#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvv n ALA 2 N 0.00 1.05 -3.64 3.04 0.00 -1.26 -5.02 120.51 114.68 2kvv n ALA 2 Ca 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 2kvv n ALA 2 Cb 0.00 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.16 2kvv n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2kvv s GLN 3 N -1.85 0.57 -0.66 0.00 0.74 -1.26 -5.11 119.66 112.09 2kvv s GLN 3 Ca 0.56 0.80 -0.26 0.00 0.05 0.00 0.00 55.36 56.52 2kvv s GLN 3 Cb -0.58 0.21 -0.05 0.00 1.10 0.00 0.00 33.01 33.69 2kvv s GLN 3 CO 0.62 -0.09 2.04 0.42 -0.55 0.00 0.00 175.29 177.73 2kvv s ILE 4 N 0.80 3.27 0.02 -2.34 -1.09 -1.26 -4.94 121.20 115.66 2kvv s ILE 4 Ca -0.03 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.46 2kvv s ILE 4 Cb -0.05 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2kvv s ILE 4 CO -0.10 -0.65 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.21 2kvv s ILE 5 N 10.43 0.97 -1.45 2.92 -1.09 -1.26 -4.79 121.20 126.94 2kvv s ILE 5 Ca 0.76 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2kvv s ILE 5 Cb -0.12 -0.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.89 2kvv s ILE 5 CO 0.17 0.09 0.00 0.49 -1.23 0.00 0.00 174.94 174.46 2kvv n PHE 6 N 2.28 -0.47 -0.41 3.97 3.72 -1.26 -4.89 117.46 120.40 2kvv n PHE 6 Ca -0.16 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.30 2kvv n PHE 6 Cb 0.55 -3.03 0.19 0.00 -0.94 0.00 0.00 39.48 36.25 2kvv n PHE 6 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kvv n ASN 7 N -0.80 3.28 -4.52 4.37 5.15 -1.26 -4.96 115.26 116.52 2kvv n ASN 7 Ca -0.17 -2.28 -0.43 0.00 -0.60 0.00 0.00 54.58 51.10 2kvv n ASN 7 Cb 0.59 -0.33 -0.04 0.00 -0.53 0.00 0.00 39.78 39.47 2kvv n ASN 7 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2kvv s GLU 8 N -1.50 3.32 -0.26 1.20 8.01 -1.26 -4.89 118.70 123.33 2kvv s GLU 8 Ca 0.30 -0.25 -0.10 0.00 0.01 0.00 0.00 54.97 54.93 2kvv s GLU 8 Cb 0.19 -4.07 -0.05 0.00 -4.31 0.00 0.00 34.13 25.89 2kvv s GLU 8 CO 0.15 -1.59 0.15 -2.00 0.01 0.00 0.00 175.26 171.98 2kvv s GLU 9 N 4.21 3.91 -0.01 1.61 2.56 -1.26 -5.09 118.70 124.63 2kvv s GLU 9 Ca 0.32 -0.34 0.07 0.00 0.00 0.00 0.00 54.97 55.01 2kvv s GLU 9 Cb -0.12 -3.54 -0.02 0.00 2.00 0.00 0.00 34.13 32.45 2kvv s GLU 9 CO 0.19 -0.11 -0.23 -1.58 -0.56 0.00 0.00 175.26 172.97 2kvv s TRP 10 N 1.52 2.04 0.33 5.30 0.52 -1.26 -2.74 118.94 124.64 2kvv s TRP 10 Ca 0.07 -0.39 -0.17 0.00 0.02 0.00 0.00 56.10 55.63 2kvv s TRP 10 Cb -0.15 -1.30 0.03 0.00 -1.15 0.00 0.00 33.47 30.90 2kvv s TRP 10 CO 0.08 -0.02 0.71 0.00 0.02 0.00 0.00 176.95 177.74 2kvv s MET 11 N -0.59 1.97 0.75 4.98 0.23 -1.19 -5.00 119.30 120.45 2kvv s MET 11 Ca 0.09 -1.26 -0.08 0.00 -1.03 0.00 0.00 55.69 53.41 2kvv s MET 11 Cb -0.09 0.59 0.08 0.00 -1.53 0.00 0.00 34.83 33.89 2kvv s MET 11 CO -0.01 -0.90 1.08 0.14 -2.03 0.00 0.00 175.02 173.30 2kvv s VAL 12 N -3.17 2.19 0.23 5.16 -7.23 -1.26 -0.44 120.40 115.88 2kvv s VAL 12 Ca 0.15 -0.22 -0.07 0.00 -1.81 0.00 