#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh s GLN 3 N 0.00 2.36 -0.57 5.31 -0.21 -1.26 -4.35 119.66 120.93 2wdh s GLN 3 Ca 0.00 -1.52 -0.23 0.00 0.02 0.00 0.00 55.36 53.63 2wdh s GLN 3 Cb 0.00 -3.55 0.05 0.00 1.00 0.00 0.00 33.01 30.51 2wdh s GLN 3 CO 0.00 -0.90 0.89 0.71 -2.12 0.00 0.00 175.29 173.88 2wdh s TYR 4 N 1.29 2.81 -0.09 0.91 1.51 -1.03 -4.91 117.35 117.83 2wdh s TYR 4 Ca 0.03 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2wdh s TYR 4 Cb -0.22 -4.04 -0.03 0.00 -0.11 0.00 0.00 41.96 37.56 2wdh s TYR 4 CO -0.01 -1.37 -0.07 -0.47 -1.11 0.00 0.00 175.55 172.52 2wdh s TYR 5 N 3.76 2.94 0.04 2.71 6.14 -1.26 -2.28 117.35 129.40 2wdh s TYR 5 Ca 0.26 -0.09 -0.06 0.00 0.64 0.00 0.00 57.07 57.81 2wdh s TYR 5 Cb -0.15 -1.77 -0.01 0.00 0.42 0.00 0.00 41.96 40.46 2wdh s TYR 5 CO 0.16 0.22 0.12 0.20 0.64 0.00 0.00 175.55 176.89 2wdh s GLY 6 N -0.49 0.14 -0.30 8.97 0.00 -1.17 -4.51 107.32 109.95 2wdh s GLY 6 Ca 0.07 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.35 2wdh s GLY 6 CO 0.02 -0.62 -0.02 -1.59 0.00 0.00 0.00 173.10 170.88 2wdh s THR 7 N -2.56 2.31 0.32 0.90 2.01 -1.26 -1.39 115.64 115.96 2wdh s THR 7 Ca -0.05 -1.94 -0.27 0.00 0.31 0.00 0.00 61.69 59.74 2wdh s THR 7 Cb -0.01 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 2wdh s THR 7 CO -0.04 -0.30 0.99 -0.83 -0.69 0.00 0.00 174.62 173.75 2wdh s GLY 8 N 1.05 2.89 -0.15 4.40 0.00 0.04 -4.24 107.32 111.32 2wdh s GLY 8 Ca 0.00 0.63 -0.08 0.00 0.00 0.00 0.00 44.72 45.28 2wdh s GLY 8 CO -0.06 1.12 0.35 -1.60 0.00 0.00 0.00 173.10 172.92 2wdh s ARG 9 N -1.88 0.33 -0.29 2.90 3.52 -1.25 -0.55 118.95 121.73 2wdh s ARG 9 Ca 0.49 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 2wdh s ARG 9 Cb -0.23 -0.06 0.19 0.00 -1.56 0.00 0.00 34.95 33.30 2wdh s ARG 9 CO 0.29 -0.16 0.70 1.03 -0.81 0.00 0.00 175.30 176.35 2wdh s ARG 10 N 1.35 0.46 -0.15 5.12 0.52 -1.10 -4.62 118.95 120.54 2wdh s ARG 10 Ca -0.09 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 55.58 2wdh s ARG 10 Cb -0.09 0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.69 2wdh s ARG 10 CO -0.11 -0.77 0.19 1.17 0.02 0.00 0.00 175.30 175.80 2wdh n LYS 11 N 5.37 -3.84 -3.04 3.54 4.81 -1.26 -3.78 118.16 119.96 2wdh n LYS 11 Ca 0.04 2.96 -0.09 0.00 -0.87 0.00 0.00 58.31 60.34 2wdh n LYS 11 Cb 0.54 -4.14 -0.03 0.00 0.02 0.00 0.00 35.03 31.43 2wdh n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wdh n GLU 12 N 1.87 -0.98 -3.08 1.64 -0.58 -1.26 -4.64 120.64 113.61 2wdh n GLU 12 Ca -0.32 0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.46 2wdh n GLU 12 Cb 0.50 -1.03 -0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2wdh n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdh s ALA 13 N -3.42 -3.07 0.36 0.62 0.00 -1.25 -0.35 121.76 114.65 2wdh s ALA 13 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2wdh s ALA 13 Cb -0.00 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 2wdh s ALA 13 CO 0.29 -2.24 0.53 0.08 0.00 0.00 0.00 175.76 174.42 2wdh s VAL 14 N 2.09 4.21 -0.16 0.00 1.01 -0.61 -2.70 120.40 124.24 2wdh s VAL 14 Ca 0.16 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2wdh s VAL 14 Cb -0.03 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2wdh s VAL 14 CO -0.13 -0.25 0.40 0.00 0.00 0.00 0.00 175.10 175.12 2wdh s ALA 15 N -2.28 -1.01 0.05 5.51 0.00 0.28 -0.72 121.76 123.59 2wdh s ALA 15 Ca 0.45 1.43 -0.20 0.00 0.00 0.00 0.00 51.96 53.63 2wdh s ALA 15 Cb -0.10 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 2wdh s ALA 15 CO 0.33 -0.25 0.59 1.03 0.00 0.00 0.00 175.76 177.47 2wdh s ARG 16 N 1.18 4.27 -0.15 0.00 0.52 0.54 -0.78 118.95 124.52 2wdh s ARG 16 Ca -0.08 0.77 0.02 0.00 -0.52 0.00 0.00 55.73 55.92 2wdh s ARG 16 Cb -0.07 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.13 2wdh s ARG 16 CO -0.10 0.54 -0.21 0.08 0.02 0.00 0.00 175.30 175.63 2wdh s VAL 17 N -0.78 2.03 -0.18 3.52 1.01 -0.48 -1.56 120.40 123.96 2wdh s VAL 17 Ca 0.30 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2wdh s VAL 17 Cb -0.19 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2wdh s VAL 17 CO 0.19 0.54 -0.11 -0.36 0.00 0.00 0.00 175.10 175.36 2wdh s PHE 18 N 0.95 2.87 0.02 5.22 2.99 0.73 -3.07 117.98 127.69 2wdh s PHE 18 Ca -0.04 -0.97 0.08 0.00 0.00 