#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdv s ILE -4 N 0.00 3.15 -0.15 -0.61 1.01 -1.26 -5.02 121.20 118.31 3kdv s ILE -4 Ca 0.00 1.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 3kdv s ILE -4 Cb 0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 3kdv s ILE -4 CO 0.00 0.23 -0.08 -0.62 0.00 0.00 0.00 174.94 174.47 3kdv s ASP -3 N -0.81 4.35 0.10 3.58 -1.08 -1.26 -4.99 116.67 116.55 3kdv s ASP -3 Ca 0.49 -0.27 0.26 0.00 -0.52 0.00 0.00 52.55 52.52 3kdv s ASP -3 Cb -0.34 -1.70 0.77 0.00 -1.46 0.00 0.00 42.92 40.19 3kdv s ASP -3 CO 0.44 0.13 1.66 -0.81 0.52 0.00 0.00 175.17 177.11 3kdv n PRO -2 N 3.75 0.16 -0.24 4.34 -0.04 -1.26 -4.17 135.00 137.53 3kdv n PRO -2 Ca -0.18 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.44 3kdv n PRO -2 Cb 0.52 -1.64 0.19 0.00 -0.04 0.00 0.00 33.50 32.53 3kdv n PRO -2 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kdv n PHE -1 N -1.90 0.61 -2.92 0.54 3.72 -1.26 -4.83 117.46 111.42 3kdv n PHE -1 Ca 0.05 -0.55 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 3kdv n PHE -1 Cb 0.39 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3kdv n PHE -1 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3kdv n THR 0 N 0.52 0.00 -3.79 4.37 -2.24 -1.26 -5.09 114.28 106.79 3kdv n THR 0 Ca 0.14 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.84 3kdv n THR 0 Cb 0.52 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 3kdv n THR 0 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kdv s LEU 2 N 0.00 -0.25 -0.13 3.22 1.02 -0.35 -4.31 118.68 117.88 3kdv s LEU 2 Ca 0.00 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.57 3kdv s LEU 2 Cb 0.00 2.60 0.07 0.00 0.02 0.00 0.00 46.19 48.88 3kdv s LEU 2 CO 0.00 -1.25 0.27 -1.00 0.02 0.00 0.00 176.35 174.39 3kdv s HIS 3 N -3.90 -0.45 -0.17 0.29 3.76 -1.26 -1.56 115.29 112.00 3kdv s HIS 3 Ca 0.10 1.01 -0.04 0.00 -0.15 0.00 0.00 55.06 55.98 3kdv s HIS 3 Cb -0.04 -0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.62 3kdv s HIS 3 CO 0.03 -0.36 -0.04 -1.50 -0.85 0.00 0.00 174.74 172.03 3kdv s ILE 4 N 2.35 3.72 -0.22 0.60 2.07 -0.63 -4.94 121.20 124.15 3kdv s ILE 4 Ca 0.00 -0.41 -0.20 0.00 -1.41 0.00 0.00 60.65 58.63 3kdv s ILE 4 Cb -0.12 -2.65 -0.02 0.00 0.13 0.00 0.00 42.46 39.80 3kdv s ILE 4 CO -0.09 0.47 0.62 -0.70 -1.91 0.00 0.00 174.94 173.33 3kdv s GLU 5 N 0.68 4.17 0.24 3.50 2.12 -1.26 -0.98 118.70 127.17 3kdv s GLU 5 Ca -0.02 0.57 0.09 0.00 0.36 0.00 0.00 54.97 55.97 3kdv s GLU 5 Cb -0.14 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3kdv s GLU 5 CO 0.02 -0.29 -0.02 -0.06 -0.54 0.00 0.00 175.26 174.38 3kdv s PHE 6 N 2.09 2.71 -0.23 5.30 0.08 0.00 -4.34 117.98 123.60 3kdv s PHE 6 Ca 0.27 -0.21 -0.07 0.00 0.12 0.00 0.00 56.93 57.05 3kdv s PHE 6 Cb -0.16 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3kdv s PHE 6 CO 0.10 0.59 0.05 0.42 -0.10 0.00 0.00 175.22 176.28 3kdv s ILE 7 N -2.14 4.29 0.44 0.64 -1.09 0.71 -1.91 121.20 122.14 3kdv s ILE 7 Ca 0.30 -0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.46 3kdv s ILE 7 Cb -0.07 -2.98 0.10 0.00 -1.58 0.00 0.00 42.46 37.93 3kdv s ILE 7 CO 0.19 0.38 0.60 0.35 -1.23 0.00 0.00 174.94 175.23 3kdv n THR 8 N 4.54 0.00 0.22 2.92 -2.24 -0.27 -2.17 114.28 117.28 3kdv n THR 8 Ca -0.16 -0.46 0.10 0.00 -2.27 0.00 0.00 64.05 61.26 3kdv n THR 8 Cb 0.52 -1.74 0.46 0.00 -2.10 0.00 0.00 70.33 67.47 3kdv n THR 8 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3kdv h ASP 9 N -0.77 0.00 -0.51 3.42 2.03 -1.87 -2.15 116.42 116.57 3kdv h ASP 9 Ca -0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 3kdv h ASP 9 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 3kdv h ASP 9 CO 0.14 0.22 0.00 0.18 -1.03 0.00 0.00 179.24 178.75 3kdv n LEU 10 N -3.37 2.89 0.00 0.15 4.77 -1.26 -4.93 117.00 115.24 3kdv n LEU 10 Ca 0.00 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3kdv n LEU 10 Cb 0.43 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3kdv n LEU 10 CO 0.33 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3kdv n GLY 11 N 1.25 0.53 3.79 -0.72 0.00 -0.81 -5.03 105.19 104.21 3kdv n GLY 11 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3kdv n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdv s ALA 12 N -2.33 2.78 -0.41 4.61 0.00 -1.26 -4.59 121.76 120.56 3kdv s ALA 12 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 3kdv s ALA 12 