#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s LYS 2 N 0.00 4.25 -0.02 2.12 -0.14 -1.26 0.36 119.74 125.04 2wdl s LYS 2 Ca 0.00 2.15 -0.00 0.00 -1.36 0.00 0.00 55.97 56.76 2wdl s LYS 2 Cb 0.00 -3.51 0.03 0.00 -1.68 0.00 0.00 37.83 32.67 2wdl s LYS 2 CO 0.00 -0.62 0.03 0.08 -0.76 0.00 0.00 175.35 174.08 2wdl s VAL 3 N 2.25 -0.03 -0.24 3.17 1.01 0.71 -1.82 120.40 125.46 2wdl s VAL 3 Ca 0.68 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 2wdl s VAL 3 Cb -0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2wdl s VAL 3 CO 0.30 0.11 0.70 -0.63 0.00 0.00 0.00 175.10 175.58 2wdl s ILE 4 N 1.24 4.94 0.09 2.22 1.01 -0.80 -1.75 121.20 128.14 2wdl s ILE 4 Ca -0.07 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.87 2wdl s ILE 4 Cb -0.13 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2wdl s ILE 4 CO -0.03 0.01 0.09 0.18 0.00 0.00 0.00 174.94 175.19 2wdl n LEU 5 N 5.66 0.00 0.00 2.97 4.77 -0.88 -1.28 117.00 128.23 2wdl n LEU 5 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wdl n LEU 5 Cb 0.49 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wdl n LEU 5 CO 0.45 -0.96 0.00 0.18 -1.33 0.00 0.00 177.39 175.73 2wdl n LEU 6 N 0.00 0.00 -4.37 2.23 4.77 -1.19 -3.55 117.00 114.88 2wdl n LEU 6 Ca 0.01 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.48 2wdl n LEU 6 Cb 0.05 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2wdl n LEU 6 CO 0.03 0.00 1.94 1.21 -1.33 0.00 0.00 177.39 179.24 2wdl n GLU 7 N 0.00 0.10 -1.40 3.23 4.07 -1.26 -2.33 120.64 123.05 2wdl n GLU 7 Ca 0.00 0.02 -0.38 0.00 -0.06 0.00 0.00 57.16 56.74 2wdl n GLU 7 Cb 0.00 -1.61 0.03 0.00 -0.06 0.00 0.00 31.44 29.80 2wdl n GLU 7 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wdl n PRO 8 N 7.98 0.36 -4.46 5.31 -0.04 -1.26 -4.82 135.00 138.06 2wdl n PRO 8 Ca 0.58 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.96 2wdl n PRO 8 Cb 0.02 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 2wdl n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdl s LEU 9 N 1.99 2.06 0.12 1.53 1.43 -1.09 -4.73 118.68 119.99 2wdl s LEU 9 Ca 0.65 -1.47 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 2wdl s LEU 9 Cb -0.46 -0.26 -0.08 0.00 0.03 0.00 0.00 46.19 45.42 2wdl s LEU 9 CO 0.58 -0.72 1.45 -0.70 0.23 0.00 0.00 176.35 177.18 2wdl s GLU 10 N -3.85 4.29 0.00 1.70 -6.30 -1.26 -2.26 118.70 111.01 2wdl s GLU 10 Ca 0.32 2.15 0.00 0.00 -2.50 0.00 0.00 54.97 54.95 2wdl s GLU 10 Cb 0.07 -3.26 0.00 0.00 0.00 0.00 0.00 34.13 30.94 2wdl s GLU 10 CO 0.15 -0.50 0.00 -1.71 0.02 0.00 0.00 175.26 173.22 2wdl n ASN 11 N 4.11 0.00 -4.03 -1.70 5.15 -1.26 -4.64 115.26 112.90 2wdl n ASN 11 Ca 0.12 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.77 2wdl n ASN 11 Cb 0.41 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.55 2wdl n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2wdl s LEU 12 N 0.00 4.91 0.00 1.20 2.34 -1.23 -5.06 118.68 120.84 2wdl s LEU 12 Ca 0.00 -3.10 0.00 0.00 0.06 0.00 0.00 54.13 51.09 2wdl s LEU 12 Cb 0.00 -1.77 0.00 0.00 -0.56 0.00 0.00 46.19 43.86 2wdl s LEU 12 CO 0.00 -0.28 0.00 0.61 -1.06 0.00 0.00 176.35 175.62 2wdl n GLY 13 N 3.09 6.06 2.49 -3.48 0.00 -0.96 -2.68 105.19 109.71 2wdl n GLY 13 Ca 0.09 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 2wdl n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdl n ASP 14 N 0.00 -0.86 -3.58 1.61 8.00 -1.26 -4.60 116.55 115.86 2wdl n ASP 14 Ca 0.00 1.27 -0.32 0.00 0.71 0.00 0.00 54.79 56.45 2wdl n ASP 14 Cb 0.00 -4.94 0.04 0.00 -0.02 0.00 0.00 41.12 36.20 2wdl n ASP 14 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2wdl n VAL 15 N 1.59 0.00 0.00 2.53 3.14 -0.98 -1.74 118.33 122.86 2wdl n VAL 15 Ca -0.38 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.58 2wdl n VAL 15 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 2wdl n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wdl n GLY 16 N 3.14 1.89 3.67 7.55 0.00 -1.23 -4.88 105.19 115.32 2wdl n GLY 16 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wdl n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdl s GLN 17 N 0.00 4.15 -0.91 1.61 0.74 -0.71 -4.54 119.66 119.99 2wdl s GLN 17 Ca 0.00 2.57 -0.16 0.00 0.05 0.00 0.00 55.36 57.81 2wdl s GLN 17 Cb 0.00 -4.01 0.17 0.00 1.10 0.00 0.00 33.01 30.27 2wdl s GLN 17 CO 0.00 -0.92 1.01 0.08 -0.55 0.00 0.00 175.29 174.91 2wdl s VAL 18 N 4.01 5.14 0.23 1.34 1.01 -1.26 -2.08 120.40 128.79 2wdl s VAL 18 Ca 0.85 -2.06 0.05 0.00 0.00 0.00 0.00 61.98 60.82 2wdl s VAL 18 Cb -0.42 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.26 2wdl s VAL 18 CO 0.39 -1.32 0.33 0.54 0.00 0.00 0.00 175.10 175.05 2wdl s VAL 19 N 1.48 5.19 -0.19 2.92 0.11 -0.72 -4.76 120.40 124.42 2wdl s VAL 19 Ca 0.27 -0.98 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 2wdl s VAL 19 Cb -0.07 -3.80 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2wdl s VAL 19 CO -0.09 -0.29 0.03 1.51 -3.33 0.00 0.00 175.10 172.93 2wdl s ASP 20 N -3.85 5.22 0.25 3.54 3.84 -1.26 -0.20 116.67 