#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr h GLN 2 N 0.00 0.23 -0.85 0.54 3.07 -2.05 -3.27 115.11 112.79 2kvr h GLN 2 Ca 0.00 -0.13 0.13 0.00 0.09 0.00 0.00 58.65 58.75 2kvr h GLN 2 Cb 0.00 0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 2kvr h GLN 2 CO 0.00 0.66 0.55 -0.56 0.09 0.00 0.00 178.83 179.57 2kvr h GLN 3 N 0.19 0.64 -0.15 0.06 -0.00 -2.05 0.19 115.11 113.99 2kvr h GLN 3 Ca 0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2kvr h GLN 3 Cb 0.91 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 28.24 2kvr h GLN 3 CO 0.07 0.42 0.03 1.25 -0.00 0.00 0.00 178.83 180.61 2kvr h LEU 4 N 0.66 0.24 0.00 0.06 5.85 -2.01 -1.98 115.31 118.13 2kvr h LEU 4 Ca 0.42 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2kvr h LEU 4 Cb 0.67 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2kvr h LEU 4 CO -0.18 0.44 -0.66 1.62 -0.34 0.00 0.00 178.44 179.31 2kvr h VAL 5 N 0.04 0.50 -0.07 1.05 3.04 -1.66 -3.32 116.25 115.82 2kvr h VAL 5 Ca 0.05 -1.76 -0.02 0.00 -1.01 0.00 0.00 66.70 63.95 2kvr h VAL 5 Cb 0.29 2.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2kvr h VAL 5 CO 0.00 0.28 -0.06 -0.08 -1.01 0.00 0.00 177.57 176.71 2kvr h GLU 6 N 0.00 0.16 -0.38 4.17 4.81 -0.47 -1.50 114.58 121.36 2kvr h GLU 6 Ca -0.04 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2kvr h GLU 6 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2kvr h GLU 6 CO 0.04 0.58 0.09 0.07 -0.73 0.00 0.00 179.01 179.06 2kvr h ARG 7 N -0.26 0.56 0.42 1.92 -0.00 -1.53 -1.01 114.38 114.47 2kvr h ARG 7 Ca 0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.98 59.88 2kvr h ARG 7 Cb 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.42 2kvr h ARG 7 CO 0.01 0.52 -0.20 1.25 -0.00 0.00 0.00 179.97 181.55 2kvr h LEU 8 N 0.55 -0.47 -0.59 0.08 6.46 -1.62 -2.51 115.31 117.21 2kvr h LEU 8 Ca 0.13 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2kvr h LEU 8 Cb 0.21 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2kvr h LEU 8 CO -0.00 -0.33 0.36 1.56 -0.62 0.00 0.00 178.44 179.40 2kvr h GLN 9 N -0.57 0.79 -0.69 1.25 4.20 -0.89 -0.29 115.11 118.91 2kvr h GLN 9 Ca -0.06 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 2kvr h GLN 9 Cb 0.44 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2kvr h GLN 9 CO 0.09 0.56 0.33 1.49 -0.67 0.00 0.00 178.83 180.63 2kvr h GLU 10 N 0.79 0.99 0.06 1.46 4.22 -1.13 -2.80 114.58 118.17 2kvr h GLU 10 Ca 0.21 -0.14 -0.32 0.00 0.08 0.00 0.00 59.36 59.20 2kvr h GLU 10 Cb -0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2kvr h GLU 10 CO -0.04 0.77 -1.76 1.05 -2.18 0.00 0.00 179.01 176.85 2kvr h GLU 11 N 0.98 0.13 0.00 1.92 4.11 -1.34 -3.38 114.58 116.99 2kvr h GLU 11 Ca 0.24 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2kvr h GLU 11 Cb 0.11 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kvr h GLU 11 CO -0.03 0.84 0.00 1.57 0.07 0.00 0.00 179.01 181.46 2kvr h LYS 12 N 0.03 0.00 -0.02 1.06 2.10 -0.79 -3.22 116.57 115.73 2kvr h LYS 12 Ca -0.32 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.34 2kvr h LYS 12 Cb 2.01 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.34 2kvr h LYS 12 CO 0.10 0.00 0.58 0.07 -2.00 0.00 0.00 179.45 178.19 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 0.11 -1.70 -0.68 114.38 112.18 2kvr h ARG 13 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kvr h ARG 13 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2kvr h ARG 13 CO 0.00 0.00 0.00 -0.84 0.10 0.00 0.00 179.97 179.23 2kvr h ILE 14 N 0.00 0.00 0.00 0.08 -2.65 -1.89 -3.01 117.51 110.04 2kvr h ILE 14 Ca 0.01 -0.22 -0.00 0.00 1.03 0.00 0.00 64.86 65.68 2kvr h ILE 14 Cb 1.17 0.95 -0.00 0.00 -2.05 0.00 0.00 36.82 36.89 2kvr h ILE 14 CO -0.00 0.00 -0.02 1.05 0.03 0.00 0.00 178.15 179.21 2kvr h GLU 15 N 0.00 0.00 -0.05 0.16 4.11 -1.43 -1.47 114.58 115.90 2kvr h GLU 15 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 2kvr h GLU 15 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kvr h GLU 15 CO 0.00 0.02 0.31 0.00 0.07 0.00 0.00 179.01 179.42 2kvr h ALA 16 N 1.98 1.41 0.00 1.06 0.00 -1.77 -1.83 119.26 120.10 2kvr h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kvr h ALA 16 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kvr h ALA 16 CO 0.00 -0.34 -0.71 0.00 0.00 0.00 0.00 179.25 178.20 2kvr n GLN 17 N -3.03 1.07 0.15 0.00 10.64 -0.97 -4.89 