#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 3.87 -0.09 -5.12 0.00 -1.26 -5.12 121.76 114.04 2kvv s ALA 2 Ca 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 2kvv s ALA 2 Cb 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 23.12 21.33 2kvv s ALA 2 CO 0.00 0.18 0.17 1.14 0.00 0.00 0.00 175.76 177.26 2kvv s GLN 3 N -4.03 0.06 -0.26 0.00 -2.07 -1.26 -5.14 119.66 106.97 2kvv s GLN 3 Ca 0.36 0.54 -0.18 0.00 -1.82 0.00 0.00 55.36 54.26 2kvv s GLN 3 Cb -0.09 -0.22 -0.03 0.00 -1.09 0.00 0.00 33.01 31.58 2kvv s GLN 3 CO 0.31 -0.27 0.53 0.42 -1.32 0.00 0.00 175.29 174.95 2kvv s ILE 4 N 2.06 5.06 -0.44 3.63 -1.09 -1.26 -5.05 121.20 124.11 2kvv s ILE 4 Ca 0.00 0.90 -0.13 0.00 -2.23 0.00 0.00 60.65 59.19 2kvv s ILE 4 Cb -0.12 -3.84 0.06 0.00 -1.58 0.00 0.00 42.46 36.99 2kvv s ILE 4 CO -0.06 0.08 0.32 -0.63 -1.23 0.00 0.00 174.94 173.42 2kvv s ILE 5 N 2.33 4.87 -0.29 2.92 1.09 -1.26 -5.00 121.20 125.86 2kvv s ILE 5 Ca 0.22 -1.10 -0.00 0.00 -1.10 0.00 0.00 60.65 58.67 2kvv s ILE 5 Cb -0.16 -3.88 0.19 0.00 -1.06 0.00 0.00 42.46 37.55 2kvv s ILE 5 CO 0.09 -0.49 0.70 0.12 -0.10 0.00 0.00 174.94 175.26 2kvv s PHE 6 N 1.57 -1.47 -0.31 3.97 5.36 -1.26 -5.13 117.98 120.70 2kvv s PHE 6 Ca 0.04 1.08 -0.03 0.00 -0.96 0.00 0.00 56.93 57.06 2kvv s PHE 6 Cb -0.23 0.34 0.19 0.00 -0.34 0.00 0.00 43.02 42.98 2kvv s PHE 6 CO 0.06 -0.84 0.83 1.21 -1.46 0.00 0.00 175.22 175.02 2kvv s ASN 7 N 2.87 -0.98 -0.05 6.13 2.47 -1.26 -5.14 114.94 118.97 2kvv s ASN 7 Ca 0.15 -0.03 0.03 0.00 0.42 0.00 0.00 52.86 53.43 2kvv s ASN 7 Cb -0.10 1.52 0.00 0.00 -1.45 0.00 0.00 41.25 41.23 2kvv s ASN 7 CO -0.23 -0.16 -0.14 -1.83 -3.72 0.00 0.00 177.10 171.01 2kvv s GLU 8 N 2.66 1.70 -0.56 0.43 1.03 -1.26 -5.06 118.70 117.64 2kvv s GLU 8 Ca 0.18 -0.50 -0.25 0.00 0.03 0.00 0.00 54.97 54.43 2kvv s GLU 8 Cb -0.04 -1.44 0.04 0.00 -0.80 0.00 0.00 34.13 31.88 2kvv s GLU 8 CO -0.21 0.13 1.00 -1.21 -1.33 0.00 0.00 175.26 173.64 2kvv s GLU 9 N 0.34 3.37 0.03 -4.83 0.41 -1.26 -5.01 118.70 111.75 2kvv s GLU 9 Ca -0.09 -0.15 -0.21 0.00 -0.41 0.00 0.00 54.97 54.11 2kvv s GLU 9 Cb -0.13 -4.05 -0.06 0.00 -1.78 0.00 0.00 34.13 28.11 2kvv s GLU 9 CO 0.03 -1.54 0.60 -1.58 -0.49 0.00 0.00 175.26 172.28 2kvv s TRP 10 N 4.19 3.73 0.03 1.61 0.52 -1.26 -0.71 118.94 127.05 2kvv s TRP 10 Ca 0.33 1.25 -0.25 0.00 0.02 0.00 0.00 56.10 57.45 2kvv s TRP 10 Cb -0.11 -2.59 0.06 0.00 -1.15 0.00 0.00 33.47 29.68 2kvv s TRP 10 CO 0.20 0.43 0.58 0.00 0.02 0.00 0.00 176.95 178.18 2kvv s MET 11 N -0.50 1.06 0.85 4.98 0.23 -0.93 -4.96 119.30 120.03 2kvv s MET 11 Ca 0.31 -0.08 -0.11 0.00 -1.03 0.00 0.00 55.69 54.77 2kvv s MET 11 Cb -0.19 0.49 0.14 0.00 -1.53 0.00 0.00 34.83 33.74 2kvv s MET 11 CO 0.18 -0.38 1.19 0.14 -2.03 0.00 0.00 175.02 174.13 2kvv s VAL 12 N -2.12 2.07 0.09 5.16 -7.23 -1.26 -0.87 120.40 116.24 2kvv s VAL 12 Ca -0.07 -0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 