124.21 2wdl s ASP 20 Ca 0.34 -0.07 0.05 0.00 -0.00 0.00 0.00 52.55 52.87 2wdl s ASP 20 Cb -0.09 -1.89 -0.05 0.00 -1.38 0.00 0.00 42.92 39.50 2wdl s ASP 20 CO 0.28 0.11 -0.03 0.68 -0.00 0.00 0.00 175.17 176.21 2wdl s VAL 21 N 0.74 1.29 0.23 2.11 -7.23 0.16 -4.60 120.40 113.09 2wdl s VAL 21 Ca 0.02 -2.07 -0.32 0.00 -1.81 0.00 0.00 61.98 57.80 2wdl s VAL 21 Cb -0.14 -2.36 -0.13 0.00 0.56 0.00 0.00 36.38 34.32 2wdl s VAL 21 CO 0.02 -0.34 1.52 1.17 -0.31 0.00 0.00 175.10 177.16 2wdl n LYS 22 N -0.47 2.28 -0.24 4.82 3.00 -1.26 0.14 118.16 126.42 2wdl n LYS 22 Ca -0.06 0.82 -0.02 0.00 -0.00 0.00 0.00 58.31 59.05 2wdl n LYS 22 Cb 0.63 -2.54 0.04 0.00 0.00 0.00 0.00 35.03 33.16 2wdl n LYS 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wdl h PRO 23 N 4.95 -0.08 -0.86 1.64 0.11 -1.99 0.11 132.00 135.87 2wdl h PRO 23 Ca -0.45 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.82 2wdl h PRO 23 Cb 1.25 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 2wdl h PRO 23 CO 0.81 -0.05 0.43 0.78 -0.21 0.00 0.00 178.00 179.76 2wdl h GLY 24 N -0.09 1.42 0.92 -0.55 0.00 -1.99 -1.45 103.07 101.34 2wdl h GLY 24 Ca 0.29 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.41 2wdl h GLY 24 CO -0.75 -0.08 0.55 -1.82 0.00 0.00 0.00 176.54 174.45 2wdl h TYR 25 N 0.58 1.04 0.02 5.60 -0.00 -1.14 -2.62 116.97 120.46 2wdl h TYR 25 Ca 0.48 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 59.24 2wdl h TYR 25 Cb 0.74 -0.35 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 2wdl h TYR 25 CO -0.10 0.62 -0.01 0.00 -0.00 0.00 0.00 178.16 178.67 2wdl h ALA 26 N 1.34 -0.39 -0.31 1.82 0.00 -1.02 -1.98 119.26 118.73 2wdl h ALA 26 Ca 0.33 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.32 2wdl h ALA 26 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wdl h ALA 26 CO -0.10 -0.39 0.81 0.00 0.00 0.00 0.00 179.25 179.57 2wdl h ARG 27 N -0.07 0.00 0.00 0.00 3.08 -1.39 -2.36 114.38 113.64 2wdl h ARG 27 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdl h ARG 27 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2wdl h ARG 27 CO 0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.00 2wdl n ASN 28 N -2.95 0.05 0.08 7.04 3.02 -0.99 -4.57 115.26 116.94 2wdl n ASN 28 Ca 0.06 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2wdl n ASN 28 Cb 0.92 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 41.00 2wdl n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdl n TYR 29 N -0.91 -0.82 0.00 3.10 9.36 -0.76 -4.77 117.16 122.37 2wdl n TYR 29 Ca 0.00 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.36 2wdl n TYR 29 Cb 0.00 0.20 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 2wdl n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wdl n LEU 30 N -3.44 0.25 -0.28 2.98 4.77 -1.13 -1.62 117.00 118.53 2wdl n LEU 30 Ca 0.00 0.66 0.05 0.00 -0.03 0.00 0.00 56.01 56.69 2wdl n LEU 30 Cb 0.03 -0.42 0.15 0.00 -2.33 0.00 0.00 43.42 40.85 2wdl n LEU 30 CO 0.00 -0.42 0.77 -0.07 -1.33 0.00 0.00 177.39 176.34 2wdl h LEU 31 N 0.00 -0.52 0.25 2.23 4.07 -1.62 0.27 115.31 120.00 2wdl h LEU 31 Ca 0.00 0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 2wdl h LEU 31 Cb 0.00 0.42 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2wdl h LEU 31 CO 0.00 -0.23 -0.17 -0.65 -1.08 0.00 0.00 178.44 176.31 2wdl h PRO 32 N 0.05 -0.40 -0.55 1.13 0.11 -1.72 -2.15 132.00 128.48 2wdl h PRO 32 Ca 0.42 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2wdl h PRO 32 Cb 0.73 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2wdl h PRO 32 CO -0.76 -0.27 0.00 0.54 -0.21 0.00 0.00 178.00 177.31 2wdl n ARG 33 N -5.29 1.17 -3.81 1.05 1.74 -0.63 -4.91 116.66 105.97 2wdl n ARG 33 Ca -0.09 -0.17 -0.34 0.00 -0.77 0.00 0.00 57.85 56.48 2wdl n ARG 33 Cb 0.21 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2wdl n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdl n GLY 34 N 0.28 -1.03 0.01 -0.13 0.00 0.83 -4.87 105.19 100.29 2wdl n GLY 34 Ca 0.02 0.45 0.01 0.00 0.00 0.00 0.00 46.02 46.49 2wdl n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdl n LEU 35 N -4.01 1.72 0.00 0.99 4.77 -0.40 -4.86 117.00 115.21 2wdl n LEU 35 Ca -0.14 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 2wdl n LEU 35 Cb 0.60 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wdl n LEU 35 CO 0.68 0.44 0.00 0.00 -1.33 0.00 0.00 177.39 177.18 2wdl n ALA 36 N -0.49 0.00 -2.70 -1.18 0.00 -1.26 -3.20 120.51 111.68 2wdl n ALA 36 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2wdl n ALA 36 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 2wdl n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdl s VAL 37 N -2.00 0.11 -0.12 0.00 1.01 -0.41 -4.19 120.40 114.81 2wdl s VAL 37 Ca 0.00 -1.12 -0.36 0.00 0.00 0.00 0.00 61.98 60.50 2wdl s VAL 37 Cb 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 36.38 34.79 2wdl s VAL 37 CO 0.00 -0.48 1.81 0.18 0.00 0.00 0.00 175.10 176.61 2wdl n LEU 38 N -0.14 3.12 -2.86 3.92 4.32 -1.26 -1.91 117.00 122.18 2wdl n LEU 38 Ca -0.13 