117.38 120.35 2kvr n GLN 17 Ca -0.01 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.28 2kvr n GLN 17 Cb 0.38 -0.86 0.06 0.00 -0.86 0.00 0.00 30.24 28.96 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2kvr h LYS 18 N 0.00 0.00 0.00 2.61 1.63 -1.17 -3.21 116.57 116.43 2kvr h LYS 18 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kvr h LYS 18 Cb 0.71 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2kvr h LYS 18 CO 0.00 0.01 0.00 -2.13 -3.45 0.00 0.00 179.45 173.88 2kvr n ARG 19 N -2.84 0.13 -0.23 1.90 3.00 -0.70 -3.89 116.66 114.04 2kvr n ARG 19 Ca 0.01 0.03 -0.05 0.00 -0.00 0.00 0.00 57.85 57.85 2kvr n ARG 19 Cb 0.55 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.56 2kvr n ARG 19 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2kvr h LYS 20 N 0.00 0.80 -2.21 -0.14 1.63 -1.75 -3.08 116.57 111.83 2kvr h LYS 20 Ca 0.00 -0.05 -0.59 0.00 -0.85 0.00 0.00 60.65 59.16 2kvr h LYS 20 Cb 0.39 -0.18 -0.16 0.00 -0.60 0.00 0.00 32.23 31.68 2kvr h LYS 20 CO 0.00 0.53 1.08 0.39 -3.45 0.00 0.00 179.45 178.00 2kvr n GLU 21 N -4.67 3.20 0.00 1.90 4.71 -1.25 -4.75 120.64 119.78 2kvr n GLU 21 Ca 0.06 -2.79 0.00 0.00 -0.01 0.00 0.00 57.16 54.42 2kvr n GLU 21 Cb 0.05 -2.31 0.00 0.00 -1.01 0.00 0.00 31.44 28.17 2kvr n GLU 21 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 2kvr n ARG 22 N 1.10 0.84 -4.47 3.49 1.85 -1.17 -4.80 116.66 113.50 2kvr n ARG 22 Ca 0.53 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 57.16 2kvr n ARG 22 Cb 0.44 -1.20 -0.10 0.00 -1.05 0.00 0.00 32.46 30.55 2kvr n ARG 22 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2kvr s GLN 23 N -1.53 1.64 -0.37 2.89 -0.21 -1.26 -4.99 119.66 115.83 2kvr s GLN 23 Ca 0.00 -1.84 -0.28 0.00 0.02 0.00 0.00 55.36 53.26 2kvr s GLN 23 Cb 0.00 -1.32 -0.02 0.00 1.00 0.00 0.00 33.01 32.67 2kvr s GLN 23 CO 0.00 0.06 1.81 -1.21 -2.12 0.00 0.00 175.29 173.83 2kvr s GLU 24 N -3.69 3.24 0.00 2.91 8.01 -1.26 -4.87 118.70 123.03 2kvr s GLU 24 Ca 0.31 1.33 0.00 0.00 0.01 0.00 0.00 54.97 56.61 2kvr s GLU 24 Cb 0.04 -4.22 0.00 0.00 -4.31 0.00 0.00 34.13 25.63 2kvr s GLU 24 CO 0.13 -1.97 0.00 0.00 0.01 0.00 0.00 175.26 173.43 2kvr n ALA 25 N 10.63 0.00 0.89 5.21 0.00 -1.26 -5.01 120.51 130.96 2kvr n ALA 25 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.73 2kvr n ALA 25 Cb 0.48 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.28 2kvr n ALA 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kvr n HIS 26 N 0.00 0.00 0.65 0.00 1.44 -1.26 -3.67 115.22 112.38 2kvr n HIS 26 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kvr n HIS 26 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 2kvr n HIS 26 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kvr n LEU 27 N -0.92 2.24 -0.78 2.39 7.99 -1.26 -4.58 117.00 122.08 2kvr n LEU 27 Ca 0.09 -1.14 0.00 0.00 -0.01 0.00 0.00 56.01 54.95 2kvr n LEU 27 Cb 0.04 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 42.81 2kvr n LEU 27 CO 0.07 0.38 0.14 -1.22 -1.51 0.00 0.00 177.39 175.24 2kvr n TYR 28 N 0.13 0.00 -1.19 -1.77 4.02 -1.24 -1.09 117.16 116.02 2kvr n TYR 28 Ca 0.06 -0.10 -0.46 0.00 -0.01 0.00 0.00 57.90 57.39 2kvr n TYR 28 Cb 0.48 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.64 2kvr n TYR 28 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 2kvr n MET 29 N 0.60 0.00 -3.15 -0.72 0.00 0.05 -2.62 117.12 111.28 2kvr n MET 29 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.31 2kvr n MET 29 Cb 0.14 -1.15 -0.06 0.00 0.00 0.00 0.00 33.22 32.15 2kvr n MET 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2kvr s GLN 30 N -0.11 4.36 -0.18 2.12 1.11 -1.26 -1.95 119.66 123.75 2kvr s GLN 30 Ca 0.70 0.84 0.01 0.00 0.01 0.00 0.00 55.36 56.92 2kvr s GLN 30 Cb -0.98 -3.32 0.03 0.00 -1.01 0.00 0.00 33.01 27.73 2kvr s GLN 30 CO 0.46 0.41 -0.15 0.54 0.01 0.00 0.00 175.29 176.56 2kvr s VAL 31 N -0.39 1.79 -0.83 1.09 0.11 -0.63 -2.35 120.40 119.19 2kvr s VAL 31 Ca 0.33 -0.90 -0.23 0.00 -2.93 0.00 0.00 61.98 58.25 2kvr s VAL 31 Cb -0.19 -1.72 0.07 0.00 -1.53 0.00 0.00 36.38 33.01 2kvr s VAL 31 CO 0.19 0.37 1.20 -1.10 -3.33 0.00 0.00 175.10 172.44 2kvr s GLN 32 N 1.37 3.36 0.06 1.54 -0.21 0.17 -2.50 119.66 123.46 2kvr s GLN 32 Ca 0.02 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.26 2kvr s GLN 32 Cb -0.14 -4.65 -0.07 0.00 1.00 0.00 0.00 33.01 29.15 2kvr s GLN 32 CO -0.10 -1.99 0.55 0.42 -2.12 0.00 0.00 175.29 172.05 2kvr s ILE 33 N 4.41 4.78 -0.04 1.08 -1.09 0.11 -1.14 121.20 129.31 2kvr s ILE 33 Ca 0.34 1.17 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 2kvr s ILE 33 Cb -0.08 -3.88 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2kvr s ILE 33 CO 0.02 0.56 -0.04 0.68 -1.23 0.00 0.00 174.94 174.93 2kvr s VAL 34 N -1.09 0.48 -0.28 2.92 -7.23 -0.91 -1.75 120.40 112.55 2kvr s VAL 34 Ca 0.28 -0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 60.10 2kvr s VAL 34 Cb -0.19 -0.51 0.10 0.00 0.56 0.00 0.00 36.38 36.34 2kvr s VAL 34 CO 0.18 0.20 0.87 0.00 -0.31 0.00 0.00 175.10 176.05 2kvr s ALA 35 N 0.80 -1.91 -0.66 1.32 0.00 -1.26 -1.32 121.76 118.74 2kvr s ALA 35 Ca -0.10 2.01 -0.16 0.00 0.00 0.00 0.00 51.96 53.70 2kvr s ALA 35 Cb -0.13 -1.35 0.15 0.00 0.00 0.00 0.00 23.12 21.78 2kvr s ALA 35 CO 0.00 -0.30 0.67 -2.00 0.00 0.00 0.00 175.76 174.13 2kvr s GLU 36 N 0.49 3.22 0.00 0.00 2.12 -1.26 -4.75 118.70 118.52 2kvr s GLU 36 Ca -0.00 -1.83 0.24 0.00 0.36 0.00 0.00 54.97 53.74 2kvr s GLU 36 Cb -0.05 -4.37 1.31 0.00 0.26 0.00 0.00 34.13 31.29 2kvr s GLU 36 CO -0.05 -1.40 1.81 -3.47 -0.54 0.00 0.00 175.26 171.60 2kvr n ASP 37 N 5.25 0.00 -0.22 -1.70 2.03 -0.07 -3.07 116.55 118.77 2kvr n ASP 37 Ca -0.03 -0.35 -0.06 0.00 0.52 0.00 0.00 54.79 54.87 2kvr n ASP 37 Cb 0.43 -0.17 0.10 0.00 -0.72 0.00 0.00 41.12 40.76 2kvr n ASP 37 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2kvr h GLN 38 N 0.00 1.06 -0.60 -0.67 5.75 -1.77 0.42 115.11 119.29 2kvr h GLN 38 Ca 0.00 -0.23 -0.10 0.00 -0.15 0.00 0.00 58.65 58.17 2kvr h GLN 38 Cb 0.13 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2kvr h GLN 38 CO 0.00 0.92 0.01 0.74 -2.65 0.00 0.00 178.83 177.85 2kvr h PHE 39 N 1.01 1.16 0.00 3.99 0.04 -1.89 -3.40 116.94 117.85 2kvr h PHE 39 Ca 0.22 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2kvr h PHE 39 Cb 0.32 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2kvr h PHE 39 CO 0.02 1.02 0.00 0.00 -0.60 0.00 0.00 178.31 178.75 2kvr s GLY 41 N -1.05 1.59 -0.03 0.00 0.00 0.15 -5.04 107.32 102.94 2kvr s GLY 41 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.32 2kvr s GLY 41 CO 0.00 0.28 0.37 0.30 0.00 0.00 0.00 173.10 174.05 2kvr s HIS 42 N -3.01 3.69 -0.85 1.90 0.09 -1.26 -4.48 115.29 111.36 2kvr s HIS 42 Ca 0.64 0.92 -0.20 0.00 -0.00 0.00 0.00 55.06 56.41 2kvr s HIS 42 Cb -0.17 -2.26 -0.21 0.00 -0.00 0.00 0.00 32.58 29.94 2kvr s HIS 42 CO 0.56 0.62 2.34 0.00 -0.00 0.00 0.00 174.74 178.26 2kvr n GLN 43 N 2.00 0.37 -0.08 1.40 10.64 -1.26 -4.71 117.38 125.73 2kvr n GLN 43 Ca -0.14 -0.47 -0.11 0.00 -1.83 0.00 0.00 57.00 54.45 2kvr n GLN 43 Cb 0.53 -2.66 -0.15 0.00 -0.86 0.00 0.00 30.24 27.10 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kvr n GLY 44 N 6.29 -0.93 3.63 2.61 0.00 -1.26 -4.91 105.19 110.63 2kvr n GLY 44 Ca 0.55 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2kvr n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kvr s ASN 45 N -5.80 6.80 -0.13 1.61 -0.87 -1.26 -4.91 114.94 110.39 2kvr s ASN 45 Ca -0.11 0.91 -0.08 0.00 -1.57 0.00 0.00 52.86 52.01 2kvr s ASN 45 Cb 0.07 -2.45 -0.26 0.00 -0.02 0.00 0.00 41.25 38.59 2kvr s ASN 45 CO 0.81 -0.65 0.35 0.47 -2.57 0.00 0.00 177.10 175.51 2kvr n ASP 46 N 6.29 2.11 -4.23 -1.22 8.00 -1.26 -4.84 116.55 121.41 2kvr n ASP 46 Ca 0.07 0.22 -0.24 0.00 0.71 0.00 0.00 54.79 55.54 2kvr n ASP 46 Cb 0.48 -0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 40.57 2kvr n ASP 46 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2kvr s MET 47 N -2.54 1.28 -0.61 -1.24 -1.94 -1.26 -4.89 119.30 108.10 2kvr s MET 47 Ca -0.23 -0.90 -0.08 0.00 -1.71 0.00 0.00 55.69 52.77 2kvr s MET 47 Cb 0.07 -1.38 0.01 0.00 2.01 0.00 0.00 34.83 35.54 2kvr s MET 47 CO 0.75 0.35 0.65 0.98 -0.01 0.00 0.00 175.02 177.75 2kvr n TYR 48 N 1.85 -3.14 -2.03 -0.03 4.19 -1.26 -4.83 117.16 111.91 2kvr n TYR 48 Ca -0.17 1.23 -0.30 0.00 3.31 0.00 0.00 57.90 61.97 2kvr n TYR 48 Cb 0.54 -3.96 -0.04 0.00 0.49 0.00 0.00 39.34 36.36 2kvr n TYR 48 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2kvr s ASP 49 N -2.79 5.14 0.58 2.98 1.11 -1.26 -4.80 116.67 117.64 2kvr s ASP 49 Ca 0.11 -0.30 0.39 0.00 0.18 0.00 0.00 52.55 52.93 2kvr s ASP 49 Cb -0.03 -2.55 1.98 0.00 1.07 0.00 0.00 42.92 43.39 2kvr s ASP 49 CO 0.77 -2.66 2.17 -0.33 1.18 0.00 