2kvv s VAL 12 Cb -0.01 -2.93 -0.14 0.00 0.56 0.00 0.00 36.38 33.86 2kvv s VAL 12 CO 0.01 0.00 1.72 -0.08 -0.31 0.00 0.00 175.10 176.45 2kvv h GLU 13 N -1.18 -0.08 -0.77 4.82 4.81 -1.99 0.41 114.58 120.60 2kvv h GLU 13 Ca -0.44 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2kvv h GLU 13 Cb 1.27 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 2kvv h GLU 13 CO 0.48 -0.06 0.44 -0.22 -0.73 0.00 0.00 179.01 178.92 2kvv h LYS 14 N -0.09 1.05 -0.33 1.92 3.11 -1.99 -1.88 116.57 118.35 2kvv h LYS 14 Ca 0.01 -0.10 -0.16 0.00 -2.81 0.00 0.00 60.65 57.58 2kvv h LYS 14 Cb 0.09 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 2kvv h LYS 14 CO -0.02 0.75 -0.44 0.00 -2.81 0.00 0.00 179.45 176.94 2kvv h ALA 15 N 1.43 0.60 -0.27 5.00 0.00 -1.84 -3.20 119.26 120.98 2kvv h ALA 15 Ca 0.27 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kvv h ALA 15 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kvv h ALA 15 CO -0.05 0.68 0.14 1.25 0.00 0.00 0.00 179.25 181.27 2kvv h LEU 16 N 0.68 0.21 -1.49 0.00 7.12 0.58 0.70 115.31 123.10 2kvv h LEU 16 Ca 0.04 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.07 2kvv h LEU 16 Cb 1.02 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.09 2kvv h LEU 16 CO 0.10 0.16 0.32 0.00 -0.13 0.00 0.00 178.44 178.89 2kvv h MET 17 N 0.29 0.66 0.00 1.25 -0.00 -1.46 0.11 114.93 115.78 2kvv h MET 17 Ca 0.11 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.70 59.64 2kvv h MET 17 Cb 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 31.46 2kvv h MET 17 CO -0.07 0.45 -0.60 0.28 -0.00 0.00 0.00 176.91 176.97 2kvv h VAL 18 N 0.68 1.14 0.00 -0.10 2.07 -1.30 -0.30 116.25 118.44 2kvv h VAL 18 Ca 0.18 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.39 2kvv h VAL 18 Cb -0.06 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2kvv h VAL 18 CO -0.04 0.59 -1.06 0.54 0.02 0.00 0.00 177.57 177.62 2kvv n ARG 19 N -3.41 0.30 -0.06 1.57 5.12 0.15 -4.38 116.66 115.95 2kvv n ARG 19 Ca 0.01 -0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 2kvv n ARG 19 Cb 0.71 -1.59 -0.09 0.00 -1.16 0.00 0.00 32.46 30.33 2kvv n ARG 19 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2kvv n THR 20 N -1.97 0.79 -0.07 0.55 -2.24 0.32 -5.02 114.28 106.64 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 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.28 0.53 3.87 3.38 0.00 -0.14 -5.07 105.19 110.04 2kvv n GLY 21 Ca -0.19 0.00 -0.30 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 2.34 0.39 0.99 1.02 -1.13 -5.01 118.68 117.29 2kvv s LEU 22 Ca 0.00 0.30 0.08 0.00 0.02 0.00 0.00 54.13 54.53 2kvv s LEU 22 Cb 0.00 -2.25 -0.06 0.00 0.02 0.00 0.00 46.19 43.90 2kvv s LEU 22 CO 0.00 -3.05 0.11 -0.83 0.02 0.00 0.00 176.35 172.60 2kvv s GLY 23 N -4.73 2.30 0.18 -3.19 0.00 -1.26 -4.64 107.32 95.98 2kvv s GLY 23 Ca 0.74 -2.11 -0.14 0.00 0.00 0.00 0.00 44.72 43.22 2kvv s GLY 23 CO 0.54 -1.94 1.82 