1.01 -0.20 0.00 -0.02 0.00 0.00 56.01 56.67 2wdl n LEU 38 Cb 0.63 -1.31 -0.05 0.00 -1.62 0.00 0.00 43.42 41.06 2wdl n LEU 38 CO 0.22 -0.19 2.18 0.00 -1.22 0.00 0.00 177.39 178.38 2wdl n ALA 39 N 6.01 5.21 -2.43 -1.18 0.00 -0.75 -4.71 120.51 122.66 2wdl n ALA 39 Ca 0.23 -2.02 -0.20 0.00 0.00 0.00 0.00 53.44 51.46 2wdl n ALA 39 Cb 0.25 -2.83 -0.00 0.00 0.00 0.00 0.00 19.45 16.87 2wdl n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wdl s THR 40 N 2.59 4.04 0.25 0.00 -4.23 -1.26 -4.88 115.64 112.15 2wdl s THR 40 Ca 0.47 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2wdl s THR 40 Cb 0.15 -3.42 0.23 0.00 1.34 0.00 0.00 72.50 70.81 2wdl s THR 40 CO -0.03 -0.19 1.86 -0.33 -0.54 0.00 0.00 174.62 175.39 2wdl h GLU 41 N 0.77 0.99 -0.98 3.99 5.08 -1.95 0.75 114.58 123.23 2wdl h GLU 41 Ca -0.46 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.05 2wdl h GLU 41 Cb 1.26 -0.22 -0.19 0.00 0.50 0.00 0.00 28.75 30.10 2wdl h GLU 41 CO 0.54 0.65 -0.22 0.45 -1.00 0.00 0.00 179.01 179.43 2wdl n SER 42 N -4.59 -0.33 -0.06 1.42 2.88 -1.26 0.87 113.62 112.54 2wdl n SER 42 Ca 0.13 1.68 -0.12 0.00 -1.33 0.00 0.00 58.87 59.23 2wdl n SER 42 Cb 0.18 -0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.98 2wdl n SER 42 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wdl n ASN 43 N -5.59 0.88 0.02 -3.46 3.02 -0.90 -3.91 115.26 105.33 2wdl n ASN 43 Ca 0.16 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.73 2wdl n ASN 43 Cb 0.52 0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.78 2wdl n ASN 43 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wdl h LEU 44 N 0.01 -0.01 -1.26 3.41 5.85 0.17 -0.12 115.31 123.36 2wdl h LEU 44 Ca -0.45 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 57.96 2wdl h LEU 44 Cb 2.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 2wdl h LEU 44 CO 0.04 0.22 -0.33 0.07 -0.34 0.00 0.00 178.44 178.10 2wdl h LYS 45 N -0.25 0.07 -0.25 1.25 2.10 0.27 -0.98 116.57 118.77 2wdl h LYS 45 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2wdl h LYS 45 Cb 0.24 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2wdl h LYS 45 CO 0.00 0.40 0.00 0.00 -2.00 0.00 0.00 179.45 177.85 2wdl n ALA 46 N -2.48 2.47 0.04 0.07 0.00 -1.08 -3.13 120.51 116.41 2wdl n ALA 46 Ca -0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 2wdl n ALA 46 Cb 0.39 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 2wdl n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdl h LEU 47 N 1.63 0.05 -1.43 0.00 5.85 0.41 -3.19 115.31 118.63 2wdl h LEU 47 Ca 0.00 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2wdl h LEU 47 Cb 0.37 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2wdl h LEU 47 CO 0.00 1.05 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.60 2wdl h GLU 48 N 0.01 0.09 0.00 1.25 4.39 -1.63 0.94 114.58 119.63 2wdl h GLU 48 Ca -0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2wdl h GLU 48 Cb 1.86 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 2wdl h GLU 48 CO 0.12 0.32 0.00 0.00 -1.16 0.00 0.00 179.01 178.29 2wdl n ALA 49 N -2.49 1.77 0.00 3.43 0.00 -1.20 -1.47 120.51 120.54 2wdl n ALA 49 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wdl n ALA 49 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wdl n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl n ARG 50 N -0.60 0.00 0.00 0.00 1.74 -0.52 -4.67 116.66 112.60 2wdl n ARG 50 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2wdl n ARG 50 Cb 0.01 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 2wdl n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdl n ILE 51 N -1.65 0.00 0.14 0.55 2.08 0.31 -2.77 119.36 118.03 2wdl n ILE 51 Ca 0.00 0.81 0.01 0.00 0.56 0.00 0.00 62.75 64.14 2wdl n ILE 51 Cb 0.00 -1.75 0.33 0.00 -0.75 0.00 0.00 39.64 37.47 2wdl n ILE 51 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2wdl h ARG 52 N 0.00 0.12 0.00 0.38 0.11 -1.71 -2.73 114.38 110.56 2wdl h ARG 52 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2wdl h ARG 52 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2wdl h ARG 52 CO 0.00 0.44 0.00 0.00 0.10 0.00 0.00 179.97 180.51 2wdl n ALA 53 N -2.48 0.00 0.32 0.08 0.00 -0.54 -2.37 120.51 115.52 2wdl n ALA 53 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.63 2wdl n ALA 53 Cb 0.39 0.11 1.07 0.00 0.00 0.00 0.00 19.45 21.03 2wdl n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wdl h GLN 54 N 0.00 0.00 0.00 0.00 4.15 -1.65 -2.54 115.11 115.07 2wdl h GLN 54 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wdl h GLN 54 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2wdl h GLN 54 CO 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 2wdl n ALA 55 N -2.11 -0.19 -0.15 3.38 0.00 -1.02 -1.57 120.51 118.85 2wdl n ALA 55 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2wdl n ALA 55 Cb 0.13 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 2wdl n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wdl h LYS 56 N 0.00 0.89 0.00 0.00 2.10 -1.50 -2.54 116.57 