0.00 0.00 56.93 56.00 2wdh s PHE 18 Cb -0.15 -1.97 -0.02 0.00 0.00 0.00 0.00 43.02 40.88 2wdh s PHE 18 CO -0.05 -0.48 -0.23 -0.51 -0.00 0.00 0.00 175.22 173.95 2wdh s LEU 19 N 1.03 2.11 -0.22 -0.37 1.43 -0.96 0.12 118.68 121.82 2wdh s LEU 19 Ca -0.01 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2wdh s LEU 19 Cb -0.15 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 44.98 2wdh s LEU 19 CO -0.02 0.24 0.53 -0.13 0.23 0.00 0.00 176.35 177.21 2wdh s ARG 20 N -0.91 0.53 0.50 1.70 3.00 -1.22 -2.48 118.95 120.08 2wdh s ARG 20 Ca 0.09 0.98 -0.21 0.00 0.00 0.00 0.00 55.73 56.59 2wdh s ARG 20 Cb -0.09 0.05 -0.09 0.00 0.00 0.00 0.00 34.95 34.82 2wdh s ARG 20 CO 0.01 -0.15 0.83 -2.30 0.00 0.00 0.00 175.30 173.69 2wdh n PRO 21 N 4.27 0.94 -3.81 3.54 -0.02 -1.25 0.14 135.00 138.80 2wdh n PRO 21 Ca -0.22 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2wdh n PRO 21 Cb 0.57 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2wdh n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdh n GLY 22 N 1.42 -0.62 0.36 -1.23 0.00 0.37 -4.57 105.19 100.91 2wdh n GLY 22 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2wdh n GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wdh h ASN 23 N 0.00 -1.18 0.00 1.61 -0.26 -1.85 -3.32 115.58 110.58 2wdh h ASN 23 Ca 0.00 0.29 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2wdh h ASN 23 Cb 0.00 0.66 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2wdh h ASN 23 CO 0.00 -0.30 0.00 0.61 -1.06 0.00 0.00 177.43 176.68 2wdh n GLY 24 N -1.51 3.73 1.28 2.83 0.00 -1.19 -4.39 105.19 105.93 2wdh n GLY 24 Ca 0.11 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2wdh n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdh n LYS 25 N 0.00 0.00 -3.89 1.61 2.85 -1.26 -4.31 118.16 113.17 2wdh n LYS 25 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 2wdh n LYS 25 Cb 0.00 -0.52 -0.13 0.00 -0.65 0.00 0.00 35.03 33.72 2wdh n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2wdh s VAL 26 N 0.69 3.71 0.06 0.58 1.01 -1.26 -3.72 120.40 121.46 2wdh s VAL 26 Ca 0.35 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2wdh s VAL 26 Cb -0.50 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2wdh s VAL 26 CO 0.26 0.40 -0.02 -0.89 0.00 0.00 0.00 175.10 174.84 2wdh s THR 27 N 1.46 3.91 -0.18 3.92 2.01 -0.16 -0.33 115.64 126.26 2wdh s THR 27 Ca 0.05 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 2wdh s THR 27 Cb -0.15 -2.82 0.06 0.00 0.01 0.00 0.00 72.50 69.61 2wdh s THR 27 CO -0.01 0.20 0.45 -0.69 -0.69 0.00 0.00 174.62 173.89 2wdh s VAL 28 N -1.22 -0.02 -1.47 3.82 1.01 0.20 0.26 120.40 122.98 2wdh s VAL 28 Ca 0.23 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2wdh s VAL 28 Cb -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2wdh s VAL 28 CO 0.15 0.03 0.42 0.59 0.00 0.00 0.00 175.10 176.29 2wdh n ASN 29 N 4.17 -0.62 -3.30 3.32 4.13 0.17 -2.25 115.26 120.88 2wdh n ASN 29 Ca -0.22 -1.04 -0.14 0.00 1.68 0.00 0.00 54.58 54.86 2wdh n ASN 29 Cb 0.56 -2.84 0.04 0.00 -1.54 0.00 0.00 39.78 36.00 2wdh n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wdh n GLY 30 N -1.97 -1.16 3.63 7.41 0.00 -1.26 -5.01 105.19 106.82 2wdh n GLY 30 Ca -0.25 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 2wdh n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdh s GLN 31 N -4.32 0.13 0.30 1.61 0.74 -0.95 -5.10 119.66 112.07 2wdh s GLN 31 Ca 0.32 -0.03 -0.28 0.00 0.05 0.00 0.00 55.36 55.43 2wdh s GLN 31 Cb -0.06 0.06 -0.09 0.00 1.10 0.00 0.00 33.01 34.01 2wdh s GLN 31 CO 0.77 -0.05 1.00 0.34 -0.55 0.00 0.00 175.29 176.80 2wdh s ASP 32 N -1.78 7.29 0.06 6.67 -1.08 -1.26 -0.63 116.67 125.94 2wdh s ASP 32 Ca 0.10 2.02 -0.13 0.00 -0.52 0.00 0.00 52.55 54.02 2wdh s ASP 32 Cb -0.01 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 2wdh s ASP 32 CO -0.04 -0.11 1.23 0.15 0.52 0.00 0.00 175.17 176.92 2wdh h PHE 33 N 3.47 -0.76 0.00 -5.34 3.57 -1.04 0.63 116.94 117.47 2wdh h PHE 33 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2wdh h PHE 33 Cb 1.20 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2wdh h PHE 33 CO 0.60 -0.18 0.00 0.09 -2.23 0.00 0.00 178.31 176.59 2wdh n ASN 34 N -3.88 1.28 0.00 0.41 4.13 -1.26 -2.28 115.26 113.65 2wdh n ASN 34 Ca -0.00 