0.00 175.17 176.31 2kvr h GLU 50 N 12.64 0.00 0.00 8.23 5.08 -1.94 0.35 114.58 138.94 2kvr h GLU 50 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2kvr h GLU 50 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2kvr h GLU 50 CO 1.21 0.00 -0.49 0.93 -1.00 0.00 0.00 179.01 179.66 2kvr h GLU 51 N 0.00 0.00 -0.46 2.33 5.08 -1.92 -3.36 114.58 116.26 2kvr h GLU 51 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2kvr h GLU 51 Cb 0.14 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.98 2kvr h GLU 51 CO 0.00 0.49 -1.10 1.17 -1.00 0.00 0.00 179.01 178.57 2kvr n LYS 52 N -3.28 1.87 -1.13 2.33 3.00 -0.30 -0.89 118.16 119.76 2kvr n LYS 52 Ca 0.02 -3.56 -0.29 0.00 -0.00 0.00 0.00 58.31 54.48 2kvr n LYS 52 Cb 0.70 -1.66 0.18 0.00 0.00 0.00 0.00 35.03 34.25 2kvr n LYS 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2kvr s VAL 53 N -3.86 2.13 0.24 3.15 -7.23 0.11 -4.85 120.40 110.09 2kvr s VAL 53 Ca 0.29 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.46 2kvr s VAL 53 Cb 0.33 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.82 2kvr s VAL 53 CO -0.03 -0.06 0.14 2.29 -0.31 0.00 0.00 175.10 177.13 2kvr n LYS 54 N -4.20 -2.35 -1.46 4.82 0.00 -1.26 -4.79 118.16 108.91 2kvr n LYS 54 Ca 0.05 -0.23 -0.47 0.00 -0.00 0.00 0.00 58.31 57.66 2kvr n LYS 54 Cb 0.57 -0.31 -0.08 0.00 -0.00 0.00 0.00 35.03 35.21 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kvr n TYR 55 N -3.43 1.41 -2.49 5.58 4.01 -1.26 -4.92 117.16 116.06 2kvr n TYR 55 Ca 0.02 0.28 -0.41 0.00 -0.16 0.00 0.00 57.90 57.63 2kvr n TYR 55 Cb 0.10 -2.52 -0.04 0.00 -0.31 0.00 0.00 39.34 36.57 2kvr n TYR 55 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kvr s THR 56 N 8.30 3.80 -0.01 -0.72 2.01 -0.72 -4.95 115.64 123.36 2kvr s THR 56 Ca 1.12 1.55 0.00 0.00 0.31 0.00 0.00 61.69 64.67 2kvr s THR 56 Cb -0.83 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 67.70 2kvr s THR 56 CO 0.46 0.27 -0.01 0.54 -0.69 0.00 0.00 174.62 175.19 2kvr s VAL 57 N -0.23 0.09 -0.03 3.82 0.11 -1.26 0.05 120.40 122.95 2kvr s VAL 57 Ca 0.50 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.62 2kvr s VAL 57 Cb -0.30 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2kvr s VAL 57 CO 0.35 0.06 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.58 2kvr s PHE 58 N 0.28 2.23 -0.41 1.54 0.08 -1.04 -4.96 117.98 115.69 2kvr s PHE 58 Ca -0.02 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.39 2kvr s PHE 58 Cb -0.04 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 41.01 2kvr s PHE 58 CO -0.01 -0.10 0.28 -1.59 -0.10 0.00 0.00 175.22 173.70 2kvr s LYS 59 N -0.41 2.82 0.11 0.44 0.00 -1.26 -1.61 119.74 119.83 2kvr s LYS 59 Ca 0.05 -1.24 0.01 0.00 0.00 0.00 0.00 55.97 54.79 2kvr s LYS 59 Cb -0.11 -3.87 -0.04 0.00 0.00 0.00 0.00 37.83 33.80 2kvr s LYS 59 CO 0.01 -0.86 -0.04 0.14 0.00 0.00 0.00 175.35 174.61 2kvr s VAL 60 N 1.56 0.58 -0.09 1.79 -7.23 -0.82 -4.88 120.40 111.31 2kvr s VAL 60 Ca 0.03 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 2kvr s VAL 60 Cb -0.21 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 2kvr s VAL 60 CO 0.06 -0.77 1.82 -0.76 -0.31 0.00 0.00 175.10 175.15 2kvr s LEU 61 N -3.06 4.14 0.49 1.32 2.01 -1.23 -0.77 118.68 121.57 2kvr s LEU 61 Ca 0.15 2.19 0.14 0.00 0.01 0.00 0.00 54.13 56.62 2kvr s LEU 61 Cb 0.06 -3.53 1.15 0.00 0.01 0.00 0.00 46.19 43.88 2kvr s LEU 61 CO -0.03 -1.19 2.10 0.07 1.01 0.00 0.00 176.35 178.32 2kvr h LYS 62 N 10.92 0.17 -0.02 1.70 2.10 -1.42 -1.35 116.57 128.67 2kvr h LYS 62 Ca -0.42 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2kvr h LYS 62 Cb 1.20 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2kvr h LYS 62 CO 0.96 0.11 -0.12 0.27 -2.00 0.00 0.00 179.45 178.67 2kvr n ASN 63 N -4.51 1.80 -4.77 7.07 0.23 -1.26 -0.91 115.26 112.91 2kvr n ASN 63 Ca 0.00 -1.47 -0.33 0.00 -0.53 0.00 0.00 54.58 52.25 2kvr n ASN 63 Cb 0.14 0.09 0.06 0.00 -2.08 0.00 0.00 39.78 37.99 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2kvr s SER 64 N -2.18 4.98 0.39 0.53 0.15 -0.51 -4.68 113.70 112.38 2kvr s SER 64 Ca 0.30 1.98 -0.26 0.00 0.70 0.00 0.00 55.95 58.68 2kvr s SER 64 Cb 0.20 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.88 2kvr s SER 64 CO 0.40 -1.71 1.21 -0.44 1.20 0.00 0.00 173.24 173.89 2kvr s SER 65 N -2.69 6.52 0.51 5.45 0.01 -1.26 -1.26 113.70 120.98 2kvr s SER 65 Ca 0.66 