#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh s VAL 2 N 0.00 2.24 0.19 3.17 0.11 -1.26 -2.20 120.40 122.65 2wdh s VAL 2 Ca 0.00 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2wdh s VAL 2 Cb 0.00 -3.08 -0.00 0.00 -1.53 0.00 0.00 36.38 31.77 2wdh s VAL 2 CO 0.00 0.01 0.01 0.29 -3.33 0.00 0.00 175.10 172.08 2wdh n LYS 3 N 4.26 1.34 -3.59 1.54 5.02 0.33 -3.54 118.16 123.52 2wdh n LYS 3 Ca 0.16 -1.41 -0.23 0.00 -2.02 0.00 0.00 58.31 54.80 2wdh n LYS 3 Cb 0.36 0.47 -0.16 0.00 -0.02 0.00 0.00 35.03 35.68 2wdh n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wdh s ILE 4 N -1.82 -0.15 0.20 -0.18 1.01 -1.16 -1.01 121.20 118.08 2wdh s ILE 4 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.61 2wdh s ILE 4 Cb 0.00 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 2wdh s ILE 4 CO 0.01 -0.20 0.24 -2.11 0.00 0.00 0.00 174.94 172.88 2wdh n ARG 5 N 5.29 0.35 -3.55 2.79 1.85 0.25 -1.20 116.66 122.45 2wdh n ARG 5 Ca -0.06 -1.71 -0.37 0.00 -1.00 0.00 0.00 57.85 54.71 2wdh n ARG 5 Cb 0.49 1.55 -0.09 0.00 -1.05 0.00 0.00 32.46 33.37 2wdh n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wdh s LEU 6 N 0.00 4.12 -0.24 2.89 1.02 -1.26 -0.56 118.68 124.65 2wdh s LEU 6 Ca 0.19 0.26 -0.05 0.00 0.02 0.00 0.00 54.13 54.55 2wdh s LEU 6 Cb 0.00 -2.27 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 2wdh s LEU 6 CO 0.13 -0.00 0.01 0.00 0.02 0.00 0.00 176.35 176.51 2wdh s ALA 7 N 1.23 2.96 0.73 4.21 0.00 -1.14 -4.91 121.76 124.84 2wdh s ALA 7 Ca 0.12 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 2wdh s ALA 7 Cb -0.14 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.13 2wdh s ALA 7 CO 0.06 -0.52 1.16 0.50 0.00 0.00 0.00 175.76 176.96 2wdh s ARG 8 N 1.52 2.24 0.00 0.00 3.52 -1.26 -1.32 118.95 123.66 2wdh s ARG 8 Ca 0.05 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 2wdh s ARG 8 Cb -0.15 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 2wdh s ARG 8 CO -0.00 -1.72 0.00 1.19 -0.81 0.00 0.00 175.30 173.96 2wdh n PHE 9 N -2.82 -0.47 -4.13 5.12 3.72 -0.72 -4.87 117.46 113.29 2wdh n PHE 9 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2wdh n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2wdh n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdh n GLY 10 N 0.00 -0.16 3.25 1.37 0.00 -1.26 -3.01 105.19 105.38 2wdh n GLY 10 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 2wdh n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdh n SER 11 N 0.74 2.89 -4.66 1.61 7.64 -1.25 -4.98 113.62 115.61 2wdh n SER 11 Ca 0.00 -2.80 -0.43 0.00 1.01 0.00 0.00 58.87 56.65 2wdh n SER 11 Cb 0.00 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 2wdh n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wdh s LYS 12 N -3.78 4.21 -0.52 1.43 2.20 -1.26 -1.86 119.74 120.17 2wdh s LYS 12 Ca 0.13 1.84 -0.00 