#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr n GLN 2 N 0.00 0.06 -0.23 0.54 6.02 -1.26 -3.53 117.38 118.99 2kvr n GLN 2 Ca 0.00 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.30 2kvr n GLN 2 Cb 0.00 -1.61 0.28 0.00 1.02 0.00 0.00 30.24 29.93 2kvr n GLN 2 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2kvr h GLN 3 N 0.00 0.90 -0.19 -1.09 3.07 -2.05 -0.74 115.11 115.02 2kvr h GLN 3 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.65 2kvr h GLN 3 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 2kvr h GLN 3 CO 0.00 0.59 -0.02 -0.07 0.09 0.00 0.00 178.83 179.42 2kvr h LEU 4 N 0.93 0.35 -0.34 0.06 4.07 -2.00 -0.88 115.31 117.50 2kvr h LEU 4 Ca 0.32 -0.34 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 2kvr h LEU 4 Cb 0.10 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2kvr h LEU 4 CO -0.10 0.60 -0.80 1.62 -1.08 0.00 0.00 178.44 178.69 2kvr h VAL 5 N 0.09 1.53 0.17 1.22 3.04 -1.79 -2.79 116.25 117.72 2kvr h VAL 5 Ca 0.05 -2.77 -0.01 0.00 -1.01 0.00 0.00 66.70 62.96 2kvr h VAL 5 Cb 0.44 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 2kvr h VAL 5 CO 0.01 0.78 -0.08 -0.08 -1.01 0.00 0.00 177.57 177.19 2kvr h GLU 6 N 0.00 -0.22 -0.07 4.17 4.81 -1.08 -2.56 114.58 119.63 2kvr h GLU 6 Ca -0.01 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2kvr h GLU 6 Cb 1.45 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 2kvr h GLU 6 CO 0.10 0.17 -0.13 0.07 -0.73 0.00 0.00 179.01 178.50 2kvr h ARG 7 N -0.69 0.10 0.80 1.92 -0.00 -1.26 -0.71 114.38 114.54 2kvr h ARG 7 Ca -0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.90 2kvr h ARG 7 Cb 0.49 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 30.46 2kvr h ARG 7 CO 0.04 0.24 -0.38 1.25 -0.00 0.00 0.00 179.97 181.11 2kvr h LEU 8 N 0.10 -0.91 -0.73 0.08 6.46 -1.45 -2.21 115.31 116.65 2kvr h LEU 8 Ca 0.02 0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.67 2kvr h LEU 8 Cb 0.29 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2kvr h LEU 8 CO 0.02 -0.61 -0.61 1.56 -0.62 0.00 0.00 178.44 178.18 2kvr h GLN 9 N -1.15 0.08 0.00 1.25 4.20 -1.27 -0.08 115.11 118.15 2kvr h GLN 9 Ca -0.11 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 2kvr h GLN 9 Cb 0.84 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2kvr h GLN 9 CO 0.18 0.67 -0.39 1.49 -0.67 0.00 0.00 178.83 180.11 2kvr h GLU 10 N 0.06 0.00 0.00 1.46 4.57 -1.16 -1.61 114.58 117.90 2kvr h GLU 10 Ca -0.01 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 2kvr h GLU 10 Cb 1.09 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 2kvr h GLU 10 CO 0.08 0.39 -1.38 1.49 -1.18 0.00 0.00 179.01 178.41 2kvr h GLU 11 N 0.00 0.00 0.00 1.92 4.81 -1.10 -3.39 114.58 116.82 2kvr h GLU 11 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2kvr h GLU 11 Cb 0.71 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2kvr h GLU 11 CO 0.05 0.31 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.16 2kvr h LYS 12 N 0.00 0.00 0.00 1.92 3.64 -0.63 -3.35 116.57 118.15 2kvr h LYS 12 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2kvr h LYS 12 Cb 1.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2kvr h LYS 12 CO 0.05 0.26 0.13 2.89 -2.27 0.00 0.00 179.45 180.51 2kvr n ARG 13 N -3.17 0.06 0.07 1.90 1.85 -0.64 -1.30 116.66 115.42 2kvr n ARG 13 Ca 0.03 0.50 0.08 0.00 -1.00 0.00 0.00 57.85 57.46 2kvr n ARG 13 Cb 0.63 -1.81 0.37 0.00 -1.05 0.00 0.00 32.46 30.61 2kvr n ARG 13 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2kvr n ILE 14 N -1.76 1.06 -0.17 8.89 -0.00 -1.26 -3.33 119.36 122.79 2kvr n ILE 14 Ca -0.01 0.33 0.29 0.00 -0.00 0.00 0.00 62.75 63.36 2kvr n ILE 14 Cb 0.14 -1.21 0.72 0.00 -0.00 0.00 0.00 39.64 39.30 2kvr n ILE 14 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 2kvr h GLU 15 N 0.00 0.00 -0.64 6.28 4.11 -1.53 -0.27 114.58 122.52 2kvr h GLU 15 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2kvr h GLU 15 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2kvr h GLU 15 CO 0.00 0.00 0.43 0.00 0.07 0.00 0.00 179.01 179.51 2kvr h ALA 16 N 1.48 1.87 0.00 1.06 0.00 -1.83 -1.98 119.26 119.87 2kvr h ALA 16 Ca 0.42 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.04 2kvr h ALA 16 Cb 1.76 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 2kvr h ALA 16 CO -0.00 0.00 -2.03 0.00 0.00 0.00 0.00 179.25 177.22 2kvr n GLN 17 N -4.48 1.02 0.03 0.00 10.64 -0.60 -4.78 117.38 119.20 2kvr n GLN 17 Ca 0.10 0.05 -0.04 0.00 -1.83 0.00 0.00 57.00 55.28 2kvr n GLN 17 Cb 0.30 -1.37 -0.10 0.00 -0.86 0.00 0.00 30.24 28.21 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 -1.03 -3.34 116.57 116.44 2kvr h LYS 18 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2kvr h LYS 18 Cb 1.