#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 -0.42 -0.23 3.04 0.00 -1.26 -5.16 121.76 117.73 2kvv s ALA 2 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2kvv s ALA 2 Cb 0.00 0.28 0.10 0.00 0.00 0.00 0.00 23.12 23.51 2kvv s ALA 2 CO 0.00 -0.37 0.47 1.14 0.00 0.00 0.00 175.76 177.01 2kvv s GLN 3 N -2.54 0.39 -0.44 0.00 -2.07 -1.26 -5.13 119.66 108.61 2kvv s GLN 3 Ca -0.05 1.12 -0.12 0.00 -1.82 0.00 0.00 55.36 54.48 2kvv s GLN 3 Cb -0.01 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.42 2kvv s GLN 3 CO -0.04 -0.26 0.32 0.42 -1.32 0.00 0.00 175.29 174.41 2kvv s ILE 4 N 2.68 4.72 -0.73 3.63 -1.09 -1.26 -5.04 121.20 124.11 2kvv s ILE 4 Ca -0.02 -1.19 -0.20 0.00 -2.23 0.00 0.00 60.65 57.01 2kvv s ILE 4 Cb -0.12 -3.83 0.11 0.00 -1.58 0.00 0.00 42.46 37.03 2kvv s ILE 4 CO -0.14 -0.51 0.93 -0.63 -1.23 0.00 0.00 174.94 173.35 2kvv s ILE 5 N 1.54 4.65 0.01 2.92 1.09 -1.26 -4.99 121.20 125.16 2kvv s ILE 5 Ca 0.03 -1.01 -0.13 0.00 -1.10 0.00 0.00 60.65 58.44 2kvv s ILE 5 Cb -0.23 -4.65 0.02 0.00 -1.06 0.00 0.00 42.46 36.54 2kvv s ILE 5 CO 0.05 -1.36 0.28 -0.36 -0.10 0.00 0.00 174.94 173.45 2kvv s PHE 6 N 3.07 -0.11 -0.04 3.97 0.08 -1.26 -5.16 117.98 118.53 2kvv s PHE 6 Ca 0.22 0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 2kvv s PHE 6 Cb -0.15 0.07 0.03 0.00 -0.57 0.00 0.00 43.02 42.40 2kvv s PHE 6 CO 0.02 -0.43 0.07 0.54 -0.10 0.00 0.00 175.22 175.33 2kvv s ASN 7 N -1.69 0.63 -0.01 1.36 2.20 -1.26 -5.15 114.94 111.01 2kvv s ASN 7 Ca -0.10 0.13 0.07 0.00 -0.94 0.00 0.00 52.86 52.02 2kvv s ASN 7 Cb -0.03 -0.02 -0.02 0.00 -2.00 0.00 0.00 41.25 39.18 2kvv s ASN 7 CO 0.00 -0.20 -0.22 -1.61 -2.94 0.00 0.00 177.10 172.13 2kvv s GLU 8 N 1.75 1.76 -0.35 3.55 2.02 -1.26 -4.99 118.70 121.19 2kvv s GLU 8 Ca -0.01 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.14 2kvv s GLU 8 Cb -0.12 -1.74 0.11 0.00 0.10 0.00 0.00 34.13 32.48 2kvv s GLU 8 CO -0.04 0.47 0.14 -1.21 0.02 0.00 0.00 175.26 174.65 2kvv s GLU 9 N -0.66 0.83 -0.34 1.61 2.02 -1.26 -5.08 118.70 115.82 2kvv s GLU 9 Ca 0.09 -1.32 -0.12 0.00 0.02 0.00 0.00 54.97 53.64 2kvv s GLU 9 Cb -0.09 -1.99 -0.00 0.00 0.10 0.00 0.00 34.13 32.14 2kvv s GLU 9 CO -0.00 -1.05 0.21 -1.58 0.02 0.00 0.00 175.26 172.85 2kvv s TRP 10 N 1.26 3.21 0.06 1.61 0.52 -1.25 -0.80 118.94 123.55 2kvv s TRP 10 Ca 0.12 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.79 2kvv s TRP 10 Cb -0.20 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 2kvv s TRP 10 CO -0.17 -0.45 -0.08 0.00 0.02 0.00 0.00 176.95 176.27 2kvv s MET 11 N 1.65 0.64 0.87 4.98 0.23 -0.47 -4.78 119.30 122.42 2kvv s MET 11 Ca 0.05 -0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 53.63 2kvv s MET 11 Cb -0.18 -0.30 0.13 0.00 -1.53 0.00 0.00 34.83 32.95 2kvv s MET 11 CO 0.08 0.04 1.23 0.14 -2.03 0.00 0.00 175.02 174.48 2kvv s VAL 12 N -2.07 2.02 0.13 5.16 -7.23 -1.26 -0.34 120.40 116.80 2kvv s VAL 12 Ca -0.03 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.82 