0.00 -0.36 0.00 0.00 55.97 57.58 2wdh s LYS 12 Cb -0.01 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2wdh s LYS 12 CO 0.08 -0.76 0.06 0.72 -0.36 0.00 0.00 175.35 175.09 2wdh n HIS 13 N 6.81 -0.40 -2.72 4.03 8.25 -1.26 -4.92 115.22 125.02 2wdh n HIS 13 Ca 0.15 0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.66 2wdh n HIS 13 Cb 0.44 -1.95 0.07 0.00 1.12 0.00 0.00 29.99 29.66 2wdh n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wdh n ASN 14 N 0.68 0.49 -4.32 0.41 5.15 -0.78 -5.11 115.26 111.79 2wdh n ASN 14 Ca -0.06 -2.08 -0.55 0.00 -0.60 0.00 0.00 54.58 51.29 2wdh n ASN 14 Cb 0.55 -0.08 -0.12 0.00 -0.53 0.00 0.00 39.78 39.61 2wdh n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wdh n PRO 15 N -0.77 0.19 -3.89 1.20 -0.02 -1.25 -3.76 135.00 126.70 2wdh n PRO 15 Ca -0.02 0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 2wdh n PRO 15 Cb 0.85 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.50 2wdh n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wdh s HIS 16 N 6.77 2.85 1.04 6.00 3.76 -1.16 -3.93 115.29 130.60 2wdh s HIS 16 Ca 1.20 -2.58 -0.16 0.00 -0.15 0.00 0.00 55.06 53.37 2wdh s HIS 16 Cb -1.34 -2.42 0.22 0.00 1.11 0.00 0.00 32.58 30.15 2wdh s HIS 16 CO 0.60 -0.88 1.21 0.71 -0.85 0.00 0.00 174.74 175.54 2wdh s TYR 17 N 0.89 1.38 -0.27 1.40 1.51 -0.83 -1.76 117.35 119.68 2wdh s TYR 17 Ca 0.12 0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 56.65 2wdh s TYR 17 Cb -0.20 -3.75 0.13 0.00 -0.11 0.00 0.00 41.96 38.02 2wdh s TYR 17 CO -0.11 -3.02 0.29 0.50 -1.11 0.00 0.00 175.55 172.10 2wdh s ARG 18 N -5.61 0.30 0.08 -0.62 3.52 -0.43 -2.98 118.95 113.21 2wdh s ARG 18 Ca 0.71 -0.01 -0.34 0.00 -0.13 0.00 0.00 55.73 55.96 2wdh s ARG 18 Cb -0.08 -0.76 -0.14 0.00 -1.56 0.00 0.00 34.95 32.41 2wdh s ARG 18 CO 0.54 -0.91 1.62 -0.89 -0.81 0.00 0.00 175.30 174.85 2wdh n ILE 19 N 5.32 0.13 -3.71 4.11 2.08 0.18 -2.88 119.36 124.59 2wdh n ILE 19 Ca -0.03 -0.02 -0.14 0.00 0.56 0.00 0.00 62.75 63.12 2wdh n ILE 19 Cb 0.47 -1.51 -0.09 0.00 -0.75 0.00 0.00 39.64 37.77 2wdh n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wdh s VAL 20 N 1.61 0.03 0.04 1.39 0.11 0.27 -2.36 120.40 121.48 2wdh s VAL 20 Ca 0.83 -0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 59.45 2wdh s VAL 20 Cb -0.73 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 33.40 2wdh s VAL 20 CO 0.43 -0.13 0.54 0.54 -3.33 0.00 0.00 175.10 173.14 2wdh s VAL 21 N -0.77 4.84 0.16 2.04 0.11 -0.58 -0.58 120.40 125.62 2wdh s VAL 21 Ca -0.08 1.14 -0.23 0.00 -2.93 0.00 0.00 61.98 59.87 2wdh s VAL 21 Cb -0.04 -3.87 0.08 0.00 -1.53 0.00 0.00 36.38 31.02 2wdh s VAL 21 CO 0.04 0.52 1.04 0.28 -3.33 0.00 0.00 175.10 173.65 2wdh s THR 22 N -0.85 0.00 -0.12 5.04 -1.32 -0.18 -2.02 115.64 116.19 2wdh s THR 22 Ca 0.28 -0.57 -0.24 0.00 -1.21 0.00 0.00 61.69 