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 55.10 2wdh n ASN 34 Cb 0.13 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 2wdh n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2wdh n GLU 35 N 0.52 0.00 0.17 3.52 2.13 0.16 -4.40 120.64 122.74 2wdh n GLU 35 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 2wdh n GLU 35 Cb 0.23 -0.82 0.14 0.00 0.27 0.00 0.00 31.44 31.26 2wdh n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2wdh h TYR 36 N 0.00 0.00 -1.17 4.31 3.20 -1.24 -3.08 116.97 118.99 2wdh h TYR 36 Ca 0.00 0.00 -0.62 0.00 3.14 0.00 0.00 58.73 61.25 2wdh h TYR 36 Cb 0.88 0.00 -0.37 0.00 1.54 0.00 0.00 36.73 38.78 2wdh h TYR 36 CO 0.00 0.34 -0.10 1.19 -1.64 0.00 0.00 178.16 177.95 2wdh n PHE 37 N -3.23 3.06 -2.16 -3.82 0.99 -0.97 -5.00 117.46 106.33 2wdh n PHE 37 Ca 0.02 -2.64 -0.40 0.00 -0.00 0.00 0.00 57.45 54.43 2wdh n PHE 37 Cb 0.63 -0.68 -0.03 0.00 -1.00 0.00 0.00 39.48 38.40 2wdh n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2wdh s GLN 38 N -3.71 2.97 0.00 -1.08 -0.44 -1.17 -3.37 119.66 112.87 2wdh s GLN 38 Ca 0.54 0.67 0.00 0.00 -2.50 0.00 0.00 55.36 54.07 2wdh s GLN 38 Cb 0.44 -4.27 0.00 0.00 -1.64 0.00 0.00 33.01 27.54 2wdh s GLN 38 CO -0.09 -2.32 0.00 0.41 0.50 0.00 0.00 175.29 173.78 2wdh n GLY 39 N 5.51 3.09 3.58 2.59 0.00 -1.26 -5.05 105.19 113.65 2wdh n GLY 39 Ca 0.18 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 2wdh n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdh n LEU 40 N 0.00 3.16 0.26 0.99 4.77 -1.22 -4.84 117.00 120.12 2wdh n LEU 40 Ca 0.00 0.39 0.17 0.00 -0.03 0.00 0.00 56.01 56.55 2wdh n LEU 40 Cb 0.00 -1.48 0.81 0.00 -2.33 0.00 0.00 43.42 40.42 2wdh n LEU 40 CO 0.00 -0.54 1.01 0.58 -1.33 0.00 0.00 177.39 177.11 2wdh h VAL 41 N 6.82 0.00 -0.01 4.08 2.07 -1.97 -1.44 116.25 125.80 2wdh h VAL 41 Ca -0.40 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wdh h VAL 41 Cb 1.26 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2wdh h VAL 41 CO 0.97 0.00 -0.19 -1.14 0.02 0.00 0.00 177.57 177.23 2wdh n ARG 42 N -2.86 1.15 -0.04 1.57 0.63 -1.26 -4.47 116.66 111.38 2wdh n ARG 42 Ca -0.00 -0.71 -0.02 0.00 -0.92 0.00 0.00 57.85 56.20 2wdh n ARG 42 Cb 0.19 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.60 2wdh n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdh h ALA 43 N 3.92 -0.26 0.00 5.13 0.00 -1.59 -0.92 119.26 125.54 2wdh h ALA 43 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wdh h ALA 43 Cb 0.54 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2wdh h ALA 43 CO 0.00 -0.31 0.00 1.33 0.00 0.00 0.00 179.25 180.27 2wdh n VAL 44 N -3.18 0.00 0.08 0.00 0.24 -1.26 -2.19 118.33 112.02 2wdh n VAL 44 Ca -0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 2wdh n VAL 44 Cb 0.05 -0.61 -0.15 0.00 -1.47 0.00 0.00 33.84 31.66 2wdh n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdh h ALA 45 N 0.80 0.15 -0.75 2.33 0.00 -1.48 -3.36 119.26 116.95 2wdh h ALA 45 Ca 0.00 -1.07 0.15 0.00 0.00 0.00 0.00 54.91 54.00 2wdh h ALA 45 Cb 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2wdh h ALA 45 CO 0.00 1.02 0.50 0.00 0.00 0.00 0.00 179.25 180.77 2wdh h ALA 46 N 0.32 2.15 -0.02 0.00 0.00 -1.62 -0.04 119.26 120.04 2wdh h ALA 46 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wdh h ALA 46 Cb 2.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2wdh h ALA 46 CO 0.19 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.36 2wdh n LEU 47 N -4.47 0.96 -0.04 0.00 4.32 -1.26 -4.19 117.00 112.33 2wdh n LEU 47 Ca 0.14 -0.33 0.04 0.00 -0.02 0.00 0.00 56.01 55.84 2wdh n LEU 47 Cb 0.55 -0.01 0.41 0.00 -1.62 0.00 0.00 43.42 42.75 2wdh n LEU 47 CO 0.33 0.17 1.18 -0.08 -1.22 0.00 0.00 177.39 177.76 2wdh h GLU 48 N 1.47 0.58 0.00 3.23 4.57 -1.16 -2.12 114.58 121.15 2wdh h GLU 48 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wdh h GLU 48 Cb 0.31 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2wdh h GLU 48 CO 0.00 0.38 0.00 -1.00 -1.18 0.00 0.00 179.01 177.21 2wdh h PRO 49 N 0.60 0.00 -0.16 0.92 0.13 -1.78 -2.73 132.00 128.98 2wdh h PRO 49 Ca 0.18 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.15 2wdh h PRO 49 Cb -0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.13 2wdh h PRO 49 CO -0.04 0.00 -0.54 -0.07 -0.23 0.00 0.00 178.00 177.12 2wdh