#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 0.15 -0.07 0.54 10.64 -1.26 -3.68 117.38 123.70 2kvr n GLN 2 Ca 0.00 0.02 -0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2kvr n GLN 2 Cb 0.00 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.15 2kvr n GLN 2 CO 0.00 0.00 0.00 -0.56 -1.83 0.00 0.00 177.06 174.67 2kvr h GLN 3 N 0.00 0.68 -0.55 2.61 -0.00 -2.05 -1.62 115.11 114.18 2kvr h GLN 3 Ca 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 2kvr h GLN 3 Cb 0.41 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.48 27.74 2kvr h GLN 3 CO 0.00 0.60 0.27 -0.07 -0.00 0.00 0.00 178.83 179.63 2kvr h LEU 4 N 0.67 0.71 0.09 0.06 -0.00 -2.01 -1.72 115.31 113.12 2kvr h LEU 4 Ca 0.16 -0.12 -0.27 0.00 -0.00 0.00 0.00 57.88 57.65 2kvr h LEU 4 Cb 0.20 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2kvr h LEU 4 CO -0.01 0.64 -1.25 1.62 -0.00 0.00 0.00 178.44 179.43 2kvr h VAL 5 N 0.74 1.47 0.66 1.22 3.04 -1.79 -3.17 116.25 118.43 2kvr h VAL 5 Ca 0.19 -3.09 -0.03 0.00 -1.01 0.00 0.00 66.70 62.76 2kvr h VAL 5 Cb 0.10 2.87 0.01 0.00 -2.01 0.00 0.00 31.29 32.26 2kvr h VAL 5 CO -0.03 0.89 -0.32 -0.08 -1.01 0.00 0.00 177.57 177.02 2kvr h GLU 6 N 0.05 -0.86 -0.75 4.17 4.57 -1.13 -2.24 114.58 118.39 2kvr h GLU 6 Ca -0.13 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2kvr h GLU 6 Cb 1.93 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 30.68 2kvr h GLU 6 CO 0.17 -0.57 0.49 0.07 -1.18 0.00 0.00 179.01 177.99 2kvr h ARG 7 N -0.89 1.00 -0.67 1.92 -0.00 -1.47 -2.69 114.38 111.57 2kvr h ARG 7 Ca -0.09 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.98 59.77 2kvr h ARG 7 Cb 0.68 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.97 30.40 2kvr h ARG 7 CO 0.15 0.68 0.22 1.25 -0.00 0.00 0.00 179.97 182.26 2kvr h LEU 8 N 1.03 0.97 -0.25 0.08 6.46 -1.48 -2.51 115.31 119.61 2kvr h LEU 8 Ca 0.27 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2kvr h LEU 8 Cb -0.09 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.57 2kvr h LEU 8 CO -0.06 0.92 -0.02 1.56 -0.62 0.00 0.00 178.44 180.22 2kvr h GLN 9 N 0.98 0.46 -0.59 1.25 4.20 -1.17 -0.49 115.11 119.74 2kvr h GLN 9 Ca 0.22 -0.16 0.12 0.00 0.06 0.00 0.00 58.65 58.89 2kvr h GLN 9 Cb 0.29 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2kvr h GLN 9 CO -0.01 0.65 0.40 0.93 -0.67 0.00 0.00 178.83 180.14 2kvr h GLU 10 N 0.22 0.28 0.00 1.46 4.39 -1.16 -2.33 114.58 117.46 2kvr h GLU 10 Ca 0.07 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2kvr h GLU 10 Cb 0.46 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kvr h GLU 10 CO 0.02 0.19 -0.51 0.93 -1.16 0.00 0.00 179.01 178.48 2kvr h GLU 11 N 0.29 0.00 0.00 2.33 5.08 -1.42 -3.41 114.58 117.45 2kvr h GLU 11 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2kvr h GLU 11 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2kvr h GLU 11 CO -0.06 0.34 0.00 1.57 -1.00 0.00 0.00 179.01 179.86 2kvr h LYS 12 N -1.00 0.00 -0.43 2.33 2.10 -0.88 -3.17 116.57 115.52 2kvr