0.00 61.98 60.03 2kvv s VAL 12 Cb -0.05 -2.97 0.19 0.00 0.56 0.00 0.00 36.38 34.12 2kvv s VAL 12 CO 0.10 0.00 1.87 -0.08 -0.31 0.00 0.00 175.10 176.68 2kvv h GLU 13 N -0.79 0.98 -0.35 4.82 4.81 -1.97 0.14 114.58 122.22 2kvv h GLU 13 Ca -0.44 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2kvv h GLU 13 Cb 1.31 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 2kvv h GLU 13 CO 0.57 0.65 0.06 -0.22 -0.73 0.00 0.00 179.01 179.34 2kvv h LYS 14 N 1.01 0.17 -0.24 1.92 3.11 -1.99 -1.00 116.57 119.55 2kvv h LYS 14 Ca 0.34 -0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 58.00 2kvv h LYS 14 Cb 0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2kvv h LYS 14 CO -0.13 0.11 -0.51 0.00 -2.81 0.00 0.00 179.45 176.11 2kvv h ALA 15 N 1.27 0.64 -0.24 5.00 0.00 -1.83 -3.15 119.26 120.96 2kvv h ALA 15 Ca 0.17 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2kvv h ALA 15 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2kvv h ALA 15 CO -0.23 0.68 0.03 1.25 0.00 0.00 0.00 179.25 180.98 2kvv h LEU 16 N 0.53 -0.02 -1.21 0.00 7.12 -0.11 0.10 115.31 121.72 2kvv h LEU 16 Ca 0.02 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.05 2kvv h LEU 16 Cb 1.07 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 41.24 2kvv h LEU 16 CO 0.10 0.02 0.23 0.00 -0.13 0.00 0.00 178.44 178.66 2kvv h MET 17 N 0.12 0.78 -0.23 1.25 -0.00 -1.26 0.36 114.93 115.94 2kvv h MET 17 Ca 0.11 -0.11 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 2kvv h MET 17 Cb 0.12 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.57 2kvv h MET 17 CO -0.16 0.63 -0.43 0.28 -0.00 0.00 0.00 176.91 177.23 2kvv h VAL 18 N 0.77 1.30 -0.07 -0.10 2.07 -1.33 0.18 116.25 119.08 2kvv h VAL 18 Ca 0.19 -1.62 -0.22 0.00 0.82 0.00 0.00 66.70 65.87 2kvv h VAL 18 Cb 0.14 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2kvv h VAL 18 CO -0.02 0.51 -0.86 0.03 0.02 0.00 0.00 177.57 177.25 2kvv h ARG 19 N 0.46 0.60 0.01 1.57 2.47 -0.31 -3.36 114.38 115.82 2kvv h ARG 19 Ca 0.03 -0.55 -0.32 0.00 -1.26 0.00 0.00 59.98 57.89 2kvv h ARG 19 Cb 0.95 0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.35 2kvv h ARG 19 CO 0.08 1.17 -1.93 0.25 0.56 0.00 0.00 179.97 180.10 2kvv n THR 20 N -3.85 1.56 0.00 2.04 -2.24 0.07 -4.99 114.28 106.86 2kvv n THR 20 Ca -0.07 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2kvv n THR 20 Cb 0.78 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.55 1.97 3.38 0.00 0.60 -5.08 105.19 108.27 2kvv n GLY 21 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2kvv n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kvv n LEU 22 N 0.00 0.00 -4.27 0.99 4.32 -1.00 -4.98 117.00 112.06 2kvv n LEU 22 Ca 0.00 -0.74 -0.15 0.00 -0.02 0.00 0.00 56.01 55.11 2kvv n LEU 22 Cb 0.00 -0.52 -0.10 0.00 -1.62 0.00 0.00 43.42 41.18 2kvv n LEU 22 CO 0.00 -1.03 -0.26 -0.83 -1.22 0.00 0.00 177.39 174.05 2kvv s GLY 23 N -4.42 1.56 0.15 -0.72 0.00 -1.26 -4.57 107.32 98.06 2kvv s GLY 23 Ca 0.39 -1.