115.52 2wdl h LYS 56 Ca 0.00 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2wdl h LYS 56 Cb 0.00 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 2wdl h LYS 56 CO 0.00 1.00 0.00 -2.13 -2.00 0.00 0.00 179.45 176.32 2wdl n ARG 57 N -4.23 0.02 -0.01 0.07 0.63 -0.96 0.11 116.66 112.28 2wdl n ARG 57 Ca -0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2wdl n ARG 57 Cb 0.40 -1.39 -0.12 0.00 0.45 0.00 0.00 32.46 31.79 2wdl n ARG 57 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2wdl n LEU 58 N -0.89 0.63 0.00 6.15 7.94 -0.61 -3.89 117.00 126.34 2wdl n LEU 58 Ca 0.00 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 2wdl n LEU 58 Cb 0.00 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.13 2wdl n LEU 58 CO 0.00 0.28 0.09 0.00 -1.11 0.00 0.00 177.39 176.65 2wdl n ALA 59 N -2.50 1.22 0.45 1.96 0.00 0.29 -1.43 120.51 120.50 2wdl n ALA 59 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2wdl n ALA 59 Cb 0.95 -0.81 0.46 0.00 0.00 0.00 0.00 19.45 20.05 2wdl n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wdl n GLU 60 N -0.62 0.17 0.00 0.00 4.07 -1.25 0.11 120.64 123.12 2wdl n GLU 60 Ca 0.00 0.36 0.02 0.00 -0.06 0.00 0.00 57.16 57.48 2wdl n GLU 60 Cb 0.00 -1.80 0.02 0.00 -0.06 0.00 0.00 31.44 29.60 2wdl n GLU 60 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2wdl n ARG 61 N -2.11 0.03 0.00 5.31 3.00 -0.51 -3.54 116.66 118.84 2wdl n ARG 61 Ca 0.03 -0.70 0.00 0.00 -0.01 0.00 0.00 57.85 57.17 2wdl n ARG 61 Cb 0.25 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.65 2wdl n ARG 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wdl n LYS 62 N 0.15 -0.56 0.00 5.56 4.76 -0.91 -4.09 118.16 123.08 2wdl n LYS 62 Ca 0.02 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 2wdl n LYS 62 Cb 0.10 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 2wdl n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdl n ALA 63 N -0.04 1.55 0.73 7.82 0.00 0.29 -4.41 120.51 126.45 2wdl n ALA 63 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2wdl n ALA 63 Cb 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 2wdl n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdl n GLU 64 N -1.33 1.83 -0.01 0.00 -0.58 -1.23 -3.75 120.64 115.57 2wdl n GLU 64 Ca 0.00 -0.25 0.10 0.00 -0.42 0.00 0.00 57.16 56.59 2wdl n GLU 64 Cb 0.23 -1.25 -0.14 0.00 -0.57 0.00 0.00 31.44 29.72 2wdl n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdl n ALA 65 N -0.99 3.52 1.04 0.62 0.00 -1.26 -4.01 120.51 119.44 2wdl n ALA 65 Ca 0.04 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.10 2wdl n ALA 65 Cb 0.27 -0.70 0.35 0.00 0.00 0.00 0.00 19.45 19.38 2wdl n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdl n GLU 66 N -1.88 0.10 -0.48 0.00 -0.58 -1.26 -3.14 120.64 113.41 2wdl n GLU 66 Ca -0.00 -0.05 0.08 0.00 -0.42 0.00 0.00 57.16 56.76 2wdl n GLU 66 Cb 0.43 -1.50 0.28 0.00 -0.57 0.00 0.00 31.44 30.08 2wdl n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wdl n ARG 67 N -1.40 3.35 -0.00 3.49 1.74 -1.25 -2.79 116.66 119.80 2wdl n ARG 67 Ca 0.07 -2.72 0.02 0.00 -0.77 0.00 0.00 57.85 54.45 2wdl n ARG 67 Cb 0.33 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2wdl n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdl n LEU 68 N 0.25 0.01 -0.02 0.55 7.94 -1.19 -4.54 117.00 120.00 2wdl n LEU 68 Ca 0.21 -0.02 -0.22 0.00 -1.11 0.00 0.00 56.01 54.87 2wdl n LEU 68 Cb 0.83 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.64 2wdl n LEU 68 CO 0.18 0.00 -0.61 0.50 -1.11 0.00 0.00 177.39 176.35 2wdl h LYS 69 N 0.00 0.20 0.00 1.96 3.64 -1.62 -2.56 116.57 118.19 2wdl h LYS 69 Ca 0.00 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2wdl h LYS 69 Cb 0.19 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2wdl h LYS 69 CO 0.00 1.16 0.07 0.93 -2.27 0.00 0.00 179.45 179.34 2wdl h GLU 70 N -0.31 0.00 0.00 1.90 4.39 -1.76 -2.65 114.58 116.15 2wdl h GLU 70 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2wdl h GLU 70 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 2wdl h GLU 70 CO 0.01 0.00 -0.03 0.44 -1.16 0.00 0.00 179.01 178.27 2wdl n ILE 71 N -2.54 0.81 0.26 3.13 -5.35 -1.26 -4.79 119.36 109.62 2wdl n ILE 71 Ca -0.02 0.26 0.03 0.00 -0.27 0.00 0.00 62.75 62.75 2wdl n ILE 71 Cb 0.11 -1.41 0.14 0.00 -1.74 0.00 0.00 39.64 36.74 2wdl n ILE 71 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wdl n LEU 72 N -3.17 0.00 -0.17 7.28 7.99 -0.96 -2.15 117.00 125.81 2wdl n LEU 72 Ca -0.00 0.26 0.08 0.00 -0.01 0.00 0.00 56.01 56.34 2wdl n LEU 72 Cb 0.02 -0.26 0.39 0.00 -0.11 0.00 0.00 43.42 43.45 2wdl n LEU 72 CO 0.01 -0.22 0.76 1.21 -1.51 0.00 0.00 177.39 177.64 2wdl n GLU 73 N -1.26 1.23 0.00 3.23 2.13 -1.00 -3.98 120.64 120.98 2wdl n GLU 73 Ca 0.03 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.50 2wdl n GLU 73 Cb 0.04 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2wdl n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wdl n ASN 74 N -0.39 1.51 -4.55 4.31 4.13 -0.91 -4.77 115.26 114.59 2wdl