#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvv s ALA 2 N 0.00 3.71 0.06 3.04 0.00 -1.26 -5.04 121.76 122.27 2kvv s ALA 2 Ca 0.00 -2.68 0.06 0.00 0.00 0.00 0.00 51.96 49.35 2kvv s ALA 2 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2kvv s ALA 2 CO 0.00 -2.14 -0.17 -1.14 0.00 0.00 0.00 175.76 172.31 2kvv s GLN 3 N 1.44 1.07 -1.00 0.00 0.74 -1.26 -5.07 119.66 115.59 2kvv s GLN 3 Ca 0.08 -0.94 -0.24 0.00 0.05 0.00 0.00 55.36 54.31 2kvv s GLN 3 Cb -0.24 -1.17 -0.06 0.00 1.10 0.00 0.00 33.01 32.63 2kvv s GLN 3 CO 0.01 0.28 1.95 0.42 -0.55 0.00 0.00 175.29 177.40 2kvv s ILE 4 N -0.99 3.47 -0.19 -2.34 -1.09 -1.26 -4.94 121.20 113.86 2kvv s ILE 4 Ca 0.04 -0.55 -0.13 0.00 -2.23 0.00 0.00 60.65 57.78 2kvv s ILE 4 Cb -0.09 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 2kvv s ILE 4 CO 0.02 -0.94 0.24 -0.63 -1.23 0.00 0.00 174.94 172.41 2kvv s ILE 5 N 10.56 5.33 -0.06 2.92 -1.09 -1.26 -5.02 121.20 132.59 2kvv s ILE 5 Ca 0.70 0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 59.50 2kvv s ILE 5 Cb -0.05 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2kvv s ILE 5 CO 0.04 0.38 -0.06 -0.26 -1.23 0.00 0.00 174.94 173.81 2kvv h PHE 6 N 6.89 0.00 -1.31 3.97 0.04 -2.09 -3.50 116.94 120.94 2kvv h PHE 6 Ca -0.40 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.51 2kvv h PHE 6 Cb 1.16 0.00 -0.29 0.00 2.20 0.00 0.00 35.95 39.02 2kvv h PHE 6 CO 0.61 0.00 0.70 0.54 -0.60 0.00 0.00 178.31 179.57 2kvv s ASN 7 N -4.37 -0.23 -0.29 2.17 2.20 -1.26 -5.14 114.94 108.02 2kvv s ASN 7 Ca -0.05 0.40 -0.04 0.00 -0.94 0.00 0.00 52.86 52.23 2kvv s ASN 7 Cb 0.01 0.39 0.10 0.00 -2.00 0.00 0.00 41.25 39.75 2kvv s ASN 7 CO 0.08 -0.10 0.13 -1.83 -2.94 0.00 0.00 177.10 172.44 2kvv s GLU 8 N -0.14 0.19 -0.84 3.55 -1.05 -1.26 -4.92 118.70 114.24 2kvv s GLU 8 Ca 0.05 -0.53 -0.14 0.00 -0.15 0.00 0.00 54.97 54.20 2kvv s GLU 8 Cb -0.04 -1.16 0.22 0.00 -0.44 0.00 0.00 34.13 32.71 2kvv s GLU 8 CO -0.10 -1.02 0.80 -1.21 0.95 0.00 0.00 175.26 174.68 2kvv s GLU 9 N 2.09 3.62 -0.23 -4.83 0.41 -1.26 -5.02 118.70 113.49 2kvv s GLU 9 Ca 0.09 -2.44 -0.28 0.00 -0.41 0.00 0.00 54.97 51.92 2kvv s GLU 9 Cb -0.16 -4.46 0.01 0.00 -1.78 0.00 0.00 34.13 27.73 2kvv s GLU 9 CO -0.37 -1.32 1.01 -1.58 -0.49 0.00 0.00 175.26 172.51 2kvv s TRP 10 N 0.28 3.34 0.03 1.61 0.52 -1.26 -1.54 118.94 121.92 2kvv s TRP 10 Ca 0.19 1.43 -0.03 0.00 0.02 0.00 0.00 56.10 57.72 2kvv s TRP 10 Cb -0.10 -3.24 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 2kvv s TRP 10 CO -0.09 -0.46 0.02 0.00 0.02 0.00 0.00 176.95 176.44 2kvv s MET 11 N 3.11 0.47 0.84 4.98 0.23 -0.20 -4.90 119.30 123.83 2kvv s MET 11 Ca 0.43 -0.75 -0.12 0.00 -1.03 0.00 0.00 55.69 54.22 2kvv s MET 11 Cb -0.15 0.17 0.10 0.00 -1.53 0.00 0.00 34.83 33.42 2kvv s MET 11 CO 0.07 -0.10 1.11 0.14 -2.03 0.00 0.00 175.02 174.21 2kvv s VAL 12 N -2.26 2.70 0.23 5.16 -7.23 -1.26 -0.78 120.40 116.95 2kvv s VAL 12 Ca -0.08 0.23 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 2kvv s VAL 12 Cb -0.04 -2.95 0.20 0.00 0.56 0.00 0.00 36.38 34.15 2kvv s VAL 12 CO -0.03 -0.30 1.72 -0.08 -0.31 0.00 0.00 175.10 176.10 2kvv h GLU 13 N -1.26 0.36 -0.01 4.82 4.81 -1.98 0.14 114.58 121.46 2kvv h GLU 13 Ca -0.48 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2kvv h GLU 13 Cb 1.