#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s HIS 3 N 0.00 3.60 0.15 0.00 4.02 -1.26 -5.06 115.29 116.75 2wdi s HIS 3 Ca 0.00 1.30 0.01 0.00 1.02 0.00 0.00 55.06 57.39 2wdi s HIS 3 Cb 0.00 -2.82 0.03 0.00 -1.02 0.00 0.00 32.58 28.76 2wdi s HIS 3 CO 0.00 0.10 0.21 1.63 1.02 0.00 0.00 174.74 177.70 2wdi n LYS 4 N 3.69 0.74 -3.79 1.40 5.02 -1.26 -5.13 118.16 118.83 2wdi n LYS 4 Ca -0.01 -0.72 -0.14 0.00 -2.02 0.00 0.00 58.31 55.42 2wdi n LYS 4 Cb 0.51 -0.10 -0.15 0.00 -0.02 0.00 0.00 35.03 35.28 2wdi n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wdi s LYS 5 N -2.78 0.02 0.48 1.97 -0.14 -1.26 -5.13 119.74 112.90 2wdi s LYS 5 Ca 0.15 0.20 -0.21 0.00 -1.36 0.00 0.00 55.97 54.75 2wdi s LYS 5 Cb -0.01 -0.15 -0.10 0.00 -1.68 0.00 0.00 37.83 35.88 2wdi s LYS 5 CO 0.10 -0.12 0.68 0.41 -0.76 0.00 0.00 175.35 175.66 2wdi n GLY 6 N 3.87 -1.10 3.22 -3.33 0.00 -1.26 -5.00 105.19 101.60 2wdi n GLY 6 Ca -0.23 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2wdi n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdi s LEU 7 N 0.62 2.27 0.00 0.99 1.43 -1.26 -5.17 118.68 117.56 2wdi s LEU 7 Ca 0.66 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2wdi s LEU 7 Cb -0.53 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 45.60 2wdi s LEU 7 CO 0.56 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2wdi n GLY 8 N -0.18 3.73 0.00 -3.19 0.00 -1.26 -5.17 105.19 99.12 2wdi n GLY 8 Ca -0.08 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2wdi n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdi n SER 9 N 0.00 0.31 -3.65 1.61 2.88 -1.26 -5.17 113.62 108.34 2wdi n SER 9 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2wdi n SER 9 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2wdi n SER 9 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2wdi s THR 10 N 0.80 -0.83 -0.58 2.46 2.01 -1.26 -5.00 115.64 113.23 2wdi s THR 10 Ca 0.00 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2wdi s THR 10 Cb 0.00 -0.95 0.18 0.00 0.01 0.00 0.00 72.50 71.74 2wdi s THR 10 CO 0.00 0.01 0.94 0.54 -0.69 0.00 0.00 174.62 175.42 2wdi n ARG 11 N 5.30 1.70 0.00 4.92 1.74 -1.26 -4.69 116.66 124.37 2wdi n ARG 11 Ca -0.13 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 2wdi n ARG 11 Cb 0.50 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 2wdi n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdi n ASN 12 N 0.14 0.00 -2.88 0.55 5.03 -1.26 -5.00 115.26 111.84 2wdi n ASN 12 Ca 0.09 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.35 2wdi n ASN 12 Cb 0.58 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.35 2wdi n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wdi n GLY 13 N 5.00 0.09 3.65 7.41 0.00 -1.26 -4.96 105.19 115.13 2wdi n GLY 13 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 2wdi n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdi s ARG 14 N -1.48 0.90 0.00 1.61 3.52 -1.26 -5.19 118.95 117.06 2wdi s ARG 14 Ca 0.18 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 2wdi s ARG 14 Cb -0.02 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 2wdi s ARG 14 CO 0.41 -0.41 0.00 -3.47 -0.81 0.00 0.00 