#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdv h PRO -2 N 0.00 0.00 -0.41 -0.67 0.11 -2.06 -1.55 132.00 127.42 3kdv h PRO -2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kdv h PRO -2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kdv h PRO -2 CO 0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 3kdv n PHE -1 N -2.32 0.99 -3.83 0.65 3.72 -1.26 -5.14 117.46 110.26 3kdv n PHE -1 Ca -0.01 -0.68 -0.30 0.00 -0.05 0.00 0.00 57.45 56.41 3kdv n PHE -1 Cb 0.32 -0.21 -0.15 0.00 -0.94 0.00 0.00 39.48 38.50 3kdv n PHE -1 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kdv s THR 0 N -1.96 1.38 0.10 4.37 -4.23 -0.59 -5.21 115.64 109.49 3kdv s THR 0 Ca 0.39 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 3kdv s THR 0 Cb 0.27 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 72.15 3kdv s THR 0 CO 0.16 -0.65 0.65 -0.76 -0.54 0.00 0.00 174.62 173.47 3kdv s LEU 2 N 1.35 -0.57 -0.05 4.79 1.02 -0.92 -4.22 118.68 120.08 3kdv s LEU 2 Ca 0.10 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.41 3kdv s LEU 2 Cb -0.18 2.52 0.02 0.00 0.02 0.00 0.00 46.19 48.58 3kdv s LEU 2 CO -0.19 -0.86 -0.04 -1.00 0.02 0.00 0.00 176.35 174.28 3kdv s HIS 3 N -3.14 0.79 -0.15 0.29 3.76 -1.26 -0.14 115.29 115.44 3kdv s HIS 3 Ca -0.01 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 3kdv s HIS 3 Cb -0.01 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 3kdv s HIS 3 CO -0.08 -0.22 -0.15 -1.50 -0.85 0.00 0.00 174.74 171.94 3kdv s ILE 4 N 1.05 2.75 -0.33 0.60 2.07 -0.18 -4.94 121.20 122.22 3kdv s ILE 4 Ca -0.09 -0.75 -0.18 0.00 -1.41 0.00 0.00 60.65 58.22 3kdv s ILE 4 Cb -0.14 -2.16 -0.01 0.00 0.13 0.00 0.00 42.46 40.28 3kdv s ILE 4 CO -0.01 0.52 0.51 -0.70 -1.91 0.00 0.00 174.94 173.35 3kdv s GLU 5 N 0.68 3.73 0.15 3.50 2.12 -1.26 -1.12 118.70 126.51 3kdv s GLU 5 Ca -0.07 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.26 3kdv s GLU 5 Cb -0.16 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 3kdv s GLU 5 CO 0.02 -0.57 0.10 -0.06 -0.54 0.00 0.00 175.26 174.21 3kdv s PHE 6 N 2.37 3.10 -0.22 5.30 0.08 -0.40 -4.28 117.98 123.93 3kdv s PHE 6 Ca 0.19 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 57.13 3kdv s PHE 6 Cb -0.15 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3kdv s PHE 6 CO 0.12 0.52 0.11 0.42 -0.10 0.00 0.00 175.22 176.29 3kdv s ILE 7 N -1.68 5.04 0.62 0.64 -1.09 0.12 -2.37 121.20 122.49 3kdv s ILE 7 Ca 0.30 0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.72 3kdv s ILE 7 Cb -0.10 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 3kdv s ILE 7 CO 0.22 0.39 0.94 -0.89 -1.23 0.00 0.00 174.94 174.37 3kdv s THR 8 N 0.82 3.46 0.63 2.92 2.01 -0.67 -1.82 115.64 123.00 3kdv s THR 8 Ca 0.06 0.03 0.30 0.00 0.31 0.00 0.00 61.69 62.38 3kdv s THR 8 Cb -0.13 -3.40 0.34 0.00 0.01 0.00 0.00 72.50 69.32 3kdv s THR 8 CO 0.02 -0.43 1.95 -2.24 -0.69 0.00 0.00 174.62 173.24 3kdv h ASP 9 N -0.28 0.00 -0.34 3.53 2.03 -1.87 0.10 116.42 119.59 3kdv h ASP 9 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3kdv h ASP 9 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3kdv h ASP 9 CO 0.61 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 179.00 3kdv n LEU 10 N -3.30 3.37 0.00 0.15 4.77 -1.26 -4.98 117.00 115.75 3kdv n LEU 10 Ca 0.02 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 3kdv n LEU 10 Cb 0.46 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3kdv n LEU 10 CO 0.20 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3kdv n GLY 11 N 0.21 0.83 3.81 -0.72 0.00 0.36 -5.02 105.19 104.65 3kdv n GLY 11 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.26 3.01 -0.57 4.61 0.00 -1.26 -4.65 121.76 119.64 3kdv s ALA 12 Ca 0.00 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 3kdv s ALA 12 Cb 0.00 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 20.03 3kdv s ALA 12 CO 0.00 0.00 0.68 0.21 0.00 0.00 0.00 175.76 176.65 3kdv s LYS 13 N -3.06 3.06 -0.11 0.00 2.20 -1.26 -1.67 119.74 118.91 3kdv s LYS 13 Ca 0.62 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 3kdv s LYS 13 Cb -0.12 -4.22 0.02 0.00 -1.51 