h LEU 50 N 0.00 0.75 -2.91 1.56 3.38 -1.70 -3.11 115.31 113.27 2wdh h LEU 50 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2wdh h LEU 50 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2wdh h LEU 50 CO 0.00 1.22 0.02 0.03 0.09 0.00 0.00 178.44 179.80 2wdh h ARG 51 N 0.31 0.00 -0.05 1.13 -0.00 -1.63 1.03 114.38 115.18 2wdh h ARG 51 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 2wdh h ARG 51 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.13 2wdh h ARG 51 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.97 180.08 2wdh n ALA 52 N -2.06 2.59 0.00 0.04 0.00 -1.18 -2.90 120.51 117.00 2wdh n ALA 52 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2wdh n ALA 52 Cb 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2wdh n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdh n VAL 53 N -0.29 0.00 0.00 0.00 0.24 0.55 -5.00 118.33 113.83 2wdh n VAL 53 Ca 0.18 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2wdh n VAL 53 Cb 0.22 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2wdh n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wdh n ASP 54 N -0.07 0.00 -2.85 -1.34 8.00 0.33 -5.06 116.55 115.56 2wdh n ASP 54 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2wdh n ASP 54 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2wdh n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdh n ALA 55 N 0.00 4.24 0.27 2.24 0.00 -1.23 -4.43 120.51 121.60 2wdh n ALA 55 Ca 0.00 -1.55 0.16 0.00 0.00 0.00 0.00 53.44 52.05 2wdh n ALA 55 Cb 0.00 -2.74 0.59 0.00 0.00 0.00 0.00 19.45 17.31 2wdh n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdh h LEU 56 N 7.44 0.00 -4.91 0.00 6.46 -1.95 -3.37 115.31 118.97 2wdh h LEU 56 Ca 0.34 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.92 2wdh h LEU 56 Cb 0.36 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.16 2wdh h LEU 56 CO 1.06 0.00 -0.25 0.61 -0.62 0.00 0.00 178.44 179.24 2wdh n GLY 57 N 0.23 1.21 0.12 3.75 0.00 -1.26 -4.94 105.19 104.29 2wdh n GLY 57 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2wdh n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdh n ARG 58 N -0.84 2.63 -4.30 1.61 1.74 -1.25 -3.92 116.66 112.32 2wdh n ARG 58 Ca -0.10 -0.42 -0.23 0.00 -0.77 0.00 0.00 57.85 56.34 2wdh n ARG 58 Cb 0.82 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 31.21 2wdh n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wdh s PHE 59 N -1.03 1.77 -0.74 -1.55 0.40 -1.25 0.14 117.98 115.72 2wdh s PHE 59 Ca 0.05 -0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 2wdh s PHE 59 Cb 0.05 -0.94 0.19 0.00 0.51 0.00 0.00 43.02 42.83 2wdh s PHE 59 CO 0.15 0.24 0.60 -0.51 0.70 0.00 0.00 175.22 176.40 2wdh s ASP 60 N -2.20 5.68 -0.52 1.36 1.01 0.37 -3.18 116.67 119.18 2wdh s ASP 60 Ca 0.10 -3.13 -0.28 0.00 0.71 0.00 0.00 52.55 49.94 2wdh s ASP 60 Cb -0.08 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.95 2wdh s ASP 60 CO 0.05 -0.33 1.34 0.00 0.21 0.00 0.00 175.17 176.44 2wdh s ALA 61 N -0.48 2.94 -0.45 5.23 0.00 -1.24 -3.40 121.76 124.36 2wdh s ALA 61 Ca 0.21 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 2wdh s ALA 61 Cb -0.15 -4.03 0.03 0.00 0.00 0.00 0.00 23.12 18.97 2wdh s ALA 61 CO -0.07 -2.68 0.56 -0.47 0.00 0.00 0.00 175.76 173.10 2wdh s TYR 62 N 5.51 3.10 -0.02 0.00 5.04 0.32 -0.99 117.35 130.32 2wdh s TYR 62 Ca 0.52 -0.29 0.07 0.00 -2.44 0.00 0.00 57.07 54.94 2wdh s TYR 62 Cb -0.10 -3.21 -0.02 0.00 0.35 0.00 0.00 41.96 38.97 2wdh s TYR 62 CO 0.28 -0.84 -0.23 0.42 -1.34 0.00 0.00 175.55 173.83 2wdh s ILE 63 N 2.51 1.85 -0.26 3.14 1.01 0.14 -0.19 121.20 129.40 2wdh s ILE 63 Ca 0.17 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2wdh s ILE 63 Cb -0.16 -1.54 0.05 0.00 0.01 0.00 0.00 42.46 40.82 2wdh s ILE 63 CO 0.15 0.51 -0.09 0.28 0.00 0.00 0.00 174.94 175.79 2wdh s THR 64 N -0.56 2.36 -0.09 2.92 -1.32 -0.60 0.42 115.64 118.78 2wdh s THR 64 Ca 0.09 -1.50 -0.01 0.00 -1.21 0.00 0.00 61.69 59.05 2wdh s THR 64 Cb -0.09 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 2wdh s THR 64 CO -0.01 0.01 -0.03 0.54 -2.21 0.00 0.00 174.62 172.93 2wdh s VAL 65 N 1.16 4.06 -0.10 5.08 0.11 -1.26 -0.34 120.40 129.10 2wdh s VAL 65 Ca -0.07 -0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 2wdh s VAL 65 Cb -0.19 -2.