2kvv s VAL 12 Cb -0.05 -2.99 -0.06 0.00 0.56 0.00 0.00 36.38 33.83 2kvv s VAL 12 CO -0.01 0.00 1.58 -0.08 -0.31 0.00 0.00 175.10 176.28 2kvv h GLU 13 N -1.27 -0.49 -0.95 4.82 4.81 -1.99 0.23 114.58 119.74 2kvv h GLU 13 Ca -0.45 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 2kvv h GLU 13 Cb 1.29 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.71 2kvv h GLU 13 CO 0.53 -0.33 0.60 -0.22 -0.73 0.00 0.00 179.01 178.86 2kvv h LYS 14 N -0.51 1.01 -0.19 1.92 3.11 -2.01 -0.66 116.57 119.24 2kvv h LYS 14 Ca 0.07 -0.06 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 2kvv h LYS 14 Cb 0.63 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2kvv h LYS 14 CO -0.38 0.67 -0.65 0.00 -2.81 0.00 0.00 179.45 176.28 2kvv h ALA 15 N 1.47 0.48 -0.29 5.00 0.00 -1.82 -3.29 119.26 120.81 2kvv h ALA 15 Ca 0.43 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2kvv h ALA 15 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kvv h ALA 15 CO -0.21 0.70 0.13 1.25 0.00 0.00 0.00 179.25 181.12 2kvv h LEU 16 N 0.52 0.38 -1.38 0.00 7.12 0.52 -1.21 115.31 121.26 2kvv h LEU 16 Ca -0.02 -0.14 0.08 0.00 0.13 0.00 0.00 57.88 57.93 2kvv h LEU 16 Cb 1.25 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 41.23 2kvv h LEU 16 CO 0.13 0.42 0.49 0.00 -0.13 0.00 0.00 178.44 179.35 2kvv h MET 17 N 0.32 0.70 0.01 1.25 -0.00 -1.26 0.49 114.93 116.44 2kvv h MET 17 Ca 0.10 -0.04 -0.26 0.00 -0.00 0.00 0.00 59.70 59.50 2kvv h MET 17 Cb 0.15 -0.16 0.02 0.00 -0.00 0.00 0.00 31.60 31.61 2kvv h MET 17 CO -0.01 0.47 -1.00 0.28 -0.00 0.00 0.00 176.91 176.65 2kvv h VAL 18 N 0.72 1.30 0.00 -0.10 2.07 -1.55 0.13 116.25 118.82 2kvv h VAL 18 Ca 0.33 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 2kvv h VAL 18 Cb 0.34 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2kvv h VAL 18 CO -0.12 0.69 -0.10 0.03 0.02 0.00 0.00 177.57 178.09 2kvv h ARG 19 N 0.33 0.00 0.00 1.57 2.47 -0.65 -3.32 114.38 114.78 2kvv h ARG 19 Ca -0.13 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.38 2kvv h ARG 19 Cb 1.66 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.94 2kvv h ARG 19 CO 0.20 0.10 -1.81 0.25 0.56 0.00 0.00 179.97 179.27 2kvv n THR 20 N -3.18 0.81 -0.04 2.04 -2.24 0.11 -5.02 114.28 106.77 2kvv n THR 20 Ca 0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2kvv n THR 20 Cb 0.44 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 2.31 0.57 3.87 3.38 0.00 0.43 -5.07 105.19 110.68 2kvv n GLY 21 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 2.36 0.28 0.99 1.02 -1.02 -4.99 118.68 117.31 2kvv s LEU 22 Ca 0.00 0.70 0.09 0.00 0.02 0.00 0.00 54.13 54.95 2kvv s LEU 22 Cb 0.00 -3.