0.00 0.00 37.83 31.99 3kdv s LYS 13 CO 0.16 -1.45 -0.12 0.08 -0.36 0.00 0.00 175.35 173.66 3kdv s VAL 14 N 2.65 1.29 -0.23 4.02 1.01 -1.00 -4.99 120.40 123.15 3kdv s VAL 14 Ca 0.12 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3kdv s VAL 14 Cb -0.23 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3kdv s VAL 14 CO 0.08 0.40 0.09 -0.89 0.00 0.00 0.00 175.10 174.77 3kdv s THR 15 N 1.25 4.66 -0.22 3.92 2.01 -1.26 -1.27 115.64 124.73 3kdv s THR 15 Ca -0.02 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 3kdv s THR 15 Cb -0.14 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3kdv s THR 15 CO -0.04 0.37 0.10 -0.69 -0.69 0.00 0.00 174.62 173.67 3kdv s VAL 16 N 1.12 4.86 0.36 3.82 1.01 -0.27 -4.91 120.40 126.39 3kdv s VAL 16 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 3kdv s VAL 16 Cb -0.14 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 3kdv s VAL 16 CO 0.04 0.39 1.26 -1.81 0.00 0.00 0.00 175.10 174.97 3kdv s ASP 17 N 0.95 6.65 -0.06 3.32 1.01 -1.26 -1.01 116.67 126.27 3kdv s ASP 17 Ca 0.05 2.57 0.05 0.00 0.71 0.00 0.00 52.55 55.93 3kdv s ASP 17 Cb -0.14 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 3kdv s ASP 17 CO 0.03 -0.61 -0.23 -0.69 0.21 0.00 0.00 175.17 173.88 3kdv s VAL 18 N -1.23 1.94 0.23 -1.27 1.01 0.80 -4.92 120.40 116.96 3kdv s VAL 18 Ca 0.52 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 3kdv s VAL 18 Cb -0.37 -1.65 0.18 0.00 0.00 0.00 0.00 36.38 34.54 3kdv s VAL 18 CO 0.48 0.54 1.79 -0.08 0.00 0.00 0.00 175.10 177.83 3kdv h GLU 19 N 6.22 0.63 -1.54 2.72 4.81 -1.91 -2.44 114.58 123.07 3kdv h GLU 19 Ca -0.30 -0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.18 3kdv h GLU 19 Cb 1.19 -0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.28 3kdv h GLU 19 CO 0.47 0.42 0.79 -1.54 -0.73 0.00 0.00 179.01 178.42 3kdv s SER 20 N -5.53 -0.10 0.38 1.04 1.04 -1.26 -4.68 113.70 104.58 3kdv s SER 20 Ca -0.13 -0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.31 3kdv s SER 20 Cb 0.18 0.18 0.88 0.00 0.10 0.00 0.00 66.02 67.37 3kdv s SER 20 CO 0.77 -0.32 1.88 0.00 0.98 0.00 0.00 173.24 176.54 3kdv h ALA 21 N 2.00 1.91 0.00 5.32 0.00 -1.90 -1.44 119.26 125.15 3kdv h ALA 21 Ca -0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kdv h ALA 21 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kdv h ALA 21 CO 0.26 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 3kdv n ASP 22 N -4.54 0.00 -0.80 0.00 5.75 -1.26 -2.56 116.55 113.14 3kdv n ASP 22 Ca 0.16 0.37 0.08 0.00 -0.01 0.00 0.00 54.79 55.40 3kdv n ASP 22 Cb 0.48 -0.42 0.15 0.00 -1.03 0.00 0.00 41.12 40.30 3kdv n ASP 22 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kdv n LYS 23 N -1.42 2.06 0.07 0.11 5.02 -0.54 -4.66 118.16 118.80 3kdv n LYS 23 Ca 0.03 -1.91 -0.13 0.00 -2.02 0.00 0.00 58.31 54.29 3kdv n LYS 23 Cb 0.11 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 3kdv n LYS 23 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kdv h LEU 24 N 3.11 -0.09 -1.37 -0.35 5.85 -1.60 -2.78 115.31 118.08 3kdv h LEU 24 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3kdv h LEU 24 Cb 0.77 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3kdv h LEU 24 CO 0.00 0.00 0.16 -0.07 -0.34 0.00 0.00 178.44 178.19 3kdv h LEU 25 N -0.18 0.53 -0.29 2.25 3.38 -1.83 -0.78 115.31 118.40 3kdv h LEU 25 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kdv h LEU 25 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kdv h LEU 25 CO 0.02 0.49 0.14 0.44 0.09 0.00 0.00 178.44 179.62 3kdv h ASP 26 N 0.59 0.37 -0.13 -0.43 3.32 -1.87 -0.51 116.42 117.76 3kdv h ASP 26 Ca 0.14 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3kdv h ASP 26 Cb 0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kdv h ASP 26 CO -0.01 0.38 -0.03 0.58 -1.72 0.00 0.00 179.24 178.44 3kdv h VAL 27 N 0.33 1.17 -0.25 -1.35 2.07 -1.01 -0.29 116.25 116.94 3kdv h VAL 27 Ca 0.10 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3kdv h VAL 27 Cb 0.11 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kdv h VAL 27 CO -0.01 0.23 -0.11 -0.61 0.02 0.00 0.00 177.57 177.08 