175.30 171.02 2wdi n ASP 15 N -0.39 0.00 -4.47 -2.12 2.03 -1.26 -5.17 116.55 105.18 2wdi n ASP 15 Ca -0.07 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.94 2wdi n ASP 15 Cb 0.61 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.89 2wdi n ASP 15 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2wdi s SER 16 N 0.00 3.86 0.27 1.67 0.01 -1.26 -5.09 113.70 113.16 2wdi s SER 16 Ca 0.00 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2wdi s SER 16 Cb 0.00 -0.64 -0.14 0.00 0.21 0.00 0.00 66.02 65.45 2wdi s SER 16 CO 0.00 0.25 1.07 0.00 0.41 0.00 0.00 173.24 174.98 2wdi n GLN 17 N 1.51 1.40 -1.70 12.44 10.64 -1.26 -4.84 117.38 135.57 2wdi n GLN 17 Ca -0.16 0.49 -0.42 0.00 -1.83 0.00 0.00 57.00 55.08 2wdi n GLN 17 Cb 0.52 -1.91 -0.03 0.00 -0.86 0.00 0.00 30.24 27.96 2wdi n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2wdi s ALA 18 N -0.84 3.68 -1.20 2.61 0.00 -1.26 -4.87 121.76 119.88 2wdi s ALA 18 Ca 0.62 1.38 0.08 0.00 0.00 0.00 0.00 51.96 54.03 2wdi s ALA 18 Cb -0.72 -3.80 0.33 0.00 0.00 0.00 0.00 23.12 18.93 2wdi s ALA 18 CO 0.58 -1.39 1.13 1.63 0.00 0.00 0.00 175.76 177.71 2wdi n LYS 19 N 6.56 2.34 -2.53 0.00 4.76 -1.26 -4.97 118.16 123.07 2wdi n LYS 19 Ca 0.19 -1.30 -0.13 0.00 -2.87 0.00 0.00 58.31 54.19 2wdi n LYS 19 Cb 0.40 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 2wdi n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdi n ARG 20 N 0.35 -0.70 -1.77 1.97 3.00 -1.26 -4.95 116.66 113.30 2wdi n ARG 20 Ca 0.12 0.43 -0.13 0.00 -0.01 0.00 0.00 57.85 58.26 2wdi n ARG 20 Cb 0.51 -0.84 0.07 0.00 0.00 0.00 0.00 32.46 32.20 2wdi n ARG 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wdi n LEU 21 N -0.73 0.00 0.00 0.55 4.77 -1.26 -5.01 117.00 115.31 2wdi n LEU 21 Ca -0.09 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2wdi n LEU 21 Cb 0.28 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2wdi n LEU 21 CO 0.24 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 2wdi n GLY 22 N 0.65 0.15 3.61 -0.72 0.00 0.19 -4.94 105.19 104.12 2wdi n GLY 22 Ca 0.09 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 2wdi n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdi s VAL 23 N -0.36 4.89 -0.18 1.61 1.01 -1.26 0.10 120.40 126.20 2wdi s VAL 23 Ca 0.00 1.00 0.18 0.00 0.00 0.00 0.00 61.98 63.16 2wdi s VAL 23 Cb 0.00 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2wdi s VAL 23 CO 0.00 -0.17 1.09 0.11 0.00 0.00 0.00 175.10 176.13 2wdi h LYS 24 N 8.14 0.00 -4.79 2.72 1.79 0.18 -3.44 116.57 121.16 2wdi h LYS 24 Ca -0.26 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.58 2wdi h LYS 24 Cb 1.11 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.40 2wdi h LYS 24 CO 0.83 0.25 -0.83 1.03 -1.08 0.00 0.00 179.45 179.65 2wdi s ARG 25 N -3.06 2.45 0.47 3.15 1.81 -0.73 -4.97 118.95 118.08 2wdi s ARG 25 Ca 0.00 -0.79 -0.04 0.00 -1.72 0.00 0.00 55.73 53.18 2wdi s ARG 25 Cb 0.08 -2.40 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 2wdi s ARG 25 CO 0.78 -0.30 0.76 0.71 -0.68 0.00 0.00 175.30 176.56 2wdi s TYR 26 N 1.37 3.55 0.08 -0.53 4.12 -1.26 -4.89 117.35 119.78 2wdi s TYR 26 Ca 0.02 0.75 -0.32 0.00 