#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 0.44 0.00 0.54 7.50 -2.06 -2.50 115.11 119.04 2kvr h GLN 2 Ca 0.00 -0.20 -0.05 0.00 0.50 0.00 0.00 58.65 58.89 2kvr h GLN 2 Cb 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2kvr h GLN 2 CO 0.00 0.75 -0.25 -0.56 -1.50 0.00 0.00 178.83 177.27 2kvr h GLN 3 N 0.38 0.00 0.34 1.46 3.07 -2.05 -2.47 115.11 115.83 2kvr h GLN 3 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 2kvr h GLN 3 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 2kvr h GLN 3 CO 0.07 0.25 -0.16 1.25 0.09 0.00 0.00 178.83 180.32 2kvr h LEU 4 N 0.00 -0.39 -0.88 0.06 7.12 -1.89 -1.13 115.31 118.21 2kvr h LEU 4 Ca -0.00 -0.13 -0.10 0.00 0.13 0.00 0.00 57.88 57.78 2kvr h LEU 4 Cb 0.46 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 2kvr h LEU 4 CO 0.03 -0.08 -0.25 1.62 -0.13 0.00 0.00 178.44 179.63 2kvr h VAL 5 N -0.71 1.27 0.86 1.05 3.04 -1.57 -2.24 116.25 117.95 2kvr h VAL 5 Ca -0.05 -1.29 -0.04 0.00 -1.01 0.00 0.00 66.70 64.31 2kvr h VAL 5 Cb 0.49 1.33 0.01 0.00 -2.01 0.00 0.00 31.29 31.11 2kvr h VAL 5 CO 0.08 0.41 -0.41 -0.08 -1.01 0.00 0.00 177.57 176.56 2kvr h GLU 6 N 0.48 -1.11 -0.15 4.17 4.81 -1.42 -2.73 114.58 118.62 2kvr h GLU 6 Ca 0.07 0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2kvr h GLU 6 Cb 0.69 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2kvr h GLU 6 CO 0.05 -0.73 0.09 0.07 -0.73 0.00 0.00 179.01 177.76 2kvr h ARG 7 N -1.24 0.21 -0.30 1.92 -0.00 -1.21 -1.30 114.38 112.45 2kvr h ARG 7 Ca -0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 2kvr h ARG 7 Cb 0.89 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.80 2kvr h ARG 7 CO 0.19 0.15 0.20 1.25 -0.00 0.00 0.00 179.97 181.76 2kvr h LEU 8 N 0.21 0.35 -0.40 0.08 6.46 -1.32 -1.23 115.31 119.46 2kvr h LEU 8 Ca 0.06 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2kvr h LEU 8 Cb -0.00 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2kvr h LEU 8 CO -0.01 0.26 -0.11 1.56 -0.62 0.00 0.00 178.44 179.52 2kvr h GLN 9 N 0.40 0.77 0.00 1.25 4.20 -0.97 -1.10 115.11 119.67 2kvr h GLN 9 Ca 0.11 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2kvr h GLN 9 Cb -0.04 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2kvr h GLN 9 CO -0.02 0.91 -0.16 0.93 -0.67 0.00 0.00 178.83 179.82 2kvr h GLU 10 N 0.58 0.00 0.12 1.46 4.39 -1.00 -2.20 114.58 117.93 2kvr h GLU 10 Ca 0.10 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.45 2kvr h GLU 10 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 2kvr h GLU 10 CO 0.04 0.16 -1.88 0.93 -1.16 0.00 0.00 179.01 177.10 2kvr h GLU 11 N 0.00 0.25 0.00 2.33 5.08 -1.20 -3.39 114.58 117.65 2kvr h GLU 11 Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2kvr h GLU 11 Cb 0.42 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2kvr h GLU 11 CO 0.02 1.12 0.00 1.57 -1.00 0.00 0.00 179.01 180.72 2kvr h LYS 12 N 0.07 0.00 0.00 2.33 2.10 -0.68 -3.25 116.57 117.14 2kvr h LYS 12 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2kvr h LYS 12 Cb 2.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 2kvr h LYS 12 CO 0.11 0.00 0.50 0.07 -2.00 0.00 0.00 179.45 178.13 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 0.11 -1.62 -1.11 114.38 111.84 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 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2kvr h ARG 13 CO 0.00 0.00 0.00 0.44 0.10 0.00 0.00 179.97 180.51 2kvr n ILE 14 N -2.61 0.96 -0.11 0.08 -0.00 -1.23 -3.08 119.36 113.37 2kvr n ILE 14 Ca -0.01 0.24 0.26 0.00 -0.00 0.00 0.00 62.75 63.23 2kvr n ILE 14 Cb 0.53 -1.06 0.72 0.00 -0.00 0.00 0.00 39.64 39.83 2kvr n ILE 14 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2kvr h GLU 15 N 0.00 0.00 0.00 6.28 5.08 -1.52 -0.57 114.58 123.85 2kvr h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kvr h GLU 15 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kvr h GLU 15 CO 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 179.01 178.18 2kvr h ALA 16 N 1.59 1.17 0.00 3.43 0.00 -1.82 -2.45 119.26 121.17 2kvr h ALA 16 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kvr h ALA 16 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kvr h ALA 16 CO -0.00 -0.17 -0.45 0.00 0.00 0.00 0.00 179.25 178.63 2kvr n GLN 17 N -2.88 0.00 0.01 0.00 -0.00 -0.78 -4.85 117.38 108.88 2kvr n GLN 17 