3kdv h GLN 28 N 0.37 0.51 -0.40 1.57 4.15 -0.87 -2.59 115.11 117.85 3kdv h GLN 28 Ca 0.08 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 3kdv h GLN 28 Cb 0.29 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3kdv h GLN 28 CO 0.01 0.77 0.03 0.00 -1.93 0.00 0.00 178.83 177.71 3kdv h ARG 29 N 0.23 0.69 0.06 1.69 3.08 -0.69 0.25 114.38 119.70 3kdv h ARG 29 Ca 0.06 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3kdv h ARG 29 Cb 0.61 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3kdv h ARG 29 CO 0.03 0.76 -0.18 0.37 -1.07 0.00 0.00 179.97 179.88 3kdv h GLN 30 N 0.53 -0.32 0.00 0.04 4.15 -1.08 -1.43 115.11 117.00 3kdv h GLN 30 Ca 0.12 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3kdv h GLN 30 Cb 0.43 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3kdv h GLN 30 CO 0.01 -0.21 -0.32 1.88 -1.93 0.00 0.00 178.83 178.27 3kdv h TYR 31 N -0.33 0.00 -0.71 3.99 0.05 -1.50 -3.30 116.97 115.17 3kdv h TYR 31 Ca 0.04 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 3kdv h TYR 31 Cb 0.37 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 3kdv h TYR 31 CO -0.20 0.17 0.25 0.78 -1.05 0.00 0.00 178.16 178.11 3kdv h GLY 32 N 3.84 1.16 2.00 3.88 0.00 -0.69 -2.44 103.07 110.82 3kdv h GLY 32 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 3kdv h GLY 32 CO 0.02 0.62 -0.02 -0.09 0.00 0.00 0.00 176.54 177.08 3kdv h ARG 33 N 1.03 0.00 -0.00 4.80 2.43 -1.34 0.37 114.38 121.67 3kdv h ARG 33 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3kdv h ARG 33 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3kdv h ARG 33 CO -0.01 0.02 -0.12 1.28 -1.51 0.00 0.00 179.97 179.63 3kdv n LEU 34 N -3.29 0.18 0.00 3.80 4.77 -0.96 -4.91 117.00 116.60 3kdv n LEU 34 Ca -0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3kdv n LEU 34 Cb 0.12 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3kdv n LEU 34 CO 0.24 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3kdv n GLY 35 N 1.42 0.73 3.80 -0.72 0.00 0.12 -4.79 105.19 105.75 3kdv n GLY 35 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.02 3.24 0.24 1.61 0.52 -0.98 -4.67 118.94 116.88 3kdv s TRP 36 Ca 0.00 1.62 0.06 0.00 0.02 0.00 0.00 56.10 57.81 3kdv s TRP 36 Cb 0.00 -2.98 -0.05 0.00 -1.15 0.00 0.00 33.47 29.29 3kdv s TRP 36 CO 0.00 -0.41 -0.08 0.95 0.02 0.00 0.00 176.95 177.43 3kdv s THR 37 N -1.96 1.55 -0.12 2.01 -4.23 -0.75 -4.10 115.64 108.03 3kdv s THR 37 Ca 0.62 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3kdv s THR 37 Cb -0.15 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.47 3kdv s THR 37 CO 0.19 -0.43 0.02 -0.55 -0.54 0.00 0.00 174.62 173.32 3kdv s SER 38 N -3.36 2.10 0.00 3.99 0.15 -1.26 0.16 113.70 115.47 3kdv s SER 38 Ca 0.26 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.53 3kdv s SER 38 Cb 0.03 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 3kdv s SER 38 CO 0.09 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3kdv n GLY 39 N 5.13 -1.79 3.84 9.45 0.00 -1.26 -4.95 105.19 115.61 3kdv n GLY 39 Ca -0.07 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 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 2.97 0.09 1.61 0.41 -1.26 -5.01 118.70 117.51 3kdv s GLU 40 Ca 0.00 -1.02 -0.31 0.00 -0.41 0.00 0.00 54.97 53.23 3kdv s GLU 40 Cb 0.00 -2.60 -0.07 0.00 -1.78 0.00 0.00 34.13 29.69 3kdv s GLU 40 CO 0.00 0.41 1.31 0.08 -0.49 0.00 0.00 175.26 176.57 3kdv s VAL 41 N -2.10 3.63 0.63 2.63 1.01 -1.26 -5.01 120.40 119.93 3kdv s VAL 41 Ca 0.33 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.33 3kdv s VAL 41 Cb -0.08 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3kdv s VAL 41 CO 0.25 0.09 1.06 -2.84 0.00 0.00 0.00 175.10 173.66 3kdv s PRO 42 N 1.12 3.14 -0.17 2.72 0.02 -1.26 -4.87 135.00 135.69 3kdv s PRO 42 Ca 0.62 1.16 -0.33 0.00 0.02 0.00 0.00 61.00 62.47 3kdv s PRO 42 Cb -0.34 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.07 3kdv s PRO 42 CO 0.30 -0.95 2.01 0.28 -0.33 0.00 0.00 177.00 178.30 3kdv n VAL 43 N -2.38 0.46 -2.71 3.83 0.31 -1.26 -0.70 118.33 115.87 3kdv n VAL 43 Ca 0.09 -0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 