 Ca 0.52 -1.54 -0.17 0.00 -2.23 0.00 0.00 60.65 57.23 2wdz s ILE 244 Cb -0.10 -2.50 0.06 0.00 -1.58 0.00 0.00 42.46 38.33 2wdz s ILE 244 CO 0.27 -0.08 0.47 -0.22 -1.23 0.00 0.00 174.94 174.15 2wdz s LEU 245 N 1.17 5.27 -0.06 2.97 2.96 0.80 -4.86 118.68 126.93 2wdz s LEU 245 Ca -0.07 -1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 2wdz s LEU 245 Cb -0.20 -2.30 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 2wdz s LEU 245 CO -0.03 -0.70 1.73 0.00 -1.32 0.00 0.00 176.35 176.02 2wdz s ALA 246 N 2.03 3.54 -0.52 5.97 0.00 -1.26 0.23 121.76 131.76 2wdz s ALA 246 Ca 0.09 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.05 2wdz s ALA 246 Cb -0.21 -3.79 0.20 0.00 0.00 0.00 0.00 23.12 19.32 2wdz s ALA 246 CO 0.10 -1.54 0.48 0.28 0.00 0.00 0.00 175.76 175.08 2wdz n VAL 247 N 5.67 0.16 -1.04 0.00 0.31 -0.88 -4.93 118.33 117.62 2wdz n VAL 247 Ca 0.18 -4.19 0.00 0.00 -0.01 0.00 0.00 64.34 60.33 2wdz n VAL 247 Cb 0.43 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 2wdz n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wdz n ASP 248 N 2.01 0.13 -1.27 4.52 5.68 -1.26 -1.17 116.55 125.19 2wdz n ASP 248 Ca 0.25 -1.16 -0.17 0.00 -0.50 0.00 0.00 54.79 53.21 2wdz n ASP 248 Cb 0.45 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 2wdz n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wdz n GLY 249 N -0.04 1.65 0.96 6.12 0.00 -1.26 -1.99 105.19 110.62 2wdz n GLY 249 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2wdz n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdz n GLY 250 N -0.75 0.76 0.24 -0.02 0.00 -1.26 -2.31 105.19 101.85 2wdz n GLY 250 Ca -0.17 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2wdz n GLY 250 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wdz h TYR 251 N 0.00 0.18 0.00 1.61 3.20 -1.66 -1.75 116.97 118.55 2wdz h TYR 251 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wdz h TYR 251 Cb 0.00 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2wdz h TYR 251 CO 0.00 -0.06 0.00 0.25 -1.64 0.00 0.00 178.16 176.71 2wdz n THR 252 N -5.15 0.07 0.10 1.81 -2.24 -1.26 -3.49 114.28 104.10 2wdz n THR 252 Ca 0.10 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 2wdz n THR 252 Cb 0.35 -0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 67.85 2wdz n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wdz h VAL 253 N 0.00 1.28 -0.01 2.28 2.07 -1.72 -3.52 116.25 116.64 2wdz h VAL 253 Ca 0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2wdz h VAL 253 Cb 0.09 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2wdz h VAL 253 CO 0.00 0.76 0.00 0.79 0.02 0.00 0.00 177.57 179.14