#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 2.13 0.11 3.04 0.00 -1.26 -4.97 121.76 120.81 2kvv s ALA 2 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 51.96 49.94 2kvv s ALA 2 Cb 0.00 -4.53 -0.07 0.00 0.00 0.00 0.00 23.12 18.52 2kvv s ALA 2 CO 0.00 -4.26 0.75 -0.65 0.00 0.00 0.00 175.76 171.60 2kvv s GLN 3 N 6.16 4.50 -1.15 0.00 -0.21 -1.26 -4.97 119.66 122.72 2kvv s GLN 3 Ca 0.59 1.07 -0.22 0.00 0.02 0.00 0.00 55.36 56.82 2kvv s GLN 3 Cb -0.04 -3.30 -0.09 0.00 1.00 0.00 0.00 33.01 30.58 2kvv s GLN 3 CO -0.03 0.46 1.92 -0.89 -2.12 0.00 0.00 175.29 174.63 2kvv n ILE 4 N 2.09 2.04 -3.46 1.08 2.08 -1.26 -4.77 119.36 117.16 2kvv n ILE 4 Ca -0.05 -2.09 -0.28 0.00 0.56 0.00 0.00 62.75 60.89 2kvv n ILE 4 Cb 0.49 -2.20 -0.12 0.00 -0.75 0.00 0.00 39.64 37.07 2kvv n ILE 4 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2kvv s ILE 5 N 10.02 0.11 -0.30 1.39 1.01 -1.26 -5.10 121.20 127.07 2kvv s ILE 5 Ca 0.66 -1.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 2kvv s ILE 5 Cb 0.01 -1.09 0.18 0.00 0.01 0.00 0.00 42.46 41.57 2kvv s ILE 5 CO 0.13 -0.97 1.11 0.12 0.00 0.00 0.00 174.94 175.34 2kvv s PHE 6 N 1.11 -0.35 -0.25 3.97 5.36 -1.26 -5.16 117.98 121.40 2kvv s PHE 6 Ca 0.18 0.67 -0.05 0.00 -0.96 0.00 0.00 56.93 56.76 2kvv s PHE 6 Cb -0.23 0.21 0.13 0.00 -0.34 0.00 0.00 43.02 42.79 2kvv s PHE 6 CO 0.00 -0.17 0.49 0.54 -1.46 0.00 0.00 175.22 174.62 2kvv s ASN 7 N 1.43 -0.54 -0.58 6.13 4.22 -1.26 -5.12 114.94 119.22 2kvv s ASN 7 Ca -0.07 0.92 -0.18 0.00 -2.14 0.00 0.00 52.86 51.38 2kvv s ASN 7 Cb -0.03 1.66 0.11 0.00 1.28 0.00 0.00 41.25 44.27 2kvv s ASN 7 CO -0.13 -0.25 0.65 -1.61 -2.04 0.00 0.00 177.10 173.72 2kvv s GLU 8 N 2.71 3.03 -0.99 3.55 2.02 -1.26 -5.01 118.70 122.75 2kvv s GLU 8 Ca 0.05 -1.43 -0.18 0.00 0.02 0.00 0.00 54.97 53.43 2kvv s GLU 8 Cb -0.13 -4.28 0.13 0.00 0.10 0.00 0.00 34.13 29.95 2kvv s GLU 8 CO -0.16 -1.49 1.21 -1.21 0.02 0.00 0.00 175.26 173.63 2kvv s GLU 9 N 2.39 3.69 -0.13 1.61 0.41 -1.26 -5.01 118.70 120.41 2kvv s GLU 9 Ca 0.09 -1.87 -0.13 0.00 -0.41 0.00 0.00 54.97 52.65 2kvv s GLU 9 Cb -0.26 -4.98 -0.05 0.00 -1.78 0.00 0.00 34.13 27.06 2kvv s GLU 9 CO 0.05 -1.81 0.30 -1.58 -0.49 0.00 0.00 175.26 171.73 2kvv s TRP 10 N 2.66 3.52 0.04 1.61 0.52 -1.26 -1.69 118.94 124.34 2kvv s TRP 10 Ca 0.36 0.65 -0.10 0.00 0.02 0.00 0.00 56.10 57.03 2kvv s TRP 10 Cb -0.04 -2.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.00 2kvv s TRP 10 CO -0.08 0.36 0.22 0.00 0.02 0.00 0.00 176.95 177.47 2kvv s MET 11 N 0.05 0.71 0.93 4.98 0.23 -0.99 -4.92 119.30 120.29 2kvv s MET 11 Ca 0.18 -0.58 -0.13 0.00 -1.03 0.00 0.00 55.69 54.12 2kvv s MET 11 Cb -0.13 0.30 0.15 0.00 -1.53 0.00 0.00 34.83 33.61 2kvv s MET 11 CO 0.05 -0.21 1.15 0.14 -2.03 0.00 0.00 175.02 174.13 2kvv s VAL 12 N -2.47 1.97 0.12 5.16 -7.23 -1.26 -1.50 120.40 115.18 2kvv s VAL 12 Ca -0.06 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 2kvv s VAL 12 Cb -0.01 -2.