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.88 2kvr n GLN 17 Cb 0.23 -0.72 -0.13 0.00 -0.00 0.00 0.00 30.24 29.61 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2kvr h LYS 18 N 0.00 0.05 0.00 2.61 1.63 -1.17 -3.32 116.57 116.36 2kvr h LYS 18 Ca 0.00 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.64 2kvr h LYS 18 Cb 0.45 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2kvr h LYS 18 CO 0.00 0.75 -0.37 -0.09 -3.45 0.00 0.00 179.45 176.29 2kvr h ARG 19 N 0.01 0.00 -0.89 1.90 9.65 -1.60 -3.19 114.38 120.26 2kvr h ARG 19 Ca -0.21 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 58.90 2kvr h ARG 19 Cb 1.95 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 30.39 2kvr h ARG 19 CO 0.10 0.37 0.31 -0.22 2.80 0.00 0.00 179.97 183.34 2kvr h LYS 20 N 0.00 0.27 -5.92 0.20 3.64 -1.65 -3.42 116.57 109.69 2kvr h LYS 20 Ca -0.00 -0.02 -0.63 0.00 -1.27 0.00 0.00 60.65 58.73 2kvr h LYS 20 Cb 1.05 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 2kvr h LYS 20 CO 0.05 0.18 -0.52 -1.83 -2.27 0.00 0.00 179.45 175.06 2kvr s GLU 21 N -5.90 3.34 0.00 1.90 -1.05 -1.21 -4.98 118.70 110.80 2kvr s GLU 21 Ca -0.12 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 2kvr s GLU 21 Cb 0.26 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 2kvr s GLU 21 CO 0.77 0.63 0.00 -2.13 0.95 0.00 0.00 175.26 175.48 2kvr n ARG 22 N 0.62 0.00 -1.93 -4.83 0.63 -1.26 -4.95 116.66 104.93 2kvr n ARG 22 Ca -0.08 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.43 2kvr n ARG 22 Cb 0.52 -0.04 -0.02 0.00 0.45 0.00 0.00 32.46 33.37 2kvr n ARG 22 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2kvr s GLN 23 N 0.00 4.22 -0.43 -0.14 -0.21 -1.26 -4.92 119.66 116.92 2kvr s GLN 23 Ca 0.00 2.39 -0.28 0.00 0.02 0.00 0.00 55.36 57.50 2kvr s GLN 23 Cb 0.00 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 2kvr s GLN 23 CO 0.00 -0.49 1.75 -1.83 -2.12 0.00 0.00 175.29 172.60 2kvr s GLU 24 N -0.39 3.17 0.00 2.91 -1.05 -1.26 -4.79 118.70 117.29 2kvr s GLU 24 Ca 0.61 1.10 0.00 0.00 -0.15 0.00 0.00 54.97 56.53 2kvr s GLU 24 Cb -0.44 -4.22 0.00 0.00 -0.44 0.00 0.00 34.13 29.03 2kvr s GLU 24 CO 0.45 -2.07 0.00 0.00 0.95 0.00 0.00 175.26 174.59 2kvr n ALA 25 N 10.76 0.00 0.15 -0.84 0.00 -1.26 -4.99 120.51 124.32 2kvr n ALA 25 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.71 2kvr n ALA 25 Cb 0.49 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.25 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 0.39 0.24 0.00 1.44 -1.26 -1.50 115.22 114.54 2kvr n HIS 26 Ca 0.00 0.21 0.16 0.00 -2.01 0.00 0.00 57.72 56.07 2kvr n HIS 26 Cb 0.00 -0.62 0.81 0.00 0.12 0.00 0.00 29.99 30.30 2kvr n HIS 26 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2kvr h LEU 27 N 0.00 0.00 -1.57 2.39 -0.00 -1.91 -3.25 115.31 110.96 2kvr h LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kvr h LEU 27 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2kvr h LEU 27 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 178.44 177.22 2kvr n TYR 28 N -2.58 0.00 -1.40 1.13 4.01 -0.56 -1.04 117.16 116.73 2kvr n TYR 28 Ca -0.02 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.22 2kvr n TYR 28 Cb 0.07 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 2kvr n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kvr n MET 29 N 0.74 0.00 -3.05 -0.72 0.00 -0.00 -2.60 117.12 111.48 2kvr n MET 29 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 2kvr n MET 29 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 33.22 32.02 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 -0.64 4.13 -0.05 3.17 1.11 -1.26 -1.19 119.66 124.94 2kvr s GLN 30 Ca 0.71 0.84 -0.00 0.00 0.01 0.00 0.00 55.36 56.92 2kvr s GLN 30 Cb -1.02 -2.50 0.03 0.00 -1.01 0.00 0.00 33.01 28.51 2kvr s GLN 30 CO 0.55 0.18 0.00 0.54 0.01 0.00 0.00 175.29 176.57 2kvr s VAL 31 N -1.90 0.26 -0.61 1.09 0.11 -0.16 -2.00 120.40 117.20 2kvr s VAL 31 Ca 0.53 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.42 2kvr s VAL 31 Cb -0.12 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2kvr s VAL 31 CO 0.18 0.20 1.10 -1.10 -3.33 0.00 0.00 175.10 172.14 2kvr s GLN 32 N 1.44 3.35 -0.02 1.54 -0.21 0.38 -2.49 119.66 123.65 2kvr s GLN 32 Ca -0.04 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2kvr s GLN 32 Cb -0.13 -4.08 -0.04 0.00 1.00 0.00 0.00 33.01 29.76 2kvr s GLN 32 