2.44 0.20 0.00 1.31 0.00 0.00 55.95 60.56 2kvr s SER 65 Cb -0.20 -2.62 1.32 0.00 0.21 0.00 0.00 66.02 64.72 2kvr s SER 65 CO 0.44 -0.69 2.11 0.25 0.41 0.00 0.00 173.24 175.76 2kvr h LEU 66 N 2.75 0.00 -1.18 2.44 7.12 -1.39 -1.33 115.31 123.71 2kvr h LEU 66 Ca -0.49 0.00 0.06 0.00 0.13 0.00 0.00 57.88 57.58 2kvr h LEU 66 Cb 1.24 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.31 2kvr h LEU 66 CO 0.63 0.08 0.57 0.00 -0.13 0.00 0.00 178.44 179.59 2kvr h ALA 67 N 1.92 1.54 -0.41 1.25 0.00 -1.77 0.47 119.26 122.26 2kvr h ALA 67 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2kvr h ALA 67 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2kvr h ALA 67 CO 0.01 0.33 -0.19 0.93 0.00 0.00 0.00 179.25 180.33 2kvr h GLU 68 N 0.99 0.79 -0.46 0.00 5.08 -1.62 -2.13 114.58 117.24 2kvr h GLU 68 Ca 0.38 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2kvr h GLU 68 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2kvr h GLU 68 CO -0.14 0.92 -0.17 0.35 -1.00 0.00 0.00 179.01 178.97 2kvr h PHE 69 N 0.70 1.01 0.18 4.33 3.57 -1.25 -2.84 116.94 122.64 2kvr h PHE 69 Ca 0.10 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2kvr h PHE 69 Cb 0.70 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2kvr h PHE 69 CO 0.04 0.99 -0.09 0.28 -2.23 0.00 0.00 178.31 177.31 2kvr h VAL 70 N 0.79 0.92 -0.73 1.41 2.07 -0.76 -1.68 116.25 118.26 2kvr h VAL 70 Ca 0.12 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2kvr h VAL 70 Cb 0.71 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2kvr h VAL 70 CO 0.05 0.11 0.48 0.06 0.02 0.00 0.00 177.57 178.30 2kvr h GLN 71 N -0.47 0.90 0.68 1.57 3.07 -1.44 0.51 115.11 119.93 2kvr h GLN 71 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2kvr h GLN 71 Cb 0.36 -0.20 0.01 0.00 0.08 0.00 0.00 27.48 27.73 2kvr h GLN 71 CO 0.04 0.60 -0.33 0.77 0.09 0.00 0.00 178.83 180.00 2kvr h SER 72 N 0.93 -0.78 0.05 0.06 0.02 -1.46 -2.80 113.55 109.57 2kvr h SER 72 Ca 0.28 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2kvr h SER 72 Cb -0.01 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2kvr h SER 72 CO -0.07 -0.46 -0.02 0.25 -1.14 0.00 0.00 176.83 175.39 2kvr h LEU 73 N -1.08 0.00 -0.08 5.07 6.46 -0.77 -0.13 115.31 124.77 2kvr h LEU 73 Ca -0.09 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.57 2kvr h LEU 73 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2kvr h LEU 73 CO 0.15 0.02 -0.32 -1.28 -0.62 0.00 0.00 178.44 176.40 2kvr h SER 74 N 0.00 0.42 1.44 1.25 0.87 -0.91 -2.37 113.55 114.25 2kvr h SER 74 Ca -0.00 -0.63 -0.04 0.00 -1.23 0.00 0.00 61.79 59.89 2kvr h SER 74 Cb 0.05 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2kvr h SER 74 CO 0.00 0.98 -0.58 1.56 -0.53 0.00 0.00 176.83 178.27 2kvr h GLN 75 N -0.11 0.00 0.18 2.24 1.08 -1.12 0.28 115.11 117.66 2kvr h GLN 75 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2kvr h GLN 75 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2kvr h GLN 75 CO 0.07 0.13 -0.09 1.15 -0.95 0.00 0.00 178.83 179.14 2kvr h THR 76 N 0.00 0.93 0.00 -0.54 2.02 -1.07 -3.37 112.91 110.88 2kvr h THR 76 Ca -0.02 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2kvr h THR 76 Cb 1.15 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2kvr h THR 76 CO 0.02 0.16 -1.71 0.23 0.37 0.00 0.00 175.52 174.59 2kvr n MET 77 N -5.04 0.63 -0.40 6.66 2.81 -0.89 -4.99 117.12 115.90 2kvr n MET 77 Ca -0.09 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 2kvr n MET 77 Cb 0.23 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2kvr n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kvr n GLY 78 N 1.43 0.71 3.77 3.03 0.00 0.06 -4.84 105.19 109.35 2kvr n GLY 78 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2kvr n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvr s PHE 79 N -2.67 2.73 -0.03 1.61 0.40 -1.04 -4.96 117.98 114.02 2kvr s PHE 79 Ca 0.00 1.52 -0.30 0.00 -0.60 0.00 0.00 56.93 57.55 2kvr s PHE 79 Cb 0.00 -3.