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.14 2kvv s LEU 22 CO 0.00 -2.34 0.02 -0.83 0.02 0.00 0.00 176.35 173.22 2kvv s GLY 23 N -4.49 1.72 0.20 -3.19 0.00 -1.26 -4.58 107.32 95.71 2kvv s GLY 23 Ca 0.65 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.55 2kvv s GLY 23 CO 0.51 -1.74 1.68 0.00 0.00 0.00 0.00 173.10 173.56 2kvv h ALA 24 N 1.83 0.53 0.00 3.20 0.00 -1.97 0.26 119.26 123.11 2kvv h ALA 24 Ca -0.44 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2kvv h ALA 24 Cb 1.25 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kvv h ALA 24 CO 0.61 -0.38 -0.09 0.07 0.00 0.00 0.00 179.25 179.46 2kvv h ARG 25 N 0.14 0.00 0.18 0.00 0.11 -2.00 -2.27 114.38 110.54 2kvv h ARG 25 Ca 0.27 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.03 2kvv h ARG 25 Cb 0.42 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.51 2kvv h ARG 25 CO -0.44 0.09 -1.55 0.37 0.10 0.00 0.00 179.97 178.54 2kvv h GLN 26 N 0.00 0.38 0.22 0.08 4.15 -1.42 -3.20 115.11 115.32 2kvv h GLN 26 Ca -0.00 -0.66 -0.01 0.00 0.77 0.00 0.00 58.65 58.75 2kvv h GLN 26 Cb 0.26 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2kvv h GLN 26 CO 0.01 1.31 -0.10 0.82 -1.93 0.00 0.00 178.83 178.94 2kvv h ILE 27 N -0.02 0.82 -0.37 2.39 2.04 -0.86 -2.73 117.51 118.79 2kvv h ILE 27 Ca -0.30 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.44 2kvv h ILE 27 Cb 2.00 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2kvv h ILE 27 CO 0.17 0.04 0.25 1.05 0.00 0.00 0.00 178.15 179.66 2kvv h GLU 28 N -0.37 0.26 -0.59 2.37 4.11 -1.58 -0.46 114.58 118.32 2kvv h GLU 28 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2kvv h GLU 28 Cb 0.29 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2kvv h GLU 28 CO 0.05 0.17 0.35 1.03 0.07 0.00 0.00 179.01 180.68 2kvv h SER 29 N 0.27 0.71 0.67 3.06 0.87 -1.49 -2.65 113.55 115.00 2kvv h SER 29 Ca 0.16 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 2kvv h SER 29 Cb 0.31 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2kvv h SER 29 CO -0.03 0.57 -0.42 1.88 -0.53 0.00 0.00 176.83 178.30 2kvv h TYR 30 N 0.79 0.00 0.00 2.24 0.05 -0.83 -2.69 116.97 116.53 2kvv h TYR 30 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 2kvv h TYR 30 Cb -0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2kvv h TYR 30 CO -0.02 0.42 0.00 0.54 -1.05 0.00 0.00 178.16 178.05 2kvv n ARG 31 N -3.71 0.01 0.00 4.88 1.74 -0.60 -0.40 116.66 118.58 2kvv n ARG 31 Ca -0.01 0.34 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2kvv n ARG 31 Cb 0.50 -1.53 0.43 0.00 -1.02 0.00 0.00 32.46 30.85 2kvv n ARG 31 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2kvv n GLN 32 N -1.55 0.05 0.00 5.56 6.02 -1.01 -4.71 117.38 121.74 2kvv n GLN 32 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kvv n GLN 32 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2kvv n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kvv n GLY 33 N 1.48 -0.39 0.25 1.08 0.00 -0.84 -4.98 105.19 101.80 2kvv n GLY 33 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 1.25 -2.63 4.61 0.00 -1.03 -3.43 119.26 118.04 2kvv h ALA 34 Ca 0.00 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 54.14 2kvv h ALA 34 Cb 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 17.70 2kvv h ALA 34 CO 0.00 