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2kvv h GLU 13 CO 0.60 0.24 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.84 2kvv h LYS 14 N 0.37 -0.09 -0.45 1.92 3.11 -1.99 -1.36 116.57 118.08 2kvv h LYS 14 Ca 0.37 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 58.11 2kvv h LYS 14 Cb 0.56 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2kvv h LYS 14 CO -0.40 -0.06 -0.15 0.00 -2.81 0.00 0.00 179.45 176.03 2kvv h ALA 15 N 0.91 0.89 -0.14 5.00 0.00 -1.77 -3.21 119.26 120.94 2kvv h ALA 15 Ca 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kvv h ALA 15 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kvv h ALA 15 CO -0.06 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.16 2kvv h LEU 16 N 0.75 0.17 -1.77 0.00 7.12 -0.41 -1.24 115.31 119.93 2kvv h LEU 16 Ca 0.12 -0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.11 2kvv h LEU 16 Cb 0.66 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 2kvv h LEU 16 CO 0.05 0.15 0.19 0.00 -0.13 0.00 0.00 178.44 178.70 2kvv h MET 17 N 0.16 0.31 -0.11 1.25 -0.00 -1.28 0.54 114.93 115.80 2kvv h MET 17 Ca 0.05 -0.02 -0.21 0.00 -0.00 0.00 0.00 59.70 59.52 2kvv h MET 17 Cb 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.55 2kvv h MET 17 CO -0.01 0.20 -0.78 0.28 -0.00 0.00 0.00 176.91 176.61 2kvv h VAL 18 N 0.31 1.33 0.00 -0.10 2.07 -1.44 0.22 116.25 118.64 2kvv h VAL 18 Ca 0.11 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.43 2kvv h VAL 18 Cb 0.06 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2kvv h VAL 18 CO -0.02 0.64 -0.57 0.03 0.02 0.00 0.00 177.57 177.67 2kvv h ARG 19 N 0.40 0.00 0.00 1.57 2.47 -0.31 -3.32 114.38 115.20 2kvv h ARG 19 Ca -0.05 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.31 2kvv h ARG 19 Cb 1.38 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.64 2kvv h ARG 19 CO 0.15 0.57 -2.29 0.25 0.56 0.00 0.00 179.97 179.20 2kvv n THR 20 N -3.42 1.43 -0.31 2.04 -2.24 0.09 -5.01 114.28 106.86 2kvv n THR 20 Ca 0.00 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2kvv n THR 20 Cb 0.68 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2kvv n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kvv n GLY 21 N 1.76 0.78 3.90 3.38 0.00 0.73 -5.08 105.19 110.67 2kvv n GLY 21 Ca -0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2kvv n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kvv s LEU 22 N 0.00 3.52 0.18 0.99 1.02 -1.02 -5.01 118.68 118.37 2kvv s LEU 22 Ca 0.00 0.99 0.03 0.00 0.02 0.00 0.00 54.13 55.18 2kvv s LEU 22 Cb 0.00 -3.95 -0.03 0.00 0.02 0.00 0.00 46.19 42.23 2kvv s LEU 22 CO 0.00 -0.68 0.31 -0.83 0.02 0.00 0.00 176.35 175.17 2kvv s GLY 23 N -4.14 1.53 0.24 -3.19 0.00 -1.26 -4.63 107.32 95.87 2kvv s GLY 23 Ca 0.49 -1.11 