#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 3.82 -0.15 3.04 0.00 -1.26 -5.10 121.76 122.11 2kvv s ALA 2 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2kvv s ALA 2 Cb 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2kvv s ALA 2 CO 0.00 0.55 -0.21 -1.14 0.00 0.00 0.00 175.76 174.96 2kvv s GLN 3 N -0.95 3.03 -0.91 0.00 0.74 -1.26 -5.06 119.66 115.25 2kvv s GLN 3 Ca 0.17 -0.84 -0.24 0.00 0.05 0.00 0.00 55.36 54.49 2kvv s GLN 3 Cb -0.13 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 2kvv s GLN 3 CO 0.06 -0.04 1.85 0.42 -0.55 0.00 0.00 175.29 177.03 2kvv s ILE 4 N 0.88 3.53 -0.77 -2.34 -1.09 -1.26 -4.92 121.20 115.24 2kvv s ILE 4 Ca -0.05 -0.40 -0.16 0.00 -2.23 0.00 0.00 60.65 57.81 2kvv s ILE 4 Cb -0.15 -4.19 0.18 0.00 -1.58 0.00 0.00 42.46 36.71 2kvv s ILE 4 CO -0.03 -1.13 0.77 -0.63 -1.23 0.00 0.00 174.94 172.69 2kvv s ILE 5 N 9.11 5.32 -1.49 2.92 -1.09 -1.26 -4.54 121.20 130.17 2kvv s ILE 5 Ca 0.65 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 2kvv s ILE 5 Cb -0.06 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 2kvv s ILE 5 CO -0.01 -1.09 0.00 0.49 -1.23 0.00 0.00 174.94 173.10 2kvv n PHE 6 N 4.85 -0.77 0.06 3.97 3.72 -1.26 -4.84 117.46 123.19 2kvv n PHE 6 Ca 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.42 2kvv n PHE 6 Cb 0.46 -3.04 0.12 0.00 -0.94 0.00 0.00 39.48 36.08 2kvv n PHE 6 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2kvv h ASN 7 N 0.00 0.36 -0.98 4.37 -0.00 -1.93 -3.39 115.58 114.01 2kvv h ASN 7 Ca -0.34 -0.19 -0.56 0.00 -0.00 0.00 0.00 56.30 55.20 2kvv h ASN 7 Cb 1.15 -0.10 -0.09 0.00 -0.00 0.00 0.00 38.32 39.28 2kvv h ASN 7 CO 0.45 0.84 1.50 -1.61 -0.00 0.00 0.00 177.43 178.61 2kvv s GLU 8 N -3.89 3.46 -1.07 6.67 2.02 -1.26 -4.90 118.70 119.73 2kvv s GLU 8 Ca -0.05 -1.16 -0.16 0.00 0.02 0.00 0.00 54.97 53.62 2kvv s GLU 8 Cb 0.12 -5.34 0.15 0.00 0.10 0.00 0.00 34.13 29.16 2kvv s GLU 8 CO 0.80 -2.47 1.29 -2.00 0.02 0.00 0.00 175.26 172.91 2kvv s GLU 9 N 5.21 3.85 0.11 1.61 2.56 -1.26 -5.01 118.70 125.76 2kvv s GLU 9 Ca 0.52 -2.18 -0.10 0.00 0.00 0.00 0.00 54.97 53.22 2kvv s GLU 9 Cb -0.00 -5.00 -0.06 0.00 2.00 0.00 0.00 34.13 31.07 2kvv s GLU 9 CO -0.04 -1.78 0.43 -1.58 -0.56 0.00 0.00 175.26 171.73 2kvv s TRP 10 N 2.15 3.56 0.14 5.30 0.52 -1.26 -1.37 118.94 127.98 2kvv s TRP 10 Ca 0.38 0.80 -0.24 0.00 0.02 0.00 0.00 56.10 57.06 2kvv s TRP 10 Cb -0.04 -2.17 0.07 0.00 -1.15 0.00 0.00 33.47 30.18 2kvv s TRP 10 CO -0.04 0.48 0.63 0.00 0.02 0.00 0.00 176.95 178.03 2kvv s MET 11 N -2.08 1.23 0.62 4.98 0.23 -0.63 -4.90 119.30 118.75 2kvv s MET 11 Ca 0.36 -0.43 -0.09 0.00 -1.03 0.00 0.00 55.69 54.51 2kvv s MET 11 Cb -0.14 0.57 -0.00 0.00 -1.53 0.00 0.00 34.83 33.73 2kvv s MET 11 CO 0.19 -0.53 0.98 0.14 -2.03 0.00 0.00 175.02 173.77 2kvv s VAL 12 N -3.59 3.90 0.20 5.16 -7.23 -1.26 -0.28 120.40 117.30 2kvv s VAL 12 Ca 0.01 0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 60.40 2kvv s