0.49 0.46 -1.58 0.00 0.00 0.00 179.25 178.62 2kvv s TRP 35 N -4.73 3.07 -0.02 0.00 0.23 -0.39 -4.99 118.94 112.11 2kvv s TRP 35 Ca -0.07 1.58 0.00 0.00 -2.03 0.00 0.00 56.10 55.58 2kvv s TRP 35 Cb 0.15 -3.28 0.02 0.00 0.03 0.00 0.00 33.47 30.39 2kvv s TRP 35 CO 0.77 -1.12 0.02 0.42 0.96 0.00 0.00 176.95 178.00 2kvv s ILE 36 N -1.57 0.01 0.24 2.03 1.01 -1.26 -4.95 121.20 116.72 2kvv s ILE 36 Ca 0.60 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 61.08 2kvv s ILE 36 Cb -0.26 -0.11 -0.13 0.00 0.01 0.00 0.00 42.46 41.97 2kvv s ILE 36 CO 0.33 0.08 1.49 -0.62 0.00 0.00 0.00 174.94 176.22 2kvv n GLU 37 N 3.92 2.26 0.00 2.79 1.02 -1.26 -0.97 120.64 128.40 2kvv n GLU 37 Ca -0.24 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2kvv n GLU 37 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 2kvv n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kvv n GLY 38 N 2.39 1.40 0.21 0.62 0.00 0.24 -4.57 105.19 105.48 2kvv n GLY 38 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -3.37 116.25 114.55 2kvv h VAL 39 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2kvv h VAL 39 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2kvv h VAL 39 CO 0.00 0.00 -0.61 1.41 0.02 0.00 0.00 177.57 178.39 2kvv n HIS 40 N -4.28 0.00 -3.51 1.57 8.25 -0.14 -4.71 115.22 112.40 2kvv n HIS 40 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 2kvv n HIS 40 Cb 0.19 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.80 -0.45 0.21 4.41 -0.12 -0.92 -0.67 117.98 117.63 2kvv s PHE 41 Ca 0.14 0.51 0.10 0.00 -0.05 0.00 0.00 56.93 57.63 2kvv s PHE 41 Cb 0.17 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 43.02 2kvv s PHE 41 CO 0.70 -0.58 -0.19 -1.59 -0.05 0.00 0.00 175.22 173.51 2kvv s LYS 42 N -2.42 1.42 -0.30 1.99 -2.85 -0.03 0.80 119.74 118.34 2kvv s LYS 42 Ca -0.01 -1.55 -0.09 0.00 -1.00 0.00 0.00 55.97 53.32 2kvv s LYS 42 Cb -0.01 -1.45 -0.01 0.00 -2.06 0.00 0.00 37.83 34.30 2kvv s LYS 42 CO -0.04 0.28 0.14 0.50 0.10 0.00 0.00 175.35 176.33 2kvv s ARG 43 N -3.15 3.37 -0.08 1.78 3.52 -1.26 -1.81 118.95 121.33 2kvv s ARG 43 Ca 0.21 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 2kvv s ARG 43 Cb -0.05 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2kvv s ARG 43 CO 0.09 -0.39 -0.17 0.08 -0.81 0.00 0.00 175.30 174.10 2kvv s VAL 44 N 1.61 2.73 0.45 7.11 1.01 0.12 -4.99 120.40 128.44 2kvv s VAL 44 Ca 0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2kvv s VAL 44 Cb -0.17 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 2kvv s VAL 44 CO 0.06 0.56 0.86 -0.94 0.00 0.00 0.00 175.10 175.64 2kvv s SER 45 N -0.13 6.56 0.95 3.32 1.04 -1.26 0.33 113.70 124.50 2kvv s SER 45 Ca -0.02 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 2kvv s SER 45 Cb -0.14 -2.40 0.15 0.00 0.10 0.00 0.00 66.02 63.73 2kvv s SER 45 CO 0.04 -0.48 1.05 -2.65 0.98 0.00 0.00 173.24 172.18 2kvv n PRO 46 N -1.44 -0.65 -2.06 4.02 -0.02 -1.26 -4.83 135.00 128.77 2kvv n PRO 46 Ca 0.04 -0.13 