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3kdv s ALA 12 CO 0.00 -0.58 0.51 0.21 0.00 0.00 0.00 175.76 175.90 3kdv s LYS 13 N -3.44 3.29 -0.05 0.00 2.20 -1.26 -1.11 119.74 119.37 3kdv s LYS 13 Ca 0.68 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.78 3kdv s LYS 13 Cb -0.19 -3.92 0.03 0.00 -1.51 0.00 0.00 37.83 32.24 3kdv s LYS 13 CO 0.26 -0.84 0.03 0.08 -0.36 0.00 0.00 175.35 174.53 3kdv s VAL 14 N 2.39 0.09 -0.20 4.02 1.01 -0.80 -5.00 120.40 121.91 3kdv s VAL 14 Ca 0.17 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 3kdv s VAL 14 Cb -0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 3kdv s VAL 14 CO 0.15 0.21 0.19 -0.89 0.00 0.00 0.00 175.10 174.75 3kdv s THR 15 N 2.03 5.37 -0.18 3.92 2.01 -1.26 -0.82 115.64 126.71 3kdv s THR 15 Ca 0.04 0.29 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 3kdv s THR 15 Cb -0.12 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3kdv s THR 15 CO -0.04 0.40 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.60 3kdv s VAL 16 N 0.58 4.12 0.31 3.82 1.01 -0.15 -4.95 120.40 125.14 3kdv s VAL 16 Ca 0.10 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 3kdv s VAL 16 Cb -0.12 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 3kdv s VAL 16 CO 0.01 0.46 1.06 -1.81 0.00 0.00 0.00 175.10 174.82 3kdv s ASP 17 N 0.61 7.16 -0.08 3.32 1.01 -1.26 -1.60 116.67 125.83 3kdv s ASP 17 Ca -0.01 2.15 0.03 0.00 0.71 0.00 0.00 52.55 55.43 3kdv s ASP 17 Cb -0.14 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.19 3kdv s ASP 17 CO 0.02 -0.21 -0.15 -0.69 0.21 0.00 0.00 175.17 174.36 3kdv s VAL 18 N -1.33 1.36 0.22 -1.27 1.01 -0.60 -4.96 120.40 114.83 3kdv s VAL 18 Ca 0.48 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3kdv s VAL 18 Cb -0.28 -1.23 0.16 0.00 0.00 0.00 0.00 36.38 35.04 3kdv s VAL 18 CO 0.35 0.41 1.83 -0.08 0.00 0.00 0.00 175.10 177.61 3kdv h GLU 19 N 6.97 0.80 -2.63 2.72 4.81 -1.93 -0.93 114.58 124.40 3kdv h GLU 19 Ca -0.28 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.96 3kdv h GLU 19 Cb 1.20 -0.18 -0.12 0.00 0.63 0.00 0.00 28.75 30.27 3kdv h GLU 19 CO 0.47 0.53 0.36 -1.54 -0.73 0.00 0.00 179.01 178.10 3kdv s SER 20 N -5.69 -0.41 0.36 1.04 1.04 -1.26 -4.56 113.70 104.21 3kdv s SER 20 Ca -0.13 -0.10 0.14 0.00 0.48 0.00 0.00 55.95 56.34 3kdv s SER 20 Cb 0.16 0.51 0.98 0.00 0.10 0.00 0.00 66.02 67.77 3kdv s SER 20 CO 0.77 -0.85 1.76 0.00 0.98 0.00 0.00 173.24 175.90 3kdv h ALA 21 N 2.00 2.01 0.00 5.32 0.00 -1.76 0.29 119.26 127.11 3kdv h ALA 21 Ca -0.27 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kdv h ALA 21 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kdv h ALA 21 CO 0.32 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.90 3kdv n ASP 22 N -4.72 0.48 -0.43 0.00 8.00 -1.26 -2.14 116.55 116.48 3kdv n ASP 22 Ca 0.25 0.72 0.08 0.00 0.71 0.00 0.00 54.79 56.55 3kdv n ASP 22 Cb 0.78 -0.78 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3kdv n ASP 22 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kdv n LYS 23 N -2.14 1.61 0.03 -1.24 4.76 0.09 -4.64 118.16 116.62 3kdv n LYS 23 Ca -0.01 -0.96 -0.11 0.00 -2.87 0.00 0.00 58.31 54.36 3kdv n LYS 23 Cb 0.04 -1.29 -0.04 0.00 -1.84 0.00 0.00 35.03 31.91 3kdv n LYS 23 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3kdv h LEU 24 N 2.13 -0.88 -0.93 -0.35 5.85 -1.51 -2.55 115.31 117.08 3kdv h LEU 24 Ca 0.00 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3kdv h LEU 24 Cb 0.58 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 3kdv h LEU 24 CO 0.00 -0.34 0.57 -0.07 -0.34 0.00 0.00 178.44 178.26 3kdv h LEU 25 N -0.40 0.88 -0.80 2.25 3.38 -1.82 0.68 115.31 119.48 3kdv h LEU 25 Ca 0.08 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3kdv h LEU 25 Cb 0.52 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3kdv h LEU 25 CO -0.29 0.53 0.42 0.44 0.09 0.00 0.00 178.44 179.62 3kdv h ASP 26 N 0.99 0.55 -0.23 -0.43 3.32 -1.80 -2.48 116.42 116.34 3kdv h ASP 26 Ca 0.43 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.41 3kdv h ASP 26 Cb 0.29 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3kdv h ASP 26 CO -0.21 0.29 -0.37 0.58 -1.72 0.00 0.00 179.24 177.80 3kdv h VAL 27 N 0.67 1.32 -0.03 -1.35 2.07 -0.51 -2.49 116.25 115.92 3kdv h VAL 27 Ca 0.41 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3kdv h VAL 27 Cb 0.47 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3kdv