VAL 12 Cb -0.01 -3.57 0.14 0.00 0.56 0.00 0.00 36.38 33.50 2kvv s VAL 12 CO -0.12 -0.68 1.71 -0.08 -0.31 0.00 0.00 175.10 175.62 2kvv h GLU 13 N -0.33 0.23 -0.20 4.82 4.81 -1.99 0.29 114.58 122.22 2kvv h GLU 13 Ca -0.45 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2kvv h GLU 13 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2kvv h GLU 13 CO 0.62 0.15 0.09 -0.22 -0.73 0.00 0.00 179.01 178.92 2kvv h LYS 14 N 0.24 0.27 0.10 1.92 3.11 -2.00 -2.14 116.57 118.07 2kvv h LYS 14 Ca 0.28 -0.02 -0.29 0.00 -2.81 0.00 0.00 60.65 57.81 2kvv h LYS 14 Cb 0.41 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2kvv h LYS 14 CO -0.37 0.22 -1.45 0.00 -2.81 0.00 0.00 179.45 175.03 2kvv h ALA 15 N 1.83 0.30 0.02 5.00 0.00 -1.55 -3.33 119.26 121.53 2kvv h ALA 15 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2kvv h ALA 15 Cb 0.04 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kvv h ALA 15 CO -0.01 1.16 -0.04 1.25 0.00 0.00 0.00 179.25 181.62 2kvv h LEU 16 N 0.06 -0.10 -1.45 0.00 7.12 0.13 -1.68 115.31 119.38 2kvv h LEU 16 Ca -0.21 0.01 0.05 0.00 0.13 0.00 0.00 57.88 57.86 2kvv h LEU 16 Cb 1.98 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 42.12 2kvv h LEU 16 CO 0.16 -0.06 0.42 0.00 -0.13 0.00 0.00 178.44 178.83 2kvv h MET 17 N -0.08 0.67 -0.03 1.25 -0.00 -1.59 -0.01 114.93 115.14 2kvv h MET 17 Ca 0.01 -0.04 -0.14 0.00 -0.00 0.00 0.00 59.70 59.53 2kvv h MET 17 Cb 0.09 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 2kvv h MET 17 CO -0.02 0.44 -0.63 0.28 -0.00 0.00 0.00 176.91 176.98 2kvv h VAL 18 N 0.69 1.42 0.03 -0.10 2.07 -1.52 -0.11 116.25 118.73 2kvv h VAL 18 Ca 0.26 -2.09 -0.28 0.00 0.82 0.00 0.00 66.70 65.41 2kvv h VAL 18 Cb 0.17 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2kvv h VAL 18 CO -0.08 0.61 -1.56 0.03 0.02 0.00 0.00 177.57 176.59 2kvv h ARG 19 N 0.08 0.07 0.01 1.57 3.08 -0.75 -3.39 114.38 115.04 2kvv h ARG 19 Ca -0.01 -0.12 -0.32 0.00 0.07 0.00 0.00 59.98 59.61 2kvv h ARG 19 Cb 1.13 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 2kvv h ARG 19 CO 0.09 0.77 -1.94 0.25 -1.07 0.00 0.00 179.97 178.06 2kvv n THR 20 N -3.22 1.55 -0.29 2.04 -2.24 -0.07 -4.99 114.28 107.06 2kvv n THR 20 Ca -0.15 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 2kvv n THR 20 Cb 1.03 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.65 0.75 3.85 3.38 0.00 -0.06 -5.07 105.19 109.68 2kvv n GLY 21 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 3.65 0.43 0.99 1.02 -1.22 -5.04 118.68 118.51 2kvv s LEU 22 Ca 0.00 1.52 0.02 0.00 0.02 0.00 0.00 54.13 55.69 2kvv s LEU 22 Cb 0.00 -4.45 -0.00 0.00 0.02 0.00 0.00 46.19 41.76 2kvv s LEU 22 CO 0.00 -0.56 0.63 -0.83 0.02 0.00 0.00 176.35 175.60 2kvv s GLY 23 N -3.08 1.60 0.20 -3.19 0.00 -1.26 -4.59 107.32 97.00 2kvv s GLY 23 Ca 0.58 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 2kvv s GLY 23 CO 0.31 -1.03 1.69 0.00 0.00 0.00 0.00 173.10 174.08 2kvv h ALA 24 N 0.50 0.58 