59.95 2wdh s THR 22 Cb -0.19 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 2wdh s THR 22 CO 0.17 0.00 0.75 -0.62 -2.21 0.00 0.00 174.62 172.71 2wdh s ASP 23 N -3.27 6.94 0.34 8.08 -1.08 -1.26 0.12 116.67 126.54 2wdh s ASP 23 Ca 0.19 1.14 0.14 0.00 -0.52 0.00 0.00 52.55 53.50 2wdh s ASP 23 Cb -0.02 -2.42 1.09 0.00 -1.46 0.00 0.00 42.92 40.11 2wdh s ASP 23 CO 0.04 -0.25 1.65 0.00 0.52 0.00 0.00 175.17 177.14 2wdh h ALA 24 N 7.09 1.93 0.00 3.66 0.00 -1.78 -0.69 119.26 129.47 2wdh h ALA 24 Ca -0.35 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wdh h ALA 24 Cb 1.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wdh h ALA 24 CO 0.79 -0.60 0.00 0.54 0.00 0.00 0.00 179.25 179.98 2wdh n ARG 25 N -5.08 0.03 -1.54 0.00 1.74 -1.26 -4.81 116.66 105.74 2wdh n ARG 25 Ca 0.32 0.27 -0.29 0.00 -0.77 0.00 0.00 57.85 57.37 2wdh n ARG 25 Cb 0.99 -1.55 0.12 0.00 -1.02 0.00 0.00 32.46 30.99 2wdh n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdh s ARG 26 N -3.04 1.56 0.59 5.56 0.52 -0.27 -5.02 118.95 118.84 2wdh s ARG 26 Ca 0.07 0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 55.59 2wdh s ARG 26 Cb 0.10 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 2wdh s ARG 26 CO 0.29 -1.94 1.02 -1.59 0.02 0.00 0.00 175.30 173.10 2wdh s LYS 27 N -5.22 3.60 0.00 3.54 -2.85 -1.26 -4.97 119.74 112.58 2wdh s LYS 27 Ca 0.62 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.52 2wdh s LYS 27 Cb -0.15 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.54 2wdh s LYS 27 CO 0.54 -0.56 0.97 -2.13 0.10 0.00 0.00 175.35 174.27 2wdh n ARG 28 N -2.24 0.00 -1.19 1.78 0.63 -1.26 -1.94 116.66 112.44 2wdh n ARG 28 Ca 0.07 0.90 -0.20 0.00 -0.92 0.00 0.00 57.85 57.70 2wdh n ARG 28 Cb 0.54 -1.47 -0.05 0.00 0.45 0.00 0.00 32.46 31.92 2wdh n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wdh n ASP 29 N -2.75 6.18 -1.81 6.15 10.43 -1.26 -4.81 116.55 128.68 2wdh n ASP 29 Ca 0.00 -2.99 0.00 0.00 2.57 0.00 0.00 54.79 54.37 2wdh n ASP 29 Cb 0.00 -1.22 0.00 0.00 1.84 0.00 0.00 41.12 41.74 2wdh n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wdh n GLY 30 N 1.08 1.98 3.72 0.44 0.00 -0.82 -5.04 105.19 106.56 2wdh n GLY 30 Ca 0.40 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2wdh n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdh s LYS 31 N -1.53 4.34 0.17 1.61 2.20 -1.26 -5.00 119.74 120.26 2wdh s LYS 31 Ca 0.00 2.09 0.09 0.00 -0.36 0.00 0.00 55.97 57.79 2wdh s LYS 31 Cb 0.00 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2wdh s LYS 31 CO 0.00 -0.38 -0.11 1.52 -0.36 0.00 0.00 175.35 176.02 2wdh s TYR 32 N 0.70 2.60 0.21 4.03 1.13 -1.26 -4.90 117.35 119.87 2wdh s TYR 32 Ca 0.62 -0.23 -0.10 0.00 -1.41 0.00 0.00 57.07 55.95 2wdh s TYR 32 Cb -0.37 -1.29 0.19 0.00 -1.10 0.00 0.00 41.96 39.39 2wdh s TYR 32 CO 0.34 0.50 1.87 0.82 -2.51 0.00 0.00 175.55 176.56 2wdh h ILE 33 N 2.88 1.14 -1.45 -3.49 1.08 -1.78 -3.46 117.51 112.43 2wdh h ILE 33 Ca -0.47 -0.33 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 2wdh h ILE 33 Cb 1.20 0.10 -0.26 0.00 -3.07 0.00 0.00 36.82 34.79 2wdh h ILE 33 CO 0.53 0.17 0.60 -0.70 -0.69 0.00 0.00 178.15 178.07 2wdh s GLU 34 N -6.12 0.42 -0.02 2.37 2.12 -1.17 -5.03 118.70 111.27 2wdh s GLU 34 Ca -0.13 0.30 -0.16 0.00 0.36 0.00 0.00 54.97 55.34 2wdh s GLU 34 Cb 0.16 0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.69 2wdh s GLU 34 CO 0.78 -0.09 0.45 0.21 -0.54 0.00 0.00 175.26 176.06 2wdh s LYS 35 N -0.40 4.07 0.00 4.30 2.20 -1.26 -1.53 119.74 127.12 2wdh s LYS 35 Ca 0.03 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2wdh s LYS 35 Cb -0.03 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2wdh s LYS 35 CO -0.05 0.55 0.02 0.44 -0.36 0.00 0.00 175.35 175.95 2wdh n ILE 36 N 2.27 0.00 -0.97 5.43 -5.35 -1.00 -4.97 119.36 114.78 2wdh n ILE 36 Ca -0.12 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2wdh n ILE 36 Cb 0.52 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 2wdh n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdh n GLY 37 N 0.78 -1.40 3.22 3.28 0.00 -1.14 0.32 105.19 110.24 2wdh n GLY 37 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 2wdh n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wdh s TYR 38 N -2.30 1.12 -0.30 1.61 -0.85 -1.04 0.49 117.35 116.07 2wdh s TYR 38 Ca 0.00 -1.34 -0.08 0.00 -0.52 0.00 0.00 57.07 55.13 2wdh s TYR 38 Cb 0.00 -0.52 0.15 0.00 0.38 0.00 0.00 41.96 41.97 2wdh s TYR 38 CO 0.00 -0.66 0.66 -0.47 -1.52 0.00 0.00 175.55 173.56 2wdh s TYR 39 N -4.15 -1.36 -0.59 -3.49 5.04 -1.16 -2.44 117.35 109.20 2wdh s TYR 39 Ca 0.38 2.11 -0.19 0.00 -2.44 0.00 0.00 57.07 56.93 2wdh s TYR 39 Cb 0.07 0.72 0.10 0.00 0.35 0.00 0.00 41.96 43.19 2wdh s TYR 39 CO 0.12 -0.70 0.72 0.34 -1.34 0.00 0.00 175.55 174.69 2wdh s ASP 40 N 2.87 6.19 0.00 4.32 3.68 -0.42 -1.96 116.67 131.35 2wdh s ASP 40 Ca 0.01 -1.33 0.00 0.00 2.13 0.00 0.00 52.55 53.35 2wdh s ASP 40 Cb -0.12 -2.31 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 2wdh s ASP 40 CO -0.19 -1.12 0.64 -0.81 0.13 0.00 0.00 175.17 173.82 2wdh n PRO 41 N 6.44 0.00 -0.11 4.34 -0.04 -1.25 -1.19 135.00 143.18 2wdh n PRO 41 Ca -0.09 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2wdh n PRO 41 Cb 0.43 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2wdh n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdh n ARG 42 N -1.14 2.16 -1.90 0.54 1.74 -1.26 -5.02 116.66 111.78 2wdh n ARG 42 Ca 0.00 -2.24 -0.08 0.00 -0.77 0.00 0.00 57.85 54.76 2wdh n ARG 42 Cb 0.00 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.08 2wdh n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdh n LYS 43 N -0.86 -0.41 -1.08 5.56 4.01 -0.33 -4.77 118.16 120.27 2wdh n LYS 43 Ca 0.11 0.28 -0.15 0.00 -0.51 0.00 0.00 58.31 58.05 2wdh n LYS 43 Cb 0.54 -0.46 0.17 0.00 -0.51 0.00 0.00 35.03 34.76 2wdh n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wdh n THR 44 N -0.30 2.85 0.00 -0.18 -2.24 -1.26 -4.95 114.28 108.20 2wdh n THR 44 Ca -0.03 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 2wdh n THR 44 Cb 0.16 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2wdh n THR 44 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2wdh n THR 45 N -1.08 0.00 -0.24 4.28 5.66 -1.26 -5.05 114.28 116.58 2wdh n THR 45 Ca 0.45 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.44 2wdh n THR 45 Cb 1.18 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 70.16 2wdh n THR 45 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2wdh h PRO 46 N 0.00 1.05 -2.84 1.09 0.13 -2.03 -3.24 132.00 126.16 2wdh h PRO 46 Ca 0.00 -0.09 -0.80 0.00 -0.87 0.00 0.00 66.00 64.24 2wdh h PRO 46 Cb 0.00 -0.22 -0.25 0.00 0.13 0.00 0.00 31.00 30.66 2wdh h PRO 46 CO 0.00 0.73 1.14 -0.25 -0.23 0.00 0.00 178.00 179.39 2wdh n ASP 47 N -4.38 6.53 -1.64 1.44 8.00 -1.26 -4.70 116.55 120.54 2wdh n ASP 47 Ca 0.08 -3.41 0.07 0.00 0.71 0.00 0.00 54.79 52.24 2wdh n ASP 47 Cb 0.07 -1.29 0.35 0.00 -0.02 0.00 0.00 41.12 40.22 2wdh n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wdh n TRP 48 N 1.44 1.67 -3.15 1.24 4.27 -1.23 -4.78 117.44 116.90 2wdh n TRP 48 Ca 0.35 -0.60 0.05 0.00 -3.89 0.00 0.00 57.50 53.41 2wdh n TRP 48 Cb 0.32 -0.38 -0.01 0.00 -1.36 0.00 0.00 31.31 29.88 2wdh n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2wdh s LEU 49 N -2.17 -0.45 0.12 5.67 2.96 -1.26 -1.30 118.68 122.25 2wdh s LEU 49 Ca 0.47 0.17 0.10 0.00 -0.22 0.00 0.00 54.13 54.65 2wdh s LEU 49 Cb 0.34 1.33 -0.04 0.00 0.50 0.00 0.00 46.19 48.33 2wdh s LEU 49 CO 0.17 -0.08 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.12 2wdh s LYS 50 N 2.95 1.30 -0.17 1.98 2.36 -1.02 -5.00 119.74 122.15 2wdh s LYS 50 Ca 0.11 -1.29 -0.06 0.00 -2.55 0.00 0.00 55.97 52.19 2wdh s LYS 50 Cb -0.06 -1.72 0.08 0.00 -1.05 0.00 0.00 37.83 35.08 2wdh s LYS 50 CO -0.16 0.40 0.34 0.08 1.55 0.00 0.00 175.35 177.56 2wdh s VAL 51 N -1.11 -0.53 -1.00 4.02 1.01 -1.26 -2.51 120.40 119.01 2wdh s VAL 51 Ca 0.11 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2wdh s VAL 51 Cb -0.10 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2wdh s VAL 51 CO 0.05 0.09 1.61 -0.62 0.00 0.00 0.00 175.10 176.24 2wdh s ASP 52 N 2.52 6.10 0.25 3.32 3.68 0.15 -4.82 116.67 127.86 2wdh s ASP 52 Ca -0.00 -1.27 -0.04 0.00 2.13 0.00 0.00 52.55 53.37 2wdh s ASP 52 Cb -0.12 -2.57 0.39 0.00 -1.45 0.00 0.00 42.92 39.17 2wdh s ASP 52 CO -0.11 -1.88 1.83 -0.37 0.13 0.00 0.00 175.17 174.78 2wdh h VAL 53 N 6.88 0.97 -1.12 1.11 -1.51 -1.94 -1.69 116.25 118.95 2wdh h VAL 53 Ca 0.18 -0.31 0.31 0.00 -1.23 0.00 0.00 66.70 65.65 2wdh h VAL 53 Cb 1.00 -0.01 -0.09 0.00 -2.13 0.00 0.00 31.29 30.06 2wdh h VAL 53 CO 1.36 0.16 0.74 -0.33 -1.23 0.00 0.00 177.57 178.28 2wdh h GLU 54 N 0.90 0.25 0.00 5.19 4.39 -2.00 -1.53 114.58 121.79 2wdh h GLU 54 Ca 0.40 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.91 2wdh h GLU 54 Cb 0.30 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2wdh h GLU 54 CO -0.22 0.16 -1.09 0.00 -1.16 0.00 0.00 179.01 176.71 2wdh h ARG 55 N 0.25 0.00 -1.60 2.33 2.47 -1.76 -3.32 114.38 112.76 2wdh h ARG 55 Ca 0.63 0.00 0.47 0.00 -1.26 0.00 0.00 59.98 59.82 2wdh h ARG 55 Cb 1.86 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 30.10 2wdh h ARG 55 CO -0.25 0.78 1.13 0.00 0.56 0.00 0.00 179.97 182.19 2wdh h ALA 56 N -0.60 3.40 0.03 0.04 0.00 -0.88 1.83 119.26 123.07 2wdh h ALA 56 Ca -0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wdh h ALA 56 Cb 1.12 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wdh h ALA 56 CO -0.16 -1.90 -0.01 0.00 0.00 0.00 0.00 179.25 177.17 2wdh h ARG 57 N 0.03 -0.03 0.00 0.00 2.47 -1.45 -3.17 114.38 112.23 2wdh h ARG 57 Ca 0.79 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.52 2wdh h ARG 57 Cb 3.04 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 31.37 2wdh h ARG 57 CO -0.09 0.43 0.00 0.98 0.56 0.00 0.00 179.97 181.85 2wdh n TYR 58 N -4.88 0.00 0.10 3.04 4.19 0.61 -0.59 117.16 119.63 2wdh n TYR 58 Ca -0.08 0.00 0.17 0.00 3.31 0.00 0.00 57.90 61.30 2wdh n TYR 58 Cb 0.24 -0.46 0.49 0.00 0.49 0.00 0.00 39.34 40.11 2wdh n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 2wdh h TRP 59 N 0.00 0.00 0.08 2.98 4.06 -1.51 1.61 115.95 123.18 2wdh h TRP 59 Ca 0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 2wdh h TRP 59 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2wdh h TRP 59 CO -0.37 0.00 -1.65 -0.07 -3.56 0.00 0.00 178.44 172.79 2wdh h LEU 60 N 0.00 0.28 -1.98 -4.49 3.38 -1.33 -2.97 115.31 108.19 2wdh h LEU 60 Ca 0.20 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wdh h LEU 60 Cb 1.78 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2wdh h LEU 60 CO -0.00 1.40 0.08 0.77 0.09 0.00 0.00 178.44 180.78 2wdh h SER 61 N 0.05 0.00 -0.06 -0.43 4.64 0.48 0.28 113.55 118.52 2wdh h SER 61 Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 2wdh h SER 61 Cb 2.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.07 2wdh h SER 61 CO 0.12 0.00 -0.50 1.33 -0.87 0.00 0.00 176.83 176.91 2wdh n VAL 62 N -2.60 2.24 -2.63 0.95 0.24 -1.01 -5.05 118.33 110.48 2wdh n VAL 62 Ca -0.02 -3.29 -0.05 0.00 -2.04 0.00 0.00 64.34 58.94 2wdh n VAL 62 Cb 0.12 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.15 2wdh n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdh n GLY 63 N -1.09 -4.78 2.34 7.63 0.00 0.10 -5.03 105.19 104.36 2wdh n GLY 63 