0.02 0.00 0.00 57.07 57.54 2wdi s TYR 26 Cb -0.14 -2.27 -0.11 0.00 -1.52 0.00 0.00 41.96 37.92 2wdi s TYR 26 CO -0.10 -0.25 1.84 -1.91 0.02 0.00 0.00 175.55 175.15 2wdi n GLU 27 N -2.21 2.65 -0.72 -0.62 2.13 -1.26 -2.61 120.64 117.99 2wdi n GLU 27 Ca 0.00 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2wdi n GLU 27 Cb 0.55 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.41 2wdi n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdi n GLY 28 N 4.24 1.32 3.26 8.31 0.00 0.37 -4.98 105.19 117.70 2wdi n GLY 28 Ca 0.19 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2wdi n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdi s GLN 29 N -1.91 2.99 -0.91 1.61 -0.21 -1.07 -4.87 119.66 115.29 2wdi s GLN 29 Ca 0.00 -0.89 -0.26 0.00 0.02 0.00 0.00 55.36 54.23 2wdi s GLN 29 Cb 0.00 -3.09 -0.15 0.00 1.00 0.00 0.00 33.01 30.77 2wdi s GLN 29 CO 0.00 -0.38 2.25 0.14 -2.12 0.00 0.00 175.29 175.18 2wdi s VAL 30 N 1.40 3.10 0.15 1.09 -7.23 -1.26 -2.39 120.40 115.25 2wdi s VAL 30 Ca 0.02 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2wdi s VAL 30 Cb -0.16 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2wdi s VAL 30 CO -0.02 -0.20 0.32 0.68 -0.31 0.00 0.00 175.10 175.57 2wdi s VAL 31 N 14.67 5.28 0.68 1.32 -7.23 -0.68 -5.00 120.40 129.44 2wdi s VAL 31 Ca 0.85 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 60.62 2wdi s VAL 31 Cb -0.09 -3.70 0.13 0.00 0.56 0.00 0.00 36.38 33.28 2wdi s VAL 31 CO 0.10 -0.06 0.94 0.54 -0.31 0.00 0.00 175.10 176.31 2wdi n ARG 32 N -0.34 0.04 -2.68 4.82 1.74 -1.26 -2.34 116.66 116.63 2wdi n ARG 32 Ca -0.05 -2.73 -0.42 0.00 -0.77 0.00 0.00 57.85 53.87 2wdi n ARG 32 Cb 0.53 -0.57 -0.03 0.00 -1.02 0.00 0.00 32.46 31.37 2wdi n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdi s ALA 33 N -3.08 3.33 0.00 7.54 0.00 -1.26 -3.39 121.76 124.90 2wdi s ALA 33 Ca 0.64 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2wdi s ALA 33 Cb -0.04 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2wdi s ALA 33 CO 0.42 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2wdi n GLY 34 N 3.05 3.24 2.65 0.00 0.00 -0.58 -4.99 105.19 108.56 2wdi n GLY 34 Ca 0.08 -0.94 -0.48 0.00 0.00 0.00 0.00 46.02 44.67 2wdi n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdi n ASN 35 N 0.61 0.81 -4.79 1.61 4.13 -1.22 -4.20 115.26 112.22 2wdi n ASN 35 Ca 0.00 0.78 -0.36 0.00 1.68 0.00 0.00 54.58 56.68 2wdi n ASN 35 Cb 0.00 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 2wdi n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2wdi s ILE 36 N 2.65 4.19 -0.12 2.41 -4.36 -1.26 -1.11 121.20 123.61 2wdi s ILE 36 Ca 0.79 1.73 0.08 0.00 -0.26 0.00 0.00 60.65 62.99 2wdi s ILE 36 Cb -1.09 -3.93 -0.13 0.00 1.25 0.00 0.00 42.46 38.57 2wdi s ILE 36 CO 0.57 0.07 0.00 0.18 0.24 0.00 0.00 174.94 176.00 2wdi n LEU 37 N 0.35 0.67 -3.87 0.37 4.77 0.22 -4.27 117.00 115.24 2wdi n LEU 37 Ca 0.03 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 2wdi n LEU 37 Cb 0.51 0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 2wdi n LEU 37 CO 0.43 0.38 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.90 2wdi s VAL 38 N -2.27 0.03 -0.15 4.08 1.01 -0.61 0.19 120.40 122.69 2wdi s VAL 38 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2wdi s VAL 38 Cb 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.26 2wdi s VAL 38 CO 0.42 -0.14 -0.13 -0.13 0.00 0.00 0.00 175.10 175.13 2wdi s ARG 39 N -0.41 2.14 -0.04 2.72 1.81 0.11 -1.36 118.95 123.92 2wdi s ARG 39 Ca -0.05 -0.53 -0.07 0.00 -1.72 0.00 0.00 55.73 53.36 2wdi s ARG 39 Cb -0.03 -2.05 0.01 0.00 -0.45 0.00 0.00 34.95 32.43 2wdi s ARG 39 CO 0.00 -0.26 0.18 1.14 -0.68 0.00 0.00 175.30 175.68 2wdi s GLN 40 N 1.52 0.36 0.02 3.54 -2.07 -1.26 -0.64 119.66 121.13 2wdi s GLN 40 Ca 0.04 -0.03 -0.04 0.00 -1.82 0.00 0.00 55.36 53.51 2wdi s GLN 40 Cb -0.13 0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 31.94 2wdi s GLN 40 CO -0.10 -0.07 1.07 0.00 -1.32 0.00 0.00 175.29 174.87 2wdi h ARG 41 N 5.07 -0.03 0.00 9.60 -0.00 -1.96 -3.44 114.38 123.62 2wdi h ARG 41 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 2wdi h ARG 41 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.17 2wdi h ARG 41 CO 0.39 -0.02 0.00 0.41 0.00 0.00 0.00 179.97 180.75 2wdi n GLY 42 N -1.04 1.68 2.80 0.04 0.00 -1.26 -4.91 105.19 102.49 2wdi n GLY 42 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wdi n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdi n THR 43 N 0.00 3.10 -0.14 2.61 5.66 -1.26 -4.74 114.28 119.52 2wdi n THR 43 Ca 0.00 -5.53 -0.07 0.00 -3.05 0.00 0.00 64.05 55.40 2wdi n THR 43 Cb 0.00 -1.59 0.01 0.00 -1.55 0.00 0.00 70.33 67.20 2wdi n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2wdi h ARG 44 N 3.38 0.52 -6.09 1.09 3.08 -1.95 -3.42 114.38 110.98 2wdi h ARG 44 Ca 0.17 -0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.65 2wdi h ARG 44 Cb 0.53 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2wdi h ARG 44 CO 0.85 0.34 -0.51 -0.06 -1.07 0.00 0.00 179.97 179.53 2wdi s PHE 45 N -6.15 2.72 0.28 3.04 0.40 -1.26 -4.50 117.98 112.51 2wdi s PHE 45 Ca -0.13 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2wdi s PHE 45 Cb 0.12 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 2wdi s PHE 45 CO 0.73 0.25 0.09 0.15 0.70 0.00 0.00 175.22 177.14 2wdi s LYS 46 N -3.90 1.51 0.00 0.44 1.02 -0.41 -4.99 119.74 113.41 2wdi s LYS 46 Ca 0.40 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.56 2wdi s LYS 46 Cb -0.02 -0.43 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 2wdi s LYS 46 CO 0.24 -0.28 0.00 -0.35 -0.92 0.00 0.00 175.35 174.04 2wdi n PRO 47 N -0.55 1.09 -0.98 -1.68 -0.04 -1.26 -1.29 135.00 130.28 2wdi n PRO 47 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2wdi n PRO 47 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 2wdi n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdi n GLY 48 N 1.53 -0.59 3.52 0.55 0.00 -1.13 -2.49 105.19 106.58 2wdi n GLY 48 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 2wdi n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdi n LYS 49 N 0.00 1.17 -3.59 1.61 5.02 -1.26 -2.49 118.16 118.61 2wdi n LYS 49 Ca 0.00 0.22 -0.25 0.00 -2.02 0.00 0.00 58.31 56.26 2wdi n LYS 49 Cb 0.00 -2.89 0.05 0.00 -0.02 0.00 0.00 35.03 32.17 2wdi