0.00 3.20 0.00 -1.98 -0.93 119.26 120.63 2kvv h ALA 24 Ca -0.46 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kvv h ALA 24 Cb 1.26 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2kvv h ALA 24 CO 0.56 -0.35 -0.18 0.00 0.00 0.00 0.00 179.25 179.27 2kvv h ARG 25 N 0.18 0.00 0.42 0.00 2.47 -2.00 -2.07 114.38 113.39 2kvv h ARG 25 Ca 0.28 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 2kvv h ARG 25 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2kvv h ARG 25 CO -0.41 0.18 -0.20 1.96 0.56 0.00 0.00 179.97 182.06 2kvv h GLN 26 N 0.00 -0.55 0.04 0.04 1.08 -1.58 -3.19 115.11 110.95 2kvv h GLN 26 Ca -0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2kvv h GLN 26 Cb 0.39 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2kvv h GLN 26 CO 0.02 -0.24 -0.04 0.82 -0.95 0.00 0.00 178.83 178.44 2kvv h ILE 27 N -0.97 0.89 -1.00 2.54 2.04 -1.15 -1.99 117.51 117.88 2kvv h ILE 27 Ca -0.06 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.94 2kvv h ILE 27 Cb 0.56 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 2kvv h ILE 27 CO 0.10 0.00 0.62 1.05 0.00 0.00 0.00 178.15 179.92 2kvv h GLU 28 N -0.10 0.88 -0.25 2.37 4.11 -1.53 0.16 114.58 120.22 2kvv h GLU 28 Ca 0.00 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.28 2kvv h GLU 28 Cb 0.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2kvv h GLU 28 CO -0.02 0.59 -0.26 1.03 0.07 0.00 0.00 179.01 180.42 2kvv h SER 29 N 0.91 0.66 0.41 3.06 0.87 -1.47 -3.09 113.55 114.91 2kvv h SER 29 Ca 0.52 -0.47 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2kvv h SER 29 Cb 0.62 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2kvv h SER 29 CO -0.29 1.00 -0.30 1.88 -0.53 0.00 0.00 176.83 178.58 2kvv h TYR 30 N 0.34 0.00 -0.08 2.24 0.05 -0.55 -2.63 116.97 116.33 2kvv h TYR 30 Ca 0.04 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.84 2kvv h TYR 30 Cb 0.82 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 2kvv h TYR 30 CO 0.08 0.30 0.08 0.00 -1.05 0.00 0.00 178.16 177.57 2kvv h ARG 31 N 0.00 0.00 -0.64 4.88 3.08 -0.63 0.17 114.38 121.24 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2kvv h ARG 31 CO 0.04 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.98 2kvv n GLN 32 N -4.04 2.61 0.08 0.04 6.02 -0.99 -4.37 117.38 116.74 2kvv n GLN 32 Ca -0.01 -2.33 0.00 0.00 -0.01 0.00 0.00 57.00 54.65 2kvv n GLN 32 Cb 0.18 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.90 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 1.45 -0.60 0.14 1.08 0.00 -0.70 -4.95 105.19 101.62 2kvv n GLY 33 Ca 0.22 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.38 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 0.71 -2.82 4.61 0.00 -0.98 -3.46 119.26 117.31 2kvv h ALA 34 Ca 0.00 -0.36 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 2kvv h ALA 34 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.85 2kvv h ALA 34 CO 0.00 0.45 0.53 -1.58 0.00 0.00 0.00 179.25 178.65 