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 2kvv s GLY 23 CO 0.46 -1.11 1.71 0.00 0.00 0.00 0.00 173.10 174.17 2kvv h ALA 24 N 1.80 0.99 0.00 3.20 0.00 -1.97 0.11 119.26 123.38 2kvv h ALA 24 Ca -0.50 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2kvv h ALA 24 Cb 1.21 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kvv h ALA 24 CO 0.66 -0.26 -0.04 0.07 0.00 0.00 0.00 179.25 179.67 2kvv h ARG 25 N 0.37 0.00 0.09 0.00 -0.00 -1.99 -1.14 114.38 111.71 2kvv h ARG 25 Ca 0.40 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.17 2kvv h ARG 25 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.61 2kvv h ARG 25 CO -0.43 0.04 -1.09 0.37 -0.00 0.00 0.00 179.97 178.86 2kvv h GLN 26 N 0.00 0.20 -0.06 0.08 4.15 -1.23 -3.26 115.11 114.99 2kvv h GLN 26 Ca -0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 2kvv h GLN 26 Cb 0.28 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2kvv h GLN 26 CO 0.01 1.16 0.03 0.82 -1.93 0.00 0.00 178.83 178.92 2kvv h ILE 27 N -0.49 1.06 -0.26 2.39 2.04 -0.94 -2.56 117.51 118.76 2kvv h ILE 27 Ca -0.24 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2kvv h ILE 27 Cb 1.59 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2kvv h ILE 27 CO 0.04 0.05 0.18 1.05 0.00 0.00 0.00 178.15 179.47 2kvv h GLU 28 N 0.03 0.00 -0.16 2.37 4.11 -1.39 0.32 114.58 119.85 2kvv h GLU 28 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2kvv h GLU 28 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kvv h GLU 28 CO -0.00 0.00 0.08 1.03 0.07 0.00 0.00 179.01 180.19 2kvv h SER 29 N 0.00 0.21 0.48 3.06 0.87 -1.50 -3.07 113.55 113.61 2kvv h SER 29 Ca 0.12 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 2kvv h SER 29 Cb 0.49 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2kvv h SER 29 CO -0.00 0.27 -0.57 1.88 -0.53 0.00 0.00 176.83 177.88 2kvv h TYR 30 N 0.14 0.11 0.00 2.24 0.05 -0.94 -2.98 116.97 115.60 2kvv h TYR 30 Ca 0.06 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2kvv h TYR 30 Cb 0.12 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2kvv h TYR 30 CO -0.03 0.64 0.00 0.00 -1.05 0.00 0.00 178.16 177.72 2kvv h ARG 31 N 0.07 0.00 0.00 4.88 3.08 -0.90 0.19 114.38 121.69 2kvv h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kvv h ARG 31 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2kvv h ARG 31 CO 0.08 0.00 -0.07 1.04 -1.07 0.00 0.00 179.97 179.95 2kvv n GLN 32 N -2.97 0.27 0.00 0.04 1.13 -1.12 -4.59 117.38 110.13 2kvv n GLN 32 Ca -0.02 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2kvv n GLN 32 Cb 0.08 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.64 2kvv n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kvv n GLY 33 N 1.31 -0.53 0.26 1.08 0.00 -0.76 -4.97 105.19 101.57 2kvv n GLY 33 Ca 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2kvv n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvv h ALA 34 N 0.00 1.00 -1.61 4.61 0.00 -1.00 -3.40 119.26 118.86 2kvv h ALA 34 Ca 0.00 -0.34 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 2kvv