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 2kvv s VAL 12 CO -0.03 0.00 1.59 -0.08 -0.31 0.00 0.00 175.10 176.27 2kvv h GLU 13 N -1.57 -0.55 -0.45 4.82 4.81 -2.00 0.16 114.58 119.79 2kvv h GLU 13 Ca -0.49 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 2kvv h GLU 13 Cb 1.32 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.75 2kvv h GLU 13 CO 0.58 -0.37 0.02 -0.22 -0.73 0.00 0.00 179.01 178.29 2kvv h LYS 14 N -0.57 0.13 -0.59 1.92 3.11 -2.00 -1.42 116.57 117.15 2kvv h LYS 14 Ca 0.05 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.83 2kvv h LYS 14 Cb 0.65 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.82 2kvv h LYS 14 CO -0.31 0.09 0.20 0.00 -2.81 0.00 0.00 179.45 176.62 2kvv h ALA 15 N 1.39 0.78 0.17 5.00 0.00 -1.82 -2.97 119.26 121.80 2kvv h ALA 15 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kvv h ALA 15 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kvv h ALA 15 CO -0.35 0.43 -0.09 1.25 0.00 0.00 0.00 179.25 180.49 2kvv h LEU 16 N 0.84 -0.23 -1.06 0.00 7.12 -0.08 0.07 115.31 121.96 2kvv h LEU 16 Ca 0.19 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.24 2kvv h LEU 16 Cb 0.27 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.42 2kvv h LEU 16 CO -0.01 -0.16 0.63 0.00 -0.13 0.00 0.00 178.44 178.78 2kvv h MET 17 N -0.25 1.23 -0.21 1.25 -0.00 -1.28 0.21 114.93 115.87 2kvv h MET 17 Ca -0.02 -0.07 -0.14 0.00 -0.00 0.00 0.00 59.70 59.47 2kvv h MET 17 Cb 0.20 -0.28 0.00 0.00 -0.00 0.00 0.00 31.60 31.53 2kvv h MET 17 CO 0.02 0.81 -0.41 0.28 -0.00 0.00 0.00 176.91 177.62 2kvv h VAL 18 N 1.26 1.32 -0.35 -0.10 2.07 -1.35 0.22 116.25 119.31 2kvv h VAL 18 Ca 0.36 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 2kvv h VAL 18 Cb -0.09 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2kvv h VAL 18 CO -0.09 0.51 -0.09 0.03 0.02 0.00 0.00 177.57 177.95 2kvv h ARG 19 N 0.34 0.59 0.00 1.57 2.47 -0.59 -3.26 114.38 115.50 2kvv h ARG 19 Ca 0.01 -0.17 -0.32 0.00 -1.26 0.00 0.00 59.98 58.24 2kvv h ARG 19 Cb 1.01 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.21 2kvv h ARG 19 CO 0.09 0.68 -1.94 0.25 0.56 0.00 0.00 179.97 179.61 2kvv n THR 20 N -4.20 1.54 -0.04 2.04 -2.24 0.03 -4.99 114.28 106.41 2kvv n THR 20 Ca 0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2kvv n THR 20 Cb 0.32 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 1.63 0.98 3.98 3.38 0.00 0.63 -5.08 105.19 110.72 2kvv n GLY 21 Ca -0.23 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 3.17 0.22 0.99 1.02 -0.47 -5.00 118.68 118.60 2kvv s LEU 22 Ca 0.00 -0.19 0.06 0.00 0.02 0.00 0.00 54.13 54.01 2kvv s LEU 22 Cb 0.00 -2.49 -0.05 0.00 0.02 0.00 0.00 46.19 43.68 2kvv s LEU 22 CO 0.00 -1.39 -0.09 -0.83 0.02 0.00 0.00 176.35 174.06 2kvv s GLY 23 N -4.54 1.48 0.23 -3.19 0.00 -1.26 -4.39 107.32 95.64 2kvv s GLY 23 Ca 0.61 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 43.56 2kvv s GLY 23 CO 0.40 -1.73 1.72 0.00 0.00 0.00 0.00 173.10 173.49 2kvv h ALA 24 N 2.52 0.94 0.00 3.20 