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.16 2kvv s GLY 23 CO 0.27 -1.52 1.71 0.00 0.00 0.00 0.00 173.10 173.56 2kvv h ALA 24 N 2.51 0.28 0.00 3.20 0.00 -1.98 -0.36 119.26 122.90 2kvv h ALA 24 Ca -0.37 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2kvv h ALA 24 Cb 1.24 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kvv h ALA 24 CO 0.59 -0.40 -0.05 0.07 0.00 0.00 0.00 179.25 179.45 2kvv h ARG 25 N 0.10 0.00 0.00 0.00 0.11 -2.01 -2.65 114.38 109.93 2kvv h ARG 25 Ca 0.15 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.20 2kvv h ARG 25 Cb 0.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 2kvv h ARG 25 CO -0.24 0.05 -0.17 0.37 0.10 0.00 0.00 179.97 180.08 2kvv h GLN 26 N 0.00 0.00 -0.70 0.08 5.75 -1.60 -3.36 115.11 115.28 2kvv h GLN 26 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2kvv h GLN 26 Cb 0.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 2kvv h GLN 26 CO 0.01 0.61 0.46 0.82 -2.65 0.00 0.00 178.83 178.07 2kvv h ILE 27 N -1.00 1.15 -0.12 2.39 2.04 -1.01 -2.36 117.51 118.60 2kvv h ILE 27 Ca -0.04 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2kvv h ILE 27 Cb 0.68 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2kvv h ILE 27 CO -0.02 0.17 0.09 1.05 0.00 0.00 0.00 178.15 179.43 2kvv h GLU 28 N 0.92 0.00 -0.35 2.37 4.11 -1.66 0.12 114.58 120.10 2kvv h GLU 28 Ca 0.27 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.58 2kvv h GLU 28 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2kvv h GLU 28 CO -0.07 0.00 -0.25 1.03 0.07 0.00 0.00 179.01 179.79 2kvv h SER 29 N 0.00 0.71 0.75 3.06 0.87 -1.57 -2.76 113.55 114.62 2kvv h SER 29 Ca 0.05 -0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.16 2kvv h SER 29 Cb 0.23 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2kvv h SER 29 CO -0.00 0.94 -0.89 1.88 -0.53 0.00 0.00 176.83 178.23 2kvv h TYR 30 N 0.61 0.13 -0.00 2.24 0.05 -1.08 -3.23 116.97 115.69 2kvv h TYR 30 Ca 0.08 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2kvv h TYR 30 Cb 0.74 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 2kvv h TYR 30 CO 0.03 0.92 0.00 0.00 -1.05 0.00 0.00 178.16 178.07 2kvv h ARG 31 N 0.04 0.00 -0.60 4.88 3.08 -0.56 -0.77 114.38 120.46 2kvv h ARG 31 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2kvv h ARG 31 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2kvv h ARG 31 CO 0.12 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.06 2kvv n GLN 32 N -3.86 2.75 0.00 0.04 1.13 -1.11 -4.57 117.38 111.77 2kvv n GLN 32 Ca -0.03 -2.16 0.00 0.00 -1.94 0.00 0.00 57.00 52.88 2kvv n GLN 32 Cb 0.08 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.83 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 1.18 -0.55 0.28 1.08 0.00 -0.39 -4.98 105.19 101.82 2kvv n GLY 33 Ca 0.20 0.25 0.17 0.00 0.00 0.00 0.00 46.02 46.63 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 1.05 1.07 -1.63 4.61 0.00 -1.66 -3.41 119.26 119.30 2kvv h ALA 34 Ca 0.00 