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 2kvv n PRO 46 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2kvv n PRO 46 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kvv s SER 47 N -2.55 6.22 0.00 2.55 0.15 -1.26 -4.23 113.70 114.58 2kvv s SER 47 Ca 0.66 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.86 2kvv s SER 47 Cb -0.23 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2kvv s SER 47 CO 0.60 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2kvv n GLY 48 N 4.92 1.61 3.60 9.45 0.00 -1.26 -4.87 105.19 118.65 2kvv n GLY 48 Ca 0.20 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2kvv n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kvv s GLU 49 N 0.00 3.49 -1.21 1.61 2.02 -1.26 -4.93 118.70 118.43 2kvv s GLU 49 Ca 0.00 1.20 -0.20 0.00 0.02 0.00 0.00 54.97 56.00 2kvv s GLU 49 Cb 0.00 -4.10 0.05 0.00 0.10 0.00 0.00 34.13 30.18 2kvv s GLU 49 CO 0.00 -1.66 1.70 -1.59 0.02 0.00 0.00 175.26 173.72 2kvv s LYS 50 N 5.22 3.69 0.27 1.61 -2.85 -1.26 -4.28 119.74 122.14 2kvv s LYS 50 Ca 0.70 -1.65 -0.03 0.00 -1.00 0.00 0.00 55.97 53.99 2kvv s LYS 50 Cb -0.18 -5.45 -0.05 0.00 -2.06 0.00 0.00 37.83 30.09 2kvv s LYS 50 CO 0.33 -2.46 0.50 0.99 0.10 0.00 0.00 175.35 174.81 2kvv s THR 51 N 5.30 5.09 0.39 3.79 2.01 -1.26 -5.01 115.64 125.95 2kvv s THR 51 Ca 0.54 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.46 2kvv s THR 51 Cb 0.02 -3.76 0.17 0.00 0.01 0.00 0.00 72.50 68.95 2kvv s THR 51 CO 0.04 -0.32 1.94 -0.07 -0.69 0.00 0.00 174.62 175.51 2kvv h LEU 52 N 1.60 0.27 -8.09 4.42 -0.00 -2.03 -3.38 115.31 108.10 2kvv h LEU 52 Ca -0.48 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.22 2kvv h LEU 52 Cb 1.20 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 2kvv h LEU 52 CO 0.66 0.38 0.42 -0.13 -0.00 0.00 0.00 178.44 179.77 2kvv s ARG 53 N -4.85 1.73 0.07 1.13 1.81 -1.26 -4.92 118.95 112.65 2kvv s ARG 53 Ca -0.06 -0.55 -0.27 0.00 -1.72 0.00 0.00 55.73 53.13 2kvv s ARG 53 Cb 0.16 -5.05 -0.06 0.00 -0.45 0.00 0.00 34.95 29.55 2kvv s ARG 53 CO 0.73 -4.77 0.84 0.20 -0.68 0.00 0.00 175.30 171.62 2kvv s GLY 54 N 8.13 2.87 -0.19 -3.53 0.00 -1.26 -4.59 107.32 108.74 2kvv s GLY 54 Ca 0.78 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 45.60 2kvv s GLY 54 CO 0.14 1.23 1.15 -1.59 0.00 0.00 0.00 173.10 174.03 2kvv s THR 55 N -0.05 4.47 -0.33 0.90 2.01 0.15 -4.83 115.64 117.97 2kvv s THR 55 Ca 0.42 1.78 -0.11 0.00 0.31 0.00 0.00 61.69 64.09 2kvv s THR 55 Cb -0.22 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2kvv s THR 55 CO 0.26 -0.15 0.20 -0.89 -0.69 0.00 0.00 174.62 173.34 2kvv s THR 56 N 3.32 4.90 -0.18 -0.82 2.01 -1.26 -0.70 115.64 122.90 2kvv s THR 56 Ca 0.50 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 2kvv s THR 56 Cb -0.19 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2kvv s THR 56 CO 0.11 0.00 0.19 0.26 -0.69 0.00 0.00 174.62 174.49 2kvv s TRP 57 N 1.66 3.43 0.18 4.92 0.52 -0.75 -4.64 118.94 124.26 2kvv