0.00 -1.97 0.73 119.26 124.68 2kvv h ALA 24 Ca -0.38 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kvv h ALA 24 Cb 1.22 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kvv h ALA 24 CO 0.64 -0.26 -0.03 0.07 0.00 0.00 0.00 179.25 179.68 2kvv h ARG 25 N 0.37 0.00 0.09 0.00 0.11 -2.00 -0.17 114.38 112.78 2kvv h ARG 25 Ca 0.39 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.24 2kvv h ARG 25 Cb 0.59 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 2kvv h ARG 25 CO -0.42 0.03 -1.17 0.37 0.10 0.00 0.00 179.97 178.88 2kvv h GLN 26 N 0.00 0.20 -0.72 0.08 4.15 -1.38 -3.37 115.11 114.07 2kvv h GLN 26 Ca -0.00 -0.34 -0.06 0.00 0.77 0.00 0.00 58.65 59.02 2kvv h GLN 26 Cb 0.05 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2kvv h GLN 26 CO 0.00 1.16 0.22 0.82 -1.93 0.00 0.00 178.83 179.10 2kvv h ILE 27 N -0.46 1.26 -0.57 2.39 2.04 -0.66 -2.86 117.51 118.65 2kvv h ILE 27 Ca -0.25 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 64.75 2kvv h ILE 27 Cb 1.62 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2kvv h ILE 27 CO 0.04 0.36 0.38 1.05 0.00 0.00 0.00 178.15 179.97 2kvv h GLU 28 N 1.08 0.51 -0.58 2.37 4.11 -1.21 -0.66 114.58 120.20 2kvv h GLU 28 Ca 0.23 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.58 2kvv h GLU 28 Cb 0.32 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2kvv h GLU 28 CO -0.01 0.34 0.16 1.03 0.07 0.00 0.00 179.01 180.60 2kvv h SER 29 N 0.53 0.87 -0.09 3.06 0.87 -1.66 -2.72 113.55 114.41 2kvv h SER 29 Ca 0.25 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2kvv h SER 29 Cb 0.30 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2kvv h SER 29 CO -0.07 0.86 -0.10 1.88 -0.53 0.00 0.00 176.83 178.88 2kvv h TYR 30 N 0.83 0.42 0.00 2.24 0.05 -1.15 -2.00 116.97 117.36 2kvv h TYR 30 Ca 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2kvv h TYR 30 Cb 0.33 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2kvv h TYR 30 CO 0.02 0.50 -0.08 0.00 -1.05 0.00 0.00 178.16 177.55 2kvv h ARG 31 N 0.38 0.00 -0.34 4.88 3.08 -0.96 0.29 114.38 121.71 2kvv h ARG 31 Ca 0.08 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 2kvv h ARG 31 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2kvv h ARG 31 CO 0.02 0.08 -0.24 1.96 -1.07 0.00 0.00 179.97 180.72 2kvv h GLN 32 N 0.00 0.67 0.00 0.04 1.08 -1.21 -3.41 115.11 112.29 2kvv h GLN 32 Ca -0.00 -0.27 -0.12 0.00 -1.45 0.00 0.00 58.65 56.81 2kvv h GLN 32 Cb 0.19 -0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 27.47 2kvv h GLN 32 CO 0.01 0.85 -0.22 0.41 -0.95 0.00 0.00 178.83 178.93 2kvv n GLY 33 N -0.28 0.95 0.00 3.46 0.00 -1.11 -4.95 105.19 103.26 2kvv n GLY 33 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2kvv n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvv n ALA 34 N -0.72 0.28 -2.58 4.61 0.00 0.98 -5.06 120.51 118.02 2kvv n ALA 34 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 2kvv n ALA 34 Cb 0.72 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 