CO -0.03 -1.72 0.02 0.42 -2.12 0.00 0.00 175.29 171.86 2kvr s ILE 33 N 4.66 4.30 -0.06 1.08 -1.09 0.02 -0.96 121.20 129.14 2kvr s ILE 33 Ca 0.35 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 2kvr s ILE 33 Cb -0.10 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 2kvr s ILE 33 CO 0.20 0.43 -0.06 0.68 -1.23 0.00 0.00 174.94 174.96 2kvr s VAL 34 N -1.05 0.72 0.48 2.92 -7.23 -1.23 -0.52 120.40 114.49 2kvr s VAL 34 Ca 0.18 -0.20 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 2kvr s VAL 34 Cb -0.12 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 2kvr s VAL 34 CO 0.09 0.28 0.03 0.00 -0.31 0.00 0.00 175.10 175.19 2kvr s ALA 35 N 1.06 3.78 -0.19 1.32 0.00 -1.25 -3.67 121.76 122.81 2kvr s ALA 35 Ca -0.08 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2kvr s ALA 35 Cb -0.14 0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.28 2kvr s ALA 35 CO -0.01 -0.10 0.39 -2.00 0.00 0.00 0.00 175.76 174.04 2kvr s GLU 36 N -3.83 0.30 0.00 0.00 2.56 -1.26 -4.41 118.70 112.06 2kvr s GLU 36 Ca 0.12 0.91 0.18 0.00 0.00 0.00 0.00 54.97 56.18 2kvr s GLU 36 Cb 0.02 0.14 0.61 0.00 2.00 0.00 0.00 34.13 36.90 2kvr s GLU 36 CO 0.06 -0.32 1.46 -3.47 -0.56 0.00 0.00 175.26 172.43 2kvr n ASP 37 N 5.38 1.86 -0.29 -1.70 2.03 -1.26 -4.22 116.55 118.35 2kvr n ASP 37 Ca -0.07 -1.81 0.10 0.00 0.52 0.00 0.00 54.79 53.53 2kvr n ASP 37 Cb 0.50 -0.16 0.33 0.00 -0.72 0.00 0.00 41.12 41.07 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 2.32 0.77 -0.32 -0.67 5.75 -1.94 0.35 115.11 121.38 2kvr h GLN 38 Ca 0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 2kvr h GLN 38 Cb 0.52 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 2kvr h GLN 38 CO 0.00 0.51 0.06 0.74 -2.65 0.00 0.00 178.83 177.49 2kvr h PHE 39 N 0.79 0.10 0.00 3.99 0.04 -2.00 -1.99 116.94 117.87 2kvr h PHE 39 Ca 0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.24 2kvr h PHE 39 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2kvr h PHE 39 CO -0.00 0.02 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 2kvr n GLY 41 N 0.66 -0.67 2.95 0.00 0.00 0.11 -5.08 105.19 103.16 2kvr n GLY 41 Ca 0.03 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2kvr n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kvr s HIS 42 N -0.60 3.26 -0.93 1.61 5.04 -1.18 -4.94 115.29 117.54 2kvr s HIS 42 Ca 0.00 -2.91 0.11 0.00 -1.54 0.00 0.00 55.06 50.72 2kvr s HIS 42 Cb 0.00 -2.71 0.32 0.00 0.04 0.00 0.00 32.58 30.23 2kvr s HIS 42 CO 0.00 -0.86 1.26 1.04 -2.34 0.00 0.00 174.74 173.84 2kvr n GLN 43 N 3.88 2.88 -1.91 2.88 1.13 -1.26 -4.80 117.38 120.17 2kvr n GLN 43 Ca 0.04 -2.08 -0.40 0.00 -1.94 0.00 0.00 57.00 52.62 2kvr n GLN 43 Cb 0.38 -1.29 -0.00 0.00 0.11 0.00 0.00 30.24 29.44 2kvr n GLN 43 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2kvr s GLY 44 N -1.02 2.95 -0.94 1.08 0.00 -1.26 -4.90 107.32 103.23 2kvr s GLY 44 Ca 0.24 1.42 -0.24 0.00 0.00 0.00 0.00 44.72 46.14 2kvr s GLY 44 CO 0.16 2.06 1.78 -1.31 0.00 0.00 0.00 173.10 175.79 2kvr s ASN 45 N -0.41 5.60 0.41 1.64 -0.87 -1.26 -4.91 114.94 115.13 2kvr s ASN 45 Ca 0.55 -0.94 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 2kvr s ASN 45 Cb -0.43 -2.56 -0.00 0.00 -0.02 0.00 0.00 41.25 38.24 2kvr s ASN 45 CO 0.57 -2.32 0.02 0.47 -2.57 0.00 0.00 177.10 173.27 2kvr n ASP 46 N 12.24 2.81 -0.77 -1.22 8.00 -1.26 -5.06 116.55 131.29 2kvr n ASP 46 Ca 0.38 -2.83 -0.00 0.00 0.71 0.00 0.00 54.79 53.04 2kvr n ASP 46 Cb 0.48 0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.97 2kvr n ASP 46 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2kvr n MET 47 N -0.99 0.00 -3.26 -1.24 0.00 -1.26 -4.99 117.12 105.37 2kvr n MET 47 Ca -0.15 -0.94 -0.05 0.00 -0.00 0.00 0.00 57.70 56.56 2kvr n MET 47 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 33.22 33.58 2kvr n MET 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 2kvr s TYR 48 N 0.00 -1.24 -0.33 1.12 5.04 -1.26 -5.12 117.35 115.56 2kvr s TYR 48 Ca 0.07 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.69 2kvr s TYR 48 Cb 0.08 0.06 0.10 0.00 0.35 0.00 0.00 41.96 42.55 2kvr s TYR 48 CO -0.03 -1.10 0.05 -0.51 -1.34 0.00 0.00 175.55 172.61 2kvr s ASP 49 N 1.81 4.61 0.39 4.32 1.11 -1.26 -4.99 116.67 122.65 2kvr s ASP 49 Ca 0.16 -2.01 0.27 0.00 0.18 0.00 0.00 52.55 51.15 2kvr s ASP 49 Cb -0.08 -1.49 1.37 0.00 1.07 