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 2kvr h LYS 18 CO -0.02 0.53 -0.00 -2.13 -3.45 0.00 0.00 179.45 174.37 2kvr n ARG 19 N -3.08 1.03 0.03 1.90 0.63 -0.75 -3.94 116.66 112.48 2kvr n ARG 19 Ca -0.09 -0.10 -0.12 0.00 -0.92 0.00 0.00 57.85 56.62 2kvr n ARG 19 Cb 0.93 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 32.26 2kvr n ARG 19 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2kvr h LYS 20 N 0.24 -0.03 -2.44 -0.14 3.64 -1.79 -3.20 116.57 112.85 2kvr h LYS 20 Ca 0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 2kvr h LYS 20 Cb 0.07 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 31.76 2kvr h LYS 20 CO 0.00 0.12 1.84 0.39 -2.27 0.00 0.00 179.45 179.54 2kvr n GLU 21 N -5.03 3.93 0.00 1.90 -0.58 -1.25 -4.74 120.64 114.86 2kvr n GLU 21 Ca -0.08 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.59 2kvr n GLU 21 Cb 0.10 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.49 2kvr n GLU 21 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2kvr n ARG 22 N 1.55 0.96 -4.45 3.49 1.85 -1.21 -4.79 116.66 114.06 2kvr n ARG 22 Ca 0.59 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 57.20 2kvr n ARG 22 Cb 0.34 -1.22 -0.10 0.00 -1.05 0.00 0.00 32.46 30.44 2kvr n ARG 22 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2kvr s GLN 23 N -1.54 1.79 -0.34 2.89 2.00 -1.26 -4.96 119.66 118.23 2kvr s GLN 23 Ca 0.00 -1.75 -0.28 0.00 -2.00 0.00 0.00 55.36 51.33 2kvr s GLN 23 Cb 0.00 -1.81 -0.06 0.00 0.80 0.00 0.00 33.01 31.94 2kvr s GLN 23 CO 0.00 0.30 2.30 0.39 -0.50 0.00 0.00 175.29 177.78 2kvr n GLU 24 N -0.69 1.55 0.00 1.67 1.02 -1.26 -4.90 120.64 118.04 2kvr n GLU 24 Ca -0.05 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2kvr n GLU 24 Cb 0.60 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 2kvr n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kvr n ALA 25 N 13.23 0.00 1.33 0.62 0.00 -1.26 -5.03 120.51 129.40 2kvr n ALA 25 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2kvr n ALA 25 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.48 0.00 1.44 -1.26 -4.22 115.22 110.69 2kvr n HIS 26 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 2kvr n HIS 26 Cb 0.00 -0.06 0.03 0.00 0.12 0.00 0.00 29.99 30.07 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 -0.17 5.56 -0.83 2.39 7.99 -1.26 -4.69 117.00 125.99 2kvr n LEU 27 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 56.01 53.28 2kvr n LEU 27 Cb 0.16 -0.99 0.00 0.00 -0.11 0.00 0.00 43.42 42.48 2kvr n LEU 27 CO 0.00 1.03 0.31 -1.22 -1.51 0.00 0.00 177.39 176.00 2kvr n TYR 28 N 0.71 0.00 -1.13 -1.77 4.02 -1.25 -1.73 117.16 116.01 2kvr n TYR 28 Ca 0.16 -0.25 -0.43 0.00 -0.01 0.00 0.00 57.90 57.37 2kvr n TYR 28 Cb 0.59 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.70 2kvr n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvr n MET 29 N 0.47 0.00 -3.09 -0.72 0.00 0.04 -2.41 117.12 111.41 2kvr n MET 29 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 2kvr n MET 29 Cb 0.31 -1.07 -0.06 0.00 0.00 0.00 0.00 33.22 32.39 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 -0.14 4.26 -0.11 3.17 1.11 -1.26 -1.93 119.66 124.77 2kvr s GLN 30 Ca 0.66 0.88 -0.01 0.00 0.01 0.00 0.00 55.36 56.90 2kvr s GLN 30 Cb -0.92 -2.88 0.03 0.00 -1.01 0.00 0.00 33.01 28.23 2kvr s GLN 30 CO 0.43 0.39 -0.03 0.54 0.01 0.00 0.00 175.29 176.64 2kvr s VAL 31 N -1.52 0.70 -0.78 1.09 0.11 -0.42 -1.20 120.40 118.38 2kvr s VAL 31 Ca 0.43 -0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 59.07 2kvr s VAL 31 Cb -0.17 -0.84 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2kvr s VAL 31 CO 0.21 0.24 1.22 -1.10 -3.33 0.00 0.00 175.10 172.35 2kvr s GLN 32 N 1.83 3.26 0.06 1.54 -0.21 0.24 -2.37 119.66 124.01 2kvr s GLN 32 Ca 0.04 -0.61 -0.10 0.00 0.02 0.00 0.00 55.36 54.71 2kvr s GLN 32 Cb -0.13 -4.42 -0.06 0.00 1.00 0.00 0.00 33.01 29.40 2kvr s GLN 32 CO -0.07 -2.06 0.38 0.42 -2.12 0.00 0.00 175.29 171.84 2kvr s ILE 33 N 5.03 5.12 -0.03 1.08 -1.09 0.12 -0.96 121.20 130.47 2kvr s ILE 33 Ca 0.33 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 2kvr s ILE 33 Cb -0.09 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2kvr s ILE 33 CO 0.08 0.32 -0.04 0.68 -1.23 0.00 0.00 174.94 174.75 2kvr s VAL 34 N -1.36 0.48 0.23 2.92 -7.23 -1.23 -0.87 120.40 113.33 2kvr s VAL 34 Ca 0.32 -0.14 -0.07 0.00 -1.81 0.00 0.00 61.98 60.27 2kvr s VAL 34 Cb -0.14 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2kvr s VAL 34 CO 0.17 0.19 0.33 0.00 -0.31 0.00 0.00 175.10 175.48 2kvr s ALA 35 N 0.60 0.40 -0.29 1.32 0.00 -1.26 -2.35 121.76 120.19 2kvr s ALA 35 Ca -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 2kvr s ALA 35 Cb -0.11 1.21 0.09 0.00 0.00 0.00 0.00 23.12 24.32 2kvr s ALA 35 CO -0.00 -0.74 0.10 -2.00 0.00 0.00 0.00 175.76 173.12 2kvr s GLU 36 N -4.04 0.49 0.00 0.00 2.12 -1.26 -4.79 118.70 111.22 2kvr s GLU 36 Ca 0.30 -0.77 0.27 0.00 0.36 0.00 0.00 54.97 55.13 2kvr s GLU 36 Cb 0.03 -1.68 0.93 0.00 0.26 0.00 0.00 34.13 33.67 2kvr s GLU 36 CO 0.11 -0.96 1.67 -0.25 -0.54 0.00 0.00 175.26 175.30 2kvr n ASP 37 N 5.03 1.29 0.21 -1.70 9.92 -0.22 -4.37 116.55 126.72 2kvr n ASP 37 Ca -0.04 -1.24 0.15 0.00 -0.53 0.00 0.00 54.79 53.13 2kvr n ASP 37 Cb 0.43 0.05 0.67 0.00 -0.64 0.00 0.00 41.12 41.63 2kvr n ASP 37 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2kvr h GLN 38 N 1.86 0.00 -0.40 -1.24 3.07 -1.73 0.79 115.11 117.47 2kvr h GLN 38 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 2kvr h GLN 38 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.04 2kvr h GLN 38 CO 0.00 0.00 -0.16 0.27 0.09 0.00 0.00 178.83 179.03 2kvr h PHE 39 N 0.00 0.84 0.00 0.06 -0.00 -1.94 -3.38 116.94 112.52 2kvr h PHE 39 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 57.97 57.80 2kvr h PHE 39 Cb 0.31 -0.21 0.00 0.00 -0.00 0.00 0.00 35.95 36.05 2kvr h PHE 39 CO 0.00 0.86 -0.79 0.00 -0.00 0.00 0.00 178.31 178.39 2kvr s GLY 41 N -4.51 0.93 -1.09 0.00 0.00 0.20 -4.93 107.32 97.92 2kvr s GLY 41 Ca -0.23 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 2kvr s GLY 41 CO 0.34 2.84 1.16 0.30 0.00 0.00 0.00 173.10 177.74 2kvr s HIS 42 N 6.19 3.92 -0.13 1.90 3.76 -1.26 -4.18 115.29 125.49 2kvr s HIS 42 Ca 0.48 -2.36 -0.09 0.00 -0.15 0.00 0.00 55.06 52.94 2kvr s HIS 42 Cb -0.04 -4.00 -0.06 0.00 1.11 0.00 0.00 32.58 29.60 2kvr s HIS 42 CO 0.01 -1.11 0.03 1.96 -0.85 0.00 0.00 174.74 174.77 2kvr h GLN 43 N 7.09 0.00 0.00 1.40 1.08 -1.91 -3.48 115.11 119.29 2kvr h GLN 43 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2kvr h GLN 43 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2kvr h GLN 43 CO 1.05 0.20 0.00 0.41 -0.95 0.00 0.00 178.83 179.54 2kvr n GLY 44 N 1.67 1.94 3.56 3.46 0.00 -1.26 -4.76 105.19 109.80 2kvr n GLY 44 Ca -0.07 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.81 5.55 -0.19 1.61 -0.87 -1.26 -4.87 114.94 112.11 2kvr s ASN 45 Ca 0.00 -1.09 -0.28 0.00 -1.57 0.00 0.00 52.86 49.92 2kvr s ASN 45 Cb 0.00 -2.57 0.10 0.00 -0.02 0.00 0.00 41.25 38.76 2kvr s ASN 45 CO 0.00 -2.40 0.88 -0.62 -2.57 0.00 0.00 177.10 172.38 2kvr s ASP 46 N 6.87 -0.54 0.00 -1.22 -1.08 -1.26 -5.05 116.67 114.39 2kvr s ASP 46 Ca 0.63 0.81 0.27 0.00 -0.52 0.00 0.00 52.55 53.75 2kvr s ASP 46 Cb -0.04 0.75 1.22 0.00 -1.46 0.00 0.00 42.92 43.39 2kvr s ASP 46 CO -0.01 -0.34 1.83 0.80 0.52 0.00 0.00 175.17 177.98 2kvr n MET 47 N 1.57 1.46 -3.42 4.34 0.00 -1.26 -4.46 117.12 115.34 2kvr n MET 47 Ca -0.14 -0.67 -0.21 0.00 -0.00 0.00 0.00 57.70 56.69 2kvr n MET 47 Cb 0.57 -1.46 -0.10 0.00 0.00 0.00 0.00 33.22 32.23 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 -1.97 -0.11 -1.20 1.12 6.14 -1.26 -5.08 117.35 115.00 2kvr s TYR 48 Ca 0.39 -0.69 -0.22 0.00 0.64 0.00 0.00 57.07 57.19 2kvr s TYR 48 Cb 0.20 -0.59 -0.06 0.00 0.42 0.00 0.00 41.96 41.94 2kvr s TYR 48 CO 0.32 -0.91 1.89 -0.51 0.64 0.00 0.00 175.55 176.99 2kvr s ASP 49 N 1.87 5.37 0.60 4.32 1.11 -1.26 -4.75 116.67 123.92 2kvr s ASP 49 Ca 0.13 -1.79 0.37 0.00 0.18 0.00 0.00 52.55 51.44 2kvr s ASP 49 Cb -0.16 -2.59 1.84 0.00 1.07 0.00 0.00 42.92 43.08 2kvr s ASP 49 CO -0.20 -2.71 2.17 -0.33 1.18 0.00 0.00 175.17 175.27 2kvr h GLU 50 N 9.37 0.00 0.00 8.23 5.08 -1.98 0.21 114.58 135.50 2kvr h GLU 50 Ca 0.26 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 2kvr h GLU 50 Cb 0.