3kdv n VAL 43 Cb 0.53 -1.94 0.04 0.00 -0.91 0.00 0.00 33.84 31.56 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 5.09 0.13 1.03 2.92 0.00 -1.26 -4.95 105.19 108.15 3kdv n GLY 44 Ca 0.28 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.08 -2.77 3.52 -0.02 0.00 0.12 -4.89 105.19 100.07 3kdv n GLY 45 Ca -0.10 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 3kdv n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdv s TYR 46 N -3.35 1.42 -0.23 1.61 1.51 0.45 -4.46 117.35 114.29 3kdv s TYR 46 Ca 0.00 1.27 -0.04 0.00 -1.01 0.00 0.00 57.07 57.29 3kdv s TYR 46 Cb 0.00 -3.14 0.08 0.00 -0.11 0.00 0.00 41.96 38.79 3kdv s TYR 46 CO 0.00 -3.69 0.09 -0.65 -1.11 0.00 0.00 175.55 170.19 3kdv s GLN 47 N -4.51 0.34 0.25 -0.62 -0.21 -1.26 -2.96 119.66 110.69 3kdv s GLN 47 Ca 0.68 -0.43 0.12 0.00 0.02 0.00 0.00 55.36 55.75 3kdv s GLN 47 Cb -0.24 -1.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.99 3kdv s GLN 47 CO 0.63 -0.81 -0.19 -0.06 -2.12 0.00 0.00 175.29 172.74 3kdv s PHE 48 N 1.99 2.33 0.26 0.91 0.08 -1.13 -5.04 117.98 117.39 3kdv s PHE 48 Ca 0.04 -0.33 -0.30 0.00 0.12 0.00 0.00 56.93 56.47 3kdv s PHE 48 Cb -0.16 -1.05 -0.14 0.00 -0.57 0.00 0.00 43.02 41.09 3kdv s PHE 48 CO -0.19 0.65 1.16 -2.30 -0.10 0.00 0.00 175.22 174.44 3kdv n PRO 49 N -0.41 1.53 -0.19 0.24 -0.02 -1.26 -2.04 135.00 132.86 3kdv n PRO 49 Ca -0.07 0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 61.91 3kdv n PRO 49 Cb 0.59 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 32.20 3kdv n PRO 49 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3kdv h LEU 50 N 2.83 0.89 -1.91 2.45 -0.00 -1.00 -2.68 115.31 115.89 3kdv h LEU 50 Ca -0.42 -0.14 0.01 0.00 -0.00 0.00 0.00 57.88 57.33 3kdv h LEU 50 Cb 1.32 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 3kdv h LEU 50 CO 0.66 0.83 0.09 1.05 -0.00 0.00 0.00 178.44 181.07 3kdv h GLU 51 N 0.93 0.11 0.00 0.17 -0.00 -1.86 -2.35 114.58 111.58 3kdv h GLU 51 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.56 3kdv h GLU 51 Cb 0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 3kdv h GLU 51 CO -0.01 0.07 0.00 0.09 -0.00 0.00 0.00 179.01 179.16 3kdv n ASN 52 N -4.51 0.00 -0.06 3.06 3.02 -1.01 -4.30 115.26 111.46 3kdv n ASN 52 Ca -0.01 0.46 -0.09 0.00 -0.03 0.00 0.00 54.58 54.92 3kdv n ASN 52 Cb 0.13 -0.48 0.08 0.00 -0.61 0.00 0.00 39.78 38.89 3kdv n ASN 52 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3kdv h GLU 53 N 0.00 0.71 0.00 3.52 3.07 -1.57 -2.95 114.58 117.37 3kdv h GLU 53 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3kdv h GLU 53 Cb 0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3kdv h GLU 53 CO 0.00 0.94 0.00 -0.35 -1.40 0.00 0.00 179.01 178.20 3kdv n PRO 54 N -4.06 0.18 -3.39 2.33 -0.04 -1.26 -4.36 135.00 124.40 3kdv n PRO 54 Ca -0.01 0.41 -0.17 0.00 -0.04 0.00 0.00 63.50 63.70 3kdv n PRO 54 Cb 0.49 -1.84 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 3kdv n PRO 54 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3kdv s ASP 55 N -4.14 1.53 -0.05 3.54 -4.77 -1.11 -5.14 116.67 106.52 3kdv s ASP 55 Ca 0.04 -0.83 -0.03 0.00 -3.30 0.00 0.00 52.55 48.44 3kdv s ASP 55 Cb 0.09 0.56 0.03 0.00 -1.09 0.00 0.00 42.92 42.51 3kdv s ASP 55 CO 0.38 -0.37 0.11 0.12 0.70 0.00 0.00 175.17 176.11 3kdv s PHE 56 N 2.26 -0.12 -1.09 2.11 5.36 -1.24 -4.44 117.98 120.82 3kdv s PHE 56 Ca 0.10 0.36 -0.22 0.00 -0.96 0.00 0.00 56.93 56.21 3kdv s PHE 56 Cb -0.14 -0.07 -0.00 0.00 -0.34 0.00 0.00 43.02 42.47 3kdv s PHE 56 CO -0.29 -0.12 1.75 0.34 -1.46 0.00 0.00 175.22 175.44 3kdv s ASP 57 N 0.83 5.91 0.31 6.13 -1.08 -1.06 -4.77 116.67 122.95 3kdv s ASP 57 Ca -0.06 -1.55 0.17 0.00 -0.52 0.00 0.00 52.55 50.58 3kdv s ASP 57 Cb -0.09 -2.57 0.90 0.00 -1.46 0.00 0.00 42.92 39.70 3kdv s ASP 57 CO -0.04 -2.09 1.46 0.79 0.52 0.00 0.00 175.17 175.81 3kdv n TRP 58 N 11.27 0.56 0.32 -5.34 7.02 -1.26 0.35 117.44 130.36 3kdv n TRP 58 Ca 0.41 0.29 0.13 0.00 -1.02 0.00 0.00 57.50 57.32 3kdv n TRP 58 Cb 0.48 -0.87 0.36 0.00 -2.42 0.00 0.00 31.31 28.85 3kdv n TRP 58 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kdv