2kvv n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2kvv s TRP 35 N -0.23 2.99 -0.15 0.00 0.23 -0.88 -4.93 118.94 115.96 2kvv s TRP 35 Ca 0.00 0.53 -0.03 0.00 -2.03 0.00 0.00 56.10 54.56 2kvv s TRP 35 Cb 0.00 -3.80 -0.02 0.00 0.03 0.00 0.00 33.47 29.67 2kvv s TRP 35 CO 0.00 -0.97 -0.05 0.42 0.96 0.00 0.00 176.95 177.31 2kvv s ILE 36 N 3.59 3.75 0.27 2.03 1.01 -1.26 -4.99 121.20 125.60 2kvv s ILE 36 Ca 0.37 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2kvv s ILE 36 Cb -0.11 -2.64 -0.10 0.00 0.01 0.00 0.00 42.46 39.63 2kvv s ILE 36 CO 0.23 0.50 1.28 -1.83 0.00 0.00 0.00 174.94 175.11 2kvv s GLU 37 N 0.39 4.42 0.00 2.79 -1.05 -1.26 -0.77 118.70 123.21 2kvv s GLU 37 Ca -0.05 2.09 0.00 0.00 -0.15 0.00 0.00 54.97 56.86 2kvv s GLU 37 Cb -0.14 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2kvv s GLU 37 CO 0.03 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.50 2kvv n GLY 38 N 1.51 2.25 0.04 -3.83 0.00 0.13 -4.77 105.19 100.52 2kvv n GLY 38 Ca 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 0.06 1.61 2.07 -1.94 -3.45 116.25 114.60 2kvv h VAL 39 Ca 0.00 -0.55 -0.36 0.00 0.82 0.00 0.00 66.70 66.61 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 -2.15 1.41 0.02 0.00 0.00 177.57 176.85 2kvv n HIS 40 N -3.55 0.71 -4.21 1.57 8.25 0.05 -4.83 115.22 113.20 2kvv n HIS 40 Ca -0.04 0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.44 2kvv n HIS 40 Cb 0.13 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.06 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 -2.55 1.40 -0.08 4.41 -0.71 -1.08 -1.16 117.98 118.22 2kvv s PHE 41 Ca -0.23 -1.47 -0.04 0.00 -1.04 0.00 0.00 56.93 54.14 2kvv s PHE 41 Cb 0.07 -0.53 0.03 0.00 -1.21 0.00 0.00 43.02 41.39 2kvv s PHE 41 CO 0.73 -0.84 0.18 -1.59 -1.34 0.00 0.00 175.22 172.36 2kvv s LYS 42 N -3.65 0.16 -0.66 1.99 -2.85 -0.58 0.18 119.74 114.33 2kvv s LYS 42 Ca 0.38 0.38 -0.27 0.00 -1.00 0.00 0.00 55.97 55.46 2kvv s LYS 42 Cb 0.03 -0.08 0.03 0.00 -2.06 0.00 0.00 37.83 35.76 2kvv s LYS 42 CO 0.21 -0.12 1.21 -0.98 0.10 0.00 0.00 175.35 175.77 2kvv s ARG 43 N 0.87 3.32 -0.16 1.78 1.70 -1.26 -1.94 118.95 123.25 2kvv s ARG 43 Ca -0.06 -0.08 -0.22 0.00 -0.47 0.00 0.00 55.73 54.90 2kvv s ARG 43 Cb -0.08 -4.11 -0.03 0.00 -0.57 0.00 0.00 34.95 30.16 2kvv s ARG 43 CO -0.05 -1.92 0.65 0.08 -1.08 0.00 0.00 175.30 172.99 2kvv s VAL 44 N 5.26 5.03 -0.10 4.99 1.01 0.99 -4.73 120.40 132.84 2kvv s VAL 44 Ca 0.37 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 63.35 2kvv s VAL 44 Cb -0.08 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2kvv s VAL 44 CO 0.19 0.15 0.88 -0.44 0.00 0.00 0.00 175.10 175.88 2kvv s SER 45 N 1.06 7.11 0.65 3.32 0.01 -1.26 -0.77 113.70 123.82 2kvv s SER 45 Ca 0.31 1.36 0.39 0.00 1.31 0.00 0.00 55.95 59.32 2kvv s SER 45 Cb -0.16 -2.50 2.15 0.00 0.21 0.00 0.00 66.02 65.73 2kvv s SER 45 CO 0.12 -0.34 2.27 1.55 0.41 0.00 0.00 173.24 177.26 2kvv h PRO 46 N 7.07 0.00 -3.24 12.44 0.13 -1.96 -3.36 132.00 