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2kvr h GLU 50 CO 1.27 0.02 -0.86 0.93 -1.00 0.00 0.00 179.01 179.37 2kvr h GLU 51 N 0.00 0.09 -0.57 2.33 4.39 -1.91 -3.37 114.58 115.55 2kvr h GLU 51 Ca -0.00 -0.11 -0.30 0.00 0.34 0.00 0.00 59.36 59.29 2kvr h GLU 51 Cb 0.26 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 28.54 2kvr h GLU 51 CO 0.00 0.89 -1.09 1.17 -1.16 0.00 0.00 179.01 178.83 2kvr n LYS 52 N -3.60 1.90 -0.65 2.33 3.00 -0.61 -1.05 118.16 119.48 2kvr n LYS 52 Ca -0.02 -3.57 -0.29 0.00 -0.00 0.00 0.00 58.31 54.43 2kvr n LYS 52 Cb 0.81 -1.65 0.25 0.00 0.00 0.00 0.00 35.03 34.44 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 -3.84 1.84 0.32 3.15 -7.23 0.63 -4.91 120.40 110.36 2kvr s VAL 53 Ca 0.30 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.42 2kvr s VAL 53 Cb 0.35 -2.16 0.08 0.00 0.56 0.00 0.00 36.38 35.21 2kvr s VAL 53 CO -0.02 0.00 0.21 2.29 -0.31 0.00 0.00 175.10 177.27 2kvr n LYS 54 N -4.95 -2.32 -1.58 4.82 0.00 -1.26 -4.86 118.16 108.00 2kvr n LYS 54 Ca 0.05 -0.35 -0.45 0.00 -0.00 0.00 0.00 58.31 57.57 2kvr n LYS 54 Cb 0.56 -0.41 -0.04 0.00 -0.00 0.00 0.00 35.03 35.14 2kvr n LYS 54 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2kvr n TYR 55 N -3.47 1.98 -2.40 5.58 4.19 -1.26 -4.94 117.16 116.84 2kvr n TYR 55 Ca 0.03 -0.07 -0.39 0.00 3.31 0.00 0.00 57.90 60.79 2kvr n TYR 55 Cb 0.13 -2.69 -0.03 0.00 0.49 0.00 0.00 39.34 37.24 2kvr n TYR 55 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2kvr s THR 56 N 7.42 3.36 -0.04 2.97 2.01 -0.05 -4.90 115.64 126.40 2kvr s THR 56 Ca 1.01 1.21 -0.01 0.00 0.31 0.00 0.00 61.69 64.20 2kvr s THR 56 Cb -0.48 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.36 2kvr s THR 56 CO 0.40 0.17 0.04 0.54 -0.69 0.00 0.00 174.62 175.07 2kvr s VAL 57 N -1.36 0.05 -0.01 3.82 0.11 -1.26 0.10 120.40 121.85 2kvr s VAL 57 Ca 0.52 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.91 2kvr s VAL 57 Cb -0.30 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2kvr s VAL 57 CO 0.38 0.18 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.83 2kvr s PHE 58 N 1.84 2.69 -0.35 1.54 0.08 -1.00 -4.93 117.98 117.86 2kvr s PHE 58 Ca 0.01 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 2kvr s PHE 58 Cb -0.12 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.80 2kvr s PHE 58 CO -0.03 0.25 0.13 -1.59 -0.10 0.00 0.00 175.22 173.87 2kvr s LYS 59 N -1.13 2.64 0.08 0.44 0.00 -1.26 -1.30 119.74 119.22 2kvr s LYS 59 Ca 0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 55.97 54.91 2kvr s LYS 59 Cb -0.11 -3.51 -0.04 0.00 0.00 0.00 0.00 37.83 34.17 2kvr s LYS 59 CO 0.04 -0.69 0.02 0.14 0.00 0.00 0.00 175.35 174.86 2kvr s VAL 60 N 1.42 0.17 -0.18 1.79 -7.23 -0.81 -4.88 120.40 110.68 2kvr s VAL 60 Ca -0.01 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 2kvr s VAL 60 Cb -0.20 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 2kvr s VAL 60 CO 0.03 -0.78 1.47 -0.76 -0.31 0.00 0.00 175.10 174.76 2kvr s LEU 61 N -2.96 4.06 0.53 1.32 2.01 -1.23 -0.78 118.68 121.63 2kvr s LEU 61 Ca 0.13 1.70 0.19 0.00 0.01 0.00 0.00 54.13 56.16 2kvr s LEU 61 Cb 0.08 -3.54 1.36 0.00 0.01 0.00 0.00 46.19 44.10 2kvr s LEU 61 CO -0.06 -1.02 2.16 0.07 1.01 0.00 0.00 176.35 178.52 2kvr h LYS 62 N 9.52 0.00 -0.00 1.70 2.10 -1.68 -2.44 116.57 125.78 2kvr h LYS 62 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2kvr h LYS 62 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2kvr h LYS 62 CO 0.99 0.01 -0.00 0.09 -2.00 0.00 0.00 179.45 178.54 2kvr n ASN 63 N -4.38 0.00 -4.97 7.07 4.13 -1.26 -1.91 115.26 113.95 2kvr n ASN 63 Ca -0.03 0.20 -0.22 0.00 1.68 0.00 0.00 54.58 56.21 2kvr n ASN 63 Cb 0.10 -0.40 0.01 0.00 -1.54 0.00 0.00 39.78 37.95 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2kvr s SER 64 N -2.80 5.89 0.66 6.41 0.15 -0.92 -4.87 113.70 118.21 2kvr s SER 64 Ca 0.21 0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.85 2kvr s SER 64 Cb 0.20 -1.45 -0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2kvr s SER 64 CO 0.50 -0.60 1.09 -0.94 1.20 0.00 0.00 173.24 174.49 2kvr s SER 65 N -4.20 5.26 0.45 5.45 1.04 -1.26 -1.81 113.70 118.64 2kvr s SER 65 Ca 0.47 1.89 0.18 0.00 0.48 0.00 0.00 55.95 58.97 2kvr s SER 65 Cb -0.10 -2.54 1.07 0.00 0.10 0.00 0.00 66.02 64.56 2kvr s SER 65 CO 0.35 -1.52 1.98 0.25 0.98 0.00 0.00 173.24 175.28 2kvr h LEU 66 N -0.05 0.00 -1.20 2.42 7.12 -1.38 -2.54 115.31 119.68 2kvr h LEU 66 Ca -0.46 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.53 2kvr h LEU 66 Cb 1.23 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.33 2kvr h LEU 66 CO 0.55 0.21 0.29 0.00 -0.13 0.00 0.00 178.44 179.36 2kvr h ALA 67 N 1.79 1.38 -0.34 1.25 0.00 -1.77 0.35 119.26 121.92 2kvr h ALA 67 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2kvr h ALA 67 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kvr h ALA 67 CO 0.03 0.49 -0.25 0.93 0.00 0.00 0.00 179.25 180.44 2kvr h GLU 68 N 0.84 0.68 -0.38 0.00 4.39 -1.83 -1.93 114.58 116.36 2kvr h GLU 68 Ca 0.21 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2kvr h GLU 68 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2kvr h GLU 68 CO -0.03 0.87 -0.04 0.35 -1.16 0.00 0.00 179.01 179.00 2kvr h PHE 69 N 0.59 0.77 -0.39 4.33 3.57 -1.36 -2.90 116.94 121.56 2kvr h PHE 69 Ca 0.08 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2kvr h PHE 69 Cb 0.74 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2kvr h PHE 69 CO 0.03 0.81 0.21 0.28 -2.23 0.00 0.00 178.31 177.41 2kvr h VAL 70 N 0.51 1.15 -0.26 1.41 2.07 -0.78 -1.33 116.25 119.03 2kvr h VAL 70 Ca 0.10 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 2kvr h VAL 70 Cb 0.53 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2kvr h VAL 70 CO 0.03 0.16 -0.21 0.06 0.02 0.00 0.00 177.57 177.63 2kvr h GLN 71 N 0.50 0.48 -0.14 1.57 3.07 -1.42 0.11 115.11 119.28 2kvr h GLN 71 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 2kvr h GLN 71 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 2kvr h GLN 71 CO -0.02 0.67 0.07 0.77 0.09 0.00 0.00 178.83 180.41 2kvr h SER 72 N 0.43 0.19 0.14 0.06 0.02 -1.28 -2.61 113.55 110.51 2kvr h SER 72 Ca 0.07 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 2kvr h SER 72 Cb 0.61 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2kvr h SER 72 CO 0.04 0.26 -0.31 0.25 -1.14 0.00 0.00 176.83 175.94 2kvr h LEU 73 N 0.10 0.27 -0.36 5.07 6.46 -0.88 -2.21 115.31 123.76 2kvr h LEU 73 Ca 0.05 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 2kvr h LEU 73 Cb 0.13 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2kvr h LEU 73 CO -0.01 0.57 0.03 -1.28 -0.62 0.00 0.00 178.44 177.13 2kvr h SER 74 N 0.23 0.59 1.91 1.25 0.87 -0.70 -2.42 113.55 115.28 2kvr h SER 74 Ca 0.03 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2kvr h SER 74 Cb 0.67 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kvr h SER 74 CO 0.05 0.73 -0.09 1.56 -0.53 0.00 0.00 176.83 178.55 2kvr h GLN 75 N 0.43 0.00 0.04 2.24 1.08 -1.35 -1.25 115.11 116.31 2kvr h GLN 75 Ca 0.10 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.01 2kvr h GLN 75 Cb 0.41 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 2kvr h GLN 75 CO 0.01 0.00 -1.57 0.00 -0.95 0.00 0.00 178.83 176.32 2kvr h THR 76 N 0.00 1.05 0.00 -0.54 1.03 -1.27 -3.41 112.91 109.78 2kvr h THR 76 Ca 0.00 -2.81 -0.20 0.00 -0.01 0.00 0.00 66.41 63.38 2kvr h THR 76 Cb 1.00 2.59 -0.04 0.00 -1.07 0.00 0.00 68.15 70.63 2kvr h THR 76 CO 0.00 0.70 -1.76 0.23 -0.01 0.00 0.00 175.52 174.69 2kvr n MET 77 N -3.25 0.33 0.00 0.00 2.81 -0.92 -5.05 117.12 111.04 2kvr n MET 77 Ca -0.15 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2kvr n MET 77 Cb 1.03 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.30 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 2.81 1.20 3.70 3.03 0.00 -0.48 -5.08 105.19 110.37 2kvr n GLY 78 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 3.36 0.12 1.61 0.40 -1.21 -4.98 117.98 115.27 2kvr s PHE 79 Ca 0.00 1.35 -0.31 0.00 -0.60 0.00 0.00 56.93 57.37 2kvr s PHE 79 Cb 0.00 -3.35 -0.10 0.00 0.51 0.00 0.00 43.02 40.08 2kvr s PHE 79 CO 0.00 -0.98 1.83 -1.25 0.70 0.00 0.00 175.22 175.53 2kvr s PRO 80 N 1.76 4.14 0.40 0.24 0.04 -1.26 -4.22 135.00 136.09 2kvr s PRO 80 Ca 0.55 2.59 0.08 0.00 0.04 0.00 0.00 61.00 64.26 2kvr s PRO 80 Cb -0.24 -3.62 0.82 0.00 0.04 0.00 0.00 34.50 31.50 2kvr s PRO 80 CO 0.24 -0.85 2.00 -0.56 0.04 0.00 0.00 177.00 177.87 2kvr h GLN 81 N 8.67 0.43 0.00 4.56 3.07 -1.91 0.11 115.11 130.05 2kvr h GLN 81 Ca -0.46 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.23 