Ca 0.21 1.56 -0.17 0.00 0.00 0.00 0.00 46.02 47.62 2wdh n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdh n ALA 64 N 1.83 1.30 -1.49 4.61 0.00 -1.12 -4.74 120.51 120.90 2wdh n ALA 64 Ca -0.36 -2.86 -0.58 0.00 0.00 0.00 0.00 53.44 49.63 2wdh n ALA 64 Cb 0.56 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 2wdh n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wdh n GLN 65 N 0.83 0.00 -3.96 0.00 1.13 -1.23 -4.02 117.38 110.13 2wdh n GLN 65 Ca 0.19 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 55.00 2wdh n GLN 65 Cb 0.62 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 29.61 2wdh n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2wdh s PRO 66 N 1.81 3.41 1.13 -1.09 0.04 -1.26 -3.00 135.00 136.05 2wdh s PRO 66 Ca 0.89 -0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.10 2wdh s PRO 66 Cb -1.27 -2.92 0.16 0.00 0.04 0.00 0.00 34.50 30.51 2wdh s PRO 66 CO 0.66 0.49 0.32 2.41 0.04 0.00 0.00 177.00 180.92 2wdh n THR 67 N -0.80 0.00 0.25 1.26 -1.04 -0.34 -4.71 114.28 108.90 2wdh n THR 67 Ca -0.08 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.05 61.48 2wdh n THR 67 Cb 0.55 -0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 68.28 2wdh n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wdh h ASP 68 N -2.25 -0.58 0.00 8.00 3.32 -1.98 -2.51 116.42 120.42 2wdh h ASP 68 Ca -0.56 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2wdh h ASP 68 Cb 1.35 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2wdh h ASP 68 CO 0.41 -0.17 0.00 1.07 -1.72 0.00 0.00 179.24 178.83 2wdh n THR 69 N -5.24 0.00 -0.08 0.35 5.66 -1.26 -2.55 114.28 111.17 2wdh n THR 69 Ca -0.09 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.84 2wdh n THR 69 Cb 0.28 -0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 68.22 2wdh n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wdh n ALA 70 N -0.94 0.52 0.17 1.79 0.00 -1.06 -4.24 120.51 116.75 2wdh n ALA 70 Ca 0.05 -0.46 0.16 0.00 0.00 0.00 0.00 53.44 53.19 2wdh n ALA 70 Cb 0.02 -0.05 0.75 0.00 0.00 0.00 0.00 19.45 20.17 2wdh n ALA 70 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2wdh h ARG 71 N -1.00 0.00 -0.73 0.00 0.11 -1.17 -0.97 114.38 110.62 2wdh h ARG 71 Ca -0.05 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.14 2wdh h ARG 71 Cb 0.64 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.64 2wdh h ARG 71 CO -0.03 0.00 0.34 -0.09 0.10 0.00 0.00 179.97 180.29 2wdh h ARG 72 N 0.00 0.54 0.00 0.08 2.43 -1.68 1.27 114.38 117.02 2wdh h ARG 72 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wdh h ARG 72 Cb 0.48 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2wdh h ARG 72 CO -0.00 0.35 0.00 -0.07 -1.51 0.00 0.00 179.97 178.74 2wdh h LEU 73 N 0.55 0.00 0.11 3.80 3.38 -1.36 -0.88 115.31 120.92 2wdh h LEU 73 Ca 0.38 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.12 