h LYS 12 Ca -0.08 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.70 2kvr h LYS 12 Cb 0.63 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 2kvr h LYS 12 CO -0.05 0.00 0.62 0.07 -2.00 0.00 0.00 179.45 178.09 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 0.11 -1.66 -0.54 114.38 112.36 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 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 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 -3.37 0.76 0.27 0.08 -0.00 -1.20 -4.03 119.36 111.88 2kvr n ILE 14 Ca 0.08 0.13 0.12 0.00 -0.00 0.00 0.00 62.75 63.09 2kvr n ILE 14 Cb 0.79 -0.97 0.78 0.00 -0.00 0.00 0.00 39.64 40.24 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 0.00 6.28 4.11 -1.39 -1.12 114.58 122.46 2kvr h GLU 15 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kvr h GLU 15 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2kvr h GLU 15 CO 0.00 0.06 -0.00 0.00 0.07 0.00 0.00 179.01 179.14 2kvr h ALA 16 N 1.94 1.10 0.00 1.06 0.00 -1.82 -2.65 119.26 118.89 2kvr h ALA 16 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kvr h ALA 16 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kvr h ALA 16 CO 0.01 0.00 -0.33 1.04 0.00 0.00 0.00 179.25 179.97 2kvr n GLN 17 N -3.22 0.08 0.17 0.00 6.02 -0.63 -4.90 117.38 114.90 2kvr n GLN 17 Ca -0.03 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 2kvr n GLN 17 Cb 0.07 -0.65 0.08 0.00 1.02 0.00 0.00 30.24 30.77 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2kvr h LYS 18 N -0.15 0.00 -0.46 -1.09 1.63 -1.34 -3.11 116.57 112.05 2kvr h LYS 18 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2kvr h LYS 18 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2kvr h LYS 18 CO -0.01 0.14 0.00 -2.13 -3.45 0.00 0.00 179.45 174.00 2kvr n ARG 19 N -3.04 1.58 -1.51 1.90 0.63 -1.00 -4.46 116.66 110.77 2kvr n ARG 19 Ca 0.02 -0.64 -0.39 0.00 -0.92 0.00 0.00 57.85 55.92 2kvr n ARG 19 Cb 0.61 -1.35 -0.14 0.00 0.45 0.00 0.00 32.46 32.03 2kvr n ARG 19 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kvr n LYS 20 N 0.05 0.12 -2.04 -0.14 0.00 -1.18 -4.81 118.16 110.16 2kvr n LYS 20 Ca 0.06 -0.01 -0.43 0.00 0.00 0.00 0.00 58.31 57.93 2kvr n LYS 20 Cb 0.27 -1.69 -0.03 0.00 0.00 0.00 0.00 35.03 33.58 2kvr n LYS 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2kvr s GLU 21 N 8.80 3.51 0.30 1.64 2.12 -1.26 -4.94 118.70 128.86 2kvr s GLU 21 Ca 1.31 1.52 -0.02 0.00 0.36 0.00 0.00 54.97 58.14 2kvr s GLU 21 Cb -1.11 -4.14 0.01 0.00 0.26 0.00 0.00 34.13 29.15 2kvr s GLU 21 CO 0.47 -1.65 0.42 2.89 -0.54 0.00 0.00 175.26 176.85 2kvr n ARG 22 N 8.16 0.61 -1.19 4.30 1.85 -1.26 -5.19 116.66 123.94 2kvr n ARG 22 Ca 0.21 -2.41 -0.25 0.00 -1.00 0.00 0.00 57.85 54.41 2kvr n ARG 22 Cb 0.46 2.32 0.19 0.00 -1.05 0.00 0.00 32.46 34.38 2kvr n ARG 22 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kvr n GLN 23 N -0.50 -2.00 -2.12 2.89 10.64 -1.26 -4.99 117.38 120.04 2kvr n GLN 23 Ca 0.01 -1.57 -0.42 0.00 -1.83 0.00 0.00 