n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wdi n ASN 50 N 12.47 -4.47 -3.47 4.39 3.02 -1.26 0.23 115.26 126.17 2wdi n ASN 50 Ca 0.40 -0.90 -0.21 0.00 -0.03 0.00 0.00 54.58 53.84 2wdi n ASN 50 Cb 0.37 -3.97 -0.12 0.00 -0.61 0.00 0.00 39.78 35.45 2wdi n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wdi s VAL 51 N -3.51 -0.28 0.49 2.41 1.01 -1.04 -1.15 120.40 118.33 2wdi s VAL 51 Ca 0.34 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wdi s VAL 51 Cb -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 2wdi s VAL 51 CO 0.82 -0.44 0.74 -0.83 0.00 0.00 0.00 175.10 175.40 2wdi s GLY 52 N 2.27 1.56 -0.19 4.51 0.00 -0.63 -3.51 107.32 111.33 2wdi s GLY 52 Ca 0.08 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 2wdi s GLY 52 CO -0.26 -0.69 0.50 -3.16 0.00 0.00 0.00 173.10 169.49 2wdi s MET 53 N -4.69 0.58 0.22 2.90 0.23 -1.26 -0.89 119.30 116.40 2wdi s MET 53 Ca 0.49 0.72 -0.11 0.00 -1.03 0.00 0.00 55.69 55.76 2wdi s MET 53 Cb -0.10 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 2wdi s MET 53 CO 0.41 -0.08 0.40 0.20 -2.03 0.00 0.00 175.02 173.92 2wdi s GLY 54 N 0.36 0.61 0.00 3.16 0.00 -1.17 -4.92 107.32 105.36 2wdi s GLY 54 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2wdi s GLY 54 CO -0.00 -0.75 0.00 0.54 0.00 0.00 0.00 173.10 172.89 2wdi n ARG 55 N -0.34 0.00 -1.16 2.90 5.12 -1.26 -1.85 116.66 120.07 2wdi n ARG 55 Ca -0.03 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.70 2wdi n ARG 55 Cb 0.63 0.00 0.21 0.00 -1.16 0.00 0.00 32.46 32.13 2wdi n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wdi n ASP 56 N 0.09 4.00 -0.87 0.55 3.85 -1.26 -4.87 116.55 118.04 2wdi n ASP 56 Ca 0.00 -3.49 -0.11 0.00 -0.71 0.00 0.00 54.79 50.48 2wdi n ASP 56 Cb 0.00 -0.81 -0.05 0.00 -1.35 0.00 0.00 41.12 38.91 2wdi n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wdi n PHE 57 N -0.89 0.00 -1.99 2.11 3.72 -0.77 -4.51 117.46 115.13 2wdi n PHE 57 Ca 0.55 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.53 2wdi n PHE 57 Cb 1.60 -2.77 -0.03 0.00 -0.94 0.00 0.00 39.48 37.33 2wdi n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wdi s THR 58 N -1.98 3.06 -0.32 4.37 2.01 -1.20 -4.57 115.64 117.01 2wdi s THR 58 Ca 0.00 0.60 -0.12 0.00 0.31 0.00 0.00 61.69 62.49 2wdi s THR 58 Cb 0.00 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2wdi s THR 58 CO 0.00 0.01 0.20 -0.76 -0.69 0.00 0.00 174.62 173.39 2wdi s LEU 59 N 2.12 4.29 0.18 4.42 1.43 -0.47 -3.04 118.68 127.61 2wdi s LEU 59 Ca 0.71 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 2wdi s LEU 59 Cb -0.39 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2wdi s LEU 59 CO 0.31 -0.18 -0.19 0.72 0.23 0.00 0.00 176.35 177.24 2wdi s PHE 60 N 1.70 1.92 0.40 0.29 -0.12 -0.07 0.71 117.98 122.80 2wdi s PHE 60 Ca 0.06 -0.45 -0.25 0.00 -0.05 0.00 0.00 56.93 56.24 2wdi s PHE 60 Cb -0.17 -0.95 -0.08 0.00 -0.63 0.00 0.00 43.02 41.19 2wdi s PHE 60 CO 0.09 0.38 1.15 0.00 -0.05 0.00 0.00 175.22 176.79 2wdi s ALA 61 N -2.05 3.15 -0.36 1.99 0.00 -0.26 -1.60 121.76 122.63 2wdi s ALA 61 Ca 0.18 0.92 0.14 0.00 0.00 0.00 0.00 51.96 53.20 2wdi s ALA 61 Cb -0.06 -3.36 -0.19 0.00 0.00 0.00 0.00 