143.08 2kvv h PRO 46 Ca -0.34 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.28 2kvv h PRO 46 Cb 1.16 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 2kvv h PRO 46 CO 0.81 0.00 -0.76 0.45 -0.23 0.00 0.00 178.00 178.27 2kvv s SER 47 N -5.33 3.11 1.79 1.44 0.15 -1.26 -5.07 113.70 108.53 2kvv s SER 47 Ca -0.05 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2kvv s SER 47 Cb 0.13 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2kvv s SER 47 CO 0.43 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2kvv n GLY 48 N 5.12 1.41 3.28 9.45 0.00 -1.26 -4.68 105.19 118.52 2kvv n GLY 48 Ca -0.07 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 2kvv n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kvv s GLU 49 N 0.00 1.26 -1.22 1.61 -1.05 -1.26 -4.53 118.70 113.50 2kvv s GLU 49 Ca 0.00 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.28 2kvv s GLU 49 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2kvv s GLU 49 CO 0.00 -0.44 0.00 1.63 0.95 0.00 0.00 175.26 177.40 2kvv n LYS 50 N -0.28 -1.88 -1.38 -4.83 5.02 -1.26 -4.94 118.16 108.60 2kvv n LYS 50 Ca 0.01 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 2kvv n LYS 50 Cb 0.65 -5.17 0.08 0.00 -0.02 0.00 0.00 35.03 30.57 2kvv n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2kvv s THR 51 N -2.48 3.48 -0.85 -0.18 2.01 -1.26 -4.92 115.64 111.44 2kvv s THR 51 Ca 0.00 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.50 2kvv s THR 51 Cb 0.00 -3.07 0.09 0.00 0.01 0.00 0.00 72.50 69.53 2kvv s THR 51 CO 0.00 -0.63 0.67 0.18 -0.69 0.00 0.00 174.62 174.15 2kvv n LEU 52 N -3.42 1.67 -3.44 4.42 7.99 -1.26 -4.30 117.00 118.65 2kvv n LEU 52 Ca 0.08 -0.84 -0.27 0.00 -0.01 0.00 0.00 56.01 54.97 2kvv n LEU 52 Cb 0.54 -0.52 -0.10 0.00 -0.11 0.00 0.00 43.42 43.22 2kvv n LEU 52 CO 0.55 0.31 -0.28 0.54 -1.51 0.00 0.00 177.39 177.00 2kvv n ARG 53 N 0.09 0.41 -2.34 3.23 5.12 -1.26 -5.06 116.66 116.84 2kvv n ARG 53 Ca 0.03 -3.34 -0.36 0.00 -1.93 0.00 0.00 57.85 52.26 2kvv n ARG 53 Cb 0.38 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 2kvv n ARG 53 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2kvv s GLY 54 N -0.19 0.92 -0.26 -0.13 0.00 -1.26 -4.25 107.32 102.15 2kvv s GLY 54 Ca 0.32 -2.40 -0.29 0.00 0.00 0.00 0.00 44.72 42.36 2kvv s GLY 54 CO -0.19 3.09 1.63 -1.59 0.00 0.00 0.00 173.10 176.04 2kvv s THR 55 N 7.30 3.67 -0.34 0.90 2.01 0.05 -4.54 115.64 124.69 2kvv s THR 55 Ca 0.59 0.74 -0.24 0.00 0.31 0.00 0.00 61.69 63.09 2kvv s THR 55 Cb 0.01 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.78 2kvv s THR 55 CO 0.06 -0.36 0.82 -0.89 -0.69 0.00 0.00 174.62 173.56 2kvv s THR 56 N 5.55 4.73 -0.09 -0.82 2.01 -1.26 -0.01 115.64 125.76 2kvv s THR 56 Ca 0.72 1.11 -0.03 0.00 0.31 0.00 0.00 61.69 63.81 2kvv s THR 56 Cb -0.23 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2kvv s THR 56 CO 0.30 -0.37 0.04 0.26 -0.69 0.00 0.00 174.62 174.16 2kvv s TRP 57 N 3.12 3.27 -0.01 4.92 0.52 -0.82 -4.62 118.94 