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.99 2wdh s VAL 65 CO -0.05 0.58 0.25 -0.13 -3.33 0.00 0.00 175.10 172.43 2wdh s ARG 66 N -0.64 0.24 0.00 1.54 0.52 0.10 -4.93 118.95 115.79 2wdh s ARG 66 Ca 0.10 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 2wdh s ARG 66 Cb -0.12 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.34 2wdh s ARG 66 CO 0.02 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2wdh n GLY 67 N 3.70 2.59 7.00 -3.53 0.00 -1.26 -1.57 105.19 112.12 2wdh n GLY 67 Ca -0.20 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2wdh n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdh n GLY 68 N 1.08 1.52 3.33 -0.02 0.00 0.53 -4.34 105.19 107.29 2wdh n GLY 68 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2wdh n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdh s GLY 69 N -0.03 1.76 0.44 -0.02 0.00 -1.26 -5.04 107.32 103.17 2wdh s GLY 69 Ca 0.00 -1.88 0.23 0.00 0.00 0.00 0.00 44.72 43.06 2wdh s GLY 69 CO 0.00 -1.63 1.82 0.50 0.00 0.00 0.00 173.10 173.79 2wdh h LYS 70 N 2.36 0.28 0.05 2.90 1.57 -2.00 -2.25 116.57 119.48 2wdh h LYS 70 Ca -0.39 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 2wdh h LYS 70 Cb 1.24 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.50 2wdh h LYS 70 CO 0.62 0.18 -0.40 1.03 -0.57 0.00 0.00 179.45 180.32 2wdh h SER 71 N 0.29 0.27 -0.08 0.86 0.87 -1.97 -2.33 113.55 111.46 2wdh h SER 71 Ca 0.53 -0.90 0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2wdh h SER 71 Cb 1.53 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2wdh h SER 71 CO -0.18 1.14 0.09 1.23 -0.53 0.00 0.00 176.83 178.59 2wdh h GLY 72 N -0.56 0.00 1.24 5.77 0.00 -1.79 0.85 103.07 108.59 2wdh h GLY 72 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.95 2wdh h GLY 72 CO 0.08 0.00 -1.34 1.46 0.00 0.00 0.00 176.54 176.73 2wdh h GLN 73 N 0.00 0.60 -0.66 4.80 4.20 -1.44 -2.16 115.11 120.45 2wdh h GLN 73 Ca 0.04 -0.88 -0.01 0.00 0.06 0.00 0.00 58.65 57.86 2wdh h GLN 73 Cb 0.22 0.30 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2wdh h GLN 73 CO -0.00 1.41 0.36 0.82 -0.67 0.00 0.00 178.83 180.75 2wdh h ILE 74 N 0.23 1.20 -0.26 2.54 2.04 -0.35 0.37 117.51 123.29 2wdh h ILE 74 Ca -0.22 -0.49 -0.13 0.00 1.00 0.00 0.00 64.86 65.02 2wdh h ILE 74 Cb 2.02 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2wdh h ILE 74 CO 0.26 0.22 -0.37 0.44 0.00 0.00 0.00 178.15 178.70 2wdh h ASP 75 N 0.92 0.62 0.62 1.72 3.32 -1.00 -2.66 116.42 119.95 2wdh h ASP 75 Ca 0.23 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2wdh h ASP 75 Cb 0.02 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2wdh h ASP 75 CO -0.04 0.93 -0.30 0.00 -1.72 0.00 0.00 179.24 178.11 2wdh h ALA 76 N 1.11 -0.83 -0.86 3.45 0.00 -0.43 -3.05 119.26 118.65 2wdh h ALA 76 Ca 0.05 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.97 2wdh h ALA 76 Cb 0.86 0.32 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2wdh h ALA 76 CO 0.07 -0.84 0.08 0.82 0.00 0.00 0.00 179.25 179.38 2wdh h ILE 77 N -1.07 0.23 -0.99 0.00 2.04 -0.35 0.20 117.51 117.57 2wdh h ILE 77 Ca -0.08 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.88 2wdh h ILE 77 Cb 0.68 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.79 2wdh h ILE 77 CO 0.14 0.02 0.61 0.50 0.00 0.00 0.00 178.15 179.42 2wdh h LYS 78 N 0.11 0.87 0.14 2.37 3.64 -1.38 -1.09 116.57 121.23 2wdh h LYS 78 Ca 0.51 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 2wdh h LYS 78 Cb 0.99 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2wdh h LYS 78 CO -0.74 0.58 -0.07 1.25 -2.27 0.00 0.00 179.45 178.19 2wdh h LEU 79 N 0.90 -0.16 -0.80 5.20 7.12 -0.51 -2.48 115.31 124.57 2wdh h LEU 79 Ca 0.52 -0.32 0.08 0.00 0.13 0.00 0.00 57.88 58.28 2wdh h LEU 79 Cb 0.62 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.72 2wdh h LEU 79 CO -0.31 0.26 0.47 1.23 -0.13 0.00 0.00 178.44 179.97 2wdh h GLY 80 N -0.63 1.23 0.99 3.75 0.00 -1.16 0.47 103.07 107.72 2wdh h GLY 80 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2wdh h GLY 80 CO 0.03 0.17 0.05 -2.22 0.00 0.00 0.00 176.54 174.57 2wdh h ILE 81 N 0.82 1.03 0.00 2.60 1.08 -1.23 0.68 117.51 122.48 2wdh h ILE 81 Ca 0.37 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.78 2wdh h ILE 81 Cb 0.28 