2kvv s TRP 35 N -3.08 3.41 -0.06 0.00 0.23 -1.05 -5.01 118.94 113.38 2kvv s TRP 35 Ca 0.02 1.60 0.00 0.00 -2.03 0.00 0.00 56.10 55.69 2kvv s TRP 35 Cb 0.08 -3.41 0.02 0.00 0.03 0.00 0.00 33.47 30.19 2kvv s TRP 35 CO 0.75 -0.99 -0.03 0.42 0.96 0.00 0.00 176.95 178.06 2kvv s ILE 36 N -1.11 0.51 0.28 2.03 1.01 -1.26 -4.97 121.20 117.69 2kvv s ILE 36 Ca 0.46 -0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 2kvv s ILE 36 Cb -0.34 -0.57 -0.12 0.00 0.01 0.00 0.00 42.46 41.43 2kvv s ILE 36 CO 0.45 0.24 1.48 -1.84 0.00 0.00 0.00 174.94 175.27 2kvv n GLU 37 N 4.45 2.36 0.00 2.79 0.28 -1.26 -0.66 120.64 128.61 2kvv n GLU 37 Ca -0.18 0.84 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 2kvv n GLU 37 Cb 0.50 -2.54 0.00 0.00 1.43 0.00 0.00 31.44 30.83 2kvv n GLU 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kvv n GLY 38 N 1.88 1.26 0.14 -1.84 0.00 0.20 -4.54 105.19 102.30 2kvv n GLY 38 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 1.28 0.00 1.61 2.07 -1.99 -3.36 116.25 115.85 2kvv h VAL 39 Ca 0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2kvv h VAL 39 Cb 0.00 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kvv h VAL 39 CO 0.00 0.30 -1.33 1.41 0.02 0.00 0.00 177.57 177.96 2kvv n HIS 40 N -4.64 0.00 -3.56 1.57 8.25 0.17 -4.89 115.22 112.12 2kvv n HIS 40 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.31 2kvv n HIS 40 Cb 0.26 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.60 -0.33 -0.00 4.41 -0.12 -1.10 -0.95 117.98 117.29 2kvv s PHE 41 Ca -0.03 0.05 -0.14 0.00 -0.05 0.00 0.00 56.93 56.77 2kvv s PHE 41 Cb 0.07 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 2kvv s PHE 41 CO 0.42 -0.80 0.29 -1.59 -0.05 0.00 0.00 175.22 173.48 2kvv s LYS 42 N -3.79 0.67 -0.20 1.99 -2.85 -0.69 0.62 119.74 115.49 2kvv s LYS 42 Ca 0.03 -0.28 -0.19 0.00 -1.00 0.00 0.00 55.97 54.53 2kvv s LYS 42 Cb 0.00 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2kvv s LYS 42 CO -0.11 -0.19 0.56 1.03 0.10 0.00 0.00 175.35 176.75 2kvv s ARG 43 N -1.56 4.20 -0.19 1.78 0.52 -1.26 -0.89 118.95 121.56 2kvv s ARG 43 Ca -0.12 0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 2kvv s ARG 43 Cb -0.05 -3.57 0.03 0.00 0.52 0.00 0.00 34.95 31.88 2kvv s ARG 43 CO 0.03 -0.19 -0.17 0.08 0.02 0.00 0.00 175.30 175.07 2kvv s VAL 44 N 1.74 1.96 -0.05 3.52 1.01 0.45 -4.96 120.40 124.08 2kvv s VAL 44 Ca 0.26 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 2kvv s VAL 44 Cb -0.16 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2kvv s VAL 44 CO 0.10 0.42 0.60 -0.55 0.00 0.00 0.00 175.10 175.66 2kvv s SER 45 N 1.30 6.91 0.00 3.32 0.15 -1.26 -2.37 113.70 121.76 2kvv s SER 45 Ca 0.02 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2kvv s SER 45 Cb -0.14 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2kvv s SER 45 CO -0.11 0.02 0.65 -2.65 1.20 0.00 0.00 173.24 172.35 2kvv n PRO 46 N 3.24 0.00 -3.94 5.44 -0.02 -1.26 -4.63 135.00 133.82 2kvv