125.32 2kvv s TRP 57 Ca 0.34 0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.73 2kvv s TRP 57 Cb -0.13 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 2kvv s TRP 57 CO 0.15 0.54 0.03 0.71 0.02 0.00 0.00 176.95 178.40 2kvv s TYR 58 N -0.94 3.16 -0.43 -1.98 2.02 -0.56 -1.52 117.35 117.09 2kvv s TYR 58 Ca 0.14 0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 56.71 2kvv s TYR 58 Cb -0.12 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2kvv s TYR 58 CO 0.04 0.50 1.03 -0.80 -1.57 0.00 0.00 175.55 174.75 2kvv s ASN 59 N -1.60 6.65 0.12 2.29 0.01 -0.30 -2.35 114.94 119.75 2kvv s ASN 59 Ca 0.21 0.48 -0.25 0.00 -0.71 0.00 0.00 52.86 52.59 2kvv s ASN 59 Cb -0.12 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 2kvv s ASN 59 CO 0.11 -1.07 1.65 0.22 -1.51 0.00 0.00 177.10 176.50 2kvv h TYR 60 N 8.89 -0.58 0.00 2.20 3.20 -1.66 -2.21 116.97 126.82 2kvv h TYR 60 Ca -0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 2kvv h TYR 60 Cb 1.07 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2kvv h TYR 60 CO 0.90 -0.30 -0.01 -1.00 -1.64 0.00 0.00 178.16 176.11 2kvv h PRO 61 N -0.35 0.00 0.17 1.82 0.13 -1.93 -1.39 132.00 130.45 2kvv h PRO 61 Ca 0.06 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.86 2kvv h PRO 61 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.57 2kvv h PRO 61 CO -0.20 0.01 -1.57 0.93 -0.23 0.00 0.00 178.00 176.94 2kvv h GLU 62 N 0.00 0.37 -0.24 0.86 4.39 -1.84 -2.37 114.58 115.75 2kvv h GLU 62 Ca -0.00 -0.63 -0.12 0.00 0.34 0.00 0.00 59.36 58.95 2kvv h GLU 62 Cb 0.36 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2kvv h GLU 62 CO 0.00 1.27 -0.33 0.82 -1.16 0.00 0.00 179.01 179.61 2kvv h ILE 63 N 0.10 1.32 -0.89 3.13 2.04 -1.17 -1.57 117.51 120.46 2kvv h ILE 63 Ca -0.27 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.15 2kvv h ILE 63 Cb 2.08 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 39.83 2kvv h ILE 63 CO 0.20 0.48 0.58 0.78 0.00 0.00 0.00 178.15 180.19 2kvv h ASN 64 N 0.35 0.82 -0.07 1.72 4.21 -1.38 0.15 115.58 121.39 2kvv h ASN 64 Ca 0.03 0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.56 2kvv h ASN 64 Cb 0.92 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.96 2kvv h ASN 64 CO 0.08 0.49 0.02 0.50 -1.29 0.00 0.00 177.43 177.23 2kvv h LYS 65 N 0.91 0.05 -0.83 0.81 3.64 -1.19 -0.55 116.57 119.41 2kvv h LYS 65 Ca 0.41 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.82 2kvv h LYS 65 Cb 0.37 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 2kvv h LYS 65 CO -0.17 0.03 0.54 0.35 -2.27 0.00 0.00 179.45 177.93 2kvv h PHE 66 N 0.05 1.01 0.35 1.91 3.57 -0.44 0.41 116.94 123.79 2kvv h PHE 66 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kvv h PHE 66 Cb 0.02 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2kvv h PHE 66 CO -0.10 0.58 -0.17 0.82 -2.23 0.00 0.00 178.31 177.22 2kvv h ILE 67 N 1.05 0.67 0.00 1.41 2.04 -0.80 -0.32 117.51 121.56 2kvv h ILE 67 Ca 0.33 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 