0.00 0.00 0.00 0.00 173.10 173.52 2kvv h ALA 24 N 1.57 0.66 -0.60 3.20 0.00 -1.97 -0.98 119.26 121.15 2kvv h ALA 24 Ca -0.43 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2kvv h ALA 24 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kvv h ALA 24 CO 0.71 0.03 0.09 -0.09 0.00 0.00 0.00 179.25 180.00 2kvv h ARG 25 N 0.63 0.99 -0.64 0.00 2.43 -1.99 -1.97 114.38 113.83 2kvv h ARG 25 Ca 0.20 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2kvv h ARG 25 Cb 0.00 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2kvv h ARG 25 CO -0.08 0.94 0.23 0.37 -1.51 0.00 0.00 179.97 179.92 2kvv h GLN 26 N 0.89 0.98 0.39 0.20 4.15 -1.88 -0.44 115.11 119.41 2kvv h GLN 26 Ca 0.18 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2kvv h GLN 26 Cb 0.43 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2kvv h GLN 26 CO 0.01 0.84 -0.19 0.82 -1.93 0.00 0.00 178.83 178.38 2kvv h ILE 27 N 0.92 0.62 -0.03 2.39 2.04 -1.04 -2.13 117.51 120.27 2kvv h ILE 27 Ca 0.21 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2kvv h ILE 27 Cb 0.25 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2kvv h ILE 27 CO -0.01 0.04 0.03 1.05 0.00 0.00 0.00 178.15 179.25 2kvv h GLU 28 N -0.65 0.00 -0.26 2.37 4.11 -1.31 0.62 114.58 119.46 2kvv h GLU 28 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2kvv h GLU 28 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2kvv h GLU 28 CO 0.09 0.00 0.11 1.03 0.07 0.00 0.00 179.01 180.31 2kvv h SER 29 N 0.00 0.35 0.48 3.06 0.87 -0.86 -1.82 113.55 115.64 2kvv h SER 29 Ca 0.02 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 2kvv h SER 29 Cb 0.07 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2kvv h SER 29 CO -0.00 0.41 -0.39 1.88 -0.53 0.00 0.00 176.83 178.20 2kvv h TYR 30 N 0.27 0.00 0.00 2.24 0.05 -0.61 -1.82 116.97 117.10 2kvv h TYR 30 Ca 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2kvv h TYR 30 Cb 0.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2kvv h TYR 30 CO -0.01 0.39 -0.05 0.00 -1.05 0.00 0.00 178.16 177.44 2kvv h ARG 31 N 0.00 0.00 -0.06 4.88 3.08 -0.53 -0.53 114.38 121.21 2kvv h ARG 31 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2kvv h ARG 31 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2kvv h ARG 31 CO 0.05 0.05 -0.69 1.96 -1.07 0.00 0.00 179.97 180.28 2kvv h GLN 32 N 0.00 0.29 -0.02 0.04 1.08 -0.48 -3.41 115.11 112.62 2kvv h GLN 32 Ca -0.00 -0.23 -0.24 0.00 -1.45 0.00 0.00 58.65 56.73 2kvv h GLN 32 Cb 0.10 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.43 2kvv h GLN 32 CO 0.01 0.87 -0.45 0.41 -0.95 0.00 0.00 178.83 178.71 2kvv n GLY 33 N 0.46 0.56 0.00 3.46 0.00 -1.04 -4.94 105.19 103.68 2kvv n GLY 33 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.51 0.00 -2.28 4.61 0.00 -0.30 -4.95 120.51 118.09 2kvv n ALA 34 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2kvv n ALA 34 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.51 