h SER 59 N 0.00 0.00 0.22 -0.99 4.64 -1.85 0.27 113.55 115.83 3kdv h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kdv h SER 59 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3kdv h SER 59 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 3kdv h LEU 60 N 0.00 0.00 -2.42 5.97 3.38 -0.41 -2.71 115.31 119.12 3kdv h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdv h LEU 60 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kdv h LEU 60 CO 0.00 0.00 -0.12 2.30 0.09 0.00 0.00 178.44 180.71 3kdv n ILE 61 N -2.38 0.90 -1.06 1.22 -5.35 -1.14 -4.96 119.36 106.59 3kdv n ILE 61 Ca -0.01 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 3kdv n ILE 61 Cb 0.10 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 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 -0.62 0.74 3.56 3.28 0.00 -1.02 -4.83 105.19 106.29 3kdv n GLY 62 Ca 0.06 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 2.93 0.02 4.61 0.00 0.93 -4.59 121.76 123.66 3kdv s ALA 63 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.32 3kdv s ALA 63 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3kdv s ALA 63 CO 0.00 0.34 -0.08 1.03 0.00 0.00 0.00 175.76 177.05 3kdv s ARG 64 N -3.32 0.55 0.51 0.00 3.00 -0.90 -3.38 118.95 115.41 3kdv s ARG 64 Ca 0.28 -0.53 -0.19 0.00 0.00 0.00 0.00 55.73 55.30 3kdv s ARG 64 Cb -0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 34.95 34.36 3kdv s ARG 64 CO 0.16 0.10 1.02 0.15 0.00 0.00 0.00 175.30 176.74 3kdv s LYS 65 N -0.92 3.78 0.28 3.54 -0.14 -1.26 -1.15 119.74 123.86 3kdv s LYS 65 Ca -0.03 1.23 -0.16 0.00 -1.36 0.00 0.00 55.97 55.65 3kdv s LYS 65 Cb -0.06 -2.10 0.01 0.00 -1.68 0.00 0.00 37.83 34.00 3kdv s LYS 65 CO 0.00 -0.43 0.60 -0.46 -0.76 0.00 0.00 175.35 174.30 3kdv s TRP 66 N -2.21 0.16 -0.01 3.18 -0.00 -1.26 -4.92 118.94 113.88 3kdv s TRP 66 Ca 0.64 -0.58 0.05 0.00 -0.00 0.00 0.00 56.10 56.22 3kdv s TRP 66 Cb -0.14 0.43 -0.01 0.00 -0.00 0.00 0.00 33.47 33.75 3kdv s TRP 66 CO 0.24 -1.14 -0.17 0.99 -0.00 0.00 0.00 176.95 176.87 3kdv s THR 67 N -3.80 1.35 0.83 5.86 2.01 -1.26 -4.36 115.64 116.27 3kdv s THR 67 Ca 0.18 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3kdv s THR 67 Cb -0.03 -1.13 0.09 0.00 0.01 0.00 0.00 72.50 71.44 3kdv s THR 67 CO 0.09 0.38 1.09 0.54 -0.69 0.00 0.00 174.62 176.03 3kdv s ASN 68 N -0.40 4.10 -1.37 3.53 4.22 1.25 -4.78 114.94 121.49 3kdv s ASN 68 Ca 0.07 1.59 -0.10 0.00 -2.14 0.00 0.00 52.86 52.27 3kdv s ASN 68 Cb -0.07 -2.30 -0.06 0.00 1.28 0.00 0.00 41.25 40.10 3kdv s ASN 68 CO -0.01 -2.26 2.57 -0.81 -2.04 0.00 0.00 177.10 174.55 3kdv n PRO 69 N -3.65 3.02 -3.42 3.55 -0.04 -1.26 -4.32 135.00 128.88 3kdv n PRO 69 Ca 0.08 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 3kdv n PRO 69 Cb 0.54 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3kdv n PRO 69 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kdv n GLU 70 N 4.35 -1.33 0.06 0.54 4.07 -1.26 -4.99 120.64 122.08 3kdv n GLU 70 Ca 0.64 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.85 3kdv n GLU 70 Cb 0.24 0.00 0.44 0.00 -0.06 0.00 0.00 31.44 32.06 3kdv n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kdv n GLY 71 N 0.00 -1.30 3.77 8.31 0.00 -1.26 -4.88 105.19 109.82 3kdv n GLY 71 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.13 3.71 0.20 1.61 2.12 -1.26 -4.72 118.70 117.24 3kdv s GLU 72 Ca 0.08 2.35 0.07 0.00 0.36 0.00 0.00 54.97 57.83 3kdv s GLU 72 Cb 0.11 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 3kdv s GLU 72 CO 0.41 -0.77 0.05 -1.21 -0.54 0.00 0.00 175.26 173.20 3kdv s GLU 73 N -2.43 2.53 -0.29 4.30 2.02 -1.26 0.39 118.70 123.96 3kdv s GLU 73 Ca 0.61 -1.13 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 3kdv s GLU 73 Cb -0.42 -2.39 0.10 0.00 0.10 0.00 0.00 34.13 31.52 3kdv s GLU 73 CO 0.54 0.43 0.71 0.42 0.02 0.00 0.00 175.26 177.38 3kdv s ILE 75 N -1.91 -0.23 -0.16 -1.63 1.01 -0.34 -4.55 121.20 113.39 3kdv s ILE 75 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.90 3kdv s ILE 75 Cb -0.09 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 3kdv