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2wdh h ILE 81 CO -0.22 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.27 2wdh n ALA 82 N -2.12 2.00 0.06 1.87 0.00 -0.89 -2.20 120.51 119.23 2wdh n ALA 82 Ca -0.05 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2wdh n ALA 82 Cb 0.03 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 2wdh n ALA 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdh n ARG 83 N -1.63 0.62 0.06 0.00 0.63 0.16 -3.46 116.66 113.05 2wdh n ARG 83 Ca 0.05 0.03 -0.12 0.00 -0.92 0.00 0.00 57.85 56.88 2wdh n ARG 83 Cb 0.27 -1.73 -0.13 0.00 0.45 0.00 0.00 32.46 31.32 2wdh n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdh h ALA 84 N 1.95 0.30 0.00 5.13 0.00 0.81 -2.98 119.26 124.47 2wdh h ALA 84 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2wdh h ALA 84 Cb 1.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wdh h ALA 84 CO 0.00 1.18 -0.18 1.47 0.00 0.00 0.00 179.25 181.73 2wdh n LEU 85 N -3.39 0.40 0.04 0.00 -0.00 -1.05 -1.10 117.00 111.89 2wdh n LEU 85 Ca -0.09 0.39 0.06 0.00 -0.00 0.00 0.00 56.01 56.37 2wdh n LEU 85 Cb 1.00 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 43.98 2wdh n LEU 85 CO 0.50 -0.03 -0.35 0.55 -0.00 0.00 0.00 177.39 178.05 2wdh n VAL 86 N -1.78 0.75 -0.06 1.47 3.14 -1.22 -3.63 118.33 116.99 2wdh n VAL 86 Ca 0.06 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.78 2wdh n VAL 86 Cb 0.38 -0.42 -0.04 0.00 -1.06 0.00 0.00 33.84 32.70 2wdh n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2wdh h GLN 87 N 0.00 0.00 -1.87 1.45 4.15 -1.39 -3.21 115.11 114.24 2wdh h GLN 87 Ca -0.10 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.96 2wdh h GLN 87 Cb 1.31 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.86 2wdh h GLN 87 CO 0.02 0.31 0.22 0.66 -1.93 0.00 0.00 178.83 178.10 2wdh n TYR 88 N -4.72 1.15 0.00 3.99 4.02 -0.25 -4.28 117.16 117.07 2wdh n TYR 88 Ca -0.04 -1.79 0.00 0.00 -0.01 0.00 0.00 57.90 56.06 2wdh n TYR 88 Cb 0.16 -1.24 0.00 0.00 -0.02 0.00 0.00 39.34 38.24 2wdh n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wdh n ASN 89 N 1.09 0.00 -0.76 7.72 3.02 -1.24 -4.89 115.26 120.20 2wdh n ASN 89 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2wdh n ASN 89 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2wdh n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wdh n PRO 90 N 0.00 0.30 -0.09 3.52 -0.04 -1.21 -1.76 135.00 135.72 2wdh n PRO 90 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2wdh n PRO 90 Cb 0.00 -1.25 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 2wdh n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdh n ASP 91 N 0.61 1.07 -1.67 3.54 8.00 -1.26 -4.50 116.55 122.34 2wdh n ASP 91 Ca 0.00 -0.02 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 2wdh n ASP 91 Cb 0.11 0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 41.93 2wdh n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wdh n TYR 92 N -2.69 0.00 -0.02 1.24 4.02 -0.72 -3.61 117.16 115.36 2wdh n TYR 92 Ca -0.29 -0.89 -0.10 0.00 -0.01 0.00 0.00 57.90 56.61 2wdh n TYR 92 Cb 1.03 -0.60 -0.14 0.00 -0.02 0.00 0.00 39.34 39.60 2wdh n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wdh n ARG 93 N 1.74 0.65 -1.56 -0.72 3.00 -1.26 -3.77 116.66 114.74 2wdh n ARG 93 Ca 0.06 0.28 -0.40 0.00 -0.00 0.00 0.00 57.85 57.78 2wdh n ARG 93 Cb 0.47 -1.77 -0.02 0.00 0.00 0.00 0.00 32.46 31.14 2wdh n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdh n ALA 94 N -2.62 7.05 0.00 5.13 0.00 -1.24 -3.01 120.51 125.83 2wdh n ALA 94 Ca -0.20 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2wdh n ALA 94 Cb 1.06 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2wdh n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wdh n LYS 95 N 3.50 0.00 0.06 0.00 -0.00 -1.26 -4.88 118.16 115.58 2wdh n LYS 95 Ca 0.70 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.87 2wdh n LYS 95 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.24 2wdh n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wdh h LEU 96 N 0.00 0.60 0.00 -5.58 5.85 -1.63 -2.39 115.31 112.16 2wdh h LEU 96 Ca 0.00 -0.46 -0.21 0.00 0.84 0.00 0.00 57.88 58.05 2wdh h LEU 96 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2wdh h LEU 96 CO 0.00 1.26 -1.33 1.17 -0.34 0.00 