n PRO 46 Ca -0.05 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 2kvv n PRO 46 Cb 0.51 -1.17 -0.14 0.00 -0.02 0.00 0.00 33.50 32.69 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 -1.99 4.77 0.00 2.55 0.15 -1.26 -5.00 113.70 112.92 2kvv s SER 47 Ca 0.00 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.25 2kvv s SER 47 Cb 0.00 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2kvv s SER 47 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2kvv n GLY 48 N 3.97 -2.78 0.08 9.45 0.00 -1.26 -4.72 105.19 109.93 2kvv n GLY 48 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2kvv n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kvv n GLU 49 N -0.45 0.93 0.00 1.61 1.02 -1.26 -3.01 120.64 119.48 2kvv n GLU 49 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 2kvv n GLU 49 Cb 0.00 -1.07 0.70 0.00 -0.02 0.00 0.00 31.44 31.05 2kvv n GLU 49 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kvv n LYS 50 N -0.42 0.72 -1.87 3.49 5.02 -1.26 -4.93 118.16 118.91 2kvv n LYS 50 Ca 0.00 -0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 55.82 2kvv n LYS 50 Cb 0.04 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.60 2kvv n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kvv s THR 51 N -2.40 3.42 -2.42 -0.18 -4.23 -1.16 -4.99 115.64 103.68 2kvv s THR 51 Ca 0.32 0.46 0.22 0.00 -1.18 0.00 0.00 61.69 61.51 2kvv s THR 51 Cb 0.20 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.91 2kvv s THR 51 CO 0.45 -0.60 1.29 0.18 -0.54 0.00 0.00 174.62 175.40 2kvv n LEU 52 N -3.03 3.15 -4.23 4.79 7.99 -1.26 -4.78 117.00 119.63 2kvv n LEU 52 Ca 0.07 -1.33 -0.41 0.00 -0.01 0.00 0.00 56.01 54.32 2kvv n LEU 52 Cb 0.57 -0.15 -0.04 0.00 -0.11 0.00 0.00 43.42 43.69 2kvv n LEU 52 CO 0.57 0.64 0.50 -0.13 -1.51 0.00 0.00 177.39 177.46 2kvv s ARG 53 N -1.54 3.61 -1.19 3.23 1.81 -1.26 -4.99 118.95 118.62 2kvv s ARG 53 Ca 0.32 -3.07 -0.12 0.00 -1.72 0.00 0.00 55.73 51.13 2kvv s ARG 53 Cb 0.20 -4.23 0.20 0.00 -0.45 0.00 0.00 34.95 30.67 2kvv s ARG 53 CO 0.28 -1.25 1.35 0.41 -0.68 0.00 0.00 175.30 175.42 2kvv n GLY 54 N 2.81 3.63 3.65 -3.53 0.00 -1.26 -4.42 105.19 106.06 2kvv n GLY 54 Ca 0.20 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2kvv n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvv s THR 55 N 0.74 3.29 -0.19 2.61 2.01 -1.00 -4.59 115.64 118.52 2kvv s THR 55 Ca 0.40 0.34 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 2kvv s THR 55 Cb -0.05 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2kvv s THR 55 CO -0.02 -0.06 0.51 -0.89 -0.69 0.00 0.00 174.62 173.47 2kvv s THR 56 N 4.92 5.11 0.03 -0.82 2.01 -1.26 -0.41 115.64 125.22 2kvv s THR 56 Ca 0.83 0.95 -0.00 0.00 0.31 0.00 0.00 61.69 63.77 2kvv s THR 56 Cb -0.36 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2kvv s THR 56 CO 0.35 0.19 0.15 0.26 -0.69 0.00 0.00 174.62 174.88 2kvv s TRP 57 N 1.56 3.41 0.10 4.92 0.52 -0.07 -4.66 118.94 124.72 2kvv s TRP 57 Ca 0.24 