h VAL 27 CO -0.30 0.50 0.03 1.56 0.02 0.00 0.00 177.57 179.38 3kdv h GLN 28 N 0.36 0.00 -0.01 1.57 4.20 -1.01 -2.24 115.11 117.98 3kdv h GLN 28 Ca 0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3kdv h GLN 28 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3kdv h GLN 28 CO 0.08 0.00 -0.12 0.00 -0.67 0.00 0.00 178.83 178.12 3kdv h ARG 29 N 0.00 0.11 -0.30 1.46 3.08 -1.29 -2.06 114.38 115.37 3kdv h ARG 29 Ca 0.02 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.03 3kdv h ARG 29 Cb 0.07 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 3kdv h ARG 29 CO -0.00 0.80 -0.13 0.37 -1.07 0.00 0.00 179.97 179.94 3kdv h GLN 30 N -0.55 -0.07 0.00 0.04 4.15 -0.95 0.20 115.11 117.93 3kdv h GLN 30 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3kdv h GLN 30 Cb 0.83 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 3kdv h GLN 30 CO 0.02 -0.05 -0.57 1.88 -1.93 0.00 0.00 178.83 178.19 3kdv h TYR 31 N -0.07 0.00 -0.66 3.99 0.05 -1.68 -3.26 116.97 115.34 3kdv h TYR 31 Ca 0.16 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 3kdv h TYR 31 Cb 0.31 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3kdv h TYR 31 CO -0.33 0.18 0.29 0.78 -1.05 0.00 0.00 178.16 178.03 3kdv h GLY 32 N 3.86 1.03 1.94 3.88 0.00 -0.64 -2.46 103.07 110.68 3kdv h GLY 32 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3kdv h GLY 32 CO 0.02 0.51 0.03 0.07 0.00 0.00 0.00 176.54 177.17 3kdv h ARG 33 N 0.92 0.00 -0.02 4.80 -0.00 -1.02 -0.99 114.38 118.06 3kdv h ARG 33 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.20 3kdv h ARG 33 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.13 3kdv h ARG 33 CO -0.02 0.00 -0.06 1.28 -0.00 0.00 0.00 179.97 181.17 3kdv n LEU 34 N -2.91 1.95 0.00 0.08 4.77 -0.96 -4.94 117.00 115.00 3kdv n LEU 34 Ca -0.03 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3kdv n LEU 34 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kdv n LEU 34 CO 0.17 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3kdv n GLY 35 N 1.26 0.67 3.83 -0.72 0.00 -0.38 -4.80 105.19 105.05 3kdv n GLY 35 Ca 0.16 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3kdv n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kdv s TRP 36 N -2.00 3.33 0.23 1.61 0.52 -1.01 -4.67 118.94 116.94 3kdv s TRP 36 Ca 0.00 1.56 0.08 0.00 0.02 0.00 0.00 56.10 57.75 3kdv s TRP 36 Cb 0.00 -2.81 -0.05 0.00 -1.15 0.00 0.00 33.47 29.46 3kdv s TRP 36 CO 0.00 -0.12 -0.13 0.95 0.02 0.00 0.00 176.95 177.68 3kdv s THR 37 N -2.21 1.76 -0.06 2.01 -4.23 -0.92 -4.19 115.64 107.80 3kdv s THR 37 Ca 0.61 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 3kdv s THR 37 Cb -0.09 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.61 3kdv s THR 37 CO 0.15 -0.51 0.01 -0.55 -0.54 0.00 0.00 174.62 173.18 3kdv s SER 38 N -3.36 1.45 0.06 3.99 0.15 -1.26 -0.21 113.70 114.53 3kdv s SER 38 Ca 0.25 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.84 3kdv s SER 38 Cb 0.00 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3kdv s SER 38 CO 0.09 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3kdv n GLY 39 N 5.08 -1.88 3.66 9.45 0.00 -1.26 -4.95 105.19 115.30 3kdv n GLY 39 Ca -0.08 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 3kdv n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdv s GLU 40 N 0.00 2.41 -0.04 1.61 0.41 -1.26 -5.04 118.70 116.79 3kdv s GLU 40 Ca 0.00 -1.11 -0.30 0.00 -0.41 0.00 0.00 54.97 53.15 3kdv s GLU 40 Cb 0.00 -2.36 -0.05 0.00 -1.78 0.00 0.00 34.13 29.94 3kdv s GLU 40 CO 0.00 0.45 1.45 0.08 -0.49 0.00 0.00 175.26 176.76 3kdv s VAL 41 N -1.74 3.74 0.48 2.63 1.01 -1.26 -4.99 120.40 120.27 3kdv s VAL 41 Ca 0.28 1.04 -0.23 0.00 0.00 0.00 0.00 61.98 63.07 3kdv s VAL 41 Cb -0.09 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 3kdv s VAL 41 CO 0.19 -0.04 1.26 -2.84 0.00 0.00 0.00 175.10 173.67 3kdv s PRO 42 N 3.00 3.59 0.09 2.72 0.02 -1.26 -4.84 135.00 138.32 3kdv s PRO 42 Ca 0.65 2.02 -0.34 0.00 0.02 0.00 0.00 61.00 63.36 3kdv s PRO 42 Cb -0.31 -2.43 -0.13 0.00 0.02 0.00 0.00 34.50 31.65 3kdv s PRO 42 CO 0.25 -0.76 1.67 0.28 -0.33 0.00 0.00 177.00 178.11 3kdv n VAL 43 N -0.54 0.17 -1.00 3.83 0.31 -1.26 0.93 118.33 120.77 3kdv n VAL 43 Ca 0.08 -0.03 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3kdv n VAL 43 Cb 0.46 -1.65 -0.00 0.00 -0.91 0.00 0.00 33.84 31.74 3kdv n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kdv