23.12 19.51 2wdi s ALA 61 CO 0.08 -0.47 0.47 1.28 0.00 0.00 0.00 175.76 177.12 2wdi n LEU 62 N 0.08 0.35 -3.71 0.00 4.77 -0.30 -1.52 117.00 116.66 2wdi n LEU 62 Ca 0.04 -0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 2wdi n LEU 62 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2wdi n LEU 62 CO 0.50 0.09 0.12 0.68 -1.33 0.00 0.00 177.39 177.44 2wdi s VAL 63 N -2.67 -0.01 -0.77 4.08 -7.23 -1.26 -4.83 120.40 107.72 2wdi s VAL 63 Ca 0.00 0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 60.00 2wdi s VAL 63 Cb 0.10 -0.63 -0.17 0.00 0.56 0.00 0.00 36.38 36.24 2wdi s VAL 63 CO 0.60 0.01 1.93 0.47 -0.31 0.00 0.00 175.10 177.80 2wdi n ASP 64 N 3.16 0.38 0.00 4.85 9.92 -1.26 -4.58 116.55 129.01 2wdi n ASP 64 Ca -0.15 -1.83 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 2wdi n ASP 64 Cb 0.57 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 2wdi n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wdi n GLY 65 N 5.84 5.45 3.24 0.44 0.00 -0.99 -4.60 105.19 114.57 2wdi n GLY 65 Ca 0.36 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 2wdi n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdi s VAL 66 N 1.44 1.55 0.03 1.61 1.01 -0.09 -1.69 120.40 124.26 2wdi s VAL 66 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 2wdi s VAL 66 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2wdi s VAL 66 CO 0.00 0.04 0.94 -0.69 0.00 0.00 0.00 175.10 175.40 2wdi s VAL 67 N -0.97 4.77 -0.06 2.92 1.01 -1.01 -1.75 120.40 125.31 2wdi s VAL 67 Ca 0.05 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 2wdi s VAL 67 Cb -0.09 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.03 2wdi s VAL 67 CO 0.03 0.22 -0.01 -1.83 0.00 0.00 0.00 175.10 173.50 2wdi s GLU 68 N 0.65 0.70 0.02 2.72 -1.05 -0.24 0.14 118.70 121.64 2wdi s GLU 68 Ca 0.49 0.03 -0.18 0.00 -0.15 0.00 0.00 54.97 55.16 2wdi s GLU 68 Cb -0.21 -0.94 -0.06 0.00 -0.44 0.00 0.00 34.13 32.48 2wdi s GLU 68 CO 0.27 -0.23 0.51 -0.06 0.95 0.00 0.00 175.26 176.70 2wdi s PHE 69 N 1.61 3.74 -0.00 4.83 0.40 -1.26 -1.12 117.98 126.18 2wdi s PHE 69 Ca -0.00 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.48 2wdi s PHE 69 Cb -0.13 -2.45 -0.00 0.00 0.51 0.00 0.00 43.02 40.95 2wdi s PHE 69 CO -0.04 0.54 -0.05 -1.14 0.70 0.00 0.00 175.22 175.23 2wdi s GLN 70 N -0.81 0.43 -0.24 0.44 -0.44 0.92 -4.99 119.66 114.97 2wdi s GLN 70 Ca 0.27 -0.21 -0.06 0.00 -2.50 0.00 0.00 55.36 52.86 2wdi s GLN 70 Cb -0.18 -0.41 -0.02 0.00 -1.64 0.00 0.00 33.01 30.76 2wdi s GLN 70 CO 0.16 0.11 0.03 0.34 0.50 0.00 0.00 175.29 176.43 2wdi s ASP 71 N -0.18 4.86 -0.29 6.67 2.15 -1.26 0.32 116.67 128.94 2wdi s ASP 71 Ca 0.02 -0.27 0.11 0.00 0.43 0.00 0.00 52.55 52.84 2wdi s ASP 71 Cb -0.02 -1.86 0.68 0.00 -0.30 0.00 0.00 42.92 41.42 2wdi s ASP 71 CO -0.00 -0.03 1.70 0.54 -0.17 0.00 0.00 175.17 177.21 2wdi n ARG 72 N 4.88 3.37 0.00 4.34 5.12 0.10 -5.01 116.66 129.46 2wdi n ARG 72 Ca -0.17 -3.07 0.00 0.00 -1.93 0.00 0.00 57.85 52.69 2wdi n ARG 72 Cb 0.51 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2wdi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdi n GLY 73 N -0.34 3.26 0.00 -0.13 0.00 -1.22 -0.43 