s TRP 57 Ca 0.05 0.42 -0.16 0.00 0.02 0.00 0.00 56.10 56.43 2kvv s TRP 57 Cb -0.17 -2.22 -0.08 0.00 -1.15 0.00 0.00 33.47 29.85 2kvv s TRP 57 CO 0.08 0.28 0.63 0.71 0.02 0.00 0.00 176.95 178.67 2kvv s TYR 58 N 0.36 3.61 -0.73 -1.98 2.02 0.53 -0.85 117.35 120.32 2kvv s TYR 58 Ca 0.11 1.19 -0.24 0.00 -0.37 0.00 0.00 57.07 57.76 2kvv s TYR 58 Cb -0.12 -2.47 0.06 0.00 -0.40 0.00 0.00 41.96 39.03 2kvv s TYR 58 CO 0.00 0.38 1.13 1.21 -1.57 0.00 0.00 175.55 176.70 2kvv s ASN 59 N -1.72 6.21 0.13 2.29 3.84 0.16 -1.37 114.94 124.47 2kvv s ASN 59 Ca 0.41 -0.86 -0.22 0.00 0.21 0.00 0.00 52.86 52.39 2kvv s ASN 59 Cb -0.15 -2.48 -0.04 0.00 -0.55 0.00 0.00 41.25 38.03 2kvv s ASN 59 CO 0.20 -1.59 1.68 0.22 -2.79 0.00 0.00 177.10 174.82 2kvv h TYR 60 N 9.73 -0.33 -0.88 0.43 3.20 -1.29 -1.18 116.97 126.64 2kvv h TYR 60 Ca -0.23 0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.87 2kvv h TYR 60 Cb 1.06 0.16 -0.12 0.00 1.54 0.00 0.00 36.73 39.37 2kvv h TYR 60 CO 1.06 -0.20 0.38 -1.35 -1.64 0.00 0.00 178.16 176.42 2kvv h PRO 61 N -0.17 0.40 -0.55 1.82 0.11 -1.92 0.16 132.00 131.85 2kvv h PRO 61 Ca 0.08 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.06 2kvv h PRO 61 Cb 0.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2kvv h PRO 61 CO -0.21 0.26 -0.08 0.93 -0.21 0.00 0.00 178.00 178.70 2kvv h GLU 62 N 0.41 1.03 -0.19 1.05 4.39 -1.73 -2.31 114.58 117.23 2kvv h GLU 62 Ca 0.54 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 2kvv h GLU 62 Cb 1.00 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2kvv h GLU 62 CO -0.51 1.06 -0.20 0.82 -1.16 0.00 0.00 179.01 179.01 2kvv h ILE 63 N 0.91 1.23 -0.64 3.13 2.04 0.00 -1.15 117.51 123.04 2kvv h ILE 63 Ca 0.15 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2kvv h ILE 63 Cb 0.65 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2kvv h ILE 63 CO 0.04 0.33 0.41 -1.13 0.00 0.00 0.00 178.15 177.80 2kvv h ASN 64 N 0.30 0.76 0.41 1.72 -1.24 -0.51 0.73 115.58 117.74 2kvv h ASN 64 Ca 0.05 -0.04 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 2kvv h ASN 64 Cb 0.53 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2kvv h ASN 64 CO 0.04 0.57 -0.17 0.50 -1.29 0.00 0.00 177.43 177.08 2kvv h LYS 65 N 0.87 0.00 0.12 6.67 3.64 -0.81 0.10 116.57 127.16 2kvv h LYS 65 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2kvv h LYS 65 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2kvv h LYS 65 CO -0.05 0.17 -0.06 0.35 -2.27 0.00 0.00 179.45 177.60 2kvv h PHE 66 N 0.00 -0.15 -0.27 1.91 3.57 -0.45 -3.24 116.94 118.31 2kvv h PHE 66 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2kvv h PHE 66 Cb 0.42 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2kvv h PHE 66 CO 0.00 0.34 0.22 0.82 -2.23 0.00 0.00 178.31 177.46 2kvv h ILE 67 N -0.76 0.71 -0.32 1.41 2.04 -0.60 -2.40 117.51 117.59 2kvv h ILE 67 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2kvv h ILE 67 Cb 0.55 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 