2kvr h GLN 81 Cb 1.22 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.69 2kvr h GLN 81 CO 0.95 0.37 0.00 -0.25 0.09 0.00 0.00 178.83 179.99 2kvr n ASP 82 N -4.40 0.00 0.00 0.06 9.92 -1.26 -3.13 116.55 117.74 2kvr n ASP 82 Ca 0.01 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 2kvr n ASP 82 Cb 0.14 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 2kvr n ASP 82 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2kvr n GLN 83 N -1.38 2.10 -1.66 -1.24 7.27 -0.35 -5.02 117.38 117.10 2kvr n GLN 83 Ca 0.07 -0.14 -0.39 0.00 0.07 0.00 0.00 57.00 56.61 2kvr n GLN 83 Cb 0.19 -0.53 -0.03 0.00 2.41 0.00 0.00 30.24 32.27 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 -0.34 3.08 0.14 1.69 1.01 0.24 -4.55 121.20 122.48 2kvr s ILE 84 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2kvr s ILE 84 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2kvr s ILE 84 CO 0.00 -0.13 0.23 -0.13 0.00 0.00 0.00 174.94 174.91 2kvr s ARG 85 N 7.27 3.26 -0.01 2.79 0.52 -0.49 -5.00 118.95 127.30 2kvr s ARG 85 Ca 0.94 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2kvr s ARG 85 Cb -0.23 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2kvr s ARG 85 CO 0.29 0.52 -0.04 -0.51 0.02 0.00 0.00 175.30 175.58 2kvr s LEU 86 N -3.12 1.92 -0.24 2.53 1.43 -1.26 -0.72 118.68 119.22 2kvr s LEU 86 Ca 0.33 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2kvr s LEU 86 Cb -0.11 -0.21 0.05 0.00 0.03 0.00 0.00 46.19 45.95 2kvr s LEU 86 CO 0.27 0.03 -0.12 0.26 0.23 0.00 0.00 176.35 177.02 2kvr s TRP 87 N 0.02 3.17 0.81 0.29 0.52 -0.70 -1.83 118.94 121.22 2kvr s TRP 87 Ca 0.00 -2.16 -0.11 0.00 0.02 0.00 0.00 56.10 53.85 2kvr s TRP 87 Cb -0.03 -1.94 0.08 0.00 -1.15 0.00 0.00 33.47 30.43 2kvr s TRP 87 CO -0.00 -0.86 1.10 -1.25 0.02 0.00 0.00 176.95 175.96 2kvr s PRO 88 N 1.15 1.98 0.50 4.98 0.04 -1.26 -0.88 135.00 141.50 2kvr s PRO 88 Ca -0.06 1.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.97 2kvr s PRO 88 Cb -0.19 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2kvr s PRO 88 CO -0.07 -1.85 1.14 0.00 0.04 0.00 0.00 177.00 176.27 2kvr s MET 89 N -4.87 3.59 0.09 4.56 0.23 -0.64 -4.83 119.30 117.43 2kvr s MET 89 Ca 0.62 1.68 -0.18 0.00 -1.03 0.00 0.00 55.69 56.78 2kvr s MET 89 Cb -0.18 -2.22 0.04 0.00 -1.53 0.00 0.00 34.83 30.94 2kvr s MET 89 CO 0.56 -0.67 0.43 1.14 -2.03 0.00 0.00 175.02 174.45 2kvr s GLN 90 N -2.98 1.03 -1.17 3.16 0.00 -1.26 -5.08 119.66 113.37 2kvr s GLN 90 Ca 0.68 -0.54 -0.18 0.00 -0.00 0.00 0.00 55.36 55.31 2kvr s GLN 90 Cb -0.26 0.46 0.10 0.00 0.00 0.00 0.00 33.01 33.31 2kvr s GLN 90 CO 0.30 -0.39 1.53 0.00 0.00 0.00 0.00 175.29 176.73 2kvr s ALA 91 N -3.26 3.34 -0.89 2.60 0.00 -1.26 -4.95 121.76 117.34 2kvr s ALA 91 Ca -0.00 -2.85 -0.25 0.00 0.00 0.00 0.00 51.96 48.86 2kvr s ALA 91 Cb 0.01 -4.43 -0.07 0.00 0.00 0.00 0.00 23.12 18.62 2kvr s ALA 91 CO -0.08 -3.22 2.05 1.03 0.00 0.00 0.00 175.76 175.54 2kvr s ARG 92 N 3.63 2.32 0.31 0.00 0.52 -1.26 -4.92 118.95 119.55 2kvr s ARG 92 Ca 0.47 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 2kvr s ARG 92 Cb 0.00 -5.00 0.01 0.00 0.52 0.00 0.00 34.95 30.48 2kvr s ARG 92 CO -0.00 -3.67 0.12 -1.13 0.02 0.00 0.00 175.30 170.65 2kvr n SER 93 N 15.12 2.42 -4.77 0.23 3.41 -1.26 -5.13 113.62 123.65 2kvr n SER 93 Ca 0.42 -2.21 -0.36 0.00 -0.26 0.00 0.00 58.87 56.46 2kvr n SER 93 Cb 0.46 0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2kvr n SER 93 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kvr s ASN 94 N -2.77 5.65 0.00 4.04 4.22 -1.26 -4.66 114.94 120.16 2kvr s ASN 94 Ca 0.09 2.29 0.00 0.00 -2.14 0.00 0.00 52.86 53.10 2kvr s ASN 94 Cb -0.01 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.93 2kvr s ASN 94 CO 0.06 -1.27 0.00 0.61 -2.04 0.00 0.00 177.10 174.46 2kvr n GLY 95 N 0.34 0.71 2.52 0.45 0.00 -1.26 -4.78 105.19 103.18 2kvr n GLY 95 Ca 0.11 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 2kvr n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kvr n THR 96 N 3.70 3.41 -2.31 2.61 -1.04 -1.26 -4.94 114.28 114.45 2kvr n THR 96 Ca 0.00 -3.25 -0.37 0.00 -2.04 0.00 0.00 64.05 58.39 2kvr n THR 96 Cb 0.00 -1.35 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 2kvr n THR 96 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kvr s LYS 97 N -2.99 3.01 -0.47 -2.82 2.47 -1.26 -4.94 119.74 112.75 2kvr s LYS 97 Ca 0.54 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.64 2kvr s LYS 97 Cb 0.41 -4.80 0.12 0.00 -1.46 0.00 0.00 37.83 32.10 2kvr s LYS 97 CO -0.22 -2.63 0.23 1.03 0.16 0.00 0.00 175.35 173.92 2kvr s ARG 98 N 6.15 1.98 0.67 4.03 0.52 -1.26 -4.98 118.95 126.06 2kvr s ARG 98 Ca 0.55 -2.19 -0.11 0.00 -0.52 0.00 0.00 55.73 53.45 2kvr s ARG 98 Cb -0.06 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2kvr s ARG 98 CO 0.05 -1.07 1.05 -1.25 0.02 0.00 0.00 175.30 174.10 2kvr s PRO 99 N 0.46 3.18 0.12 3.54 0.04 -1.26 -5.11 135.00 135.97 2kvr s PRO 99 Ca 0.13 0.87 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 2kvr s PRO 99 Cb -0.22 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2kvr s PRO 99 CO -0.04 -0.90 0.14 0.00 0.04 0.00 0.00 177.00 176.23 2kvr s ALA 100 N -3.10 0.34 0.60 8.56 0.00 -1.26 -5.16 121.76 121.75 2kvr s ALA 100 Ca 0.57 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 2kvr s ALA 100 Cb -0.13 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2kvr s ALA 100 CO 0.55 -0.52 1.09 0.00 0.00 0.00 0.00 175.76 176.88 2kvr s MET 101 N -3.97 3.14 0.43 0.00 0.23 -1.26 -4.51 119.30 113.36 2kvr s MET 101 Ca 0.16 1.37 -0.25 0.00 -1.03 0.00 0.00 55.69 55.93 2kvr s MET 101 Cb 0.06 -2.00 -0.08 0.00 -1.53 0.00 0.00 34.83 31.28 2kvr s MET 101 CO -0.03 -0.98 1.34 -0.51 -2.03 0.00 0.00 175.02 172.81 2kvr s LEU 102 N -4.46 4.14 -0.22 0.18 2.01 -0.76 -4.92 118.68 114.66 2kvr s LEU 102 Ca 0.67 2.73 -0.28 0.00 0.01 0.00 0.00 54.13 57.26 2kvr s LEU 102 Cb -0.19 -3.96 -0.05 0.00 0.01 0.00 0.00 46.19 42.00 2kvr s LEU 102 CO 0.36 -1.02 2.08 -1.81 1.01 0.00 0.00 176.35 176.97 2kvr s ASP 103 N -0.71 5.68 0.53 2.29 1.11 -1.26 -4.79 116.67 119.52 2kvr s ASP 103 Ca 0.60 1.84 0.24 0.00 0.18 0.00 0.00 52.55 55.40 2kvr s ASP 103 Cb -0.40 -2.52 1.46 0.00 1.07 0.00 0.00 42.92 42.54 2kvr s ASP 103 CO 0.50 -1.79 2.13 -1.13 1.18 0.00 0.00 175.17 176.06 2kvr h ASN 104 N 13.98 0.00 -0.73 0.27 -0.00 -1.96 0.23 115.58 127.36 2kvr h ASN 104 Ca -0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 55.84 2kvr h ASN 104 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.51 2kvr h ASN 104 CO 0.97 0.08 0.24 -0.08 -0.00 0.00 0.00 177.43 178.64 2kvr h GLU 105 N 0.00 1.13 0.35 6.67 4.57 -1.98 -3.02 114.58 122.30 2kvr h GLU 105 Ca -0.00 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2kvr h GLU 105 Cb 0.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2kvr h GLU 105 CO 0.01 0.96 -0.17 0.00 -1.18 0.00 0.00 179.01 178.64 2kvr h ALA 106 N 1.12 -0.50 -0.05 2.92 0.00 -0.92 -3.37 119.26 118.45 2kvr h ALA 106 Ca 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kvr h ALA 106 Cb 0.30 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kvr h ALA 106 CO -0.01 -0.47 0.03 0.38 0.00 0.00 0.00 179.25 179.18 2kvr h ASP 107 N -1.04 0.07 0.00 0.00 3.04 -1.19 -2.63 116.42 114.66 2kvr h ASP 107 Ca -0.05 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 2kvr h ASP 107 Cb 0.36 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 2kvr h ASP 107 CO 0.08 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 178.04 2kvr n GLY 108 N -0.84 -0.70 0.00 7.15 0.00 -1.14 -2.48 105.19 107.18 2kvr n GLY 108 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kvr n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kvr n ASN 109 N -0.71 0.50 -2.76 1.61 3.02 -1.00 -4.43 115.26 111.50 2kvr n ASN 109 Ca 0.07 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.72 2kvr n ASN 109 Cb 0.03 0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2kvr n LYS 110 N -0.49 0.40 -1.87 3.52 -0.00 -1.04 -5.06 118.16 113.62 2kvr n LYS 110 Ca 0.00 -2.58 -0.32 0.00 -0.00 0.00 0.00 58.31 55.41 2kvr n LYS 110 Cb 0.00 2.21 0.02 0.00 -0.00 0.00 0.00 35.03 37.26 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 -3.00 3.95 -1.44 0.58 -4.23 -1.26 -1.61 115.64 108.63 2kvr s THR 111 Ca 0.30 0.80 0.28 0.00 -1.18 0.00 0.00 61.69 61.89 2kvr s THR 111 Cb 0.01 -3.41 0.32 0.00 1.34 0.00 0.00 72.50 70.75 2kvr s THR 111 CO 0.21 -0.66 1.76 1.15 -0.54 0.00 0.00 174.62 176.54 2kvr n MET 112 N -2.45 0.47 0.03 3.99 0.00 -0.75 -3.66 117.12 114.75 2kvr n MET 112 Ca 0.08 -0.18 0.01 0.00 0.00 0.00 0.00 57.70 57.61 2kvr n MET 112 Cb 0.53 -1.50 0.33 