n ASN 74 Ca 0.12 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.09 2wdl n ASN 74 Cb 0.13 0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.35 2wdl n ASN 74 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wdl n LEU 75 N -1.70 1.85 0.22 3.41 4.32 -1.20 -4.79 117.00 119.11 2wdl n LEU 75 Ca 0.00 -0.77 0.06 0.00 -0.02 0.00 0.00 56.01 55.28 2wdl n LEU 75 Cb 0.18 -1.52 0.51 0.00 -1.62 0.00 0.00 43.42 40.97 2wdl n LEU 75 CO 0.00 -1.84 0.88 0.71 -1.22 0.00 0.00 177.39 175.92 2wdl h THR 76 N 7.70 1.08 0.00 -5.08 1.35 -1.90 -3.39 112.91 112.67 2wdl h THR 76 Ca -0.14 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2wdl h THR 76 Cb 1.18 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2wdl h THR 76 CO 1.15 0.20 0.00 0.18 -0.25 0.00 0.00 175.52 176.80 2wdl n LEU 77 N -4.20 0.00 -1.30 3.87 4.77 -1.26 -3.32 117.00 115.56 2wdl n LEU 77 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2wdl n LEU 77 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wdl n LEU 77 CO 0.36 0.00 -0.31 0.41 -1.33 0.00 0.00 177.39 176.52 2wdl n THR 78 N 0.00 -5.62 -5.20 -5.08 -1.04 -1.25 -4.89 114.28 91.20 2wdl n THR 78 Ca 0.00 1.87 -0.32 0.00 -2.04 0.00 0.00 64.05 63.56 2wdl n THR 78 Cb 0.00 -3.08 -0.17 0.00 -1.82 0.00 0.00 70.33 65.26 2wdl n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wdl s ILE 79 N -1.29 2.06 -1.06 12.58 -1.09 0.39 -4.86 121.20 127.93 2wdl s ILE 79 Ca 0.00 -1.02 -0.23 0.00 -2.23 0.00 0.00 60.65 57.17 2wdl s ILE 79 Cb 0.00 -1.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 2wdl s ILE 79 CO 0.00 0.56 1.88 -2.16 -1.23 0.00 0.00 174.94 173.99 2wdl s PRO 80 N 0.36 2.74 0.00 2.79 0.04 -1.26 -2.16 135.00 137.51 2wdl s PRO 80 Ca -0.19 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 59.99 2wdl s PRO 80 Cb -0.18 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2wdl s PRO 80 CO 0.09 -3.43 0.00 0.28 0.04 0.00 0.00 177.00 173.97 2wdl n VAL 81 N 7.64 0.00 0.00 -0.36 0.31 -1.09 -4.90 118.33 119.92 2wdl n VAL 81 Ca 0.42 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.10 2wdl n VAL 81 Cb 0.47 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2wdl n VAL 81 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdl n ARG 82 N 0.00 0.00 -3.53 5.55 0.63 -1.26 -4.99 116.66 113.06 2wdl n ARG 82 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2wdl n ARG 82 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2wdl n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdl s ALA 83 N 0.00 -1.42 -1.10 5.13 0.00 -1.26 -3.74 121.76 119.37 2wdl s ALA 83 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 2wdl s ALA 83 Cb 0.00 0.86 0.29 0.00 0.00 0.00 0.00 23.12 24.27 2wdl s ALA 83 CO 0.00 -0.80 1.21 0.41 0.00 0.00 0.00 175.76 176.58 2wdl n GLY 84 N -0.37 4.49 2.34 0.00 0.00 -1.25 -4.82 105.19 105.57 2wdl n GLY 84 Ca -0.14 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.26 2wdl n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wdl n GLU 85 N 2.27 0.00 0.00 1.61 4.07 -1.26 -4.67 120.64 122.66 2wdl n GLU 85 Ca 0.25 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 2wdl n GLU 85 Cb 0.37 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 2wdl n GLU 85 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2wdl n THR 86 N 0.00 0.00 -1.64 6.31 -2.24 -1.26 -4.81 114.28 110.65 2wdl n THR 86 Ca 0.00 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.32 2wdl n THR 86 Cb 0.00 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 2wdl n THR 86 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wdl n LYS 87 N -0.45 1.70 -2.60 -0.78 4.81 -1.26 -3.14 118.16 116.44 2wdl n LYS 87 Ca 0.00 0.60 -0.24 0.00 -0.87 0.00 0.00 58.31 57.81 2wdl n LYS 87 Cb 0.00 -2.17 0.11 0.00 0.02 0.00 0.00 35.03 32.99 2wdl n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wdl s ILE 88 N -0.34 2.09 -0.29 3.15 1.01 -1.23 -3.91 121.20 121.68 2wdl s ILE 88 Ca 0.67 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.82 2wdl s ILE 88 Cb -0.70 -2.49 0.54 0.00 0.01 0.00 0.00 42.46 39.82 2wdl s ILE 88 CO 0.53 0.00 1.52 -1.22 0.00 0.00 0.00 174.94 175.77 2wdl n TYR 89 N -2.86 1.35 0.00 3.97 0.53 -1.25 -4.90 117.16 114.01 2wdl n TYR 89 Ca 0.16 -1.45 0.00 0.00 -1.02 0.00 0.00 57.90 55.58 2wdl n TYR 89 Cb 0.61 -0.52 0.00 0.00 -1.03 0.00 0.00 39.34 38.40 2wdl n TYR 89 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wdl n GLY 90 N -0.95 -0.77 0.00 2.72 0.00 -1.26 -5.15 105.19 99.79 2wdl n GLY 90 Ca 0.34 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2wdl n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wdl n SER 91 N 0.00 0.00 -2.00 1.61 3.41 -1.26 -4.56 113.62 110.82 2wdl n SER 91 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2wdl n SER 91 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2wdl n SER 91 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2wdl n VAL 92 N 0.00 0.00 -0.13 -3.33 3.14 -0.63 -4.94 118.33 112.44 2wdl n VAL 92 Ca 0.00 -0.54 -0.07 0.00 -2.96 0.00 0.00 64.34 60.76 2wdl n VAL 92 Cb 0.00 