0.00 0.00 42.92 43.79 2kvr s ASP 49 CO -0.08 -0.37 1.83 -0.33 1.18 0.00 0.00 175.17 177.40 2kvr h GLU 50 N 7.71 0.00 -0.18 8.23 5.08 -2.00 0.51 114.58 133.93 2kvr h GLU 50 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2kvr h GLU 50 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2kvr h GLU 50 CO 0.51 0.00 -0.09 1.05 -1.00 0.00 0.00 179.01 179.47 2kvr h GLU 51 N 0.00 0.39 -0.10 2.33 9.09 -1.94 -3.38 114.58 120.96 2kvr h GLU 51 Ca 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 59.36 59.24 2kvr h GLU 51 Cb 0.14 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 2kvr h GLU 51 CO 0.00 0.69 0.00 1.17 0.05 0.00 0.00 179.01 180.92 2kvr n LYS 52 N -4.58 2.25 -1.24 1.06 4.81 0.48 -3.77 118.16 117.16 2kvr n LYS 52 Ca -0.05 -2.34 -0.30 0.00 -0.87 0.00 0.00 58.31 54.75 2kvr n LYS 52 Cb 0.32 -1.44 0.23 0.00 0.02 0.00 0.00 35.03 34.16 2kvr n LYS 52 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2kvr s VAL 53 N -2.22 1.65 1.28 3.15 -7.23 0.15 -4.91 120.40 112.28 2kvr s VAL 53 Ca 0.26 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.25 2kvr s VAL 53 Cb 0.21 -2.59 0.32 0.00 0.56 0.00 0.00 36.38 34.88 2kvr s VAL 53 CO 0.05 0.00 0.99 -0.54 -0.31 0.00 0.00 175.10 175.29 2kvr s LYS 54 N -5.54 -1.86 -0.52 4.82 3.01 -1.26 -4.73 119.74 113.65 2kvr s LYS 54 Ca 0.72 0.42 -0.37 0.00 -1.01 0.00 0.00 55.97 55.73 2kvr s LYS 54 Cb -0.08 -1.48 -0.16 0.00 -1.01 0.00 0.00 37.83 35.11 2kvr s LYS 54 CO 0.55 -4.24 2.27 0.66 0.51 0.00 0.00 175.35 175.10 2kvr n TYR 55 N -5.22 1.24 -2.17 3.18 4.01 -1.26 -4.84 117.16 112.10 2kvr n TYR 55 Ca 0.08 0.48 -0.43 0.00 -0.16 0.00 0.00 57.90 57.87 2kvr n TYR 55 Cb 0.57 -2.42 -0.02 0.00 -0.31 0.00 0.00 39.34 37.16 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 7.36 3.71 -0.34 -0.72 2.01 0.32 -4.82 115.64 123.17 2kvr s THR 56 Ca 1.17 0.74 -0.17 0.00 0.31 0.00 0.00 61.69 63.75 2kvr s THR 56 Cb -1.14 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 67.48 2kvr s THR 56 CO 0.54 -0.51 0.47 -0.69 -0.69 0.00 0.00 174.62 173.74 2kvr s VAL 57 N 5.87 5.07 0.10 3.82 1.01 -1.26 -0.80 120.40 134.21 2kvr s VAL 57 Ca 0.70 0.30 0.05 0.00 0.00 0.00 0.00 61.98 63.03 2kvr s VAL 57 Cb -0.20 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2kvr s VAL 57 CO 0.32 -0.15 -0.00 -0.36 0.00 0.00 0.00 175.10 174.90 2kvr s PHE 58 N 2.28 2.97 -0.33 5.22 0.08 -1.04 -4.93 117.98 122.22 2kvr s PHE 58 Ca 0.17 -0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 2kvr s PHE 58 Cb -0.16 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.83 2kvr s PHE 58 CO 0.12 0.48 0.07 -1.59 -0.10 0.00 0.00 175.22 174.21 2kvr s LYS 59 N -2.37 2.45 0.09 0.44 0.00 -1.26 -0.98 119.74 118.11 2kvr s LYS 59 Ca 0.26 -1.31 0.05 0.00 0.00 0.00 0.00 55.97 54.97 2kvr s LYS 59 Cb -0.11 -3.35 -0.03 0.00 0.00 0.00 0.00 37.83 34.33 2kvr s LYS 59 CO 0.18 -0.70 -0.14 0.14 0.00 0.00 0.00 175.35 174.83 2kvr s VAL 60 N 1.30 1.17 -0.53 1.79 -7.23 -0.34 -4.86 120.40 111.70 2kvr s VAL 60 Ca -0.02 -1.50 -0.28 0.00 -1.81 0.00 0.00 61.98 58.36 2kvr s VAL 60 Cb -0.20 -1.28 0.03 0.00 0.56 0.00 0.00 36.38 35.49 2kvr s VAL 60 CO 0.00 -0.34 1.15 -0.76 -0.31 0.00 0.00 175.10 174.84 2kvr s LEU 61 N -2.10 3.58 0.40 1.32 2.01 -1.24 -0.82 118.68 121.83 2kvr s LEU 61 Ca 0.03 0.25 0.08 0.00 0.01 0.00 0.00 54.13 54.50 2kvr s LEU 61 Cb -0.07 -3.33 0.83 0.00 0.01 0.00 0.00 46.19 43.62 2kvr s LEU 61 CO 0.02 -1.35 2.01 0.07 1.01 0.00 0.00 176.35 178.10 2kvr h LYS 62 N 9.38 0.45 0.00 1.70 2.10 -1.44 -2.16 116.57 126.60 2kvr h LYS 62 Ca -0.24 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2kvr h LYS 62 Cb 1.06 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2kvr h LYS 62 CO 1.15 0.37 0.00 -2.95 -2.00 0.00 0.00 179.45 176.02 2kvr h ASN 63 N 0.45 0.00 -2.96 7.07 -1.07 -1.88 -2.51 115.58 114.69 2kvr h ASN 63 Ca 0.11 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 56.03 2kvr h ASN 63 Cb 0.09 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 36.39 2kvr h ASN 63 CO -0.01 0.00 0.02 -0.55 0.07 0.00 0.00 177.43 176.95 2kvr s SER 64 N -4.77 5.46 0.69 6.14 0.15 -0.81 -4.87 113.70 115.70 2kvr s SER 64 Ca 0.06 0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.86 2kvr s SER 64 Cb 0.10 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.15 2kvr s SER 64 CO 0.52 -1.04 1.10 -0.94 1.20 0.00 0.00 173.24 174.08 