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.07 2kvr s PHE 79 CO 0.00 -1.72 1.44 -1.25 0.70 0.00 0.00 175.22 174.40 2kvr s PRO 80 N -2.91 4.25 0.42 0.24 0.04 -1.26 -4.45 135.00 131.33 2kvr s PRO 80 Ca 0.68 1.98 0.13 0.00 0.04 0.00 0.00 61.00 63.84 2kvr s PRO 80 Cb -0.29 -3.69 0.91 0.00 0.04 0.00 0.00 34.50 31.47 2kvr s PRO 80 CO 0.34 -0.66 1.94 -0.56 0.04 0.00 0.00 177.00 178.11 2kvr h GLN 81 N 8.26 0.03 0.00 4.56 3.07 -1.90 0.37 115.11 129.50 2kvr h GLN 81 Ca -0.37 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.32 2kvr h GLN 81 Cb 1.17 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 2kvr h GLN 81 CO 0.92 0.25 -0.23 0.22 0.09 0.00 0.00 178.83 180.08 2kvr h ASP 82 N 0.03 0.00 0.00 0.06 3.58 -1.97 -3.29 116.42 114.83 2kvr h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kvr h ASP 82 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2kvr h ASP 82 CO 0.03 0.23 0.00 1.67 -2.88 0.00 0.00 179.24 178.29 2kvr n GLN 83 N -3.64 0.99 -1.59 0.28 7.27 -0.80 -5.05 117.38 114.84 2kvr n GLN 83 Ca -0.01 -0.90 -0.50 0.00 0.07 0.00 0.00 57.00 55.66 2kvr n GLN 83 Cb 0.36 -0.89 -0.06 0.00 2.41 0.00 0.00 30.24 32.06 2kvr n GLN 83 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2kvr n ILE 84 N -0.22 0.36 -3.64 1.69 5.41 0.05 -4.79 119.36 118.22 2kvr n ILE 84 Ca 0.00 -0.19 -0.39 0.00 1.00 0.00 0.00 62.75 63.17 2kvr n ILE 84 Cb 0.20 -1.74 -0.12 0.00 -0.71 0.00 0.00 39.64 37.27 2kvr n ILE 84 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2kvr s ARG 85 N 5.02 3.12 -0.01 0.38 0.52 -0.75 -4.96 118.95 122.28 2kvr s ARG 85 Ca 1.01 -0.87 -0.15 0.00 -0.52 0.00 0.00 55.73 55.20 2kvr s ARG 85 Cb -0.79 -3.61 -0.06 0.00 0.52 0.00 0.00 34.95 31.01 2kvr s ARG 85 CO 0.52 -0.53 0.41 -0.51 0.02 0.00 0.00 175.30 175.21 2kvr s LEU 86 N 1.58 4.46 -0.15 2.53 1.02 -1.26 -1.13 118.68 125.73 2kvr s LEU 86 Ca 0.03 0.95 -0.03 0.00 0.02 0.00 0.00 54.13 55.10 2kvr s LEU 86 Cb -0.18 -2.59 0.05 0.00 0.02 0.00 0.00 46.19 43.49 2kvr s LEU 86 CO 0.06 0.30 0.06 0.26 0.02 0.00 0.00 176.35 177.05 2kvr s TRP 87 N -0.94 0.51 0.90 0.29 0.52 -0.78 -2.19 118.94 117.25 2kvr s TRP 87 Ca 0.24 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.84 2kvr s TRP 87 Cb -0.17 -0.79 0.13 0.00 -1.15 0.00 0.00 33.47 31.49 2kvr s TRP 87 CO 0.13 -0.48 1.10 -1.25 0.02 0.00 0.00 176.95 176.47 2kvr s PRO 88 N 2.03 1.25 -1.04 4.98 0.04 -1.26 -0.29 135.00 140.71 2kvr s PRO 88 Ca 0.02 0.57 -0.26 0.00 0.04 0.00 0.00 61.00 61.37 2kvr s PRO 88 Cb -0.15 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 2kvr s PRO 88 CO -0.07 -2.18 2.12 0.00 0.04 0.00 0.00 177.00 176.90 2kvr s MET 89 N -5.09 1.63 -0.50 4.56 0.23 -0.58 -4.60 119.30 114.96 2kvr s MET 89 Ca 0.63 -0.41 0.07 0.00 -1.03 0.00 0.00 55.69 54.95 2kvr s MET 89 Cb -0.16 -5.01 0.20 0.00 -1.53 0.00 0.00 34.83 28.33 2kvr s MET 89 CO 0.55 -4.84 0.73 0.94 -2.03 0.00 0.00 175.02 170.38 2kvr n GLN 90 N 8.37 0.57 0.02 3.16 7.27 -1.26 -4.97 117.38 130.54 2kvr n GLN 90 Ca 0.43 -2.09 -0.22 0.00 0.07 0.00 0.00 57.00 55.19 2kvr n GLN 90 Cb 0.46 -1.48 -0.14 0.00 2.41 0.00 0.00 30.24 31.49 2kvr n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kvr h ALA 91 N 4.78 0.21 -6.04 1.69 0.00 -2.00 -3.44 119.26 114.45 2kvr h ALA 91 Ca 0.03 -1.14 -0.38 0.00 0.00 0.00 0.00 54.91 53.42 2kvr h ALA 91 Cb 1.07 0.51 0.11 0.00 0.00 0.00 0.00 17.79 19.48 2kvr h ALA 91 CO 0.13 0.93 -0.90 0.54 0.00 0.00 0.00 179.25 179.95 2kvr n ARG 92 N -3.81 -1.44 -1.21 0.00 5.12 -1.26 -4.62 116.66 109.44 2kvr n ARG 92 Ca -0.26 0.59 -0.23 0.00 -1.93 0.00 0.00 57.85 56.02 2kvr n ARG 92 Cb 0.95 -4.50 -0.11 0.00 -1.16 0.00 0.00 32.46 27.64 2kvr n ARG 92 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2kvr n SER 93 N -2.76 1.07 -3.69 0.55 2.88 -1.26 -4.76 113.62 105.65 2kvr n SER 93 Ca -0.09 -2.43 -0.10 0.00 -1.33 0.00 0.00 58.87 54.93 2kvr n SER 93 Cb 0.60 -1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 62.67 2kvr n SER 93 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2kvr s ASN 94 N 7.71 -0.59 0.61 -3.46 2.47 -1.26 -5.08 114.94 115.35 2kvr s ASN 94 Ca 0.74 1.01 0.35 0.00 0.42 0.00 0.00 52.86 55.37 2kvr s ASN 94 Cb 0.01 0.89 2.01 0.00 -1.45 0.00 0.00 41.25 42.72 2kvr s ASN 94 CO 0.23 -0.20 2.28 1.23 -3.72 0.00 0.00 177.10 176.93 2kvr h GLY 95 N 6.97 0.00 2.00 1.21 0.00 -1.97 -2.16 103.07 109.12 2kvr h GLY 95 Ca -0.35 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 2kvr h GLY 95 CO 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.56 2kvr h THR 96 N 0.00 0.73 -3.49 4.70 1.03 -1.98 -3.42 112.91 110.49 2kvr h THR 96 Ca -0.00 -1.04 -0.63 0.00 -0.01 0.00 0.00 66.41 64.73 2kvr h THR 96 Cb 0.03 1.65 -0.19 0.00 -1.07 0.00 0.00 68.15 68.57 2kvr h THR 96 CO 0.00 0.24 -0.59 -0.75 -0.01 0.00 0.00 175.52 174.41 2kvr s LYS 97 