n GLY 44 N 3.71 0.40 0.00 2.92 0.00 -1.26 -4.91 105.19 106.05 3kdv n GLY 44 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kdv n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdv n GLY 45 N -2.17 -0.20 3.52 -0.02 0.00 0.26 -4.65 105.19 101.94 3kdv n GLY 45 Ca -0.00 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 3kdv n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kdv n TYR 46 N 0.09 -0.12 -4.45 1.61 4.02 0.09 -4.68 117.16 113.71 3kdv n TYR 46 Ca 0.00 0.43 -0.33 0.00 -0.01 0.00 0.00 57.90 58.00 3kdv n TYR 46 Cb 0.00 -2.02 -0.16 0.00 -0.02 0.00 0.00 39.34 37.14 3kdv n TYR 46 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3kdv s GLN 47 N -2.38 3.04 0.24 -0.72 -0.21 -1.26 -2.80 119.66 115.56 3kdv s GLN 47 Ca 0.72 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 55.30 3kdv s GLN 47 Cb -0.43 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 3kdv s GLN 47 CO 0.51 -0.08 0.01 -0.06 -2.12 0.00 0.00 175.29 173.55 3kdv s PHE 48 N 0.99 1.59 0.49 0.91 0.08 -1.18 -5.04 117.98 115.83 3kdv s PHE 48 Ca -0.03 -0.94 -0.22 0.00 0.12 0.00 0.00 56.93 55.86 3kdv s PHE 48 Cb -0.15 -0.93 -0.06 0.00 -0.57 0.00 0.00 43.02 41.31 3kdv s PHE 48 CO -0.06 -0.06 1.24 -2.14 -0.10 0.00 0.00 175.22 174.11 3kdv s PRO 49 N -3.88 3.51 0.22 0.24 0.02 -1.26 -1.45 135.00 132.41 3kdv s PRO 49 Ca 0.30 1.95 -0.07 0.00 0.02 0.00 0.00 61.00 63.19 3kdv s PRO 49 Cb 0.06 -2.34 0.19 0.00 0.02 0.00 0.00 34.50 32.43 3kdv s PRO 49 CO 0.09 -0.81 1.83 1.25 -0.33 0.00 0.00 177.00 179.03 3kdv h LEU 50 N 1.80 1.12 -0.80 -5.54 6.46 -1.72 -3.00 115.31 113.63 3kdv h LEU 50 Ca -0.50 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.10 3kdv h LEU 50 Cb 1.27 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 3kdv h LEU 50 CO 0.59 0.93 0.36 -0.33 -0.62 0.00 0.00 178.44 179.37 3kdv h GLU 51 N 1.23 1.16 0.00 1.25 5.08 -1.91 -3.04 114.58 118.34 3kdv h GLU 51 Ca 0.30 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3kdv h GLU 51 Cb 0.09 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3kdv h GLU 51 CO -0.04 0.91 0.28 0.09 -1.00 0.00 0.00 179.01 179.25 3kdv n ASN 52 N -4.33 0.24 -0.18 1.42 3.02 -1.13 -3.74 115.26 110.55 3kdv n ASN 52 Ca 0.07 0.48 -0.08 0.00 -0.03 0.00 0.00 54.58 55.02 3kdv n ASN 52 Cb 0.15 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 38.90 3kdv n ASN 52 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3kdv h GLU 53 N 0.00 0.78 0.00 3.52 4.22 -1.70 -2.73 114.58 118.67 3kdv h GLU 53 Ca 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.26 3kdv h GLU 53 Cb 0.57 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kdv h GLU 53 CO 0.00 0.70 -0.12 -1.35 -2.18 0.00 0.00 179.01 176.06 3kdv h PRO 54 N 0.69 0.00 -0.40 0.92 0.11 -1.85 -3.23 132.00 128.24 3kdv h PRO 54 Ca 0.17 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.99 3kdv h PRO 54 Cb 0.23 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 30.97 3kdv h PRO 54 CO -0.01 0.12 -0.98 -0.40 -0.21 0.00 0.00 178.00 176.52 3kdv n ASP 55 N -3.42 2.30 -4.73 -2.05 5.75 -1.20 -5.08 116.55 108.12 3kdv n ASP 55 Ca -0.01 -2.60 -0.41 0.00 -0.01 0.00 0.00 54.79 51.75 3kdv n ASP 55 Cb 0.29 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3kdv n ASP 55 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kdv s PHE 56 N -3.04 3.34 -0.66 2.11 5.36 -1.03 -2.23 117.98 121.83 3kdv s PHE 56 Ca 0.35 1.26 -0.27 0.00 -0.96 0.00 0.00 56.93 57.30 3kdv s PHE 56 Cb 0.36 -3.53 0.03 0.00 -0.34 0.00 0.00 43.02 39.54 3kdv s PHE 56 CO -0.05 -1.65 1.22 0.34 -1.46 0.00 0.00 175.22 173.63 3kdv s ASP 57 N 0.49 6.30 0.54 6.13 -1.08 -0.67 -4.72 116.67 123.67 3kdv s ASP 57 Ca 0.57 -0.20 0.35 0.00 -0.52 0.00 0.00 52.55 52.75 3kdv s ASP 57 Cb -0.34 -2.55 1.57 0.00 -1.46 0.00 0.00 42.92 40.14 3kdv s ASP 57 CO 0.35 -1.64 2.04 -0.50 0.52 0.00 0.00 175.17 175.94 3kdv h TRP 58 N 9.77 0.00 0.00 -5.34 4.06 -1.90 -2.62 115.95 119.92 3kdv h TRP 58 Ca -0.27 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.63 3kdv h TRP 58 Cb 1.