2kvv h ILE 67 Cb -0.00 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2kvv h ILE 67 CO -0.11 0.04 -0.28 0.03 0.00 0.00 0.00 178.15 177.83 2kvv h ARG 68 N -0.57 0.00 -0.42 2.37 3.08 -0.90 -0.16 114.38 117.78 2kvv h ARG 68 Ca -0.05 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2kvv h ARG 68 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2kvv h ARG 68 CO 0.08 0.28 -0.20 0.22 -1.07 0.00 0.00 179.97 179.28 2kvv h ASP 69 N 0.00 0.89 0.37 7.04 3.58 -0.03 0.15 116.42 128.43 2kvv h ASP 69 Ca -0.00 -0.40 -0.13 0.00 0.42 0.00 0.00 57.03 56.92 2kvv h ASP 69 Cb 0.56 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2kvv h ASP 69 CO 0.04 1.10 -0.54 0.28 -2.88 0.00 0.00 179.24 177.23 2kvv h SER 70 N 0.69 0.20 0.00 2.28 0.02 -0.61 -3.35 113.55 112.78 2kvv h SER 70 Ca 0.09 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kvv h SER 70 Cb 0.76 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 2kvv h SER 70 CO 0.06 0.71 -0.04 0.25 -1.14 0.00 0.00 176.83 176.67 2kvv h LEU 71 N 0.14 0.00 0.00 5.07 5.85 -0.91 -3.47 115.31 121.99 2kvv h LEU 71 Ca 0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2kvv h LEU 71 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2kvv h LEU 71 CO 0.08 0.70 0.00 -0.62 -0.34 0.00 0.00 178.44 178.26 2kvv n GLU 72 N -4.71 0.00 -1.63 1.25 1.02 0.52 -4.95 120.64 112.14 2kvv n GLU 72 Ca -0.04 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.63 2kvv n GLU 72 Cb 0.19 -0.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.99 2kvv n GLU 72 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kvv n HIS 73 N 0.00 1.84 -1.02 -0.32 -0.00 -1.26 -1.85 115.22 112.61 2kvv n HIS 73 Ca 0.00 0.51 -0.01 0.00 0.46 0.00 0.00 57.72 58.68 2kvv n HIS 73 Cb 0.00 -2.40 -0.00 0.00 -0.12 0.00 0.00 29.99 27.46 2kvv n HIS 73 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kvv n HIS 74 N 2.07 0.00 -2.54 1.57 -0.00 -1.26 -4.98 115.22 110.09 2kvv n HIS 74 Ca 0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.46 2kvv n HIS 74 Cb 0.28 -0.42 -0.03 0.00 -0.00 0.00 0.00 29.99 29.82 2kvv n HIS 74 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kvv s HIS 75 N -1.92 2.52 -0.02 1.57 4.02 -0.77 -4.99 115.29 115.70 2kvv s HIS 75 Ca 0.00 -0.85 -0.30 0.00 1.02 0.00 0.00 55.06 54.93 2kvv s HIS 75 Cb 0.00 -4.67 -0.03 0.00 -1.02 0.00 0.00 32.58 26.85 2kvv s HIS 75 CO 0.00 -1.91 1.08 -1.58 1.02 0.00 0.00 174.74 173.35 2kvv s HIS 76 N 5.17 3.49 0.08 1.40 2.46 -1.26 -5.04 115.29 121.59 2kvv s HIS 76 Ca 0.48 1.49 0.05 0.00 0.47 0.00 0.00 55.06 57.56 2kvv s HIS 76 Cb 0.00 -3.26 -0.04 0.00 -0.13 0.00 0.00 32.58 29.15 2kvv s HIS 76 CO -0.07 -0.60 -0.04 -1.58 -2.47 0.00 0.00 174.74 169.98 2kvv s HIS 77 N 1.44 2.91 -1.84 3.88 5.04 -1.26 -5.29 115.29 120.17 2kvv s HIS 77 Ca 0.54 -0.06 0.15 0.00 -1.54 0.00 0.00 55.06 54.14 2kvv s HIS 77 Cb -0.23 -1.52 0.12 0.00 0.04 0.00 0.00 32.58 30.98 2kvv s HIS 77 CO 0.25 0.45 0.97 -2.39 -2.34 0.00 0.00 174.74 171.68