s ILE 75 CO 0.20 0.00 -0.02 -0.76 0.00 0.00 0.00 174.94 174.37 3kdv s LEU 76 N 1.91 3.38 -0.09 2.97 1.43 -0.30 -0.90 118.68 127.07 3kdv s LEU 76 Ca -0.09 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3kdv s LEU 76 Cb -0.06 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.38 3kdv s LEU 76 CO -0.19 0.18 0.20 -2.28 0.23 0.00 0.00 176.35 174.49 3kdv s HIS 77 N 0.30 -0.27 -1.50 0.29 2.46 -0.40 -2.13 115.29 114.05 3kdv s HIS 77 Ca -0.02 0.70 -0.12 0.00 0.47 0.00 0.00 55.06 56.08 3kdv s HIS 77 Cb -0.14 -0.06 0.08 0.00 -0.13 0.00 0.00 32.58 32.33 3kdv s HIS 77 CO 0.02 -0.24 0.89 0.54 -2.47 0.00 0.00 174.74 173.48 3kdv n ARG 78 N 4.59 -5.22 -2.46 2.88 5.12 -1.26 -1.49 116.66 118.82 3kdv n ARG 78 Ca -0.19 0.61 -0.09 0.00 -1.93 0.00 0.00 57.85 56.25 3kdv n ARG 78 Cb 0.51 -5.48 0.01 0.00 -1.16 0.00 0.00 32.46 26.34 3kdv n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kdv n GLY 79 N -1.61 0.11 3.07 -0.13 0.00 -1.26 -5.04 105.19 100.33 3kdv n GLY 79 Ca 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.70 0.50 0.03 1.61 3.76 -0.56 -5.17 115.29 112.77 3kdv s HIS 80 Ca 0.09 -0.87 0.09 0.00 -0.15 0.00 0.00 55.06 54.22 3kdv s HIS 80 Cb -0.04 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 3kdv s HIS 80 CO 0.11 -0.28 -0.25 0.00 -0.85 0.00 0.00 174.74 173.47 3kdv s ALA 81 N -3.06 2.14 0.10 -1.40 0.00 -1.26 -1.27 121.76 117.01 3kdv s ALA 81 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3kdv s ALA 81 Cb 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3kdv s ALA 81 CO -0.06 0.51 -0.10 0.71 0.00 0.00 0.00 175.76 176.82 3kdv s TYR 82 N -0.76 1.05 0.05 0.00 2.02 -0.08 -4.66 117.35 114.98 3kdv s TYR 82 Ca 0.11 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 3kdv s TYR 82 Cb -0.10 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 3kdv s TYR 82 CO 0.01 -0.00 -0.18 1.03 -1.57 0.00 0.00 175.55 174.84 3kdv s ARG 83 N -2.77 1.16 0.22 -0.62 3.00 -1.26 -1.20 118.95 117.47 3kdv s ARG 83 Ca 0.05 -0.91 -0.30 0.00 0.00 0.00 0.00 55.73 54.57 3kdv s ARG 83 Cb -0.03 -1.25 -0.09 0.00 0.00 0.00 0.00 34.95 33.58 3kdv s ARG 83 CO -0.00 0.31 1.22 0.50 0.00 0.00 0.00 175.30 177.33 3kdv s ARG 84 N -1.30 4.47 -0.08 3.54 3.52 -1.26 -4.42 118.95 123.42 3kdv s ARG 84 Ca 0.05 1.95 -0.03 0.00 -0.13 0.00 0.00 55.73 57.56 3kdv s ARG 84 Cb -0.09 -3.20 0.04 0.00 -1.56 0.00 0.00 34.95 30.14 3kdv s ARG 84 CO 0.02 -0.10 0.10 1.03 -0.81 0.00 0.00 175.30 175.54 3kdv s ARG 85 N -0.54 -0.01 0.72 5.12 3.00 -0.99 -5.04 118.95 121.21 3kdv s ARG 85 Ca 0.52 0.33 -0.11 0.00 0.00 0.00 0.00 55.73 56.47 3kdv s ARG 85 Cb -0.34 -0.74 0.02 0.00 0.00 0.00 0.00 34.95 33.89 3kdv s ARG 85 CO 0.39 -0.41 1.07 -1.21 0.00 0.00 0.00 175.30 175.15 3kdv s GLU 86 N 2.20 2.73 0.00 3.54 2.02 -1.26 -2.52 118.70 125.41 3kdv s GLU 86 Ca 0.04 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.01 3kdv s GLU 86 Cb -0.13 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.14 3kdv s GLU 86 CO -0.05 -1.25 0.00 1.47 0.02 0.00 0.00 175.26 175.45 3kdv n LEU 87 N -3.23 0.00 -4.41 1.80 -0.00 -1.26 -4.91 117.00 104.98 3kdv n LEU 87 Ca 0.08 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.64 3kdv n LEU 87 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.95 3kdv n LEU 87 CO 0.55 0.00 1.13 -0.69 -0.00 0.00 0.00 177.39 178.39 3kdv s VAL 90 N 0.00 5.41 0.01 1.47 1.01 -1.26 -5.14 120.40 121.90 3kdv s VAL 90 Ca 0.00 -2.91 -0.00 0.00 0.00 0.00 0.00 61.98 59.07 3kdv s VAL 90 Cb 0.00 -4.78 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 3kdv s VAL 90 CO 0.00 -1.44 -0.00 1.51 0.00 0.00 0.00 175.10 175.16 3kdv s ASP 91 N 2.26 0.10 -0.20 3.32 3.84 -1.26 -4.71 116.67 120.02 3kdv s ASP 91 Ca 0.37 -0.22 -0.08 0.00 -0.00 0.00 0.00 52.55 52.63 3kdv s ASP 91 Cb -0.06 0.06 -0.04 0.00 -1.38 0.00 0.00 42.92 41.50 3kdv s ASP 91 CO -0.03 -0.15 0.08 -0.44 -0.00 0.00 0.00 175.17 174.63 3kdv s SER 92 N -0.68 5.70 -0.03 2.11 0.01 -1.04 -4.64 113.70 115.12 3kdv s SER 92 Ca -0.08 0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.31 3kdv s SER 92 Cb -0.05 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 