2kvr s SER 65 N -4.34 4.99 0.39 5.45 1.04 -1.26 -2.36 113.70 117.60 2kvr s SER 65 Ca 0.54 1.92 0.18 0.00 0.48 0.00 0.00 55.95 59.06 2kvr s SER 65 Cb -0.10 -2.54 0.80 0.00 0.10 0.00 0.00 66.02 64.28 2kvr s SER 65 CO 0.40 -1.71 1.81 0.25 0.98 0.00 0.00 173.24 174.97 2kvr h LEU 66 N -0.32 0.00 -2.19 2.42 7.12 -1.36 -2.68 115.31 118.30 2kvr h LEU 66 Ca -0.46 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.58 2kvr h LEU 66 Cb 1.24 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 2kvr h LEU 66 CO 0.54 0.35 0.07 0.00 -0.13 0.00 0.00 178.44 179.26 2kvr h ALA 67 N 1.65 1.86 -0.26 1.25 0.00 -1.79 -0.66 119.26 121.30 2kvr h ALA 67 Ca -0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2kvr h ALA 67 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kvr h ALA 67 CO 0.05 -0.11 -0.60 0.93 0.00 0.00 0.00 179.25 179.52 2kvr h GLU 68 N 0.00 0.86 -0.55 0.00 4.39 -1.86 -2.10 114.58 115.32 2kvr h GLU 68 Ca 0.04 -0.58 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 2kvr h GLU 68 Cb 0.17 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2kvr h GLU 68 CO -0.00 1.21 0.26 0.35 -1.16 0.00 0.00 179.01 179.67 2kvr h PHE 69 N 0.64 0.80 0.07 4.33 3.57 -1.30 -2.41 116.94 122.64 2kvr h PHE 69 Ca -0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2kvr h PHE 69 Cb 1.22 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2kvr h PHE 69 CO 0.08 0.63 -0.03 0.28 -2.23 0.00 0.00 178.31 177.03 2kvr h VAL 70 N 0.75 0.98 -0.09 1.41 2.07 -1.15 -2.78 116.25 117.42 2kvr h VAL 70 Ca 0.19 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2kvr h VAL 70 Cb 0.13 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2kvr h VAL 70 CO -0.02 0.03 -0.26 0.06 0.02 0.00 0.00 177.57 177.40 2kvr h GLN 71 N -0.15 0.17 -0.21 1.57 3.07 -1.37 -0.61 115.11 117.58 2kvr h GLN 71 Ca -0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 2kvr h GLN 71 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 2kvr h GLN 71 CO 0.01 0.42 0.13 0.77 0.09 0.00 0.00 178.83 180.25 2kvr h SER 72 N 0.15 0.25 0.06 0.06 0.02 -1.30 -1.79 113.55 111.01 2kvr h SER 72 Ca 0.02 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 2kvr h SER 72 Cb 0.55 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2kvr h SER 72 CO 0.04 0.22 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.43 2kvr h LEU 73 N 0.26 0.50 -0.56 5.07 3.38 -1.19 -2.43 115.31 120.34 2kvr h LEU 73 Ca 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kvr h LEU 73 Cb 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2kvr h LEU 73 CO -0.01 0.89 0.27 -1.28 0.09 0.00 0.00 178.44 178.39 2kvr h SER 74 N 0.38 0.73 0.87 -0.43 0.87 -0.91 -1.68 113.55 113.38 2kvr h SER 74 Ca 0.03 -0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.25 2kvr h SER 74 Cb 0.94 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2kvr h SER 74 CO 0.08 0.66 -0.94 1.56 -0.53 0.00 0.00 176.83 177.66 2kvr h GLN 75 N 0.76 0.04 0.00 2.24 1.08 -1.31 -1.20 115.11 116.71 2kvr h GLN 75 Ca 0.19 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2kvr h GLN 75 Cb 0.12 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2kvr h GLN 75 CO -0.02 0.95 -0.61 0.00 -0.95 0.00 0.00 178.83 178.19 2kvr h THR 76 N 0.02 0.16 0.00 -0.54 1.03 -1.30 -3.39 112.91 108.89 2kvr h THR 76 Ca -0.02 -1.26 -0.06 0.00 -0.01 0.00 0.00 66.41 65.05 2kvr h THR 76 Cb 1.65 1.86 -0.01 0.00 -1.07 0.00 0.00 68.15 70.58 2kvr h THR 76 CO 0.13 0.09 -1.24 0.23 -0.01 0.00 0.00 175.52 174.72 2kvr n MET 77 N -2.93 0.92 -0.18 0.00 2.81 -0.64 -5.04 117.12 112.06 2kvr n MET 77 Ca 0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2kvr n MET 77 Cb 0.60 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 3.18 0.90 3.69 3.03 0.00 -0.45 -5.05 105.19 110.49 2kvr n GLY 78 Ca -0.07 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 3.46 0.12 1.61 0.40 -1.23 -5.01 117.98 115.33 2kvr s PHE 79 Ca 0.00 1.50 -0.31 0.00 -0.60 0.00 0.00 56.93 57.52 2kvr s PHE 79 Cb 0.00 -3.25 -0.10 0.00 0.51 0.00 0.00 43.02 40.18 2kvr s PHE 79 CO 0.00 -0.51 1.86 -0.35 0.70 0.00 0.00 175.22 176.92 2kvr n PRO 80 N 4.82 2.84 0.02 0.24 -0.04 -1.26 -4.24 135.00 137.38 2kvr n PRO 80 Ca 0.09 1.03 0.03 0.00 -0.04 0.00 0.00 63.50 64.61 2kvr n PRO 80 Cb 0.48 -2.94 0.41 0.00 -0.04 0.00 0.00 33.50 31.41 2kvr n PRO 80 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2kvr h GLN 