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 3kdv h TRP 58 CO 1.08 0.00 -0.28 0.66 -3.56 0.00 0.00 178.44 176.34 3kdv h SER 59 N 0.00 0.00 -0.82 -3.49 4.64 -1.87 -0.98 113.55 111.02 3kdv h SER 59 Ca 0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 3kdv h SER 59 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3kdv h SER 59 CO 0.00 0.28 0.79 -0.07 -0.87 0.00 0.00 176.83 176.97 3kdv h LEU 60 N 0.00 0.00 -2.84 5.97 3.38 -1.71 -1.42 115.31 118.69 3kdv h LEU 60 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kdv h LEU 60 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3kdv h LEU 60 CO 0.04 0.00 -0.35 2.30 0.09 0.00 0.00 178.44 180.52 3kdv n ILE 61 N -3.69 1.47 -2.04 1.22 -5.35 -0.92 -4.94 119.36 105.10 3kdv n ILE 61 Ca 0.17 -2.06 -0.05 0.00 -0.27 0.00 0.00 62.75 60.54 3kdv n ILE 61 Cb 1.07 0.02 -0.00 0.00 -1.74 0.00 0.00 39.64 38.99 3kdv n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdv n GLY 62 N -0.90 0.19 3.47 3.28 0.00 -0.53 -4.89 105.19 105.81 3kdv n GLY 62 Ca 0.13 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3kdv n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdv s ALA 63 N -2.27 2.70 0.13 4.61 0.00 -0.42 -4.51 121.76 122.00 3kdv s ALA 63 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.25 3kdv s ALA 63 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3kdv s ALA 63 CO 0.00 0.35 -0.08 -0.98 0.00 0.00 0.00 175.76 175.05 3kdv s ARG 64 N -3.13 0.97 0.49 0.00 1.70 -0.55 -3.39 118.95 115.03 3kdv s ARG 64 Ca 0.26 -1.41 -0.21 0.00 -0.47 0.00 0.00 55.73 53.90 3kdv s ARG 64 Cb -0.07 -0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 33.81 3kdv s ARG 64 CO 0.13 0.02 1.09 0.15 -1.08 0.00 0.00 175.30 175.62 3kdv s LYS 65 N -3.79 3.71 -0.28 3.89 1.02 -1.26 0.10 119.74 123.12 3kdv s LYS 65 Ca 0.15 1.55 -0.16 0.00 0.02 0.00 0.00 55.97 57.53 3kdv s LYS 65 Cb 0.04 -2.19 0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3kdv s LYS 65 CO -0.01 -0.54 0.75 -0.46 -0.92 0.00 0.00 175.35 174.16 3kdv s TRP 66 N -1.78 -0.98 -0.27 3.18 -0.00 -1.26 -4.84 118.94 112.99 3kdv s TRP 66 Ca 0.67 1.94 -0.18 0.00 -0.00 0.00 0.00 56.10 58.53 3kdv s TRP 66 Cb -0.22 0.59 -0.03 0.00 -0.00 0.00 0.00 33.47 33.81 3kdv s TRP 66 CO 0.26 -0.49 0.51 0.99 -0.00 0.00 0.00 176.95 178.22 3kdv s THR 67 N 1.68 5.07 0.47 5.86 2.01 -1.26 -4.55 115.64 124.91 3kdv s THR 67 Ca -0.09 0.81 -0.07 0.00 0.31 0.00 0.00 61.69 62.64 3kdv s THR 67 Cb -0.05 -3.84 0.11 0.00 0.01 0.00 0.00 72.50 68.73 3kdv s THR 67 CO -0.19 0.06 0.64 -0.46 -0.69 0.00 0.00 174.62 173.98 3kdv n ASN 68 N 5.56 0.16 -0.19 3.53 0.23 -1.04 -4.93 115.26 118.58 3kdv n ASN 68 Ca -0.04 -1.30 -0.05 0.00 -0.53 0.00 0.00 54.58 52.66 3kdv n ASN 68 Cb 0.50 -0.48 0.04 0.00 -2.08 0.00 0.00 39.78 37.76 3kdv n ASN 68 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3kdv h PRO 69 N 0.00 0.66 -7.19 -0.53 0.11 -1.97 -3.35 132.00 119.73 3kdv h PRO 69 Ca -0.21 -0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.38 3kdv h PRO 69 Cb 0.60 -0.15 0.04 0.00 0.11 0.00 0.00 31.00 31.60 3kdv h PRO 69 CO 0.16 0.44 0.38 -1.21 -0.21 0.00 0.00 178.00 177.55 3kdv s GLU 70 N -6.14 3.60 -1.54 1.05 8.01 -1.26 -4.89 118.70 117.53 3kdv s GLU 70 Ca -0.13 1.10 -0.10 0.00 0.01 0.00 0.00 54.97 55.85 3kdv s GLU 70 Cb 0.13 -2.08 -0.03 0.00 -4.31 0.00 0.00 34.13 27.85 3kdv s GLU 70 CO 0.75 -0.57 2.73 0.41 0.01 0.00 0.00 175.26 178.58 3kdv n GLY 71 N -1.24 4.46 3.63 -1.39 0.00 -1.26 -4.87 105.19 104.52 3kdv n GLY 71 Ca 0.08 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 3kdv n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kdv s GLU 72 N 1.69 3.74 0.36 1.61 2.12 -1.26 -4.95 118.70 122.00 3kdv s GLU 72 Ca 0.63 -0.38 -0.09 0.00 0.36 0.00 0.00 54.97 55.50 3kdv s GLU 72 Cb 0.17 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 3kdv s GLU 72 CO -0.07 0.36 0.69 -1.21 -0.54 0.00 0.00 175.26 174.49 3kdv s GLU 73 N 0.09 3.73 -0.04 4.30 2.02 -1.26 -2.48 118.70 125.05 3kdv s GLU 73 Ca 0.04 0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.37 3kdv s GLU 73 Cb -0.13 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 3kdv s GLU 73 CO 0.01 0.07 -0.16 0.96 0.02 0.00 0.00 175.26 176.16 3kdv s ILE 75 N -2.25 1.33 -0.18 -1.63 -4.36 -0.91 -4.61 121.20 108.60 3kdv s ILE 75 Ca 0.49 -0.66 -0.10 0.00 -0.26 0.00 0.00 60.65 60.12 3kdv s ILE 75 Cb -0.10 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 3kdv s ILE 75 CO 0.30 0.39 0.14 -0.76 0.24 0.00 0.00 174.94 175.25 3kdv s LEU 76 N 0.09 4.24 -0.11 0.37 1.43 0.11 -1.48 118.68 123.34 3kdv s LEU 76 Ca -0.04 0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3kdv s LEU 76 Cb -0.11 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.06 3kdv s LEU 76 CO 0.02 0.21 0.26 -2.28 0.23 0.00 0.00 176.35 174.79 