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 2kvv h ALA 34 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2kvv h ALA 34 CO 0.00 0.07 1.23 -1.58 0.00 0.00 0.00 179.25 178.97 2kvv s TRP 35 N -3.89 1.96 -0.16 0.00 0.23 -0.63 -4.90 118.94 111.55 2kvv s TRP 35 Ca -0.01 0.62 -0.06 0.00 -2.03 0.00 0.00 56.10 54.62 2kvv s TRP 35 Cb 0.11 -4.22 -0.04 0.00 0.03 0.00 0.00 33.47 29.35 2kvv s TRP 35 CO 0.54 -2.32 0.06 0.42 0.96 0.00 0.00 176.95 176.61 2kvv s ILE 36 N 7.27 4.83 0.41 2.03 1.01 -1.26 -4.89 121.20 130.60 2kvv s ILE 36 Ca 0.64 -0.03 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 2kvv s ILE 36 Cb -0.14 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 2kvv s ILE 36 CO 0.26 0.51 1.37 -1.83 0.00 0.00 0.00 174.94 175.25 2kvv s GLU 37 N -0.08 3.94 0.00 2.79 -1.05 -1.26 -0.28 118.70 122.76 2kvv s GLU 37 Ca 0.07 2.30 0.00 0.00 -0.15 0.00 0.00 54.97 57.19 2kvv s GLU 37 Cb -0.12 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 2kvv s GLU 37 CO 0.01 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.06 2kvv n GLY 38 N 0.62 1.23 0.08 -3.83 0.00 0.18 -4.63 105.19 98.85 2kvv n GLY 38 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 1.31 0.00 1.61 2.07 -1.95 -3.42 116.25 115.87 2kvv h VAL 39 Ca 0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2kvv h VAL 39 Cb 0.00 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2kvv h VAL 39 CO 0.00 0.44 -1.28 1.41 0.02 0.00 0.00 177.57 178.16 2kvv n HIS 40 N -4.55 0.00 -3.66 1.57 8.25 0.61 -4.88 115.22 112.56 2kvv n HIS 40 Ca -0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.13 2kvv n HIS 40 Cb 0.53 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.53 -0.55 0.22 4.41 -0.71 -1.06 -1.09 117.98 116.67 2kvv s PHE 41 Ca -0.02 1.19 0.11 0.00 -1.04 0.00 0.00 56.93 57.16 2kvv s PHE 41 Cb 0.06 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 42.07 2kvv s PHE 41 CO 0.38 -0.39 -0.21 -1.59 -1.34 0.00 0.00 175.22 172.07 2kvv s LYS 42 N -0.37 1.52 0.02 1.99 -2.85 0.23 0.47 119.74 120.75 2kvv s LYS 42 Ca -0.05 -1.58 -0.09 0.00 -1.00 0.00 0.00 55.97 53.24 2kvv s LYS 42 Cb -0.03 -1.71 -0.05 0.00 -2.06 0.00 0.00 37.83 33.98 2kvv s LYS 42 CO 0.04 0.35 0.33 -0.98 0.10 0.00 0.00 175.35 175.18 2kvv s ARG 43 N -2.99 3.69 -0.29 1.78 1.70 -1.26 -1.34 118.95 120.24 2kvv s ARG 43 Ca 0.23 0.10 -0.02 0.00 -0.47 0.00 0.00 55.73 55.56 2kvv s ARG 43 Cb -0.06 -3.09 0.10 0.00 -0.57 0.00 0.00 34.95 31.32 2kvv s ARG 43 CO 0.11 0.64 0.11 0.08 -1.08 0.00 0.00 175.30 175.16 2kvv s VAL 44 N -1.26 0.42 -0.43 4.99 1.01 0.69 -4.95 120.40 120.87 2kvv s VAL 44 Ca 0.27 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 2kvv s VAL 44 Cb -0.14 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2kvv s VAL 44 CO 0.15 -0.67 0.70 -0.94 0.00 0.00 0.00 175.10 174.33 2kvv s SER 45 N 1.85 6.37 0.50 3.32 1.04 -1.26 -0.06 113.70 125.46 2kvv s SER 45 Ca 0.09 -0.19 0.15 0.00 0.48 0.00 0.00 55.95 56.47 2kvv s SER 45 Cb -0.17 -2.35 1.19 0.00 0.10 0.00 0.00 66.02 