0.00 178.44 179.20 2wdh n LYS 97 N -3.78 0.54 0.38 1.25 4.81 -1.19 0.25 118.16 120.42 2wdh n LYS 97 Ca -0.07 0.48 -0.17 0.00 -0.87 0.00 0.00 58.31 57.68 2wdh n LYS 97 Cb 0.83 -1.67 -0.08 0.00 0.02 0.00 0.00 35.03 34.13 2wdh n LYS 97 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2wdh h PRO 98 N -1.00 -1.00 0.00 1.64 0.11 -1.77 0.27 132.00 130.25 2wdh h PRO 98 Ca -0.32 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wdh h PRO 98 Cb 1.17 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2wdh h PRO 98 CO -0.19 -0.67 0.00 -0.11 -0.21 0.00 0.00 178.00 176.82 2wdh n LEU 99 N -5.07 0.00 -2.71 2.35 -0.00 -0.90 -4.90 117.00 105.77 2wdh n LEU 99 Ca -0.13 0.38 -0.02 0.00 -0.00 0.00 0.00 56.01 56.24 2wdh n LEU 99 Cb 0.43 -0.38 -0.02 0.00 -0.00 0.00 0.00 43.42 43.45 2wdh n LEU 99 CO 0.30 -0.28 -0.56 0.61 -0.00 0.00 0.00 177.39 177.46 2wdh n GLY 100 N -0.68 -4.38 0.00 -3.96 0.00 0.08 -4.98 105.19 91.27 2wdh n GLY 100 Ca 0.03 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.05 2wdh n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdh n PHE 101 N 1.22 0.00 -3.62 1.61 0.99 0.69 -4.94 117.46 113.41 2wdh n PHE 101 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 56.98 2wdh n PHE 101 Cb 0.30 0.02 -0.12 0.00 -1.00 0.00 0.00 39.48 38.67 2wdh n PHE 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2wdh s LEU 102 N 0.00 2.15 -0.29 4.37 1.98 -1.11 -4.74 118.68 121.04 2wdh s LEU 102 Ca 0.00 -2.55 -0.21 0.00 -2.89 0.00 0.00 54.13 48.48 2wdh s LEU 102 Cb 0.00 -0.82 0.15 0.00 0.66 0.00 0.00 46.19 46.18 2wdh s LEU 102 CO 0.00 -0.27 1.09 -0.89 -1.89 0.00 0.00 176.35 174.39 2wdh s THR 103 N 0.50 0.00 0.29 3.68 2.01 -1.26 -5.02 115.64 115.85 2wdh s THR 103 Ca 0.19 0.00 0.17 0.00 0.31 0.00 0.00 61.69 62.36 2wdh s THR 103 Cb -0.22 -1.00 0.28 0.00 0.01 0.00 0.00 72.50 71.58 2wdh s THR 103 CO -0.01 0.00 1.21 0.54 -0.69 0.00 0.00 174.62 175.67 2wdh n ARG 104 N 2.71 -0.04 -3.54 4.92 5.12 -1.26 -4.85 116.66 119.72 2wdh n ARG 104 Ca -0.15 1.05 -0.29 0.00 -1.93 0.00 0.00 57.85 56.53 2wdh n ARG 104 Cb 0.57 -1.90 0.02 0.00 -1.16 0.00 0.00 32.46 29.99 2wdh n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdh n ASP 105 N -4.67 -5.59 0.00 0.55 10.43 -1.26 -4.52 116.55 111.49 2wdh n ASP 105 Ca 0.29 -0.40 0.02 0.00 2.57 0.00 0.00 54.79 57.27 2wdh n ASP 105 Cb 1.02 -2.18 0.12 0.00 1.84 0.00 0.00 41.12 41.91 2wdh n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wdh n ALA 106 N -1.21 2.05 -2.12 2.24 0.00 -1.26 -4.63 120.51 115.57 2wdh n ALA 106 Ca -0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2wdh n ALA 106 Cb 0.66 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2wdh n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wdh s ARG 107 N -2.00 4.23 -0.00 0.00 0.52 -1.26 -5.01 118.95 115.43 2wdh s ARG 107 Ca 0.06 2.07 -0.03 0.00 -0.52 0.00 0.00 55.73 57.31 2wdh s ARG 107 Cb 0.03 -3.74 -0.00 0.00 0.52 0.00 0.00 34.95 31.76 2wdh s ARG 107 CO 0.04 -0.71 0.05 0.14 0.02 0.00 0.00 175.30 174.85 2wdh s VAL 108 N 3.11 0.06 -0.66 3.52 -7.23 -1.26 -4.64 120.40 113.29 2wdh s VAL 108 Ca 0.68 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 60.06 2wdh s VAL 108 Cb -0.32 -0.24 -0.14 0.00 0.56 0.00 0.00 36.38 36.24 2wdh s VAL 108 CO 0.27 -0.27 2.48 0.52 -0.31 0.00 0.00 175.10 177.80 2wdh n VAL 109 N 2.14 -0.01 -2.14 1.32 0.31 -1.26 -4.86 118.33 113.84 2wdh n VAL 109 Ca -0.19 -0.40 -0.33 0.00 -0.01 0.00 0.00 64.34 63.41 2wdh n VAL 109 Cb 0.57 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2wdh n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wdh s GLU 110 N 8.18 3.36 0.67 5.55 -1.05 -1.26 -4.98 118.70 129.17 2wdh s GLU 110 Ca 1.15 1.30 -0.12 0.00 -0.15 0.00 0.00 54.97 57.15 2wdh s GLU 110 Cb -0.72 -2.03 -0.10 0.00 -0.44 0.00 0.00 34.13 30.83 2wdh s GLU 110 CO 0.39 -0.79 -0.52 -2.13 0.95 0.00 0.00 175.26 173.16 2wdh n ARG 111 N -1.78 0.00 -4.51 -4.83 0.63 -1.26 -4.89 116.66 100.02 2wdh n ARG 111 Ca 0.09 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.70 2wdh n ARG 111 Cb 0.52 -0.70 -0.11 0.00 0.45 0.00 0.00 32.46 32.63 2wdh n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wdh s LYS 112 N -1.33 2.52 0.55 -0.14 2.20 -1.26 -4.45 119.74 117.83 2wdh s LYS 112 Ca 0.29 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2wdh