0.74 0.07 0.00 -1.06 0.00 0.00 33.84 33.59 2wdl n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wdl n THR 93 N -0.85 0.00 -0.02 1.55 -2.24 -1.26 -4.43 114.28 107.03 2wdl n THR 93 Ca -0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2wdl n THR 93 Cb 0.72 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 2wdl n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdl h ALA 94 N -2.21 0.09 0.00 6.98 0.00 -1.96 -1.76 119.26 120.41 2wdl h ALA 94 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wdl h ALA 94 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wdl h ALA 94 CO 0.06 -0.22 0.13 1.63 0.00 0.00 0.00 179.25 180.85 2wdl n LYS 95 N -4.84 0.00 -0.06 0.00 5.02 -1.26 0.12 118.16 117.14 2wdl n LYS 95 Ca -0.07 0.22 -0.06 0.00 -2.02 0.00 0.00 58.31 56.37 2wdl n LYS 95 Cb 0.20 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2wdl n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wdl n ASP 96 N -1.16 1.37 0.01 4.39 8.00 -0.99 -3.93 116.55 124.24 2wdl n ASP 96 Ca 0.00 0.23 -0.01 0.00 0.71 0.00 0.00 54.79 55.73 2wdl n ASP 96 Cb 0.13 -0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2wdl n ASP 96 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wdl h ILE 97 N -0.69 0.00 -0.87 0.53 2.04 0.15 -0.47 117.51 118.21 2wdl h ILE 97 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 2wdl h ILE 97 Cb 0.69 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.62 2wdl h ILE 97 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.17 2wdl h ALA 98 N -1.69 0.96 -0.83 1.87 0.00 0.72 0.49 119.26 120.78 2wdl h ALA 98 Ca -0.00 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2wdl h ALA 98 Cb 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2wdl h ALA 98 CO -0.00 -0.48 0.40 1.49 0.00 0.00 0.00 179.25 180.66 2wdl h GLU 99 N 0.07 1.19 0.00 0.00 4.22 -1.53 0.58 114.58 119.11 2wdl h GLU 99 Ca 0.50 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.76 2wdl h GLU 99 Cb 0.94 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2wdl h GLU 99 CO -0.78 0.91 -0.38 0.00 -2.18 0.00 0.00 179.01 176.59 2wdl n ALA 100 N -2.41 3.01 0.00 2.92 0.00 -0.06 -3.22 120.51 120.75 2wdl n ALA 100 Ca 0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 2wdl n ALA 100 Cb 0.14 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 2wdl n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdl h LEU 101 N 0.00 0.21 -0.09 0.00 5.85 0.49 0.32 115.31 122.09 2wdl h LEU 101 Ca 0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2wdl h LEU 101 Cb 0.58 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2wdl h LEU 101 CO 0.00 1.38 0.00 -1.20 -0.34 0.00 0.00 178.44 178.28 2wdl n SER 102 N -3.27 0.29 -0.07 1.25 7.64 0.20 -2.73 113.62 116.92 2wdl n SER 102 Ca -0.22 0.54 -0.16 0.00 1.01 0.00 0.00 58.87 60.04 2wdl n SER 102 Cb 1.05 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2wdl n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wdl n ARG 103 N -1.79 0.34 0.12 1.43 3.00 -1.20 -2.76 116.66 115.80 2wdl n ARG 103 Ca 0.05 0.15 0.16 0.00 -0.01 0.00 0.00 57.85 58.20 2wdl n ARG 103 Cb 0.31 -1.08 0.71 0.00 0.00 0.00 0.00 32.46 32.40 2wdl n ARG 103 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2wdl h GLN 104 N -0.59 0.00 0.00 5.56 4.15 -1.05 -3.27 115.11 119.91 2wdl h GLN 104 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2wdl h GLN 104 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2wdl h GLN 104 CO -0.21 0.00 -0.45 0.72 -1.93 0.00 0.00 178.83 176.96 2wdl n HIS 105 N -4.29 0.00 -1.11 3.99 8.25 -1.19 -5.07 115.22 115.79 2wdl n HIS 105 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2wdl n HIS 105 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2wdl n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdl n GLY 106 N 1.37 0.71 3.51 -1.41 0.00 -1.11 -5.03 105.19 103.23 2wdl n GLY 106 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 2wdl n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 107 N -2.48 2.70 -0.32 1.61 1.01 -1.16 -4.95 120.40 116.80 2wdl s VAL 107 Ca 0.00 -2.25 -0.19 0.00 0.00 0.00 0.00 61.98 59.54 2wdl s VAL 107 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2wdl s VAL 107 CO 0.00 -0.36 0.56 -0.89 0.00 0.00 0.00 175.10 174.41 2wdl s THR 108 N -2.38 4.99 -0.08 3.92 2.01 -1.26 -3.70 115.64 119.14 2wdl s THR 108 Ca 0.29 0.62 0.04 0.00 0.31 0.00 0.00 61.69 62.95 2wdl s THR 108 Cb -0.06 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.49 2wdl s THR 108 CO 0.16 -0.15 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.09 2wdl s ILE 109 N 2.48 1.85 -0.34 1.82 1.09 -1.26 -5.06 121.20 121.78 2wdl s ILE 109 Ca 0.22 -0.91 -0.20 0.00 -1.10 0.00 0.00 60.65 58.66 2wdl s ILE 109 Cb -0.15 -1.60 -0.00 0.00 -1.06 0.00 0.00 42.46 39.64 2wdl s ILE 109 CO 0.12 0.52 0.60 -0.62 -0.10 0.00 0.00 174.94 175.46 2wdl s ASP 110 N 0.29 6.42 -0.35 3.58 -1.08 -1.26 -4.92 116.67 119.35 2wdl s ASP 110 Ca -0.15 0.21 -0.05 0.00 -0.52 0.00 0.00 52.55 52.05 2wdl s ASP 110 Cb -0.16 -2.31 -0.13 0.00 -1.46 0.00 