64.80 2kvv s SER 45 CO -0.30 -0.81 2.12 1.55 0.98 0.00 0.00 173.24 176.79 2kvv h PRO 46 N 8.86 0.07 0.00 4.02 0.13 -1.96 -0.93 132.00 142.19 2kvv h PRO 46 Ca -0.25 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kvv h PRO 46 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kvv h PRO 46 CO 0.91 0.07 -0.19 -1.13 -0.23 0.00 0.00 178.00 177.43 2kvv n SER 47 N -4.51 0.63 -1.97 1.44 3.41 -1.26 -4.94 113.62 106.43 2kvv n SER 47 Ca -0.02 0.40 -0.20 0.00 -0.26 0.00 0.00 58.87 58.78 2kvv n SER 47 Cb 0.10 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 2kvv n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kvv n GLY 48 N 1.36 0.56 0.26 5.00 0.00 -0.35 -4.87 105.19 107.15 2kvv n GLY 48 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2kvv n GLY 48 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kvv n GLU 49 N -2.71 1.32 0.00 1.61 0.28 -1.26 -4.89 120.64 114.99 2kvv n GLU 49 Ca -0.22 -0.47 0.00 0.00 -0.16 0.00 0.00 57.16 56.31 2kvv n GLU 49 Cb 0.67 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 32.42 2kvv n GLU 49 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kvv n LYS 50 N -0.11 0.00 -0.84 3.44 5.02 -1.26 -4.95 118.16 119.46 2kvv n LYS 50 Ca 0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 2kvv n LYS 50 Cb 0.12 -0.41 0.15 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.00 2.39 -0.87 -0.18 2.01 -1.26 -4.86 115.64 112.86 2kvv s THR 51 Ca 0.00 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2kvv s THR 51 Cb 0.00 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2kvv s THR 51 CO 0.00 -0.16 0.38 0.18 -0.69 0.00 0.00 174.62 174.33 2kvv n LEU 52 N -4.08 0.85 -4.58 4.42 7.99 -1.26 -4.67 117.00 115.67 2kvv n LEU 52 Ca 0.11 -0.43 -0.39 0.00 -0.01 0.00 0.00 56.01 55.29 2kvv n LEU 52 Cb 0.52 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.48 2kvv n LEU 52 CO 0.51 0.19 1.79 -0.13 -1.51 0.00 0.00 177.39 178.24 2kvv s ARG 53 N -0.83 3.54 0.00 3.23 1.81 -1.26 -4.83 118.95 120.60 2kvv s ARG 53 Ca 0.00 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.36 2kvv s ARG 53 Cb 0.00 -5.43 0.00 0.00 -0.45 0.00 0.00 34.95 29.07 2kvv s ARG 53 CO 0.00 -2.71 0.00 0.41 -0.68 0.00 0.00 175.30 172.32 2kvv n GLY 54 N 5.70 0.64 3.85 -3.53 0.00 -1.26 -4.01 105.19 106.59 2kvv n GLY 54 Ca 0.46 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.11 4.92 -0.36 2.61 2.01 0.92 -4.84 115.64 118.79 2kvv s THR 55 Ca 0.00 0.68 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 2kvv s THR 55 Cb 0.00 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.86 2kvv s THR 55 CO 0.00 0.20 0.16 -0.89 -0.69 0.00 0.00 174.62 173.40 2kvv s THR 56 N -1.51 4.13 -0.11 -0.82 2.01 -1.26 -0.23 115.64 117.85 2kvv s THR 56 Ca 0.38 -1.