2wdh h LEU 73 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wdh h LEU 73 CO -0.32 0.00 -1.14 -0.07 0.09 0.00 0.00 178.44 177.00 2wdh h LEU 74 N 0.00 0.38 -0.03 1.67 3.38 0.11 -2.89 115.31 117.92 2wdh h LEU 74 Ca 0.00 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 2wdh h LEU 74 Cb 0.67 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2wdh h LEU 74 CO 0.00 1.51 0.01 -0.09 0.09 0.00 0.00 178.44 179.96 2wdh h ARG 75 N -0.39 0.05 0.00 1.13 2.43 0.14 -0.30 114.38 117.43 2wdh h ARG 75 Ca -0.24 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2wdh h ARG 75 Cb 1.66 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2wdh h ARG 75 CO 0.07 0.21 0.00 0.94 -1.51 0.00 0.00 179.97 179.68 2wdh n GLN 76 N -4.98 0.24 -0.06 0.20 7.27 -0.34 0.14 117.38 119.85 2wdh n GLN 76 Ca -0.07 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.09 2wdh n GLN 76 Cb 0.11 -1.46 0.12 0.00 2.41 0.00 0.00 30.24 31.42 2wdh n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdh n ALA 77 N -0.96 2.22 -3.80 1.69 0.00 -0.28 -5.00 120.51 114.38 2wdh n ALA 77 Ca 0.05 -2.40 -0.32 0.00 0.00 0.00 0.00 53.44 50.78 2wdh n ALA 77 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.16 2wdh n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdh n GLY 78 N -1.30 -1.07 0.05 0.00 0.00 0.38 -4.87 105.19 98.37 2wdh n GLY 78 Ca 0.14 0.47 -0.03 0.00 0.00 0.00 0.00 46.02 46.60 2wdh n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdh n VAL 79 N -3.77 0.68 0.18 1.61 0.31 -0.31 -4.21 118.33 112.83 2wdh n VAL 79 Ca -0.17 -0.52 0.06 0.00 -0.01 0.00 0.00 64.34 63.71 2wdh n VAL 79 Cb 0.61 -0.41 0.23 0.00 -0.91 0.00 0.00 33.84 33.36 2wdh n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wdh n PHE 80 N -2.37 0.95 -1.72 3.52 3.01 -1.26 -4.89 117.46 114.69 2wdh n PHE 80 Ca -0.17 -0.38 -0.29 0.00 1.01 0.00 0.00 57.45 57.61 2wdh n PHE 80 Cb 0.79 -0.16 0.09 0.00 -0.01 0.00 0.00 39.48 40.20 2wdh n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2wdh s ARG 81 N -1.70 1.94 0.00 -1.08 3.52 -1.26 -5.00 118.95 115.37 2wdh s ARG 81 Ca 0.33 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 2wdh s ARG 81 Cb 0.21 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 2wdh s ARG 81 CO 0.17 -1.66 0.00 0.00 -0.81 0.00 0.00 175.30 173.00 2wdh n GLN 82 N -3.41 0.07 0.00 5.12 0.00 -1.26 -5.05 117.38 112.85 2wdh n GLN 82 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2wdh n GLN 82 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.77 2wdh n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wdh n GLU 83 N -0.45 0.00 0.00 2.61 -0.58 -1.26 -5.27 120.64 115.69 2wdh n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdh n GLU 83 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wdh n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65