h ALA 34 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2kvv h ALA 34 CO 0.00 0.59 1.16 -1.58 0.00 0.00 0.00 179.25 179.42 2kvv s TRP 35 N -4.62 2.13 0.03 0.00 0.23 -0.32 -5.00 118.94 111.39 2kvv s TRP 35 Ca -0.08 0.54 -0.23 0.00 -2.03 0.00 0.00 56.10 54.30 2kvv s TRP 35 Cb 0.14 -4.31 -0.06 0.00 0.03 0.00 0.00 33.47 29.27 2kvv s TRP 35 CO 0.81 -2.15 0.68 0.42 0.96 0.00 0.00 176.95 177.67 2kvv s ILE 36 N 6.64 4.79 0.36 2.03 1.01 -1.26 -4.89 121.20 129.88 2kvv s ILE 36 Ca 0.58 1.45 -0.28 0.00 0.00 0.00 0.00 60.65 62.40 2kvv s ILE 36 Cb -0.13 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 2kvv s ILE 36 CO 0.25 0.40 1.49 -1.61 0.00 0.00 0.00 174.94 175.48 2kvv s GLU 37 N -0.21 4.13 0.00 2.79 2.02 -1.26 -1.69 118.70 124.48 2kvv s GLU 37 Ca 0.35 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.88 2kvv s GLU 37 Cb -0.20 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2kvv s GLU 37 CO 0.20 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2kvv n GLY 38 N 0.77 1.19 0.23 -1.39 0.00 0.27 -4.64 105.19 101.62 2kvv n GLY 38 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2kvv n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kvv h VAL 39 N 0.00 0.00 0.00 1.61 2.07 -1.97 -3.39 116.25 114.57 2kvv h VAL 39 Ca 0.00 -0.62 -0.23 0.00 0.82 0.00 0.00 66.70 66.68 2kvv h VAL 39 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2kvv h VAL 39 CO 0.00 0.00 -1.66 1.41 0.02 0.00 0.00 177.57 177.34 2kvv n HIS 40 N -5.09 0.81 -3.68 1.57 8.25 -0.68 -4.92 115.22 111.49 2kvv n HIS 40 Ca -0.06 0.28 -0.12 0.00 -0.26 0.00 0.00 57.72 57.56 2kvv n HIS 40 Cb 0.20 -1.08 -0.06 0.00 1.12 0.00 0.00 29.99 30.17 2kvv n HIS 40 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2kvv s PHE 41 N -2.79 -0.22 0.16 4.41 -0.71 -1.22 -1.77 117.98 115.83 2kvv s PHE 41 Ca -0.05 0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.89 2kvv s PHE 41 Cb 0.08 0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 2kvv s PHE 41 CO 0.82 -0.59 0.18 -1.59 -1.34 0.00 0.00 175.22 172.71 2kvv s LYS 42 N -2.78 1.08 -0.19 1.99 -2.85 -1.21 0.98 119.74 116.75 2kvv s LYS 42 Ca -0.03 -1.32 -0.27 0.00 -1.00 0.00 0.00 55.97 53.35 2kvv s LYS 42 Cb -0.00 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 36.08 2kvv s LYS 42 CO -0.05 -0.36 0.92 1.03 0.10 0.00 0.00 175.35 176.99 2kvv s ARG 43 N -4.02 4.29 -0.21 1.78 0.52 -1.26 -3.62 118.95 116.42 2kvv s ARG 43 Ca 0.22 1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 56.57 2kvv s ARG 43 Cb 0.05 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.93 2kvv s ARG 43 CO 0.02 -0.45 -0.10 0.08 0.02 0.00 0.00 175.30 174.87 2kvv s VAL 44 N 2.55 2.85 0.07 3.52 1.01 0.51 -4.95 120.40 125.95 2kvv s VAL 44 Ca 0.41 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2kvv s VAL 44 Cb -0.16 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 2kvv s VAL 44 CO 0.11 0.43 0.54 -0.94 0.00 0.00 0.00 175.10 175.24 2kvv s SER 45 N 1.39 6.99 0.00 3.32 1.04 -1.26 -0.72 113.70 124.46 2kvv s SER 45 Ca 0.05 