3kdv s SER 92 CO -0.00 0.13 -0.21 -0.13 0.41 0.00 0.00 173.24 173.44 3kdv s ARG 93 N 0.62 1.90 -0.18 12.44 1.81 -1.05 -0.36 118.95 134.14 3kdv s ARG 93 Ca 0.04 -0.75 -0.02 0.00 -1.72 0.00 0.00 55.73 53.28 3kdv s ARG 93 Cb -0.13 -1.74 -0.01 0.00 -0.45 0.00 0.00 34.95 32.62 3kdv s ARG 93 CO 0.01 0.39 -0.07 0.15 -0.68 0.00 0.00 175.30 175.10 3kdv s LYS 94 N -0.30 3.43 -0.02 3.54 1.02 -0.42 -2.35 119.74 124.64 3kdv s LYS 94 Ca 0.03 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 3kdv s LYS 94 Cb -0.10 -2.85 0.12 0.00 -0.52 0.00 0.00 37.83 34.48 3kdv s LYS 94 CO 0.01 0.03 1.30 -1.59 -0.92 0.00 0.00 175.35 174.18 3kdv s LYS 96 N 0.86 0.37 -0.13 1.68 -2.85 0.09 -2.14 119.74 117.63 3kdv s LYS 96 Ca -0.02 -0.21 -0.06 0.00 -1.00 0.00 0.00 55.97 54.68 3kdv s LYS 96 Cb -0.15 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.71 3kdv s LYS 96 CO 0.01 -0.17 0.10 -0.48 0.10 0.00 0.00 175.35 174.91 3kdv s LEU 97 N -3.02 4.14 0.19 2.77 2.34 -1.26 -2.78 118.68 121.06 3kdv s LEU 97 Ca 0.15 0.33 -0.30 0.00 0.06 0.00 0.00 54.13 54.37 3kdv s LEU 97 Cb 0.05 -2.01 -0.08 0.00 -0.56 0.00 0.00 46.19 43.59 3kdv s LEU 97 CO -0.04 0.35 1.19 -2.84 -1.06 0.00 0.00 176.35 173.95 3kdv s PRO 98 N -0.66 4.50 0.00 1.48 0.02 -1.26 -4.87 135.00 134.21 3kdv s PRO 98 Ca 0.12 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3kdv s PRO 98 Cb -0.12 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3kdv s PRO 98 CO 0.02 -0.07 0.00 0.00 -0.33 0.00 0.00 177.00 176.62 3kdv n ALA 99 N 2.40 0.00 -1.39 -1.55 0.00 -1.26 -4.99 120.51 113.72 3kdv n ALA 99 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 3kdv n ALA 99 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 3kdv n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdv n ALA 100 N -3.00 7.28 -3.25 0.00 0.00 -1.26 -4.55 120.51 115.74 3kdv n ALA 100 Ca 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 53.44 50.00 3kdv n ALA 100 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 19.45 16.30 3kdv n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kdv s VAL 101 N 1.37 -0.77 0.25 0.00 0.11 -1.26 -5.16 120.40 114.93 3kdv s VAL 101 Ca 0.67 -0.25 -0.21 0.00 -2.93 0.00 0.00 61.98 59.25 3kdv s VAL 101 Cb 0.20 -0.70 0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3kdv s VAL 101 CO -0.06 -0.19 0.86 -0.54 -3.33 0.00 0.00 175.10 171.84 3kdv s LYS 102 N 2.27 1.62 0.36 1.54 3.01 -1.26 -5.08 119.74 122.19 3kdv s LYS 102 Ca 0.12 -0.95 -0.11 0.00 -1.01 0.00 0.00 55.97 54.02 3kdv s LYS 102 Cb -0.10 0.51 0.03 0.00 -1.01 0.00 0.00 37.83 37.26 3kdv s LYS 102 CO -0.19 -0.75 0.66 0.71 0.51 0.00 0.00 175.35 176.29 3kdv s TYR 103 N -3.15 0.44 -0.07 3.18 2.02 -1.26 -5.21 117.35 113.30 3kdv s TYR 103 Ca 0.14 -0.93 -0.29 0.00 -0.37 0.00 0.00 57.07 55.62 3kdv s TYR 103 Cb -0.04 0.48 0.10 0.00 -0.40 0.00 0.00 41.96 42.10 3kdv s TYR 103 CO 0.06 -1.37 0.88 0.15 -1.57 0.00 0.00 175.55 173.70 3kdv s LYS 108 N -2.77 0.80 0.04 -0.62 3.01 -1.12 -5.02 119.74 114.06 3kdv s LYS 108 Ca 0.21 -0.02 0.02 0.00 -1.01 0.00 0.00 55.97 55.16 3kdv s LYS 108 Cb -0.03 0.37 -0.02 0.00 -1.01 0.00 0.00 37.83 37.14 3kdv s LYS 108 CO 0.14 -0.29 -0.07 0.54 0.51 0.00 0.00 175.35 176.18 3kdv s ASN 109 N -1.70 0.76 -0.23 2.83 2.20 -1.26 -0.73 114.94 116.81 3kdv s ASN 109 Ca -0.01 -0.54 -0.18 0.00 -0.94 0.00 0.00 52.86 51.19 3kdv s ASN 109 Cb -0.01 0.05 -0.16 0.00 -2.00 0.00 0.00 41.25 39.13 3kdv s ASN 109 CO -0.01 -0.22 -0.02 1.07 -2.94 0.00 0.00 177.10 174.97 3kdv n THR 110 N 1.49 1.53 -3.72 0.54 5.66 -0.91 -3.69 114.28 115.18 3kdv n THR 110 Ca -0.23 -0.16 -0.14 0.00 -3.05 0.00 0.00 64.05 60.47 3kdv n THR 110 Cb 0.55 -1.99 -0.08 0.00 -1.55 0.00 0.00 70.33 67.25 3kdv n THR 110 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3kdv s ASP 111 N -7.07 -0.29 -0.04 1.09 1.01 -1.25 -0.41 116.67 109.71 3kdv s ASP 111 Ca -0.32 0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.20 3kdv s ASP 111 Cb 0.09 0.38 0.00 0.00 1.01 0.00 0.00 42.92 44.41 3kdv s ASP 111 CO 0.54 -0.46 -0.12 -2.84 0.21 0.00 0.00 175.17 172.50 3kdv s PRO 112 N -1.22 1.41 -0.18 8.23 0.02 -1.16 -1.30 135.00 