3kdv s HIS 77 N 0.13 -0.36 -1.82 0.29 2.46 -0.35 -1.49 115.29 114.16 3kdv s HIS 77 Ca 0.10 0.84 -0.22 0.00 0.47 0.00 0.00 55.06 56.25 3kdv s HIS 77 Cb -0.11 0.05 0.22 0.00 -0.13 0.00 0.00 32.58 32.61 3kdv s HIS 77 CO -0.01 -0.26 0.64 0.54 -2.47 0.00 0.00 174.74 173.19 3kdv n ARG 78 N 4.38 -1.36 -0.93 2.88 1.74 -1.26 0.37 116.66 122.46 3kdv n ARG 78 Ca -0.23 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3kdv n ARG 78 Cb 0.53 -4.82 0.00 0.00 -1.02 0.00 0.00 32.46 27.15 3kdv n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdv n GLY 79 N -1.13 0.52 3.48 -0.13 0.00 -1.26 -5.05 105.19 101.61 3kdv n GLY 79 Ca 0.11 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3kdv n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kdv s HIS 80 N -2.00 2.48 -0.16 1.61 3.76 0.16 -5.13 115.29 116.01 3kdv s HIS 80 Ca 0.00 -0.29 -0.06 0.00 -0.15 0.00 0.00 55.06 54.56 3kdv s HIS 80 Cb 0.00 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 3kdv s HIS 80 CO 0.00 0.44 0.04 0.00 -0.85 0.00 0.00 174.74 174.37 3kdv s ALA 81 N -1.38 3.36 0.01 -1.40 0.00 -1.26 -1.21 121.76 119.88 3kdv s ALA 81 Ca 0.20 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.47 3kdv s ALA 81 Cb -0.09 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 3kdv s ALA 81 CO 0.11 0.30 -0.22 0.71 0.00 0.00 0.00 175.76 176.66 3kdv s TYR 82 N 0.02 1.93 0.04 0.00 2.02 -0.55 -4.69 117.35 116.12 3kdv s TYR 82 Ca 0.05 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3kdv s TYR 82 Cb -0.12 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3kdv s TYR 82 CO 0.01 0.04 0.10 -0.98 -1.57 0.00 0.00 175.55 173.15 3kdv s ARG 83 N -0.86 3.05 0.11 -0.62 1.70 -1.26 -2.13 118.95 118.94 3kdv s ARG 83 Ca 0.08 -0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 54.51 3kdv s ARG 83 Cb -0.09 -2.84 -0.06 0.00 -0.57 0.00 0.00 34.95 31.39 3kdv s ARG 83 CO 0.01 0.61 0.89 0.50 -1.08 0.00 0.00 175.30 176.23 3kdv s ARG 84 N -2.09 4.64 -0.10 3.89 3.52 -1.26 -4.18 118.95 123.37 3kdv s ARG 84 Ca 0.27 1.32 -0.09 0.00 -0.13 0.00 0.00 55.73 57.10 3kdv s ARG 84 Cb -0.12 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3kdv s ARG 84 CO 0.19 0.28 0.27 -0.98 -0.81 0.00 0.00 175.30 174.25 3kdv s ARG 85 N -0.19 0.31 0.22 5.12 1.70 -0.41 -4.99 118.95 120.71 3kdv s ARG 85 Ca 0.43 0.38 0.05 0.00 -0.47 0.00 0.00 55.73 56.12 3kdv s ARG 85 Cb -0.23 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.27 3kdv s ARG 85 CO 0.28 -0.04 0.32 -1.21 -1.08 0.00 0.00 175.30 173.57 3kdv s GLU 86 N 0.17 3.37 0.04 3.89 2.02 -1.26 -0.39 118.70 126.53 3kdv s GLU 86 Ca -0.00 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.25 3kdv s GLU 86 Cb -0.02 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 3kdv s GLU 86 CO 0.00 0.45 -0.07 -0.51 0.02 0.00 0.00 175.26 175.15 3kdv s LEU 87 N -3.76 2.23 -0.29 1.80 1.02 -0.39 -4.95 118.68 114.34 3kdv s LEU 87 Ca 0.34 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 54.02 3kdv s LEU 87 Cb -0.09 -0.15 0.17 0.00 0.02 0.00 0.00 46.19 46.13 3kdv s LEU 87 CO 0.28 -0.18 0.48 -1.61 0.02 0.00 0.00 176.35 175.34 3kdv s GLU 88 N -1.41 0.47 -0.29 1.70 2.02 -1.26 -2.06 118.70 117.88 3kdv s GLU 88 Ca -0.09 0.41 0.01 0.00 0.02 0.00 0.00 54.97 55.32 3kdv s GLU 88 Cb -0.09 -0.06 0.09 0.00 0.10 0.00 0.00 34.13 34.17 3kdv s GLU 88 CO 0.00 -0.94 0.04 0.08 0.02 0.00 0.00 175.26 174.46 3kdv s VAL 90 N 2.67 1.40 0.08 2.63 1.01 -1.26 -5.25 120.40 121.67 3kdv s VAL 90 Ca 0.11 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.54 3kdv s VAL 90 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3kdv s VAL 90 CO -0.26 -0.46 0.02 -1.81 0.00 0.00 0.00 175.10 172.59 3kdv s ASP 91 N 1.38 0.39 0.04 3.32 1.01 -0.87 -4.75 116.67 117.20 3kdv s ASP 91 Ca 0.05 -1.02 0.08 0.00 0.71 0.00 0.00 52.55 52.38 3kdv s ASP 91 Cb -0.18 0.25 -0.03 0.00 1.01 0.00 0.00 42.92 43.96 3kdv s ASP 91 CO -0.14 -0.65 -0.24 -0.44 0.21 0.00 0.00 175.17 173.91 3kdv s SER 92 N -2.95 3.37 -0.03 0.27 0.01 -0.80 -1.26 113.70 112.31 3kdv s SER 92 Ca 0.12 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 3kdv s SER 92 Cb 0.07 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.94 3kdv s SER 92 CO -0.07 0.26 0.06 -0.60 0.41 0.00 0.00 173.24 173.30 3kdv s ARG 93 N -1.27 0.00 -0.14 12.44 3.52 0.47 -1.18 118.95 132.80 3kdv s ARG 93 Ca 0.13 0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.92 3kdv s ARG 93 Cb -0.10 -0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.08 3kdv s ARG 93 CO 0.03 -0.14 -0.08 0.15 -0.81 0.00 0.00 175.30 174.45 3kdv s LYS 94 N 0.93 3.48 0.12 5.12 -0.14 -0.64 -1.28 119.74 127.32 3kdv s LYS 94 Ca -0.08 -0.59 -0.25 0.00 -1.36 0.00 0.00 55.97 53.69 3kdv s LYS 94 Cb -0.11 -2.77 0.08 0.00 -1.68 0.00 0.00 37.83 33.35 3kdv s LYS 94 CO -0.03 0.27 1.05 -1.59 -0.76 0.00 0.00 175.35 174.29 3kdv s LYS 96 N 0.25 1.05 0.25 1.68 -2.85 0.38 -1.72 119.74 118.78 3kdv s LYS 96 Ca -0.05 -0.61 -0.17 0.00 -1.00 0.00 0.00 55.97 54.13 3kdv s LYS 96 Cb -0.15 0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 35.88 3kdv s LYS 96 CO 0.04 -0.49 0.70 -0.48 0.10 0.00 0.00 175.35 175.22 3kdv s LEU 97 N -3.10 4.23 0.77 2.77 2.34 -1.26 -1.72 118.68 122.70 3kdv s LEU 97 Ca 0.16 1.29 -0.11 0.00 0.06 0.00 0.00 54.13 55.53 3kdv s LEU 97 Cb -0.00 -3.74 0.06 0.00 -0.56 0.00 0.00 46.19 41.94 3kdv s LEU 97 CO 0.02 -0.05 1.09 -2.84 -1.06 0.00 0.00 176.35 173.50 3kdv s PRO 98 N -2.40 2.28 0.15 1.48 0.02 -1.26 -4.75 135.00 130.52 3kdv s PRO 98 Ca 0.47 0.73 -0.02 0.00 0.02 0.00 0.00 61.00 62.20 3kdv s PRO 98 Cb -0.14 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.46 3kdv s PRO 98 CO 0.19 -1.51 0.24 0.00 -0.33 0.00 0.00 177.00 175.60 3kdv n ALA 99 N -3.37 -0.30 -0.32 -1.55 0.00 -1.26 -5.05 120.51 108.66 3kdv n ALA 99 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 3kdv n ALA 99 Cb 0.55 0.52 0.13 0.00 0.00 0.00 0.00 19.45 20.66 3kdv n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdv h ALA 100 N 1.77 1.27 -1.67 0.00 0.00 -2.08 -3.34 119.26 115.22 3kdv h ALA 100 Ca -0.12 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.06 3kdv h ALA 100 Cb 0.51 -0.36 -0.15 0.00 0.00 0.00 0.00 17.79 17.79 3kdv h ALA 100 CO 0.16 0.63 0.59 0.54 0.00 0.00 0.00 179.25 181.17 3kdv s VAL 101 N -5.91 4.35 0.05 0.00 0.11 -1.26 -4.96 120.40 112.78 3kdv s VAL 101 Ca -0.12 -0.48 -0.27 0.00 -2.93 0.00 0.00 61.98 58.17 3kdv s VAL 101 Cb 0.17 -4.70 0.09 0.00 -1.53 0.00 0.00 36.38 30.41 3kdv s VAL 101 CO 0.81 -1.48 0.84 -0.75 -3.33 0.00 0.00 175.10 171.20 3kdv s LYS 102 N 3.96 0.97 0.00 1.54 2.47 -1.26 -5.08 119.74 122.33 3kdv s LYS 102 Ca 0.24 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 3kdv s LYS 102 Cb -0.15 0.43 0.00 0.00 -1.46 0.00 0.00 37.83 36.64 3kdv s LYS 102 CO 0.08 -0.43 0.01 2.48 0.16 0.00 0.00 175.35 177.66 3kdv n TYR 103 N -0.30 0.00 -3.76 4.03 -0.00 -1.26 -5.09 117.16 110.77 3kdv n TYR 103 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.76 3kdv n TYR 103 Cb 0.62 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.95 3kdv n TYR 103 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3kdv s SER 104 N -0.43 -0.20 0.00 9.48 0.15 -1.26 -5.19 113.70 116.25 3kdv s SER 104 Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3kdv s SER 104 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 3kdv s SER 104 CO 0.00 -0.99 0.00 0.54 1.20 0.00 0.00 173.24 173.99 3kdv n ARG 105 N -0.46 0.00 -0.11 5.44 3.00 -1.26 -4.82 116.66 118.44 3kdv n ARG 105 Ca -0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.53 3kdv n ARG 105 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.95 3kdv n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kdv n GLY 106 N -0.62 -0.62 3.48 -0.13 0.00 -1.26 -4.97 105.19 101.07 3kdv n GLY 106 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3kdv n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdv n ALA 107 N -3.74 0.47 -2.78 4.61 0.00 -1.26 -4.71 120.51 113.10 3kdv n ALA 107 Ca -0.43 -2.18 -0.34 0.00 0.00 0.00 0.00 53.44 50.49 3kdv n ALA 107 Cb 0.82 1.27 -0.11 0.00 0.00 0.00 0.00 19.45 21.43 3kdv n ALA 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kdv s LYS 108 N -3.71 3.28 -0.08 0.00 3.01 -0.70 -4.92 119.74 116.61 3kdv s LYS 108 Ca 0.07 -0.48 0.01 0.00 -1.01 0.00 0.00 55.97 54.55 3kdv s LYS 108 Cb 0.00 -2.82 -0.03 0.00 -1.01 0.00 0.00 37.83 33.98 3kdv s LYS 108 CO 0.05 0.48 -0.09 -0.80 0.51 0.00 0.00 175.35 175.49 3kdv s ASN 109 N -0.28 4.40 -0.03 2.83 0.02 -1.26 -0.47 114.94 120.15 3kdv s ASN 109 Ca 0.05 -0.13 -0.23 0.00 -1.02 0.00 0.00 52.86 51.53 3kdv s ASN 109 Cb -0.12 -1.21 -0.21 0.00 0.02 0.00 0.00 41.25 39.72 3kdv s ASN 109 CO 0.02 0.31 1.13 0.74 0.02 0.00 0.00 177.10 179.32 3kdv h THR 110 N 4.54 1.48 -1.74 1.60 2.02 -1.67 -3.26 112.91 115.88 3kdv h THR 110 Ca -0.43 -1.71 0.25 0.00 0.77 0.00 0.00 