0.00 42.92 38.85 2wdl s ASP 110 CO 0.07 -0.52 2.41 -0.81 0.52 0.00 0.00 175.17 176.84 2wdl n PRO 111 N 5.91 1.64 0.00 4.34 -0.04 -1.26 -3.33 135.00 142.26 2wdl n PRO 111 Ca -0.02 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2wdl n PRO 111 Cb 0.49 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2wdl n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wdl n LYS 112 N 3.16 0.00 0.00 0.54 5.02 -1.26 -4.89 118.16 120.73 2wdl n LYS 112 Ca 0.35 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 2wdl n LYS 112 Cb 0.44 0.00 0.57 0.00 -0.02 0.00 0.00 35.03 36.01 2wdl n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wdl n ARG 113 N -1.20 0.16 0.26 1.97 5.12 -1.21 -3.63 116.66 118.14 2wdl n ARG 113 Ca 0.00 0.07 0.09 0.00 -1.93 0.00 0.00 57.85 56.08 2wdl n ARG 113 Cb 0.00 -1.50 0.68 0.00 -1.16 0.00 0.00 32.46 30.48 2wdl n ARG 113 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2wdl h LEU 114 N 0.00 0.00 -2.57 0.55 3.38 -1.76 -2.97 115.31 111.93 2wdl h LEU 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdl h LEU 114 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wdl h LEU 114 CO 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 178.14 2wdl n ALA 115 N -2.51 -3.13 -3.57 1.53 0.00 -1.24 -3.57 120.51 108.03 2wdl n ALA 115 Ca -0.03 0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 2wdl n ALA 115 Cb 0.09 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 2wdl n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wdl s LEU 116 N -1.44 -0.79 0.00 0.00 2.96 -1.26 -4.67 118.68 113.49 2wdl s LEU 116 Ca 0.08 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 2wdl s LEU 116 Cb -0.02 2.00 0.00 0.00 0.50 0.00 0.00 46.19 48.67 2wdl s LEU 116 CO 0.42 -0.17 0.00 -1.84 -1.32 0.00 0.00 176.35 173.44 2wdl n GLU 117 N 4.68 0.00 -1.75 1.98 0.28 -1.26 -4.84 120.64 119.73 2wdl n GLU 117 Ca -0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.44 2wdl n GLU 117 Cb 0.54 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.40 2wdl n GLU 117 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2wdl n LYS 118 N 0.00 2.59 0.00 3.44 0.00 -1.26 -4.85 118.16 118.09 2wdl n LYS 118 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 58.31 59.23 2wdl n LYS 118 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.38 2wdl n LYS 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wdl n PRO 119 N 1.24 0.50 -1.32 1.64 -0.04 -1.26 -4.96 135.00 130.80 2wdl n PRO 119 Ca 0.05 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.69 2wdl n PRO 119 Cb 0.37 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 2wdl n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wdl n ILE 120 N 0.70 0.00 0.00 0.52 5.41 -1.26 -1.61 119.36 123.12 2wdl n ILE 120 Ca 0.00 0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.98 2wdl n ILE 120 Cb 0.24 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 2wdl n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wdl n LYS 121 N -4.07 0.00 0.00 0.38 3.00 -1.26 -4.56 118.16 111.65 2wdl n LYS 121 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2wdl n LYS 121 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.64 2wdl n LYS 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2wdl n GLU 122 N 0.00 0.00 -0.59 1.64 0.00 -1.26 -3.57 120.64 116.86 2wdl n GLU 122 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2wdl n GLU 122 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 31.44 31.71 2wdl n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2wdl s LEU 123 N 0.00 -0.47 0.00 4.31 1.43 -1.19 -4.93 118.68 117.84 2wdl s LEU 123 Ca 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2wdl s LEU 123 Cb 0.00 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2wdl s LEU 123 CO 0.00 -4.95 0.00 0.61 0.23 0.00 0.00 176.35 172.24 2wdl n GLY 124 N 0.65 1.62 3.42 -3.19 0.00 -1.25 -5.03 105.19 101.42 2wdl n GLY 124 Ca 0.12 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 2wdl n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdl s GLU 125 N -1.29 3.05 -0.20 1.61 0.41 -1.26 -2.83 118.70 118.19 2wdl s GLU 125 Ca 0.00 -1.09 -0.03 0.00 -0.41 0.00 0.00 54.97 53.44 2wdl s GLU 125 Cb 0.00 -4.09 -0.01 0.00 -1.78 0.00 0.00 34.13 28.25 2wdl s GLU 125 CO 0.00 -1.07 -0.06 0.71 -0.49 0.00 0.00 175.26 174.35 2wdl s TYR 126 N 2.08 2.94 0.42 1.61 4.12 0.04 -5.00 117.35 123.56 2wdl s TYR 126 Ca 0.09 -0.85 -0.04 0.00 0.02 0.00 0.00 57.07 56.29 2wdl s TYR 126 Cb -0.21 -2.05 -0.04 0.00 -1.52 0.00 0.00 41.96 38.14 2wdl s TYR 126 CO 0.10 -0.46 0.70 0.08 0.02 0.00 0.00 175.55 175.99 2wdl s VAL 127 N 1.20 4.96 0.00 0.71 1.01 -1.26 0.55 120.40 127.57 2wdl s VAL 127 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2wdl s VAL 127 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2wdl s VAL 127 CO -0.02 -0.70 0.00 0.18 0.00 0.00 0.00 175.10 174.56 2wdl n LEU 128 N -1.94 0.00 -3.64 3.92 4.77 0.14 -4.85 117.00 115.40 2wdl n LEU 128 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2wdl n LEU 128 