s LYS 112 Cb -0.15 -2.47 0.07 0.00 -1.51 0.00 0.00 37.83 33.77 2wdh s LYS 112 CO 0.57 0.60 0.55 1.63 -0.36 0.00 0.00 175.35 178.34 2wdh n LYS 113 N 1.65 0.66 -3.68 4.03 4.01 -1.26 -4.85 118.16 118.73 2wdh n LYS 113 Ca -0.16 -3.24 -0.35 0.00 -0.51 0.00 0.00 58.31 54.05 2wdh n LYS 113 Cb 0.52 0.13 -0.05 0.00 -0.51 0.00 0.00 35.03 35.12 2wdh n LYS 113 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2wdh s TYR 114 N -2.61 3.58 -1.63 2.13 -0.00 -1.26 -3.94 117.35 113.62 2wdh s TYR 114 Ca 0.42 0.67 0.00 0.00 -0.00 0.00 0.00 57.07 58.16 2wdh s TYR 114 Cb -0.03 -2.06 0.00 0.00 -0.00 0.00 0.00 41.96 39.86 2wdh s TYR 114 CO 0.27 0.57 0.00 0.41 -0.00 0.00 0.00 175.55 176.80 2wdh n GLY 115 N 1.02 1.55 2.63 5.49 0.00 -1.26 -4.85 105.19 109.77 2wdh n GLY 115 Ca -0.10 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 2wdh n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdh n LYS 116 N -2.37 1.69 0.00 1.61 4.76 -1.25 -4.37 118.16 118.22 2wdh n LYS 116 Ca -0.15 -3.53 0.00 0.00 -2.87 0.00 0.00 58.31 51.76 2wdh n LYS 116 Cb 0.53 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2wdh n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdh n HIS 117 N -0.22 0.00 -3.22 2.13 8.25 -1.14 -1.41 115.22 119.61 2wdh n HIS 117 Ca 0.15 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.37 2wdh n HIS 117 Cb 0.79 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.83 2wdh n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdh n LYS 118 N 0.00 0.59 0.00 -0.41 5.02 -1.25 -4.97 118.16 117.15 2wdh n LYS 118 Ca 0.00 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 2wdh n LYS 118 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2wdh n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdh n ALA 119 N 1.75 0.00 0.00 7.82 0.00 -0.50 -2.94 120.51 126.64 2wdh n ALA 119 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wdh n ALA 119 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wdh n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdh n ARG 120 N 0.00 0.00 -1.52 0.00 1.74 -1.25 -4.49 116.66 111.14 2wdh n ARG 120 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 2wdh n ARG 120 Cb 0.00 -0.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.89 2wdh n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wdh n ARG 121 N -2.00 0.34 -2.65 5.56 0.00 -1.15 -4.88 116.66 111.88 2wdh n ARG 121 Ca 0.00 -0.10 -0.36 0.00 -0.00 0.00 0.00 57.85 57.39 2wdh n ARG 121 Cb 0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.33 2wdh n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdh s ALA 122 N 8.85 3.11 0.59 5.13 0.00 -1.26 -2.88 121.76 135.30 2wdh s ALA 122 Ca 1.20 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.60 2wdh s ALA 122 Cb -0.76 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 2wdh s ALA 122 CO 0.40 -0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.96 2wdh s PRO 123 N -2.49 3.16 -0.01 0.00 0.04 -1.26 -4.91 135.00 129.52 2wdh s PRO 123 Ca 0.57 1.47 -0.37 0.00 0.04 0.00 0.00 61.00 62.71 2wdh s PRO 123 Cb -0.19 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 2wdh s PRO 123 CO 0.24 -0.98 1.56 1.04 0.04 0.00 0.00 177.00 178.90 2wdh n GLN 124 N -1.79 1.49 -2.19 4.56 6.02 -1.26 -4.89 117.38 119.32 2wdh n GLN 124 Ca 0.11 0.54 -0.43 0.00 -0.01 0.00 0.00 57.00 57.21 2wdh n GLN 124 Cb 0.52 -2.25 -0.02 0.00 1.02 0.00 0.00 30.24 29.51 2wdh n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2wdh s TYR 125 N 1.79 2.28 0.00 1.08 6.04 -1.26 -4.96 117.35 122.32 2wdh s TYR 125 Ca 0.88 0.61 0.00 0.00 0.04 0.00 0.00 57.07 58.60 2wdh s TYR 125 Cb -0.89 -3.90 0.00 0.00 -1.04 0.00 0.00 41.96 36.13 2wdh s TYR 125 CO 0.50 -2.69 0.06 0.43 -1.54 0.00 0.00 175.55 172.31 2wdh n SER 126 N 7.89 0.00 0.00 4.32 7.64 -1.26 -4.86 113.62 127.35 2wdh n SER 126 Ca 0.17 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2wdh n SER 126 Cb 0.45 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2wdh n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wdh n LYS 127 N -0.57 0.00 0.00 1.43 4.81 -1.26 -5.34 118.16 117.23 2wdh n LYS 127 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 2wdh n LYS 127 Cb 0.00 -0.59 0.64 0.00 0.02 0.00 0.00 35.03 35.10 2wdh n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46