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 2kvv s THR 56 Cb -0.14 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2kvv s THR 56 CO 0.19 -0.25 0.31 0.26 -0.69 0.00 0.00 174.62 174.45 2kvv s TRP 57 N 1.46 3.55 -0.07 4.92 0.52 -0.45 -4.62 118.94 124.25 2kvv s TRP 57 Ca 0.00 0.71 -0.11 0.00 0.02 0.00 0.00 56.10 56.72 2kvv s TRP 57 Cb -0.20 -2.29 -0.05 0.00 -1.15 0.00 0.00 33.47 29.79 2kvv s TRP 57 CO 0.04 0.40 0.27 0.71 0.02 0.00 0.00 176.95 178.40 2kvv s TYR 58 N -0.11 3.65 -0.88 -1.98 1.51 0.42 -0.60 117.35 119.36 2kvv s TYR 58 Ca 0.19 0.74 -0.25 0.00 -1.01 0.00 0.00 57.07 56.74 2kvv s TYR 58 Cb -0.14 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2kvv s TYR 58 CO 0.07 0.65 1.36 -0.80 -1.11 0.00 0.00 175.55 175.72 2kvv s ASN 59 N -0.92 6.33 0.13 2.29 -0.87 -0.25 -3.18 114.94 118.47 2kvv s ASN 59 Ca 0.19 -0.95 -0.20 0.00 -1.57 0.00 0.00 52.86 50.33 2kvv s ASN 59 Cb -0.14 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.51 2kvv s ASN 59 CO 0.08 -1.67 1.70 0.22 -2.57 0.00 0.00 177.10 174.87 2kvv h TYR 60 N 9.90 -0.10 -0.12 2.20 3.20 -1.83 0.15 116.97 130.38 2kvv h TYR 60 Ca -0.04 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2kvv h TYR 60 Cb 1.03 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 2kvv h TYR 60 CO 1.20 -0.08 0.19 -1.00 -1.64 0.00 0.00 178.16 176.82 2kvv h PRO 61 N 0.01 0.00 0.08 1.82 0.13 -1.90 0.16 132.00 132.29 2kvv h PRO 61 Ca 0.10 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.94 2kvv h PRO 61 Cb 0.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 2kvv h PRO 61 CO -0.21 0.00 -1.56 0.93 -0.23 0.00 0.00 178.00 176.92 2kvv h GLU 62 N 0.00 0.16 -0.06 0.86 4.39 -1.71 -3.09 114.58 115.13 2kvv h GLU 62 Ca 0.06 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2kvv h GLU 62 Cb 0.43 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2kvv h GLU 62 CO -0.00 1.13 -0.00 0.82 -1.16 0.00 0.00 179.01 179.79 2kvv h ILE 63 N -0.43 1.27 -0.36 3.13 2.04 -0.51 0.12 117.51 122.76 2kvv h ILE 63 Ca -0.36 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 64.71 2kvv h ILE 63 Cb 1.69 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 2kvv h ILE 63 CO -0.03 0.23 0.13 -1.13 0.00 0.00 0.00 178.15 177.34 2kvv h ASN 64 N -0.20 0.14 -0.83 1.72 -1.24 -0.91 -0.84 115.58 113.41 2kvv h ASN 64 Ca 0.02 0.04 0.08 0.00 0.71 0.00 0.00 56.30 57.14 2kvv h ASN 64 Cb 0.36 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.37 2kvv h ASN 64 CO 0.00 0.11 0.49 0.50 -1.29 0.00 0.00 177.43 177.25 2kvv h LYS 65 N 0.28 0.84 -0.21 6.67 3.64 -1.45 -0.14 116.57 126.20 2kvv h LYS 65 Ca 0.17 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kvv h LYS 65 Cb 0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kvv h LYS 65 CO -0.17 0.56 0.12 0.35 -2.27 0.00 0.00 179.45 178.03 2kvv h PHE 66 N 0.87 0.28 0.22 1.91 3.57 -0.06 0.89 116.94 124.62 2kvv h PHE 66 Ca 0.38 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2kvv h PHE 66 Cb 0.26 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2kvv h PHE 66 CO -0.05 0.25 -0.10 0.82 -2.23 0.00 0.00 178.31 177.00 2kvv h ILE 67 N 0.23 0.80 0.00 1.41 2.04 -0.77 -2.81 117.51 118.42 2kvv h ILE 67 Ca 0.07 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2kvv