66.41 65.29 3kdv h THR 110 Cb 1.17 2.49 -0.14 0.00 -1.74 0.00 0.00 68.15 69.94 3kdv h THR 110 CO 0.53 0.47 0.71 1.51 0.37 0.00 0.00 175.52 179.12 3kdv s ASP 111 N -6.21 -0.14 -0.14 4.18 -4.77 -1.24 -0.73 116.67 107.61 3kdv s ASP 111 Ca -0.15 -0.13 0.01 0.00 -3.30 0.00 0.00 52.55 48.97 3kdv s ASP 111 Cb 0.02 0.25 -0.01 0.00 -1.09 0.00 0.00 42.92 42.09 3kdv s ASP 111 CO 0.74 -0.44 -0.15 -2.16 0.70 0.00 0.00 175.17 173.85 3kdv s PRO 112 N -2.69 3.27 -0.72 2.11 0.05 -1.12 -1.63 135.00 134.27 3kdv s PRO 112 Ca 0.11 -0.74 -0.27 0.00 0.05 0.00 0.00 61.00 60.16 3kdv s PRO 112 Cb 0.01 -2.58 0.02 0.00 0.05 0.00 0.00 34.50 32.00 3kdv s PRO 112 CO -0.04 0.13 1.37 -1.21 0.05 0.00 0.00 177.00 177.31 3kdv s GLU 113 N 0.53 3.11 -0.08 4.56 8.01 -0.32 -3.08 118.70 131.44 3kdv s GLU 113 Ca -0.10 -0.12 -0.09 0.00 0.01 0.00 0.00 54.97 54.67 3kdv s GLU 113 Cb -0.16 -4.23 -0.03 0.00 -4.31 0.00 0.00 34.13 25.40 3kdv s GLU 113 CO 0.04 -2.24 -0.17 1.58 0.01 0.00 0.00 175.26 174.48 3kdv n HIS 114 N 9.89 0.00 -3.52 1.61 -0.00 -0.53 -1.91 115.22 120.76 3kdv n HIS 114 Ca 0.06 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.16 3kdv n HIS 114 Cb 0.49 -0.24 -0.02 0.00 -0.12 0.00 0.00 29.99 30.10 3kdv n HIS 114 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 3kdv s VAL 115 N -2.04 0.00 -1.87 3.57 -7.23 -1.24 -4.13 120.40 107.47 3kdv s VAL 115 Ca -0.14 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 3kdv s VAL 115 Cb 0.02 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.84 3kdv s VAL 115 CO 0.21 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.54 3kdv n ARG 116 N -0.29 0.00 -3.47 4.82 3.00 -1.26 -4.06 116.66 115.41 3kdv n ARG 116 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.38 3kdv n ARG 116 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 33.01 3kdv n ARG 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3kdv s GLU 117 N -0.75 4.24 0.10 5.56 4.04 -1.26 -4.64 118.70 125.98 3kdv s GLU 117 Ca 0.00 0.16 -0.33 0.00 0.04 0.00 0.00 54.97 54.83 3kdv s GLU 117 Cb 0.00 -3.47 -0.13 0.00 0.02 0.00 0.00 34.13 30.56 3kdv s GLU 117 CO 0.00 0.14 1.71 1.17 -1.84 0.00 0.00 175.26 176.44 3kdv n LYS 118 N 3.89 2.34 -3.35 -4.83 4.81 -1.26 -4.84 118.16 114.91 3kdv n LYS 118 Ca -0.10 0.85 -0.43 0.00 -0.87 0.00 0.00 58.31 57.75 3kdv n LYS 118 Cb 0.52 -2.67 -0.09 0.00 0.02 0.00 0.00 35.03 32.81 3kdv n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kdv s ALA 119 N 2.06 3.45 0.00 3.14 0.00 -1.26 -4.99 121.76 124.15 3kdv s ALA 119 Ca 0.82 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3kdv s ALA 119 Cb -0.63 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3kdv s ALA 119 CO 0.41 -1.59 0.00 -3.47 0.00 0.00 0.00 175.76 171.11 3kdv n ASP 120 N 5.50 0.00 0.31 0.00 -0.08 -1.26 -3.81 116.55 117.20 3kdv n ASP 120 Ca -0.08 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.39 3kdv n ASP 120 Cb 0.47 0.00 1.03 0.00 2.34 0.00 0.00 41.12 44.96 3kdv n ASP 120 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3kdv h GLY 121 N 0.00 0.00 0.60 0.27 0.00 -1.94 -0.57 103.07 101.43 3kdv h GLY 121 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3kdv h GLY 121 CO 0.00 0.00 0.41 1.05 0.00 0.00 0.00 176.54 178.00 3kdv h GLU 122 N 0.00 0.71 -0.00 4.80 4.11 -2.01 -0.26 114.58 121.93 3kdv h GLU 122 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3kdv h GLU 122 Cb 0.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kdv h GLU 122 CO -0.00 0.47 -0.31 1.19 0.07 0.00 0.00 179.01 180.43 3kdv n PHE 123 N -4.77 0.00 -2.88 2.06 3.72 -0.22 -4.93 117.46 110.43 3kdv n PHE 123 Ca 0.11 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.22 3kdv n PHE 123 Cb 0.22 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 38.44 3kdv n PHE 123 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kdv s GLU 124 N -2.91 3.65 -0.31 -1.08 8.01 -0.11 -1.67 118.70 124.27 3kdv s GLU 124 Ca 0.15 0.25 -0.28 0.00 0.01 0.00 0.00 54.97 55.09 3kdv s GLU 124 Cb 0.18 -2.44 -0.04 0.00 -4.31 0.00 0.00 34.13 27.52 3kdv s GLU 124 CO 0.62 -0.05 2.13 0.71 0.01 0.00 0.00 175.26 178.69 3kdv s TYR 125 N -2.46 1.33 0.00 1.61 2.02 -0.94 -4.60 117.35 114.30 3kdv s TYR 125 Ca 0.48 0.75 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 3kdv s TYR 125 Cb -0.10 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 3kdv s TYR 125 CO 0.36 -3.46 0.00 1.33 -1.57 0.00 0.00 175.55 172.22