0.23 0.08 0.00 0.02 0.00 0.00 56.10 56.67 2kvv s TRP 57 Cb -0.15 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 2kvv s TRP 57 CO 0.10 0.58 -0.14 0.71 0.02 0.00 0.00 176.95 178.22 2kvv s TYR 58 N -1.37 2.65 -0.36 -1.98 2.02 0.62 -1.70 117.35 117.22 2kvv s TYR 58 Ca 0.29 -0.20 -0.22 0.00 -0.37 0.00 0.00 57.07 56.56 2kvv s TYR 58 Cb -0.13 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2kvv s TYR 58 CO 0.21 0.40 0.74 -0.80 -1.57 0.00 0.00 175.55 174.53 2kvv s ASN 59 N -2.11 6.51 0.09 2.29 0.01 -0.12 -1.60 114.94 120.01 2kvv s ASN 59 Ca 0.19 0.29 -0.22 0.00 -0.71 0.00 0.00 52.86 52.42 2kvv s ASN 59 Cb -0.11 -2.37 -0.12 0.00 0.41 0.00 0.00 41.25 39.06 2kvv s ASN 59 CO 0.11 -0.69 1.68 0.22 -1.51 0.00 0.00 177.10 176.92 2kvv h TYR 60 N 8.46 0.15 -0.50 2.20 3.20 -1.56 -1.57 116.97 127.34 2kvv h TYR 60 Ca -0.25 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.68 2kvv h TYR 60 Cb 1.10 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2kvv h TYR 60 CO 0.78 0.17 0.34 -1.00 -1.64 0.00 0.00 178.16 176.81 2kvv h PRO 61 N 0.08 0.40 -0.02 1.82 0.13 -1.91 0.32 132.00 132.82 2kvv h PRO 61 Ca 0.04 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2kvv h PRO 61 Cb 0.08 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2kvv h PRO 61 CO -0.01 0.26 -0.08 0.93 -0.23 0.00 0.00 178.00 178.88 2kvv h GLU 62 N 0.41 0.08 -0.17 0.86 4.39 -1.89 -2.93 114.58 115.33 2kvv h GLU 62 Ca 0.22 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2kvv h GLU 62 Cb 0.35 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2kvv h GLU 62 CO -0.06 0.73 -0.07 0.82 -1.16 0.00 0.00 179.01 179.27 2kvv h ILE 63 N -0.55 1.15 -0.75 3.13 2.04 -0.88 -2.08 117.51 119.58 2kvv h ILE 63 Ca -0.01 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.24 2kvv h ILE 63 Cb 0.74 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 2kvv h ILE 63 CO 0.02 0.20 0.47 -1.13 0.00 0.00 0.00 178.15 177.71 2kvv h ASN 64 N 0.24 0.78 -0.60 1.72 -1.24 -0.40 0.17 115.58 116.26 2kvv h ASN 64 Ca 0.05 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 2kvv h ASN 64 Cb 0.29 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 2kvv h ASN 64 CO 0.01 0.54 0.37 0.50 -1.29 0.00 0.00 177.43 177.56 2kvv h LYS 65 N 0.93 0.81 -0.27 6.67 1.63 -1.20 -2.47 116.57 122.66 2kvv h LYS 65 Ca 0.30 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2kvv h LYS 65 Cb 0.01 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2kvv h LYS 65 CO -0.11 0.57 0.05 0.35 -3.45 0.00 0.00 179.45 176.86 2kvv h PHE 66 N 0.81 0.40 -0.90 1.91 3.57 -0.73 -1.99 116.94 120.00 2kvv h PHE 66 Ca 0.22 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.81 2kvv h PHE 66 Cb -0.03 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 2kvv h PHE 66 CO -0.02 0.37 0.58 0.82 -2.23 0.00 0.00 178.31 177.83 2kvv h ILE 67 N 0.39 0.93 -0.24 1.41 2.04 -0.22 0.26 117.51 122.07 2kvv h ILE 67 Ca 0.09 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2kvv