105.19 106.34 2wdi n GLY 73 Ca 0.36 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.60 2wdi n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 74 N 14.00 0.43 -0.03 1.61 5.12 -1.26 -1.15 116.66 135.38 2wdi n ARG 74 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 2wdi n ARG 74 Cb 0.00 -1.17 -0.13 0.00 -1.16 0.00 0.00 32.46 29.99 2wdi n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wdi n LEU 75 N -0.67 0.00 0.00 0.55 0.00 0.43 -5.11 117.00 112.20 2wdi n LEU 75 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 2wdi n LEU 75 Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2wdi n LEU 75 CO 0.03 0.13 0.00 0.61 0.00 0.00 0.00 177.39 178.16 2wdi n GLY 76 N 1.66 1.21 3.55 -3.96 0.00 -0.30 -4.95 105.19 102.40 2wdi n GLY 76 Ca -0.11 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 2wdi n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdi s ARG 77 N -1.15 3.13 0.14 1.61 0.52 -1.26 0.01 118.95 121.95 2wdi s ARG 77 Ca 0.00 -0.54 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 2wdi s ARG 77 Cb 0.00 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2wdi s ARG 77 CO 0.00 0.49 -0.15 0.71 0.02 0.00 0.00 175.30 176.37 2wdi s TYR 78 N -0.33 1.51 -0.09 -0.53 1.51 0.15 -1.28 117.35 118.29 2wdi s TYR 78 Ca 0.05 -0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2wdi s TYR 78 Cb -0.12 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 2wdi s TYR 78 CO 0.02 0.19 -0.05 0.08 -1.11 0.00 0.00 175.55 174.69 2wdi s VAL 79 N -2.22 0.78 0.45 0.71 1.01 -0.41 -0.06 120.40 120.66 2wdi s VAL 79 Ca 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2wdi s VAL 79 Cb -0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2wdi s VAL 79 CO 0.04 0.32 0.04 -1.00 0.00 0.00 0.00 175.10 174.50 2wdi s HIS 80 N 1.61 1.94 -0.30 5.22 0.09 -0.27 -2.85 115.29 120.73 2wdi s HIS 80 Ca 0.01 -1.01 -0.03 0.00 -0.00 0.00 0.00 55.06 54.04 2wdi s HIS 80 Cb -0.13 -1.48 0.10 0.00 -0.00 0.00 0.00 32.58 31.07 2wdi s HIS 80 CO -0.05 0.10 0.13 0.08 -0.00 0.00 0.00 174.74 174.99 2wdi s VAL 81 N -2.98 0.11 -0.01 -0.90 1.01 0.14 -1.08 120.40 116.68 2wdi s VAL 81 Ca 0.17 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2wdi s VAL 81 Cb 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2wdi s VAL 81 CO 0.09 -0.74 1.06 0.00 0.00 0.00 0.00 175.10 175.51 2wdi s ARG 82 N 1.95 4.48 0.00 2.72 1.70 -0.72 -4.51 118.95 124.57 2wdi s ARG 82 Ca 0.10 1.52 0.00 0.00 -0.47 0.00 0.00 55.73 56.88 2wdi s ARG 82 Cb -0.17 -3.46 0.00 0.00 -0.57 0.00 0.00 34.95 30.75 2wdi s ARG 82 CO -0.33 -0.19 0.00 -0.35 -1.08 0.00 0.00 175.30 173.35 2wdi n PRO 83 N 4.28 2.71 -3.63 3.89 -0.04 -1.26 -0.92 135.00 140.04 2wdi n PRO 83 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2wdi n PRO 83 Cb 0.49 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 2wdi n PRO 83 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2wdi s LEU 84 N 0.00 -0.77 0.00 1.53 0.05 -1.26 -4.21 118.68 114.03 2wdi s LEU 84 Ca 0.00 1.44 0.07 0.00 0.05 0.00 0.00 54.13 55.69 2wdi s LEU 84 Cb 0.00 2.45 0.40 0.00 -2.05 0.00 0.00 46.19 46.98 2wdi s LEU 84 CO 0.00 -0.25 0.86 0.00 -0.55 0.00 0.00 176.35 176.41