3.38 -0.04 0.00 0.23 -0.64 -4.96 118.94 116.40 2kvv s TRP 35 Ca 0.00 1.23 0.02 0.00 -2.03 0.00 0.00 56.10 55.32 2kvv s TRP 35 Cb 0.00 -3.50 0.01 0.00 0.03 0.00 0.00 33.47 30.01 2kvv s TRP 35 CO 0.00 -1.57 -0.09 0.42 0.96 0.00 0.00 176.95 176.67 2kvv s ILE 36 N 0.87 0.80 0.44 2.03 1.01 -1.26 -5.00 121.20 120.09 2kvv s ILE 36 Ca 0.59 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.66 2kvv s ILE 36 Cb -0.32 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 2kvv s ILE 36 CO 0.31 0.27 1.40 -0.62 0.00 0.00 0.00 174.94 176.29 2kvv n GLU 37 N 3.60 2.20 0.00 2.79 4.71 -1.26 -0.84 120.64 131.84 2kvv n GLU 37 Ca -0.21 0.78 0.00 0.00 -0.01 0.00 0.00 57.16 57.72 2kvv n GLU 37 Cb 0.53 -2.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.38 2kvv n GLU 37 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kvv n GLY 38 N 0.63 1.38 0.06 0.62 0.00 0.21 -4.58 105.19 103.52 2kvv n GLY 38 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 0.01 1.61 2.07 -1.99 -3.42 116.25 114.52 2kvv h VAL 39 Ca 0.00 -0.91 -0.36 0.00 0.82 0.00 0.00 66.70 66.25 2kvv h VAL 39 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 2kvv h VAL 39 CO 0.00 0.00 -2.26 1.41 0.02 0.00 0.00 177.57 176.74 2kvv n HIS 40 N -4.64 0.26 -3.96 1.57 8.25 -0.02 -4.87 115.22 111.80 2kvv n HIS 40 Ca -0.01 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.45 2kvv n HIS 40 Cb 0.02 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.04 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 -2.52 0.25 0.01 4.41 -0.71 -0.85 -1.21 117.98 117.35 2kvv s PHE 41 Ca -0.14 -0.62 -0.24 0.00 -1.04 0.00 0.00 56.93 54.89 2kvv s PHE 41 Cb 0.07 0.28 0.05 0.00 -1.21 0.00 0.00 43.02 42.21 2kvv s PHE 41 CO 0.79 -1.02 0.54 -1.59 -1.34 0.00 0.00 175.22 172.60 2kvv s LYS 42 N -3.99 0.99 0.04 1.99 0.00 -1.12 0.68 119.74 118.32 2kvv s LYS 42 Ca 0.20 -0.07 -0.30 0.00 0.00 0.00 0.00 55.97 55.80 2kvv s LYS 42 Cb -0.01 0.46 -0.04 0.00 0.00 0.00 0.00 37.83 38.23 2kvv s LYS 42 CO 0.08 -0.33 1.03 -0.98 0.00 0.00 0.00 175.35 175.14 2kvv s ARG 43 N -1.88 4.56 0.26 1.78 1.70 -1.26 -3.02 118.95 121.08 2kvv s ARG 43 Ca -0.08 1.51 0.10 0.00 -0.47 0.00 0.00 55.73 56.79 2kvv s ARG 43 Cb -0.01 -3.41 -0.04 0.00 -0.57 0.00 0.00 34.95 30.91 2kvv s ARG 43 CO 0.03 -0.05 -0.05 0.08 -1.08 0.00 0.00 175.30 174.23 2kvv s VAL 44 N 0.80 3.22 0.14 4.99 1.01 0.69 -4.99 120.40 126.27 2kvv s VAL 44 Ca 0.52 -2.01 -0.35 0.00 0.00 0.00 0.00 61.98 60.15 2kvv s VAL 44 Cb -0.24 -2.71 -0.15 0.00 0.00 0.00 0.00 36.38 33.29 2kvv s VAL 44 CO 0.29 -0.36 1.40 -1.20 0.00 0.00 0.00 175.10 175.23 2kvv n SER 45 N -0.78 2.22 -4.63 3.32 7.64 -1.26 -2.29 113.62 117.84 2kvv n SER 45 Ca -0.06 1.11 -0.43 0.00 1.01 0.00 0.00 58.87 60.50 2kvv n SER 45 Cb 0.59 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 2kvv n SER 45 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2kvv s PRO 46 N 0.40 3.57 0.00 1.43 0.04 -1.26 -4.56 135.00 134.63 2kvv s PRO 46 Ca 0.79 2.20 0.05 0.00 0.04 0.00 0.00 61.00 64.08 2kvv s PRO 46 Cb -0.81 -4.26 0.21 0.00 0.04 0.00 0.00 34.50 29.67 2kvv s PRO 46 CO 0.45 -1.60 1.15 0.43 0.04 0.00 0.00 177.00 177.47 2kvv n SER 47 N 9.82 0.57 0.00 6.66 7.64 -1.26 -4.81 113.62 132.23 2kvv n SER 47 Ca 0.25 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2kvv n SER 47 Cb 0.44 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2kvv n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kvv n GLY 48 N 0.70 0.60 3.67 0.23 0.00 -1.26 -5.11 105.19 104.02 2kvv n GLY 48 Ca 0.05 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 1.45 4.23 -0.71 1.61 0.41 -1.26 -4.95 118.70 119.48 2kvv s GLU 49 Ca 0.00 2.02 -0.27 0.00 -0.41 0.00 0.00 54.97 56.31 2kvv s GLU 49 Cb 0.00 -3.75 0.02 0.00 -1.78 0.00 0.00 34.13 28.62 2kvv s GLU 49 CO 0.00 -0.70 1.39 0.15 -0.49 0.00 0.00 175.26 175.60 2kvv s LYS 50 N 3.18 3.09 0.13 1.61 3.01 -1.26 -4.90 119.74 124.60 2kvv s LYS 50 Ca 0.66 -0.06 0.06 0.00 -1.01 0.00 0.00 55.97 55.61 2kvv s LYS 50 Cb -0.31 -4.22 -0.04 0.00 -1.01 0.00 0.00 37.83 32.26 2kvv s LYS 50 CO 0.26 -2.25 -0.13 0.99 0.51 0.00 0.00 175.35 174.73 2kvv s THR 51 N 6.35 1.32 -0.21 2.17 2.01 -1.26 -5.04 115.64 120.99 2kvv s THR 51 Ca 0.41 -1.82 0.24 0.00 0.31 0.00 0.00 61.69 60.83 2kvv s THR 51 Cb -0.09 -1.62 0.24 0.00 0.01 0.00 0.00 72.50 71.04 2kvv s THR 51 CO 0.16 -0.50 1.73 -0.07 -0.69 0.00 0.00 174.62 175.25 2kvv h LEU 52 N 3.30 0.00 0.03 4.42 -0.00 -2.06 -0.79 115.31 120.22 2kvv h LEU 52 Ca -0.39 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.26 2kvv h LEU 52 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 2kvv h LEU 52 CO 0.54 0.00 -1.08 0.03 -0.00 0.00 0.00 178.44 177.93 2kvv h ARG 53 N 0.00 0.06 0.00 1.13 3.08 -1.97 -3.50 114.38 113.17 2kvv h ARG 53 Ca 0.00 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2kvv h ARG 53 Cb 0.10 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2kvv h ARG 53 CO 0.00 1.03 -0.09 0.41 -1.07 0.00 0.00 179.97 180.25 2kvv n GLY 54 N 1.40 -1.85 3.50 0.04 0.00 -0.30 -4.74 105.19 103.24 2kvv n GLY 54 Ca -0.03 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.67 5.12 -0.19 2.61 2.01 -0.97 -4.94 115.64 118.61 2kvv s THR 55 Ca 0.00 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 2kvv s THR 55 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2kvv s THR 55 CO 0.00 -0.03 0.39 -0.89 -0.69 0.00 0.00 174.62 173.40 2kvv s THR 56 N 1.69 5.21 -0.05 -0.82 2.01 -1.26 -0.22 115.64 122.19 2kvv s THR 56 Ca 0.05 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.79 2kvv s THR 56 Cb -0.18 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2kvv s THR 56 CO 0.09 0.27 -0.15 0.26 -0.69 0.00 0.00 174.62 174.41 2kvv s TRP 57 N 1.15 2.68 0.06 4.92 0.52 -1.17 -4.63 118.94 122.48 2kvv s TRP 57 Ca 0.19 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.12 2kvv s TRP 57 Cb -0.15 