81 N 8.78 0.49 0.00 0.54 3.07 -1.91 -1.11 115.11 124.97 2kvr h GLN 81 Ca -0.47 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.16 2kvr h GLN 81 Cb 1.22 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 2kvr h GLN 81 CO 0.95 0.38 -0.33 0.22 0.09 0.00 0.00 178.83 180.14 2kvr h ASP 82 N 0.50 0.00 -0.49 0.06 3.58 -1.97 -2.98 116.42 115.12 2kvr h ASP 82 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2kvr h ASP 82 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2kvr h ASP 82 CO -0.02 0.33 0.00 1.67 -2.88 0.00 0.00 179.24 178.34 2kvr n GLN 83 N -4.04 3.27 -2.51 0.28 7.27 -0.47 -4.93 117.38 116.25 2kvr n GLN 83 Ca -0.02 -2.63 -0.43 0.00 0.07 0.00 0.00 57.00 53.99 2kvr n GLN 83 Cb 0.38 -1.69 -0.02 0.00 2.41 0.00 0.00 30.24 31.32 2kvr n GLN 83 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2kvr s ILE 84 N -1.75 4.12 -0.13 1.69 1.01 -0.88 -4.13 121.20 121.13 2kvr s ILE 84 Ca 0.41 1.16 -0.06 0.00 0.00 0.00 0.00 60.65 62.16 2kvr s ILE 84 Cb 0.27 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2kvr s ILE 84 CO 0.20 -0.87 0.08 -0.13 0.00 0.00 0.00 174.94 174.22 2kvr s ARG 85 N 4.56 3.51 -0.21 2.79 3.00 -0.66 -4.97 118.95 126.97 2kvr s ARG 85 Ca 0.53 -0.26 -0.08 0.00 0.00 0.00 0.00 55.73 55.91 2kvr s ARG 85 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 34.95 31.70 2kvr s ARG 85 CO 0.31 0.60 0.09 -0.51 0.00 0.00 0.00 175.30 175.78 2kvr s LEU 86 N -0.54 3.83 -0.23 2.53 1.02 -1.26 -1.19 118.68 122.84 2kvr s LEU 86 Ca 0.11 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.31 2kvr s LEU 86 Cb -0.12 -1.99 0.05 0.00 0.02 0.00 0.00 46.19 44.15 2kvr s LEU 86 CO 0.02 0.11 -0.09 0.26 0.02 0.00 0.00 176.35 176.67 2kvr s TRP 87 N 0.76 2.70 0.79 0.29 0.52 -0.70 -1.29 118.94 122.02 2kvr s TRP 87 Ca 0.05 -1.90 -0.11 0.00 0.02 0.00 0.00 56.10 54.16 2kvr s TRP 87 Cb -0.13 -1.72 0.07 0.00 -1.15 0.00 0.00 33.47 30.53 2kvr s TRP 87 CO 0.02 -0.80 1.09 -1.25 0.02 0.00 0.00 176.95 176.03 2kvr s PRO 88 N 1.29 2.13 -0.37 4.98 0.04 -1.26 -0.58 135.00 141.23 2kvr s PRO 88 Ca -0.05 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 2kvr s PRO 88 Cb -0.18 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2kvr s PRO 88 CO -0.07 -1.70 2.28 0.00 0.04 0.00 0.00 177.00 177.56 2kvr n MET 89 N -3.55 1.32 -3.86 4.56 0.00 -0.85 -4.83 117.12 109.91 2kvr n MET 89 Ca 0.08 0.29 -0.30 0.00 0.00 0.00 0.00 57.70 57.78 2kvr n MET 89 Cb 0.54 -2.89 -0.14 0.00 0.00 0.00 0.00 33.22 30.72 2kvr n MET 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kvr s GLN 90 N 6.89 1.67 -1.21 3.17 2.00 -1.26 -5.04 119.66 125.89 2kvr s GLN 90 Ca 1.06 -2.34 -0.20 0.00 -2.00 0.00 0.00 55.36 51.88 2kvr s GLN 90 Cb -0.55 -2.92 0.04 0.00 0.80 0.00 0.00 33.01 30.39 2kvr s GLN 90 CO 0.39 -1.12 1.71 0.00 -0.50 0.00 0.00 175.29 175.77 2kvr s ALA 91 N 0.03 2.93 0.06 1.58 0.00 -1.26 -4.93 121.76 120.16 2kvr s ALA 91 Ca 0.17 -2.62 0.04 0.00 0.00 0.00 0.00 51.96 49.54 2kvr s ALA 91 Cb -0.25 -4.62 -0.03 0.00 0.00 0.00 0.00 23.12 18.22 2kvr s ALA 91 CO -0.00 -3.68 -0.12 1.03 0.00 0.00 0.00 175.76 172.99 2kvr s ARG 92 N 4.79 0.73 0.58 0.00 1.81 -1.26 -5.16 118.95 120.44 2kvr s ARG 92 Ca 0.55 -0.85 -0.17 0.00 -1.72 0.00 0.00 55.73 53.54 2kvr s ARG 92 Cb 0.02 -0.67 -0.04 0.00 -0.45 0.00 0.00 34.95 33.81 2kvr s ARG 92 CO 0.04 0.15 1.06 -1.54 -0.68 0.00 0.00 175.30 174.33 2kvr s SER 93 N -1.58 5.83 -0.26 0.23 1.04 -1.26 -4.92 113.70 112.78 2kvr s SER 93 Ca -0.04 1.87 -0.31 0.00 0.48 0.00 0.00 55.95 57.95 2kvr s SER 93 Cb -0.10 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 2kvr s SER 93 CO 0.02 -1.14 2.19 -0.46 0.98 0.00 0.00 173.24 174.82 2kvr n ASN 94 N -1.83 2.82 0.00 7.02 6.94 -1.26 -2.02 115.26 126.93 2kvr n ASN 94 Ca 0.09 0.35 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 2kvr n ASN 94 Cb 0.53 -1.42 0.00 0.00 -2.36 0.00 0.00 39.78 36.52 2kvr n ASN 94 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kvr n GLY 95 N 5.98 3.17 3.58 4.83 0.00 -1.26 -4.94 105.19 116.55 2kvr n GLY 95 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 2kvr n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvr s THR 96 N -1.67 4.08 0.00 2.61 2.01 -0.86 -1.72 115.64 120.09 2kvr s THR 96 Ca 0.00 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.22 2kvr s THR 96 Cb 0.00 -5.17 0.00 0.00 0.01 0.00 0.00 72.50 67.34 2kvr s THR 