h ILE 67 Cb 0.19 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2kvv h ILE 67 CO -0.00 0.15 0.04 -0.09 0.00 0.00 0.00 178.15 178.25 2kvv h ARG 68 N 0.85 0.35 0.24 2.37 9.65 -1.29 0.14 114.38 126.69 2kvv h ARG 68 Ca 0.43 -0.05 -0.32 0.00 -1.10 0.00 0.00 59.98 58.94 2kvv h ARG 68 Cb 0.49 -0.06 0.04 0.00 -1.39 0.00 0.00 29.97 29.04 2kvv h ARG 68 CO -0.19 0.35 -1.39 0.22 2.80 0.00 0.00 179.97 181.75 2kvv h ASP 69 N 0.35 0.81 0.92 -3.80 3.58 -0.82 -3.20 116.42 114.26 2kvv h ASP 69 Ca 0.08 -0.92 -0.03 0.00 0.42 0.00 0.00 57.03 56.58 2kvv h ASP 69 Cb 0.17 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2kvv h ASP 69 CO -0.00 1.67 -0.14 -1.28 -2.88 0.00 0.00 179.24 176.61 2kvv h SER 70 N 0.08 0.00 -0.65 2.28 0.87 -0.42 -2.63 113.55 113.07 2kvv h SER 70 Ca -0.24 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 2kvv h SER 70 Cb 2.10 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.03 2kvv h SER 70 CO 0.26 0.14 0.23 0.25 -0.53 0.00 0.00 176.83 177.18 2kvv h LEU 71 N 0.00 0.93 -9.78 2.23 7.12 -0.75 -3.43 115.31 111.64 2kvv h LEU 71 Ca -0.00 -0.19 -0.51 0.00 0.13 0.00 0.00 57.88 57.31 2kvv h LEU 71 Cb 0.64 -0.24 0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2kvv h LEU 71 CO 0.02 0.87 0.50 -0.70 -0.13 0.00 0.00 178.44 179.00 2kvv s GLU 72 N -5.47 4.60 -0.17 1.25 -6.30 -0.99 -5.04 118.70 106.57 2kvv s GLU 72 Ca -0.13 1.83 -0.00 0.00 -2.50 0.00 0.00 54.97 54.18 2kvv s GLU 72 Cb 0.14 -3.20 0.04 0.00 0.00 0.00 0.00 34.13 31.11 2kvv s GLU 72 CO 0.82 0.13 -0.07 -1.01 0.02 0.00 0.00 175.26 175.15 2kvv s HIS 73 N -0.92 1.91 -0.04 5.30 3.76 -1.26 -4.95 115.29 119.09 2kvv s HIS 73 Ca 0.46 -1.22 0.09 0.00 -0.15 0.00 0.00 55.06 54.24 2kvv s HIS 73 Cb -0.32 -1.41 0.15 0.00 1.11 0.00 0.00 32.58 32.11 2kvv s HIS 73 CO 0.41 -0.65 1.07 0.72 -0.85 0.00 0.00 174.74 175.44 2kvv n HIS 74 N 4.82 0.00 -3.15 1.40 8.25 -1.26 -5.00 115.22 120.28 2kvv n HIS 74 Ca -0.13 -0.39 0.04 0.00 -0.26 0.00 0.00 57.72 56.98 2kvv n HIS 74 Cb 0.47 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 2kvv n HIS 74 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kvv s HIS 75 N -0.85 -1.76 -2.17 4.41 -3.43 -1.26 -5.03 115.29 105.19 2kvv s HIS 75 Ca 0.14 1.19 0.29 0.00 -0.80 0.00 0.00 55.06 55.88 2kvv s HIS 75 Cb 0.14 0.36 1.18 0.00 -1.43 0.00 0.00 32.58 32.84 2kvv s HIS 75 CO -0.02 -1.02 1.82 1.58 -2.00 0.00 0.00 174.74 175.10 2kvv n HIS 76 N 5.41 0.00 0.06 0.38 -0.00 -1.26 -4.46 115.22 115.34 2kvv n HIS 76 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2kvv n HIS 76 Cb 0.54 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2kvv n HIS 76 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kvv n HIS 77 N -0.33 -0.46 -1.00 1.57 8.25 -1.26 -5.30 115.22 116.68 2kvv n HIS 77 Ca 0.18 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2kvv n HIS 77 Cb 0.30 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2kvv n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56