140.80 3kdv s PRO 112 Ca -0.12 -0.42 -0.00 0.00 0.02 0.00 0.00 61.00 60.47 3kdv s PRO 112 Cb -0.04 -1.24 0.01 0.00 0.02 0.00 0.00 34.50 33.25 3kdv s PRO 112 CO 0.05 0.13 -0.15 -1.21 -0.33 0.00 0.00 177.00 175.48 3kdv s GLU 113 N 0.28 3.12 -0.07 5.54 2.02 0.52 -2.82 118.70 127.29 3kdv s GLU 113 Ca -0.06 -0.77 -0.24 0.00 0.02 0.00 0.00 54.97 53.92 3kdv s GLU 113 Cb -0.12 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.49 3kdv s GLU 113 CO 0.02 -0.16 0.55 -1.01 0.02 0.00 0.00 175.26 174.68 3kdv s HIS 114 N 1.24 -0.52 0.10 1.61 3.76 -0.86 -2.49 115.29 118.13 3kdv s HIS 114 Ca 0.03 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 3kdv s HIS 114 Cb -0.14 0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.83 3kdv s HIS 114 CO -0.08 -0.49 0.00 1.55 -0.85 0.00 0.00 174.74 174.87 3kdv n VAL 115 N 1.38 0.00 -0.12 -0.90 3.14 -1.26 -3.38 118.33 117.20 3kdv n VAL 115 Ca -0.19 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.21 3kdv n VAL 115 Cb 0.56 -0.14 -0.01 0.00 -1.06 0.00 0.00 33.84 33.20 3kdv n VAL 115 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3kdv n ARG 116 N -2.19 -0.26 -1.78 1.45 -4.01 -1.26 -0.84 116.66 107.76 3kdv n ARG 116 Ca 0.00 0.20 -0.31 0.00 -1.04 0.00 0.00 57.85 56.71 3kdv n ARG 116 Cb 0.19 -0.31 0.03 0.00 -3.04 0.00 0.00 32.46 29.34 3kdv n ARG 116 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 3kdv s GLU 117 N -2.43 3.18 -1.33 2.89 -1.05 -1.26 -4.67 118.70 114.03 3kdv s GLU 117 Ca 0.00 0.72 -0.16 0.00 -0.15 0.00 0.00 54.97 55.39 3kdv s GLU 117 Cb 0.00 -2.04 0.08 0.00 -0.44 0.00 0.00 34.13 31.74 3kdv s GLU 117 CO 0.00 -0.87 1.85 1.17 0.95 0.00 0.00 175.26 178.36 3kdv n LYS 118 N -2.94 3.15 -1.67 -4.83 4.81 -1.26 -4.67 118.16 110.74 3kdv n LYS 118 Ca 0.07 -3.18 -0.46 0.00 -0.87 0.00 0.00 58.31 53.86 3kdv n LYS 118 Cb 0.55 -3.35 -0.04 0.00 0.02 0.00 0.00 35.03 32.20 3kdv n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kdv n ALA 119 N 7.16 1.27 -0.25 3.14 0.00 -1.26 -4.60 120.51 125.97 3kdv n ALA 119 Ca 0.48 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.30 3kdv n ALA 119 Cb 0.43 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3kdv n ALA 119 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kdv n ASP 120 N 4.65 0.00 -0.37 0.00 9.92 -1.26 -4.44 116.55 125.05 3kdv n ASP 120 Ca 0.19 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.57 3kdv n ASP 120 Cb 0.30 -0.74 0.55 0.00 -0.64 0.00 0.00 41.12 40.58 3kdv n ASP 120 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kdv n GLY 121 N -1.20 -0.19 0.31 0.44 0.00 -1.26 -3.51 105.19 99.78 3kdv n GLY 121 Ca 0.00 -0.36 0.17 0.00 0.00 0.00 0.00 46.02 45.83 3kdv n GLY 121 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kdv h GLU 122 N 1.64 0.00 -0.01 1.61 4.11 -1.94 1.49 114.58 121.48 3kdv h GLU 122 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kdv h GLU 122 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3kdv h GLU 122 CO 0.00 0.00 -0.34 1.19 0.07 0.00 0.00 179.01 179.93 3kdv n PHE 123 N -3.70 0.00 -1.83 2.06 3.72 -1.23 -4.95 117.46 111.53 3kdv n PHE 123 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 3kdv n PHE 123 Cb 0.14 -0.08 0.14 0.00 -0.94 0.00 0.00 39.48 38.74 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 -2.50 1.19 0.00 -1.08 8.01 0.51 -2.55 118.70 122.28 3kdv s GLU 124 Ca 0.22 -0.08 0.00 0.00 0.01 0.00 0.00 54.97 55.12 3kdv s GLU 124 Cb 0.19 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 28.13 3kdv s GLU 124 CO 0.54 -2.09 0.46 0.66 0.01 0.00 0.00 175.26 174.84 3kdv n TYR 125 N -3.62 0.00 -3.51 1.61 4.01 -1.26 -4.25 117.16 110.14 3kdv n TYR 125 Ca 0.11 -0.10 -0.25 0.00 -0.16 0.00 0.00 57.90 57.50 3kdv n TYR 125 Cb 0.60 -0.11 0.05 0.00 -0.31 0.00 0.00 39.34 39.57 3kdv n TYR 125 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3kdv n VAL 126 N 0.27 -2.34 0.87 -0.72 0.24 -1.26 -5.02 118.33 110.36 3kdv n VAL 126 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 3kdv n VAL 126 Cb 0.23 -3.41 0.41 0.00 -1.47 0.00 0.00 33.84 29.60 3kdv n VAL 126 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10