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2kvv s TRP 57 CO 0.08 0.13 0.01 0.71 0.02 0.00 0.00 176.95 177.90 2kvv s TYR 58 N -0.62 3.05 -0.66 -1.98 2.02 -0.05 -2.80 117.35 116.31 2kvv s TYR 58 Ca 0.09 0.02 -0.24 0.00 -0.37 0.00 0.00 57.07 56.57 2kvv s TYR 58 Cb -0.11 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 39.91 2kvv s TYR 58 CO 0.01 0.48 1.06 -0.80 -1.57 0.00 0.00 175.55 174.73 2kvv s ASN 59 N -2.11 6.21 0.22 2.29 0.01 -0.35 -2.19 114.94 119.02 2kvv s ASN 59 Ca 0.25 -0.67 -0.08 0.00 -0.71 0.00 0.00 52.86 51.65 2kvv s ASN 59 Cb -0.12 -2.47 0.32 0.00 0.41 0.00 0.00 41.25 39.39 2kvv s ASN 59 CO 0.17 -1.52 1.75 0.22 -1.51 0.00 0.00 177.10 176.21 2kvv h TYR 60 N 9.65 0.45 -0.50 2.20 3.20 -1.24 -1.24 116.97 129.49 2kvv h TYR 60 Ca -0.28 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.71 2kvv h TYR 60 Cb 1.06 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 2kvv h TYR 60 CO 1.01 0.11 0.10 -1.00 -1.64 0.00 0.00 178.16 176.74 2kvv h PRO 61 N 0.44 0.24 -0.47 1.82 0.13 -1.92 0.19 132.00 132.43 2kvv h PRO 61 Ca 0.33 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.33 2kvv h PRO 61 Cb 0.42 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 2kvv h PRO 61 CO -0.32 0.16 -0.17 0.93 -0.23 0.00 0.00 178.00 178.37 2kvv h GLU 62 N 0.24 0.91 -0.32 0.86 4.39 -1.78 0.65 114.58 119.52 2kvv h GLU 62 Ca 0.25 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2kvv h GLU 62 Cb 0.33 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2kvv h GLU 62 CO -0.32 1.00 -0.13 0.82 -1.16 0.00 0.00 179.01 179.22 2kvv h ILE 63 N 0.80 1.29 -0.87 3.13 2.04 -0.85 0.90 117.51 123.94 2kvv h ILE 63 Ca 0.12 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2kvv h ILE 63 Cb 0.71 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2kvv h ILE 63 CO 0.05 0.39 0.56 -1.13 0.00 0.00 0.00 178.15 178.03 2kvv h ASN 64 N 0.43 1.01 -0.58 1.72 -1.24 -0.56 -0.06 115.58 116.30 2kvv h ASN 64 Ca 0.08 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.06 2kvv h ASN 64 Cb 0.65 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2kvv h ASN 64 CO 0.04 0.75 0.37 0.50 -1.29 0.00 0.00 177.43 177.80 2kvv h LYS 65 N 1.18 0.71 -0.25 6.67 3.11 -0.64 0.29 116.57 127.65 2kvv h LYS 65 Ca 0.32 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 58.10 2kvv h LYS 65 Cb -0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 30.95 2kvv h LYS 65 CO -0.07 0.47 0.10 0.35 -2.81 0.00 0.00 179.45 177.49 2kvv h PHE 66 N 0.73 0.38 -0.13 1.91 3.57 -0.27 -1.88 116.94 121.27 2kvv h PHE 66 Ca 0.23 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2kvv h PHE 66 Cb -0.02 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2kvv h PHE 66 CO -0.05 0.41 -0.06 0.82 -2.23 0.00 0.00 178.31 177.20 2kvv h ILE 67 N 0.25 1.31 -0.43 1.41 2.04 -0.89 -3.23 117.51 117.97 2kvv h ILE 67 Ca 0.08 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2kvv h ILE 67 Cb 0.19 