h ILE 67 Cb 0.06 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2kvv h ILE 67 CO -0.01 0.02 -0.17 0.03 0.00 0.00 0.00 178.15 178.02 2kvv h ARG 68 N -0.34 0.00 0.19 2.37 2.47 -0.99 -0.99 114.38 117.09 2kvv h ARG 68 Ca -0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2kvv h ARG 68 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2kvv h ARG 68 CO 0.05 0.17 -0.09 0.22 0.56 0.00 0.00 179.97 180.88 2kvv h ASP 69 N 0.00 -0.22 0.00 7.04 3.58 -0.57 -2.74 116.42 123.51 2kvv h ASP 69 Ca -0.00 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 2kvv h ASP 69 Cb 0.45 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2kvv h ASP 69 CO 0.02 0.07 -0.34 -1.28 -2.88 0.00 0.00 179.24 174.83 2kvv h SER 70 N -0.52 0.00 -0.19 2.28 0.87 -1.42 -3.40 113.55 111.18 2kvv h SER 70 Ca -0.03 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.00 2kvv h SER 70 Cb 0.39 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2kvv h SER 70 CO 0.04 0.95 0.03 -0.07 -0.53 0.00 0.00 176.83 177.25 2kvv h LEU 71 N -1.00 0.30 0.62 2.23 4.07 -1.35 -3.46 115.31 116.71 2kvv h LEU 71 Ca -0.08 -0.27 -0.27 0.00 0.08 0.00 0.00 57.88 57.35 2kvv h LEU 71 Cb 0.75 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 42.31 2kvv h LEU 71 CO -0.05 0.49 -0.24 -0.62 -1.08 0.00 0.00 178.44 176.95 2kvv n GLU 72 N -4.75 -1.54 -2.44 1.13 1.02 -1.03 -4.95 120.64 108.08 2kvv n GLU 72 Ca -0.04 0.95 -0.40 0.00 -0.02 0.00 0.00 57.16 57.65 2kvv n GLU 72 Cb 0.19 -5.30 -0.04 0.00 -0.02 0.00 0.00 31.44 26.27 2kvv n GLU 72 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kvv s HIS 73 N -2.16 3.45 0.97 -0.32 2.46 -1.26 -4.99 115.29 113.44 2kvv s HIS 73 Ca 0.00 1.66 -0.14 0.00 0.47 0.00 0.00 55.06 57.05 2kvv s HIS 73 Cb 0.00 -3.30 0.01 0.00 -0.13 0.00 0.00 32.58 29.15 2kvv s HIS 73 CO 0.00 -0.73 0.13 -2.39 -2.47 0.00 0.00 174.74 169.28 2kvv n HIS 74 N 0.88 -2.11 -1.71 3.88 1.44 -1.26 -4.85 115.22 111.48 2kvv n HIS 74 Ca 0.00 0.19 -0.43 0.00 -2.01 0.00 0.00 57.72 55.47 2kvv n HIS 74 Cb 0.45 -1.70 -0.01 0.00 0.12 0.00 0.00 29.99 28.85 2kvv n HIS 74 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kvv n HIS 75 N -3.47 2.46 -3.64 -1.40 8.25 -1.26 -4.98 115.22 111.17 2kvv n HIS 75 Ca 0.05 0.43 -0.34 0.00 -0.26 0.00 0.00 57.72 57.60 2kvv n HIS 75 Cb 0.55 -2.49 -0.05 0.00 1.12 0.00 0.00 29.99 29.12 2kvv n HIS 75 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kvv s HIS 76 N -0.50 3.55 -0.14 4.41 3.76 -1.26 -5.09 115.29 120.01 2kvv s HIS 76 Ca 0.61 0.67 -0.08 0.00 -0.15 0.00 0.00 55.06 56.12 2kvv s HIS 76 Cb -0.57 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 2kvv s HIS 76 CO 0.55 0.51 0.14 -1.58 -0.85 0.00 0.00 174.74 173.51 2kvv s HIS 77 N -1.46 3.55 0.00 1.40 2.46 -1.26 -5.26 115.29 114.72 2kvv s HIS 77 Ca 0.34 0.48 0.00 0.00 0.47 0.00 0.00 55.06 56.35 2kvv s HIS 77 Cb -0.13 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 2kvv s HIS 77 CO 0.20 0.64 0.00 1.58 -2.47 0.00 0.00 174.74 174.69