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2kvv s SER 45 Cb -0.14 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2kvv s SER 45 CO -0.07 0.25 0.59 -0.81 0.98 0.00 0.00 173.24 174.18 2kvv n PRO 46 N 1.58 0.80 -3.73 4.02 -0.04 -1.26 -4.81 135.00 131.56 2kvv n PRO 46 Ca -0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 2kvv n PRO 46 Cb 0.51 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2kvv n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kvv s SER 47 N 0.36 -0.12 0.49 3.54 0.15 -1.26 -5.01 113.70 111.85 2kvv s SER 47 Ca 0.00 -0.35 0.32 0.00 0.70 0.00 0.00 55.95 56.62 2kvv s SER 47 Cb 0.00 0.39 1.31 0.00 -1.71 0.00 0.00 66.02 66.01 2kvv s SER 47 CO 0.00 -0.72 1.94 1.23 1.20 0.00 0.00 173.24 176.88 2kvv h GLY 48 N 2.00 0.00 -1.56 9.45 0.00 -2.05 -3.44 103.07 107.47 2kvv h GLY 48 Ca -0.26 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.57 2kvv h GLY 48 CO 0.27 0.00 0.31 -0.54 0.00 0.00 0.00 176.54 176.58 2kvv s GLU 49 N -3.61 3.48 -1.01 4.80 0.41 -1.26 -5.02 118.70 116.49 2kvv s GLU 49 Ca 0.02 0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 55.05 2kvv s GLU 49 Cb 0.09 -2.18 0.28 0.00 -1.78 0.00 0.00 34.13 30.54 2kvv s GLU 49 CO 0.51 -0.50 1.20 1.63 -0.49 0.00 0.00 175.26 177.61 2kvv n LYS 50 N -2.61 3.75 -1.95 1.61 4.01 -1.26 -4.81 118.16 116.90 2kvv n LYS 50 Ca 0.04 -4.54 -0.33 0.00 -0.51 0.00 0.00 58.31 52.98 2kvv n LYS 50 Cb 0.55 -2.48 0.02 0.00 -0.51 0.00 0.00 35.03 32.62 2kvv n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2kvv s THR 51 N -2.19 3.59 -1.03 -0.18 2.01 -1.26 -4.93 115.64 111.65 2kvv s THR 51 Ca 0.32 0.75 0.11 0.00 0.31 0.00 0.00 61.69 63.18 2kvv s THR 51 Cb 0.01 -3.28 0.10 0.00 0.01 0.00 0.00 72.50 69.34 2kvv s THR 51 CO 0.01 -0.45 1.36 0.18 -0.69 0.00 0.00 174.62 175.03 2kvv n LEU 52 N -2.15 0.00 -4.37 4.42 7.99 -1.26 -4.28 117.00 117.35 2kvv n LEU 52 Ca 0.09 0.48 -0.46 0.00 -0.01 0.00 0.00 56.01 56.12 2kvv n LEU 52 Cb 0.52 -0.48 -0.03 0.00 -0.11 0.00 0.00 43.42 43.32 2kvv n LEU 52 CO 0.47 -0.29 0.56 -0.13 -1.51 0.00 0.00 177.39 176.49 2kvv s ARG 53 N -2.97 3.46 -0.46 3.23 1.81 -1.26 -5.02 118.95 117.74 2kvv s ARG 53 Ca 0.06 -2.00 -0.18 0.00 -1.72 0.00 0.00 55.73 51.88 2kvv s ARG 53 Cb 0.07 -4.53 0.04 0.00 -0.45 0.00 0.00 34.95 30.09 2kvv s ARG 53 CO 0.21 -1.48 0.53 0.20 -0.68 0.00 0.00 175.30 174.08 2kvv s GLY 54 N 2.94 1.84 0.35 -3.53 0.00 -1.26 -4.66 107.32 103.00 2kvv s GLY 54 Ca 0.20 -1.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.01 2kvv s GLY 54 CO -0.06 1.32 1.33 -1.59 0.00 0.00 0.00 173.10 174.10 2kvv s THR 55 N 2.36 2.61 -0.34 0.90 2.01 0.10 -4.71 115.64 118.57 2kvv s THR 55 Ca 0.14 0.61 -0.04 0.00 0.31 0.00 0.00 61.69 62.70 2kvv s THR 55 Cb -0.18 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 69.00 2kvv s THR 55 CO 0.13 0.14 0.09 -0.89 -0.69 0.00 0.00 174.62 173.39 2kvv s THR 56 N -1.16 3.46 -0.14 -0.82 2.01 -1.26 -0.36 115.64 117.37 2kvv s THR 56 Ca 0.51 -1.35 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 2kvv s THR 56 Cb -0.40 