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 0.44 1.19 -0.57 3.17 6.09 -1.64 -1.69 117.51 124.50 2kvr h ILE 113 Ca 0.00 -0.75 -0.10 0.00 -1.37 0.00 0.00 64.86 62.64 2kvr h ILE 113 Cb 0.42 0.99 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 2kvr h ILE 113 CO 0.00 0.25 -0.03 -0.33 -3.07 0.00 0.00 178.15 174.98 2kvr h GLU 114 N 0.43 1.02 0.16 2.19 5.08 -1.86 -0.46 114.58 121.14 2kvr h GLU 114 Ca 0.09 -0.33 -0.32 0.00 -1.00 0.00 0.00 59.36 57.80 2kvr h GLU 114 Cb 0.32 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kvr h GLU 114 CO 0.01 1.01 -1.57 -0.07 -1.00 0.00 0.00 179.01 177.40 2kvr h LEU 115 N 0.93 0.54 -1.07 1.33 3.38 -1.76 -3.31 115.31 115.34 2kvr h LEU 115 Ca 0.16 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 2kvr h LEU 115 Cb 0.57 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kvr h LEU 115 CO 0.03 1.59 -0.16 0.77 0.09 0.00 0.00 178.44 180.76 2kvr h SER 116 N 0.09 0.00 -3.48 -0.43 4.64 -1.16 -3.47 113.55 109.74 2kvr h SER 116 Ca -0.27 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.75 2kvr h SER 116 Cb 2.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 64.20 2kvr h SER 116 CO 0.19 0.16 -0.45 -0.67 -0.87 0.00 0.00 176.83 175.19 2kvr n ASP 117 N -3.29 -4.94 -1.32 4.97 2.03 -0.20 -1.73 116.55 112.07 2kvr n ASP 117 Ca 0.01 -0.22 -0.17 0.00 0.52 0.00 0.00 54.79 54.92 2kvr n ASP 117 Cb 0.42 -3.78 -0.07 0.00 -0.72 0.00 0.00 41.12 36.97 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 -1.40 -5.39 -4.52 1.67 3.02 -1.20 -4.98 115.26 102.46 2kvr n ASN 118 Ca -0.08 0.43 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 2kvr n ASN 118 Cb 0.59 -4.41 -0.12 0.00 -0.61 0.00 0.00 39.78 35.23 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 -3.45 3.74 -0.02 3.52 2.12 -0.70 -5.11 118.70 118.81 2kvr s GLU 119 Ca 0.00 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 2kvr s GLU 119 Cb 0.00 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2kvr s GLU 119 CO 0.00 0.16 0.08 0.54 -0.54 0.00 0.00 175.26 175.49 2kvr s ASN 120 N 0.63 -0.02 -0.02 -1.70 6.03 -1.26 -3.85 114.94 114.75 2kvr s ASN 120 Ca 0.00 0.00 -0.30 0.00 -1.03 0.00 0.00 52.86 51.53 2kvr s ASN 120 Cb -0.14 0.17 -0.04 0.00 -3.03 0.00 0.00 41.25 38.21 2kvr s ASN 120 CO 0.02 -0.13 1.29 -2.16 -2.03 0.00 0.00 177.10 174.09 2kvr s PRO 121 N -0.45 4.32 -0.57 3.55 0.04 -1.26 -4.98 135.00 135.66 2kvr s PRO 121 Ca -0.05 1.81 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 2kvr s PRO 121 Cb -0.03 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 30.98 2kvr s PRO 121 CO 0.00 -0.50 1.24 -0.46 0.04 0.00 0.00 177.00 177.33 2kvr s TRP 122 N 2.23 2.53 -0.19 0.56 -0.00 -0.34 -4.64 118.94 119.09 2kvr s TRP 122 Ca 0.60 0.43 -0.29 0.00 -0.00 0.00 0.00 56.10 56.83 2kvr s TRP 122 Cb -0.28 -4.49 -0.00 0.00 -0.00 0.00 0.00 33.47 28.70 2kvr s TRP 122 CO 0.24 -1.68 1.09 0.99 -0.00 0.00 0.00 176.95 177.59 2kvr s THR 123 N 5.19 4.59 0.06 5.86 2.01 -1.26 -0.60 115.64 131.49 2kvr s THR 123 Ca 0.45 1.91 -0.03 0.00 0.31 0.00 0.00 61.69 64.33 2kvr s THR 123 Cb -0.08 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 2kvr s THR 123 CO 0.25 -0.13 0.02 -0.51 -0.69 0.00 0.00 174.62 173.56 2kvr s ILE 124 N 3.02 0.20 -0.12 1.82 2.07 -0.13 -1.63 121.20 126.44 2kvr s ILE 124 Ca 0.48 -1.65 -0.02 0.00 -1.41 0.00 0.00 60.65 58.05 2kvr s ILE 124 Cb -0.17 -1.45 -0.03 0.00 0.13 0.00 0.00 42.46 40.94 2kvr s ILE 124 CO 0.10 -0.91 -0.05 -0.36 -1.91 0.00 0.00 174.94 171.81 2kvr s PHE 125 N -3.84 2.98 0.12 3.50 0.08 -0.06 -3.52 117.98 117.25 2kvr s PHE 125 Ca 0.06 -0.18 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 2kvr s PHE 125 Cb 0.07 -1.85 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 2kvr s PHE 125 CO -0.10 0.12 0.90 -1.17 -0.10 0.00 0.00 175.22 174.87 2kvr s LEU 126 N -0.16 4.52 -0.02 -0.37 0.20 -0.99 -1.72 118.68 120.15 2kvr s LEU 126 Ca 0.02 1.74 0.04 0.00 0.69 0.00 0.00 54.13 56.63 2kvr s LEU 126 Cb -0.13 -3.50 -0.01 0.00 -0.43 0.00 0.00 46.19 42.13 2kvr s LEU 126 CO 0.03 0.01 -0.15 -0.70 -0.29 0.00 0.00 176.35 175.25 2kvr s GLU 127 N -0.31 1.34 0.00 1.98 2.56 0.11 -4.89 118.70 119.49 2kvr s GLU 127 Ca 0.43 -0.54 0.25 0.00 0.00 0.00 0.00 54.97 55.11 2kvr s GLU 127 Cb -0.23 -1.25 0.32 0.00 2.00 0.00 0.00 34.13 34.96 2kvr s GLU 127 CO 0.29 0.29 1.33 2.41 -0.56 0.00 0.00 175.26 179.02