N -3.89 3.84 -0.31 0.00 2.36 -0.81 -5.08 119.74 115.84 2kvr s LYS 97 Ca -0.01 -0.40 -0.03 0.00 -2.55 0.00 0.00 55.97 52.98 2kvr s LYS 97 Cb 0.12 -3.28 0.05 0.00 -1.05 0.00 0.00 37.83 33.66 2kvr s LYS 97 CO 0.64 0.06 0.02 1.03 1.55 0.00 0.00 175.35 178.65 2kvr s ARG 98 N 0.97 2.46 0.61 4.03 3.00 -1.26 -4.78 118.95 123.98 2kvr s ARG 98 Ca 0.04 -1.26 -0.18 0.00 0.00 0.00 0.00 55.73 54.33 2kvr s ARG 98 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 34.95 31.55 2kvr s ARG 98 CO 0.03 -0.63 1.19 -1.25 0.00 0.00 0.00 175.30 174.64 2kvr s PRO 99 N 1.28 2.89 0.16 3.54 0.04 -1.26 -5.06 135.00 136.58 2kvr s PRO 99 Ca -0.04 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2kvr s PRO 99 Cb -0.20 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2kvr s PRO 99 CO -0.00 -1.26 0.28 0.00 0.04 0.00 0.00 177.00 176.06 2kvr s ALA 100 N -1.72 3.94 0.89 8.56 0.00 -1.26 -5.12 121.76 127.05 2kvr s ALA 100 Ca 0.76 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 2kvr s ALA 100 Cb -0.29 -1.75 0.13 0.00 0.00 0.00 0.00 23.12 21.21 2kvr s ALA 100 CO 0.35 0.52 1.17 0.00 0.00 0.00 0.00 175.76 177.79 2kvr s MET 101 N -3.28 1.26 0.44 0.00 0.23 -1.26 -4.82 119.30 111.87 2kvr s MET 101 Ca 0.34 0.14 -0.21 0.00 -1.03 0.00 0.00 55.69 54.93 2kvr s MET 101 Cb -0.11 -1.87 -0.10 0.00 -1.53 0.00 0.00 34.83 31.23 2kvr s MET 101 CO 0.28 -2.08 0.99 -0.51 -2.03 0.00 0.00 175.02 171.67 2kvr s LEU 102 N -5.91 3.96 -0.64 0.18 2.01 -0.93 -5.02 118.68 112.33 2kvr s LEU 102 Ca 0.65 1.83 -0.21 0.00 0.01 0.00 0.00 54.13 56.41 2kvr s LEU 102 Cb -0.12 -4.47 0.09 0.00 0.01 0.00 0.00 46.19 41.70 2kvr s LEU 102 CO 0.52 -0.51 0.85 -1.81 1.01 0.00 0.00 176.35 176.41 2kvr s ASP 103 N -2.00 6.21 0.20 2.29 1.01 -1.26 -4.80 116.67 118.32 2kvr s ASP 103 Ca 0.63 -1.27 0.13 0.00 0.71 0.00 0.00 52.55 52.74 2kvr s ASP 103 Cb -0.14 -2.36 0.71 0.00 1.01 0.00 0.00 42.92 42.15 2kvr s ASP 103 CO 0.18 -1.26 1.40 -3.20 0.21 0.00 0.00 175.17 172.50 2kvr n ASN 104 N 6.96 0.34 0.06 0.27 4.05 -1.26 -0.37 115.26 125.31 2kvr n ASN 104 Ca -0.05 0.66 -0.10 0.00 0.45 0.00 0.00 54.58 55.54 2kvr n ASN 104 Cb 0.44 -0.70 -0.07 0.00 1.23 0.00 0.00 39.78 40.68 2kvr n ASN 104 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 2kvr h GLU 105 N 0.00 -0.24 0.62 1.20 4.57 -1.95 -2.06 114.58 116.72 2kvr h GLU 105 Ca 0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2kvr h GLU 105 Cb 0.00 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2kvr h GLU 105 CO 0.00 0.14 -0.36 0.00 -1.18 0.00 0.00 179.01 177.61 2kvr h ALA 106 N -0.49 -1.19 -0.55 2.92 0.00 -0.97 -3.08 119.26 115.90 2kvr h ALA 106 Ca -0.03 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 2kvr h ALA 106 Cb 0.49 0.46 -0.16 0.00 0.00 0.00 0.00 17.79 18.58 2kvr h ALA 106 CO 0.04 -1.15 0.46 -0.40 0.00 0.00 0.00 179.25 178.20 2kvr n ASP 107 N -4.68 6.09 0.00 0.00 5.68 -0.09 -2.33 116.55 121.22 2kvr n ASP 107 Ca -0.11 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 51.06 2kvr n ASP 107 Cb 0.38 -0.99 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 2kvr n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kvr n GLY 108 N 0.08 -0.35 0.00 6.12 0.00 -0.77 -4.34 105.19 105.92 2kvr n GLY 108 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kvr n GLY 108 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kvr n ASN 109 N -0.08 4.03 -3.00 1.61 5.15 -0.98 -4.41 115.26 117.58 2kvr n ASN 109 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 2kvr n ASN 109 Cb 0.12 0.27 -0.01 0.00 -0.53 0.00 0.00 39.78 39.64 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2kvr n LYS 110 N -2.01 1.30 -2.22 1.20 -0.00 -1.15 -4.92 118.16 110.36 2kvr n LYS 110 Ca 0.00 -1.26 -0.32 0.00 -0.00 0.00 0.00 58.31 56.74 2kvr n LYS 110 Cb 0.43 0.19 -0.02 0.00 -0.00 0.00 0.00 35.03 35.64 2kvr n LYS 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2kvr s THR 111 N -1.15 4.53 -1.95 0.58 -4.23 -1.26 -1.15 115.64 111.01 2kvr s THR 111 Ca 0.08 1.10 0.29 0.00 -1.18 0.00 0.00 61.69 61.98 2kvr s THR 111 Cb -0.01 -3.73 0.57 0.00 1.34 0.00 0.00 72.50 70.67 2kvr s THR 111 CO 0.05 -0.80 1.90 1.15 -0.54 0.00 0.00 174.62 176.37 2kvr n MET 112 N -1.95 1.02 0.17 3.99 0.00 -0.39 -3.76 117.12 116.20 2kvr n MET 112 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 57.70 57.40 2kvr n MET 112 Cb 0.54 -1.49 0.31 0.00 0.00 0.00 0.00 33.22 32.58 2kvr