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2kvv s THR 56 CO 0.54 -0.23 0.12 0.26 -0.69 0.00 0.00 174.62 174.62 2kvv s TRP 57 N 1.32 3.49 -0.10 4.92 0.52 -1.24 -4.58 118.94 123.27 2kvv s TRP 57 Ca -0.02 0.42 -0.03 0.00 0.02 0.00 0.00 56.10 56.50 2kvv s TRP 57 Cb -0.20 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2kvv s TRP 57 CO 0.01 0.56 -0.00 0.71 0.02 0.00 0.00 176.95 178.24 2kvv s TYR 58 N -0.56 3.14 -0.40 -1.98 2.02 0.03 -3.36 117.35 116.25 2kvv s TYR 58 Ca 0.12 0.10 -0.23 0.00 -0.37 0.00 0.00 57.07 56.69 2kvv s TYR 58 Cb -0.12 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2kvv s TYR 58 CO 0.02 0.35 0.76 1.21 -1.57 0.00 0.00 175.55 176.32 2kvv s ASN 59 N -0.57 6.47 0.14 2.29 2.47 -0.73 -1.03 114.94 123.99 2kvv s ASN 59 Ca 0.09 0.13 -0.24 0.00 0.42 0.00 0.00 52.86 53.26 2kvv s ASN 59 Cb -0.12 -2.38 0.01 0.00 -1.45 0.00 0.00 41.25 37.31 2kvv s ASN 59 CO 0.02 -0.78 1.62 0.22 -3.72 0.00 0.00 177.10 174.46 2kvv h TYR 60 N 8.67 -0.79 -0.97 0.43 3.20 -1.62 -2.00 116.97 123.89 2kvv h TYR 60 Ca -0.25 0.04 0.19 0.00 3.14 0.00 0.00 58.73 61.85 2kvv h TYR 60 Cb 1.09 0.38 -0.09 0.00 1.54 0.00 0.00 36.73 39.65 2kvv h TYR 60 CO 0.79 -0.37 0.61 -1.35 -1.64 0.00 0.00 178.16 176.20 2kvv h PRO 61 N -0.32 0.64 0.00 1.82 0.11 -1.91 0.04 132.00 132.38 2kvv h PRO 61 Ca 0.12 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2kvv h PRO 61 Cb 0.51 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 2kvv h PRO 61 CO -0.39 0.42 -0.15 0.93 -0.21 0.00 0.00 178.00 178.60 2kvv h GLU 62 N 0.66 0.00 0.13 1.05 4.39 -1.73 -1.84 114.58 117.23 2kvv h GLU 62 Ca 0.53 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.90 2kvv h GLU 62 Cb 0.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2kvv h GLU 62 CO -0.29 0.15 -1.72 0.82 -1.16 0.00 0.00 179.01 176.81 2kvv h ILE 63 N 0.00 0.94 -1.00 3.13 2.04 -0.91 -3.27 117.51 118.44 2kvv h ILE 63 Ca -0.00 -2.60 0.12 0.00 1.00 0.00 0.00 64.86 63.38 2kvv h ILE 63 Cb 0.38 2.67 -0.08 0.00 -0.74 0.00 0.00 36.82 39.05 2kvv h ILE 63 CO 0.02 0.82 0.63 0.78 0.00 0.00 0.00 178.15 180.40 2kvv h ASN 64 N 0.08 0.92 -0.76 1.72 4.21 -1.11 -0.30 115.58 120.33 2kvv h ASN 64 Ca -0.32 0.04 0.15 0.00 1.21 0.00 0.00 56.30 57.39 2kvv h ASN 64 Cb 2.05 -0.14 -0.10 0.00 -1.12 0.00 0.00 38.32 39.01 2kvv h ASN 64 CO 0.14 0.49 0.28 0.50 -1.29 0.00 0.00 177.43 177.56 2kvv h LYS 65 N 0.99 0.39 -0.45 0.81 3.64 -1.41 -1.54 116.57 119.00 2kvv h LYS 65 Ca 0.49 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.72 2kvv h LYS 65 Cb 0.48 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2kvv h LYS 65 CO -0.25 0.26 -0.22 0.35 -2.27 0.00 0.00 179.45 177.31 2kvv h PHE 66 N 0.40 1.08 -0.78 1.91 3.57 -1.16 -1.52 116.94 120.45 2kvv h PHE 66 Ca 0.43 -0.27 0.07 0.00 3.53 0.00 0.00 57.97 61.73 2kvv h PHE 66 Cb 0.69 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 2kvv h PHE 66 CO -0.18 1.08 0.51 0.82 -2.23 0.00 0.00 178.31 178.31 2kvv h ILE 67 N 0.78 1.01 0.15 1.41 2.04 -0.25 -1.40 117.51 121.25 2kvv h ILE 67 Ca 0.10 -0.28 -0.30 