2kvv h ILE 67 CO 0.03 0.00 -0.45 -0.09 0.00 0.00 0.00 178.15 177.64 2kvv h ARG 68 N 0.00 -0.38 -0.45 2.37 9.65 -1.00 0.45 114.38 125.03 2kvv h ARG 68 Ca 0.13 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.12 2kvv h ARG 68 Cb 0.57 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.16 2kvv h ARG 68 CO -0.00 -0.25 0.02 0.22 2.80 0.00 0.00 179.97 182.76 2kvv h ASP 69 N -0.39 -0.14 0.65 -3.80 3.58 -1.54 -2.17 116.42 112.61 2kvv h ASP 69 Ca 0.11 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 2kvv h ASP 69 Cb 0.60 0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.82 2kvv h ASP 69 CO -0.53 -0.03 -0.31 0.28 -2.88 0.00 0.00 179.24 175.77 2kvv h SER 70 N 0.14 -0.74 -0.65 2.28 0.02 -1.51 -3.21 113.55 109.89 2kvv h SER 70 Ca 0.22 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2kvv h SER 70 Cb 0.32 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 2kvv h SER 70 CO -0.35 -0.46 0.43 0.25 -1.14 0.00 0.00 176.83 175.56 2kvv h LEU 71 N -0.99 0.53 0.56 5.07 5.85 -0.71 0.19 115.31 125.82 2kvv h LEU 71 Ca -0.09 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2kvv h LEU 71 Cb 0.70 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.63 2kvv h LEU 71 CO 0.15 0.34 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.99 2kvv h GLU 72 N 0.60 -0.73 -0.64 1.25 4.39 -1.43 -3.27 114.58 114.76 2kvv h GLU 72 Ca 0.29 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2kvv h GLU 72 Cb 0.34 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kvv h GLU 72 CO -0.09 -0.42 0.00 -2.39 -1.16 0.00 0.00 179.01 174.95 2kvv n HIS 73 N -5.30 1.63 -4.54 4.33 1.44 -1.15 -4.87 115.22 106.75 2kvv n HIS 73 Ca -0.11 -0.59 -0.26 0.00 -2.01 0.00 0.00 57.72 54.76 2kvv n HIS 73 Cb 0.33 -0.37 -0.08 0.00 0.12 0.00 0.00 29.99 29.98 2kvv n HIS 73 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kvv s HIS 74 N -2.26 1.83 -0.34 -1.40 3.76 0.67 -5.06 115.29 112.48 2kvv s HIS 74 Ca 0.46 -1.18 -0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2kvv s HIS 74 Cb 0.33 -1.24 0.11 0.00 1.11 0.00 0.00 32.58 32.89 2kvv s HIS 74 CO 0.17 -0.17 0.14 -1.01 -0.85 0.00 0.00 174.74 173.02 2kvv s HIS 75 N -3.18 1.64 -1.32 1.40 0.09 -1.26 -4.71 115.29 107.95 2kvv s HIS 75 Ca 0.24 -1.86 -0.17 0.00 -0.00 0.00 0.00 55.06 53.26 2kvv s HIS 75 Cb 0.03 -1.66 0.05 0.00 -0.00 0.00 0.00 32.58 31.01 2kvv s HIS 75 CO 0.13 -0.85 1.86 1.58 -0.00 0.00 0.00 174.74 177.46 2kvv n HIS 76 N 4.48 4.27 -2.23 1.40 -0.00 -1.26 -4.92 115.22 116.95 2kvv n HIS 76 Ca 0.02 -2.77 -0.36 0.00 -0.00 0.00 0.00 57.72 54.60 2kvv n HIS 76 Cb 0.40 -2.60 -0.04 0.00 -0.00 0.00 0.00 29.99 27.75 2kvv n HIS 76 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvv s HIS 77 N 4.42 1.97 0.00 1.57 2.46 -1.26 -5.20 115.29 119.24 2kvv s HIS 77 Ca 0.53 0.31 0.00 0.00 0.47 0.00 0.00 55.06 56.38 2kvv s HIS 77 Cb 0.06 -4.28 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 2kvv s HIS 77 CO 0.05 -2.05 0.00 1.58 -2.47 0.00 0.00 174.74 171.85