96 CO 0.00 -1.99 0.00 1.17 -0.69 0.00 0.00 174.62 173.11 2kvr n LYS 97 N 8.44 0.00 -2.56 4.92 4.81 -1.26 -4.53 118.16 127.98 2kvr n LYS 97 Ca 0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2kvr n LYS 97 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 2kvr n LYS 97 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2kvr n ARG 98 N 0.00 -0.90 -2.35 1.64 0.63 -0.70 -5.01 116.66 109.97 2kvr n ARG 98 Ca 0.00 1.18 -0.41 0.00 -0.92 0.00 0.00 57.85 57.70 2kvr n ARG 98 Cb 0.00 -4.40 -0.03 0.00 0.45 0.00 0.00 32.46 28.47 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kvr s PRO 99 N -2.99 4.48 0.22 -0.14 0.04 -1.26 -5.04 135.00 130.31 2kvr s PRO 99 Ca 0.00 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 62.95 2kvr s PRO 99 Cb -0.00 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2kvr s PRO 99 CO 0.51 -0.09 0.13 0.00 0.04 0.00 0.00 177.00 177.59 2kvr s ALA 100 N -0.17 1.31 1.00 8.56 0.00 -1.26 -5.10 121.76 126.10 2kvr s ALA 100 Ca 0.52 -1.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 2kvr s ALA 100 Cb -0.33 1.32 0.19 0.00 0.00 0.00 0.00 23.12 24.29 2kvr s ALA 100 CO 0.38 -0.56 1.10 0.00 0.00 0.00 0.00 175.76 176.67 2kvr s MET 101 N -4.12 0.41 0.75 0.00 0.23 -1.26 -4.80 119.30 110.52 2kvr s MET 101 Ca 0.39 0.49 -0.14 0.00 -1.03 0.00 0.00 55.69 55.40 2kvr s MET 101 Cb 0.07 -1.74 0.05 0.00 -1.53 0.00 0.00 34.83 31.68 2kvr s MET 101 CO 0.13 -2.74 1.17 -0.51 -2.03 0.00 0.00 175.02 171.04 2kvr s LEU 102 N -6.45 3.23 -0.60 0.18 2.01 -0.41 -4.88 118.68 111.75 2kvr s LEU 102 Ca 0.65 2.22 -0.26 0.00 0.01 0.00 0.00 54.13 56.76 2kvr s LEU 102 Cb -0.18 -4.57 -0.07 0.00 0.01 0.00 0.00 46.19 41.37 2kvr s LEU 102 CO 0.57 -2.27 2.28 -1.81 1.01 0.00 0.00 176.35 176.13 2kvr s ASP 103 N -2.34 4.52 0.47 2.29 1.11 -1.26 -4.80 116.67 116.66 2kvr s ASP 103 Ca 0.71 0.62 0.19 0.00 0.18 0.00 0.00 52.55 54.24 2kvr s ASP 103 Cb -0.26 -2.52 1.14 0.00 1.07 0.00 0.00 42.92 42.35 2kvr s ASP 103 CO 0.48 -2.98 2.01 -1.13 1.18 0.00 0.00 175.17 174.72 2kvr h ASN 104 N 16.82 0.00 0.72 0.27 -0.00 -1.96 0.16 115.58 131.59 2kvr h ASN 104 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 55.87 2kvr h ASN 104 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.49 2kvr h ASN 104 CO 1.14 0.17 -1.20 1.05 -0.00 0.00 0.00 177.43 178.60 2kvr h GLU 105 N 0.00 0.20 -0.15 6.67 9.09 -1.99 -3.17 114.58 125.23 2kvr h GLU 105 Ca -0.00 -0.34 -0.09 0.00 0.05 0.00 0.00 59.36 58.98 2kvr h GLU 105 Cb 0.34 0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.57 2kvr h GLU 105 CO 0.02 1.15 -0.26 0.00 0.05 0.00 0.00 179.01 179.98 2kvr h ALA 106 N 0.69 0.24 0.07 1.06 0.00 -1.54 -3.32 119.26 116.46 2kvr h ALA 106 Ca -0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kvr h ALA 106 Cb 1.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2kvr h ALA 106 CO 0.18 0.22 -0.04 0.38 0.00 0.00 0.00 179.25 180.00 2kvr h ASP 107 N 0.06 -0.08 0.00 0.00 3.04 -0.85 -2.57 116.42 116.02 2kvr h ASP 107 Ca 0.01 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 2kvr h ASP 107 Cb 0.84 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 2kvr h ASP 107 CO 0.06 0.31 0.00 0.61 -2.04 0.00 0.00 179.24 178.18 2kvr n GLY 108 N -0.07 -0.53 0.10 7.15 0.00 -1.20 -2.15 105.19 108.48 2kvr n GLY 108 Ca -0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 0.90 -2.87 1.61 2.85 -0.98 -4.31 115.26 111.65 2kvr n ASN 109 Ca 0.08 -0.03 -0.12 0.00 -0.11 0.00 0.00 54.58 54.39 2kvr n ASN 109 Cb 0.04 0.60 -0.03 0.00 1.24 0.00 0.00 39.78 41.63 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2kvr n LYS 110 N -2.82 1.31 -2.40 1.20 -0.00 -0.92 -4.95 118.16 109.58 2kvr n LYS 110 Ca -0.33 -1.42 -0.33 0.00 -0.00 0.00 0.00 58.31 56.22 2kvr n LYS 110 Cb 1.06 0.49 -0.03 0.00 -0.00 0.00 0.00 35.03 36.55 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 -1.84 4.01 -1.31 0.58 -4.23 -1.26 -1.41 115.64 110.17 2kvr s THR 111 Ca 0.02 1.10 0.30 0.00 -1.18 0.00 0.00 61.69 61.93 2kvr s THR 111 Cb 0.00 -3.50 0.44 0.00 1.34 0.00 0.00 72.50 70.78 2kvr s THR 111 CO 0.02 -0.41 2.01 1.15 -0.54 0.00 0.00 174.62 176.84 2kvr n MET 112 N -1.37 0.31 0.06 3.99 0.00 -1.00 -3.38 117.12 115.74 2kvr n MET 112 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.78 2kvr n MET 112 Cb 0.53 -1.50 0.32 0.00 0.00 0.00 0.00 33.22 32.57 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 