0.00 1.00 0.00 0.00 64.86 65.38 2kvv h ILE 67 Cb 0.80 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2kvv h ILE 67 CO 0.07 0.15 -1.45 -0.09 0.00 0.00 0.00 178.15 176.83 2kvv h ARG 68 N 0.81 0.31 0.43 2.37 2.43 -1.38 -3.33 114.38 116.01 2kvv h ARG 68 Ca 0.34 -0.53 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2kvv h ARG 68 Cb 0.29 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2kvv h ARG 68 CO -0.12 1.21 -0.32 0.22 -1.51 0.00 0.00 179.97 179.46 2kvv h ASP 69 N 0.09 -0.82 -0.45 -3.80 3.58 -0.46 0.25 116.42 114.79 2kvv h ASP 69 Ca -0.22 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.25 2kvv h ASP 69 Cb 2.03 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 43.32 2kvv h ASP 69 CO 0.19 -0.48 0.16 0.28 -2.88 0.00 0.00 179.24 176.52 2kvv h SER 70 N -0.74 0.69 1.16 2.28 0.02 -1.48 -2.85 113.55 112.64 2kvv h SER 70 Ca -0.04 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2kvv h SER 70 Cb 0.63 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2kvv h SER 70 CO 0.01 0.66 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.40 2kvv h LEU 71 N 0.74 0.00 0.00 5.07 4.07 -1.64 -3.48 115.31 120.07 2kvv h LEU 71 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2kvv h LEU 71 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2kvv h LEU 71 CO -0.01 0.41 0.00 -0.62 -1.08 0.00 0.00 178.44 177.14 2kvv n GLU 72 N -3.00 0.00 0.00 1.13 1.02 0.85 -4.82 120.64 115.82 2kvv n GLU 72 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kvv n GLU 72 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.15 2kvv n GLU 72 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kvv n HIS 73 N 0.00 0.00 -3.98 -0.32 1.44 -1.26 -4.09 115.22 107.00 2kvv n HIS 73 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 2kvv n HIS 73 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 2kvv n HIS 73 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvv s HIS 74 N 0.00 3.63 -0.80 -1.40 5.65 -1.26 -5.05 115.29 116.06 2kvv s HIS 74 Ca 0.00 -2.74 -0.25 0.00 0.25 0.00 0.00 55.06 52.31 2kvv s HIS 74 Cb 0.00 -2.77 -0.06 0.00 -1.18 0.00 0.00 32.58 28.57 2kvv s HIS 74 CO 0.00 -0.93 2.03 -1.01 -0.65 0.00 0.00 174.74 174.17 2kvv s HIS 75 N 0.99 1.63 -0.57 3.88 0.09 -1.26 -4.90 115.29 115.14 2kvv s HIS 75 Ca 0.06 0.93 -0.27 0.00 -0.00 0.00 0.00 55.06 55.79 2kvv s HIS 75 Cb -0.20 -3.93 -0.02 0.00 -0.00 0.00 0.00 32.58 28.43 2kvv s HIS 75 CO -0.07 -1.89 1.89 -1.58 -0.00 0.00 0.00 174.74 173.10 2kvv s HIS 76 N 10.72 1.64 -0.10 1.40 5.65 -1.26 -4.75 115.29 128.58 2kvv s HIS 76 Ca 0.75 0.83 0.15 0.00 0.25 0.00 0.00 55.06 57.04 2kvv s HIS 76 Cb -0.10 -4.06 0.23 0.00 -1.18 0.00 0.00 32.58 27.48 2kvv s HIS 76 CO 0.07 -2.39 1.12 -2.39 -0.65 0.00 0.00 174.74 170.50 2kvv n HIS 77 N 12.70 0.00 -0.09 3.88 1.44 -1.26 -5.24 115.22 126.64 2kvv n HIS 77 Ca 0.22 -0.89 0.00 0.00 -2.01 0.00 0.00 57.72 55.04 2kvv n HIS 77 Cb 0.52 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.50 2kvv n HIS 77 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25