n MET 112 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2kvr h ILE 113 N 0.94 1.25 -0.11 3.17 6.09 -1.29 -2.36 117.51 125.20 2kvr h ILE 113 Ca 0.00 -1.55 -0.16 0.00 -1.37 0.00 0.00 64.86 61.79 2kvr h ILE 113 Cb 0.32 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 2kvr h ILE 113 CO 0.00 0.43 -0.61 -0.33 -3.07 0.00 0.00 178.15 174.58 2kvr h GLU 114 N 0.00 0.36 0.14 2.19 5.08 -1.86 -0.76 114.58 119.73 2kvr h GLU 114 Ca -0.00 -0.25 -0.31 0.00 -1.00 0.00 0.00 59.36 57.79 2kvr h GLU 114 Cb 0.81 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kvr h GLU 114 CO 0.06 0.86 -1.58 -0.07 -1.00 0.00 0.00 179.01 177.28 2kvr h LEU 115 N 0.27 0.48 -1.05 1.33 3.38 -1.78 -3.33 115.31 114.61 2kvr h LEU 115 Ca -0.01 -0.89 -0.10 0.00 0.09 0.00 0.00 57.88 56.97 2kvr h LEU 115 Cb 1.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kvr h LEU 115 CO 0.10 1.70 -0.46 0.77 0.09 0.00 0.00 178.44 180.64 2kvr h SER 116 N -0.12 0.00 -4.65 -0.43 4.64 -1.45 -3.48 113.55 108.06 2kvr h SER 116 Ca -0.33 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.70 2kvr h SER 116 Cb 1.91 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 64.11 2kvr h SER 116 CO 0.11 0.46 -0.52 -0.67 -0.87 0.00 0.00 176.83 175.34 2kvr n ASP 117 N -3.90 -4.89 -1.96 4.97 2.03 -0.31 -2.99 116.55 109.51 2kvr n ASP 117 Ca -0.01 -0.41 -0.18 0.00 0.52 0.00 0.00 54.79 54.70 2kvr n ASP 117 Cb 0.49 -3.92 -0.02 0.00 -0.72 0.00 0.00 41.12 36.96 2kvr n ASP 117 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kvr n ASN 118 N -1.98 -5.24 -4.51 1.67 3.02 -1.11 -4.99 115.26 102.12 2kvr n ASN 118 Ca -0.02 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 2kvr n ASN 118 Cb 0.56 -4.31 -0.13 0.00 -0.61 0.00 0.00 39.78 35.29 2kvr n ASN 118 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kvr s GLU 119 N -4.71 2.56 -0.05 3.52 2.56 -1.16 -5.13 118.70 116.29 2kvr s GLU 119 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 54.97 54.18 2kvr s GLU 119 Cb 0.00 -2.43 0.02 0.00 2.00 0.00 0.00 34.13 33.72 2kvr s GLU 119 CO 0.00 0.63 0.29 0.54 -0.56 0.00 0.00 175.26 176.16 2kvr s ASN 120 N -0.78 -0.21 -0.09 -1.70 6.03 -1.26 -4.00 114.94 112.93 2kvr s ASN 120 Ca 0.12 0.24 -0.30 0.00 -1.03 0.00 0.00 52.86 51.89 2kvr s ASN 120 Cb -0.11 0.41 -0.02 0.00 -3.03 0.00 0.00 41.25 38.50 2kvr s ASN 120 CO 0.01 -0.32 1.13 -2.16 -2.03 0.00 0.00 177.10 173.73 2kvr s PRO 121 N -0.81 4.36 -0.61 3.55 0.04 -1.26 -5.02 135.00 135.25 2kvr s PRO 121 Ca -0.09 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 2kvr s PRO 121 Cb -0.04 -3.57 0.03 0.00 0.04 0.00 0.00 34.50 30.96 2kvr s PRO 121 CO 0.03 -0.43 1.19 -0.46 0.04 0.00 0.00 177.00 177.37 2kvr s TRP 122 N 2.27 2.55 0.13 0.56 -0.00 -0.99 -4.62 118.94 118.83 2kvr s TRP 122 Ca 0.53 0.26 -0.30 0.00 -0.00 0.00 0.00 56.10 56.59 2kvr s TRP 122 Cb -0.22 -4.50 -0.06 0.00 -0.00 0.00 0.00 33.47 28.68 2kvr s TRP 122 CO 0.19 -1.68 1.06 0.99 -0.00 0.00 0.00 176.95 177.52 2kvr s THR 123 N 5.03 4.16 -0.13 5.86 2.01 -1.26 -0.65 115.64 130.66 2kvr s THR 123 Ca 0.40 1.77 -0.09 0.00 0.31 0.00 0.00 61.69 64.09 2kvr s THR 123 Cb -0.08 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.34 2kvr s THR 123 CO 0.22 0.26 0.32 -0.63 -0.69 0.00 0.00 174.62 174.10 2kvr s ILE 124 N 0.09 -0.02 -0.18 1.82 1.01 -0.29 -1.53 121.20 122.10 2kvr s ILE 124 Ca 0.50 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 2kvr s ILE 124 Cb -0.27 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 2kvr s ILE 124 CO 0.32 0.03 0.96 0.12 0.00 0.00 0.00 174.94 176.37 2kvr s PHE 125 N 0.83 3.41 -0.19 3.97 5.36 0.60 -2.13 117.98 129.83 2kvr s PHE 125 Ca -0.05 1.43 -0.19 0.00 -0.96 0.00 0.00 56.93 57.16 2kvr s PHE 125 Cb -0.06 -3.17 -0.03 0.00 -0.34 0.00 0.00 43.02 39.42 2kvr s PHE 125 CO -0.06 -0.34 0.53 -1.17 -1.46 0.00 0.00 175.22 172.73 2kvr s LEU 126 N 2.55 4.17 0.12 6.12 1.98 -0.43 -1.87 118.68 131.33 2kvr s LEU 126 Ca 0.43 0.72 0.09 0.00 -2.89 0.00 0.00 54.13 52.48 2kvr s LEU 126 Cb -0.16 -2.74 -0.04 0.00 0.66 0.00 0.00 46.19 43.91 2kvr s LEU 126 CO 0.11 -0.17 -0.21 -0.70 -1.89 0.00 0.00 176.35 173.49 2kvr s GLU 127 N 1.54 1.21 0.00 1.98 2.56 -0.28 -4.53 118.70 121.17 2kvr s GLU 127 Ca 0.25 -1.26 0.31 0.00 0.00 0.00 0.00 54.97 54.27 2kvr s GLU 127 Cb -0.15 -1.45 1.64 0.00 2.00 0.00 0.00 34.13 36.17 2kvr s GLU 127 CO 0.10 0.33 2.08 2.41 -0.56 0.00 0.00 175.26 179.61