0.02 1.21 0.00 3.17 6.09 -1.72 -1.91 117.51 124.36 2kvr h ILE 113 Ca 0.00 -0.92 -0.07 0.00 -1.37 0.00 0.00 64.86 62.50 2kvr h ILE 113 Cb 0.35 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 2kvr h ILE 113 CO 0.00 0.29 -0.35 -0.33 -3.07 0.00 0.00 178.15 174.69 2kvr h GLU 114 N 0.34 0.00 0.06 2.19 5.08 -1.86 -0.83 114.58 119.57 2kvr h GLU 114 Ca 0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.16 2kvr h GLU 114 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2kvr h GLU 114 CO 0.03 0.35 -1.44 -0.07 -1.00 0.00 0.00 179.01 176.88 2kvr h LEU 115 N 0.00 0.20 -1.25 1.33 3.38 -1.74 -3.38 115.31 113.85 2kvr h LEU 115 Ca -0.00 -0.73 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 2kvr h LEU 115 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2kvr h LEU 115 CO 0.05 1.60 -0.30 0.77 0.09 0.00 0.00 178.44 180.64 2kvr h SER 116 N -0.55 0.12 -5.12 -0.43 4.64 -1.23 -3.47 113.55 107.50 2kvr h SER 116 Ca -0.34 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 60.61 2kvr h SER 116 Cb 1.60 -0.03 0.12 0.00 -0.31 0.00 0.00 62.40 63.78 2kvr h SER 116 CO -0.06 0.42 -0.60 -0.67 -0.87 0.00 0.00 176.83 175.06 2kvr n ASP 117 N -4.15 -4.92 0.00 4.97 2.03 -0.33 -3.25 116.55 110.90 2kvr n ASP 117 Ca -0.02 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.82 2kvr n ASP 117 Cb 0.37 -4.38 0.00 0.00 -0.72 0.00 0.00 41.12 36.39 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 -2.45 -0.10 -4.86 1.67 3.02 -1.24 -4.98 115.26 106.32 2kvr n ASN 118 Ca -0.05 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.18 2kvr n ASN 118 Cb 0.57 -1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.49 2kvr n ASN 118 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kvr s GLU 119 N -0.48 3.93 -0.27 3.52 -1.05 -1.20 -5.10 118.70 118.05 2kvr s GLU 119 Ca 0.00 0.55 -0.21 0.00 -0.15 0.00 0.00 54.97 55.16 2kvr s GLU 119 Cb 0.00 -2.48 0.07 0.00 -0.44 0.00 0.00 34.13 31.29 2kvr s GLU 119 CO 0.00 0.17 0.70 0.54 0.95 0.00 0.00 175.26 177.62 2kvr s ASN 120 N -2.40 -0.82 -0.02 0.83 4.22 -1.26 -4.12 114.94 111.36 2kvr s ASN 120 Ca 0.52 1.46 -0.30 0.00 -2.14 0.00 0.00 52.86 52.40 2kvr s ASN 120 Cb -0.10 1.41 -0.04 0.00 1.28 0.00 0.00 41.25 43.79 2kvr s ASN 120 CO 0.20 -0.24 1.27 -2.16 -2.04 0.00 0.00 177.10 174.12 2kvr s PRO 121 N 0.91 4.34 -0.29 3.55 0.04 -1.25 -4.88 135.00 137.41 2kvr s PRO 121 Ca -0.04 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 2kvr s PRO 121 Cb -0.05 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.96 2kvr s PRO 121 CO -0.08 -0.47 0.98 -0.46 0.04 0.00 0.00 177.00 177.01 2kvr s TRP 122 N 2.14 3.22 -0.09 0.56 -0.00 -0.85 -4.57 118.94 119.36 2kvr s TRP 122 Ca 0.59 1.17 -0.29 0.00 -0.00 0.00 0.00 56.10 57.57 2kvr s TRP 122 Cb -0.27 -3.42 -0.02 0.00 -0.00 0.00 0.00 33.47 29.76 2kvr s TRP 122 CO 0.24 -0.62 0.96 0.99 -0.00 0.00 0.00 176.95 178.52 2kvr s THR 123 N 3.31 4.83 0.13 5.86 2.01 -1.26 -0.47 115.64 130.05 2kvr s THR 123 Ca 0.41 1.95 -0.13 0.00 0.31 0.00 0.00 61.69 64.22 2kvr s THR 123 Cb -0.14 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.12 2kvr s THR 123 CO 0.12 0.05 0.34 -0.51 -0.69 0.00 0.00 174.62 173.93 2kvr s ILE 124 N 1.76 0.09 -0.05 1.82 2.07 -0.14 -2.01 121.20 124.74 2kvr s ILE 124 Ca 0.47 -0.84 0.07 0.00 -1.41 0.00 0.00 60.65 58.93 2kvr s ILE 124 Cb -0.18 -1.32 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 2kvr s ILE 124 CO 0.19 -0.39 -0.25 -0.36 -1.91 0.00 0.00 174.94 172.22 2kvr s PHE 125 N -3.84 2.42 -0.17 3.50 0.08 0.25 -3.57 117.98 116.65 2kvr s PHE 125 Ca 0.05 -0.60 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 2kvr s PHE 125 Cb 0.03 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 2kvr s PHE 125 CO -0.10 -0.14 0.37 -1.17 -0.10 0.00 0.00 175.22 174.08 2kvr s LEU 126 N -0.33 4.21 0.09 -0.37 0.20 -1.24 -1.72 118.68 119.52 2kvr s LEU 126 Ca 0.01 0.56 0.09 0.00 0.69 0.00 0.00 54.13 55.48 2kvr s LEU 126 Cb -0.12 -2.49 -0.04 0.00 -0.43 0.00 0.00 46.19 43.11 2kvr s LEU 126 CO 0.02 -0.00 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.18 2kvr s GLU 127 N 0.89 1.80 0.00 1.98 2.56 -0.33 -4.90 118.70 120.69 2kvr s GLU 127 Ca 0.19 -1.15 0.21 0.00 0.00 0.00 0.00 54.97 54.23 2kvr s GLU 127 Cb -0.14 -2.08 0.17 0.00 2.00 0.00 0.00 34.13 34.07 2kvr s GLU 127 CO 0.07 0.49 1.17 2.41 -0.56 0.00 0.00 175.26 178.84