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2wdl n LEU 128 CO 0.51 0.00 0.74 0.28 -1.33 0.00 0.00 177.39 177.59 2wdl s THR 129 N 0.08 -0.01 0.45 -5.08 -1.32 -1.23 -3.89 115.64 104.64 2wdl s THR 129 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 2wdl s THR 129 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 2wdl s THR 129 CO 0.00 0.00 0.62 0.00 -2.21 0.00 0.00 174.62 173.03 2wdl n TYR 130 N 3.60 -2.67 -4.44 9.09 4.19 0.71 -3.71 117.16 123.93 2wdl n TYR 130 Ca -0.18 -1.44 -0.21 0.00 3.31 0.00 0.00 57.90 59.37 2wdl n TYR 130 Cb 0.57 -0.44 -0.11 0.00 0.49 0.00 0.00 39.34 39.86 2wdl n TYR 130 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2wdl s LYS 131 N -4.04 1.62 0.13 2.98 -0.14 -1.12 -4.47 119.74 114.70 2wdl s LYS 131 Ca 0.45 -1.88 0.01 0.00 -1.36 0.00 0.00 55.97 53.19 2wdl s LYS 131 Cb -0.03 -0.91 0.01 0.00 -1.68 0.00 0.00 37.83 35.22 2wdl s LYS 131 CO 0.29 -0.14 0.09 -0.35 -0.76 0.00 0.00 175.35 174.48 2wdl n PRO 132 N -0.66 1.33 0.00 -1.68 -0.04 -1.26 -4.90 135.00 127.80 2wdl n PRO 132 Ca -0.03 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2wdl n PRO 132 Cb 0.66 0.10 0.00 0.00 -0.04 0.00 0.00 33.50 34.22 2wdl n PRO 132 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2wdl n HIS 133 N -0.77 0.00 -1.66 0.54 1.44 -1.26 -3.95 115.22 109.56 2wdl n HIS 133 Ca -0.01 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.24 2wdl n HIS 133 Cb 0.15 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.22 2wdl n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2wdl n PRO 134 N 7.75 1.96 -3.11 -1.40 -0.02 -1.26 -4.94 135.00 133.98 2wdl n PRO 134 Ca 0.00 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 2wdl n PRO 134 Cb 0.00 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 2wdl n PRO 134 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdl n GLU 135 N 2.68 0.21 -4.63 -0.52 -0.00 -1.25 -4.92 120.64 112.22 2wdl n GLU 135 Ca 0.15 -1.67 -0.23 0.00 -0.00 0.00 0.00 57.16 55.41 2wdl n GLU 135 Cb 0.29 1.38 -0.15 0.00 -0.00 0.00 0.00 31.44 32.95 2wdl n GLU 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wdl s VAL 136 N -2.68 1.10 -0.42 3.84 0.11 -1.26 -4.95 120.40 116.15 2wdl s VAL 136 Ca 0.20 -0.56 -0.16 0.00 -2.93 0.00 0.00 61.98 58.52 2wdl s VAL 136 Cb 0.01 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2wdl s VAL 136 CO 0.14 0.32 0.37 -2.16 -3.33 0.00 0.00 175.10 170.44 2wdl s PRO 137 N -0.08 3.04 0.01 1.54 0.04 -1.26 -0.21 135.00 138.07 2wdl s PRO 137 Ca 0.01 -0.89 -0.15 0.00 0.04 0.00 0.00 61.00 60.01 2wdl s PRO 137 Cb -0.08 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 2wdl s PRO 137 CO 0.00 -0.80 0.42 0.42 0.04 0.00 0.00 177.00 177.09 2wdl s ILE 138 N 1.91 5.01 0.00 0.56 1.01 -1.25 -4.67 121.20 123.76 2wdl s ILE 138 Ca 0.09 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.46 2wdl s ILE 138 Cb -0.18 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2wdl s ILE 138 CO 0.12 0.57 0.42 -1.58 0.00 0.00 0.00 174.94 174.47 2wdl s GLN 139 N -1.06 3.95 -0.05 2.79 0.74 -1.26 0.26 119.66 125.03 2wdl s GLN 139 Ca 0.24 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.09 2wdl s GLN 139 Cb -0.17 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.73 2wdl s GLN 139 CO 0.14 0.67 -0.04 -1.17 -0.55 0.00 0.00 175.29 174.34 2wdl s LEU 140 N -1.02 1.15 0.19 3.68 2.96 0.19 -3.87 118.68 121.97 2wdl s LEU 140 Ca 0.24 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2wdl s LEU 140 Cb -0.17 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 2wdl s LEU 140 CO 0.14 -0.09 0.24 -0.54 -1.32 0.00 0.00 176.35 174.78 2wdl s LYS 141 N 1.19 3.18 -0.31 1.98 1.02 -1.21 -0.78 119.74 124.82 2wdl s LYS 141 Ca -0.07 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.09 2wdl s LYS 141 Cb -0.14 -2.77 0.11 0.00 -0.52 0.00 0.00 37.83 34.51 2wdl s LYS 141 CO -0.02 0.47 0.15 0.14 -0.92 0.00 0.00 175.35 175.17 2wdl s VAL 142 N -1.88 0.03 0.00 3.17 -7.23 -1.13 0.15 120.40 113.51 2wdl s VAL 142 Ca 0.33 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2wdl s VAL 142 Cb -0.10 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.79 2wdl s VAL 142 CO 0.26 -0.79 0.00 -0.24 -0.31 0.00 0.00 175.10 174.03 2wdl n SER 143 N 4.95 0.00 0.00 4.85 2.88 -0.92 -3.93 113.62 121.46 2wdl n SER 143 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2wdl n SER 143 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2wdl n SER 143 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2wdl n VAL 144 N 0.00 0.00 -0.87 2.46 0.24 -1.26 -2.68 118.33 116.22 2wdl n VAL 144 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2wdl n VAL 144 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2wdl n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2wdl n VAL 145 N 0.00 0.00 0.00 3.34 0.31 -1.26 -4.82 118.33 115.90 2wdl n VAL 145 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2wdl n VAL 145 Cb 0.00 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 2wdl n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51