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2kvv h ILE 67 CO -0.01 0.31 0.21 -0.09 0.00 0.00 0.00 178.15 178.58 2kvv h ARG 68 N -0.08 0.59 -0.11 2.37 9.65 -0.42 -0.83 114.38 125.55 2kvv h ARG 68 Ca 0.03 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2kvv h ARG 68 Cb 0.52 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2kvv h ARG 68 CO 0.02 0.46 0.09 0.22 2.80 0.00 0.00 179.97 183.55 2kvv h ASP 69 N 0.60 0.00 1.02 -3.80 3.58 -1.35 0.45 116.42 116.92 2kvv h ASP 69 Ca 0.15 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2kvv h ASP 69 Cb 0.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2kvv h ASP 69 CO -0.02 0.00 -0.27 -1.28 -2.88 0.00 0.00 179.24 174.78 2kvv h SER 70 N 0.00 0.00 0.16 2.28 0.87 -1.21 -3.26 113.55 112.39 2kvv h SER 70 Ca 0.05 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.27 2kvv h SER 70 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kvv h SER 70 CO -0.00 0.27 -1.73 -0.07 -0.53 0.00 0.00 176.83 174.77 2kvv h LEU 71 N 0.00 0.55 0.66 2.23 -0.00 -0.97 -3.48 115.31 114.29 2kvv h LEU 71 Ca -0.00 -0.93 -0.25 0.00 -0.00 0.00 0.00 57.88 56.70 2kvv h LEU 71 Cb 0.86 -0.18 -0.10 0.00 -0.00 0.00 0.00 40.66 41.24 2kvv h LEU 71 CO 0.04 1.77 -0.23 -0.62 -0.00 0.00 0.00 178.44 179.40 2kvv n GLU 72 N -3.64 -1.61 -2.92 1.13 1.02 -0.70 -4.92 120.64 109.00 2kvv n GLU 72 Ca -0.26 0.88 -0.43 0.00 -0.02 0.00 0.00 57.16 57.33 2kvv n GLU 72 Cb 1.04 -5.20 -0.05 0.00 -0.02 0.00 0.00 31.44 27.21 2kvv n GLU 72 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kvv s HIS 73 N -2.00 2.82 -0.04 -0.32 3.76 -1.26 -4.73 115.29 113.52 2kvv s HIS 73 Ca 0.00 -0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.61 2kvv s HIS 73 Cb 0.00 -4.01 0.01 0.00 1.11 0.00 0.00 32.58 29.69 2kvv s HIS 73 CO 0.00 -1.35 0.06 -2.39 -0.85 0.00 0.00 174.74 170.21 2kvv n HIS 74 N 7.22 -0.24 -1.99 1.40 1.44 -1.26 -4.79 115.22 116.99 2kvv n HIS 74 Ca -0.02 0.10 -0.37 0.00 -2.01 0.00 0.00 57.72 55.42 2kvv n HIS 74 Cb 0.46 -0.62 -0.03 0.00 0.12 0.00 0.00 29.99 29.92 2kvv n HIS 74 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvv s HIS 75 N -0.60 1.61 -0.12 -1.40 5.04 -1.26 -4.97 115.29 113.59 2kvv s HIS 75 Ca 0.03 0.86 -0.15 0.00 -1.54 0.00 0.00 55.06 54.27 2kvv s HIS 75 Cb -0.00 -4.03 -0.05 0.00 0.04 0.00 0.00 32.58 28.54 2kvv s HIS 75 CO 0.08 -2.28 0.35 -3.38 -2.34 0.00 0.00 174.74 167.16 2kvv s HIS 76 N 9.51 3.53 -0.30 3.88 -3.43 -1.26 -5.05 115.29 122.17 2kvv s HIS 76 Ca 0.70 0.73 -0.17 0.00 -0.80 0.00 0.00 55.06 55.52 2kvv s HIS 76 Cb -0.13 -2.35 0.18 0.00 -1.43 0.00 0.00 32.58 28.85 2kvv s HIS 76 CO 0.19 0.33 1.18 -1.58 -2.00 0.00 0.00 174.74 172.86 2kvv s HIS 77 N 0.13 -0.27 -2.90 0.38 5.04 -1.26 -5.29 115.29 111.12 2kvv s HIS 77 Ca 0.20 0.37 0.23 0.00 -1.54 0.00 0.00 55.06 54.32 2kvv s HIS 77 Cb -0.14 0.13 0.18 0.00 0.04 0.00 0.00 32.58 32.79 2kvv s HIS 77 CO 0.07 -0.14 1.23 -2.39 -2.34 0.00 0.00 174.74 171.17