57.00 53.19 2kvr n GLN 23 Cb 0.50 -1.26 -0.03 0.00 -0.86 0.00 0.00 30.24 28.60 2kvr n GLN 23 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2kvr s GLU 24 N -5.22 4.26 0.00 2.61 -1.05 -1.26 -4.93 118.70 113.12 2kvr s GLU 24 Ca 0.61 2.10 0.00 0.00 -0.15 0.00 0.00 54.97 57.52 2kvr s GLU 24 Cb -0.04 -3.51 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 2kvr s GLU 24 CO 0.45 -0.59 0.00 0.00 0.95 0.00 0.00 175.26 176.06 2kvr n ALA 25 N 5.14 0.00 0.11 -0.84 0.00 -1.26 -4.99 120.51 118.66 2kvr n ALA 25 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.59 2kvr n ALA 25 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 1.44 0.00 1.44 -1.26 -1.69 115.22 115.15 2kvr n HIS 26 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2kvr n HIS 26 Cb 0.00 -0.38 0.59 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.38 0.00 -1.03 2.39 7.99 -1.26 -4.25 117.00 119.46 2kvr n LEU 27 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 2kvr n LEU 27 Cb 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2kvr n LEU 27 CO 0.02 0.00 0.00 -1.22 -1.51 0.00 0.00 177.39 174.68 2kvr n TYR 28 N -0.93 0.00 -0.96 -1.77 4.02 -0.68 -1.38 117.16 115.46 2kvr n TYR 28 Ca 0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.67 2kvr n TYR 28 Cb 0.07 -0.09 -0.05 0.00 -0.02 0.00 0.00 39.34 39.24 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 0.96 0.00 -3.04 -0.72 0.00 0.31 -2.90 117.12 111.73 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 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 33.22 32.27 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 0.74 4.49 -0.07 2.12 1.11 -1.26 -1.63 119.66 125.17 2kvr s GLN 30 Ca 0.58 1.07 -0.01 0.00 0.01 0.00 0.00 55.36 57.01 2kvr s GLN 30 Cb -0.81 -3.25 0.03 0.00 -1.01 0.00 0.00 33.01 27.96 2kvr s GLN 30 CO 0.40 0.58 -0.02 0.54 0.01 0.00 0.00 175.29 176.81 2kvr s VAL 31 N -1.15 0.48 -0.43 1.09 0.11 -0.77 -2.18 120.40 117.55 2kvr s VAL 31 Ca 0.35 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 2kvr s VAL 31 Cb -0.22 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2kvr s VAL 31 CO 0.25 0.26 0.97 -1.10 -3.33 0.00 0.00 175.10 172.15 2kvr s GLN 32 N 1.69 3.70 -0.03 1.54 -0.21 0.28 -2.04 119.66 124.59 2kvr s GLN 32 Ca 0.01 0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.86 2kvr s GLN 32 Cb -0.13 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 29.99 2kvr s GLN 32 CO -0.04 -1.14 -0.17 0.42 -2.12 0.00 0.00 175.29 172.23 2kvr s ILE 33 N 3.78 2.82 -0.02 1.08 -1.09 -0.75 -0.48 121.20 126.54 2kvr s ILE 33 Ca 0.40 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2kvr s ILE 33 Cb -0.10 -2.10 0.01 0.00 -1.58 0.00 0.00 42.46 38.69 2kvr s ILE 33 CO 0.24 0.54 -0.04 0.68 -1.23 0.00 0.00 174.94 175.13 2kvr s VAL 34 N -0.75 0.38 0.46 2.92 -7.23 -1.08 -1.18 120.40 113.92 2kvr s VAL 34 Ca 0.12 -0.14 0.07 0.00 -1.81 0.00 0.00 61.98 60.22 2kvr s VAL 34 Cb -0.10 -0.37 0.02 0.00 0.56 0.00 0.00 36.38 36.49 2kvr s VAL 34 CO 0.01 0.14 0.63 0.00 -0.31 0.00 0.00 175.10 175.57 2kvr s ALA 35 N 0.30 4.42 -0.10 1.32 0.00 -1.22 -2.29 121.76 124.18 2kvr s ALA 35 Ca -0.03 -1.64 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 2kvr s ALA 35 Cb -0.07 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.39 2kvr s ALA 35 CO -0.00 -0.42 0.22 -2.00 0.00 0.00 0.00 175.76 173.56 2kvr s GLU 36 N -4.45 0.18 0.20 0.00 2.56 -1.26 -4.27 118.70 111.65 2kvr s GLU 36 Ca 0.56 0.49 0.16 0.00 0.00 0.00 0.00 54.97 56.18 2kvr s GLU 36 Cb -0.10 -0.14 -0.01 0.00 2.00 0.00 0.00 34.13 35.89 2kvr s GLU 36 CO 0.34 -0.16 1.19 0.22 -0.56 0.00 0.00 175.26 176.29 2kvr h ASP 37 N 7.21 0.00 -0.93 -1.70 1.82 -1.89 -3.39 116.42 117.54 2kvr h ASP 37 Ca -0.41 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.35 2kvr h ASP 37 Cb 1.15 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.08 2kvr h ASP 37 CO 0.39 0.49 0.55 -0.61 -1.61 0.00 0.00 179.24 178.44 2kvr h GLN 38 N 0.00 0.82 -0.26 0.28 4.15 -1.96 0.14 115.11 118.28 2kvr h GLN 38 Ca -0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2kvr h GLN 38 Cb 1.43 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2kvr h GLN 38 CO 0.05 0.54 0.00 1.97 -1.93 0.00 0.00 178.83 179.47 2kvr n PHE 39 N -4.72 0.00 0.00 3.99 1.16 -1.26 -4.51 117.46 112.12 2kvr n PHE 39 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.76 2kvr n PHE 39 Cb 0.37 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.22 2kvr n PHE 39 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2kvr h GLY 41 N 0.00 0.07 0.00 0.00 0.00 -1.06 -3.47 103.07 98.60 2kvr h GLY 41 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2kvr h GLY 41 CO 0.00 0.10 0.00 1.42 0.00 0.00 0.00 176.54 178.06 2kvr n HIS 42 N -3.70 0.00 -2.28 5.60 8.25 -1.19 -4.98 115.22 116.93 2kvr n HIS 42 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 2kvr n HIS 42 Cb 0.71 -0.55 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2kvr n HIS 42 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2kvr s GLN 43 N -0.51 3.00 -0.54 -0.41 0.74 -1.26 -4.85 119.66 115.82 2kvr s GLN 43 Ca 0.00 -0.55 -0.01 0.00 0.05 0.00 0.00 55.36 54.85 2kvr s GLN 43 Cb 0.00 -5.08 0.39 0.00 1.10 0.00 0.00 33.01 29.42 2kvr s GLN 43 CO 0.00 -2.80 2.01 0.41 -0.55 0.00 0.00 175.29 174.36 2kvr n GLY 44 N 6.70 5.20 3.90 2.59 0.00 -1.26 -4.80 105.19 117.52 2kvr n GLY 44 Ca 0.34 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.15 4.85 0.00 1.61 -0.87 -1.26 -5.01 114.94 113.11 2kvr s ASN 45 Ca 0.53 0.88 0.10 0.00 -1.57 0.00 0.00 52.86 52.79 2kvr s ASN 45 Cb 0.42 -1.48 0.25 0.00 -0.02 0.00 0.00 41.25 40.41 2kvr s ASN 45 CO -0.00 -1.69 1.17 -0.67 -2.57 0.00 0.00 177.10 173.34 2kvr n ASP 46 N -3.18 2.69 -3.09 -1.22 2.03 -1.26 -4.89 116.55 107.63 2kvr n ASP 46 Ca 0.08 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2kvr n ASP 46 Cb 0.60 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2kvr n ASP 46 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2kvr n MET 47 N 0.43 1.53 -2.03 -0.67 0.00 -1.26 -4.87 117.12 110.27 2kvr n MET 47 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.40 2kvr n MET 47 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.59 2kvr n MET 47 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2kvr n TYR 48 N -0.06 3.57 -2.60 3.17 4.19 -1.26 -4.93 117.16 119.23 2kvr n TYR 48 Ca 0.00 -2.47 -0.42 0.00 3.31 0.00 0.00 57.90 58.32 2kvr n TYR 48 Cb 0.00 -2.47 -0.03 0.00 0.49 0.00 0.00 39.34 37.33 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 4.46 6.37 0.25 2.98 1.11 -1.26 -4.89 116.67 125.69 2kvr s ASP 49 Ca 0.55 -0.07 0.17 0.00 0.18 0.00 0.00 52.55 53.39 2kvr s ASP 49 Cb 0.08 -2.54 0.91 0.00 1.07 0.00 0.00 42.92 42.44 2kvr s ASP 49 CO 0.05 -1.53 1.53 -0.62 1.18 0.00 0.00 175.17 175.77 2kvr n GLU 50 N 8.54 0.11 0.14 8.23 4.71 -1.26 -0.86 120.64 140.26 2kvr n GLU 50 Ca 0.07 0.59 -0.07 0.00 -0.01 0.00 0.00 57.16 57.73 2kvr n GLU 50 Cb 0.49 -1.85 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 2kvr n GLU 50 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2kvr h GLU 51 N 0.00 -0.43 -0.97 3.49 4.39 -1.91 -3.38 114.58 115.77 2kvr h GLU 51 Ca 0.00 0.03 -0.66 0.00 0.34 0.00 0.00 59.36 59.07 2kvr h GLU 51 Cb 0.03 0.10 -0.32 0.00 -0.10 0.00 0.00 28.75 28.46 2kvr h GLU 51 CO 0.00 -0.29 0.54 1.63 -1.16 0.00 0.00 179.01 179.73 2kvr n LYS 52 N -4.96 2.88 -0.98 2.33 4.01 -0.64 -3.46 118.16 117.34 2kvr n LYS 52 Ca -0.06 -3.47 -0.29 0.00 -0.51 0.00 0.00 58.31 53.98 2kvr n LYS 52 Cb 0.18 -2.29 0.22 0.00 -0.51 0.00 0.00 35.03 32.62 2kvr n LYS 52 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2kvr s VAL 53 N -4.79 1.86 0.95 -0.18 -7.23 -0.04 -4.82 120.40 106.15 2kvr s VAL 53 Ca 0.62 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.68 2kvr s VAL 53 Cb 0.49 -2.38 0.16 0.00 0.56 0.00 0.00 36.38 35.21 2kvr s VAL 53 CO -0.01 0.00 1.12 -0.54 -0.31 0.00 0.00 175.10 175.36 2kvr s LYS 54 N -4.97 0.79 -0.73 4.82 3.01 -1.26 -4.81 119.74 116.59 2kvr s LYS 54 Ca 0.67 1.34 -0.28 0.00 -1.01 0.00 0.00 55.97 56.70 2kvr s LYS 54 Cb -0.18 -1.72 -0.14 0.00 -1.01 0.00 0.00 37.83 34.79 2kvr s LYS 54 CO 0.59 -2.72 2.55 0.66 0.51 0.00 0.00 175.35 176.94 2kvr n TYR 55 N -4.28 1.02 -2.34 3.18 4.01 -1.26 -4.86 117.16 112.64 2kvr n TYR 55 Ca 0.10 0.24 -0.42 0.00 -0.16 0.00 0.00 57.90 57.65 2kvr n TYR 55 Cb 0.53 -2.51 -0.02 0.00 -0.31 0.00 0.00 39.34 37.02 2kvr n TYR 55 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2kvr s THR 56 N 10.73 3.84 -0.50 -0.72 -1.32 -0.33 -4.75 115.64 122.59 2kvr s THR 56 Ca 1.16 0.81 -0.21 0.00 -1.21 0.00 0.00 61.69 62.24 2kvr s THR 56 Cb -0.68 -4.24 0.05 0.00 -1.51 0.00 0.00 72.50 66.12 2kvr s THR 56 CO 0.37 -0.87 0.70 0.54 -2.21 0.00 0.00 174.62 173.15 2kvr s VAL 57 N 5.78 4.75 -0.35 5.08 0.11 -1.26 -1.81 120.40 132.71 2kvr s VAL 57 Ca 0.60 -0.18 -0.16 0.00 -2.93 0.00 0.00 61.98 59.30 2kvr s VAL 57 Cb -0.13 -4.33 -0.01 0.00 -1.53 0.00 0.00 36.38 30.38 2kvr s VAL 57 CO 0.30 -0.83 0.41 -0.36 -3.33 0.00 0.00 175.10 171.30 2kvr s PHE 58 N 2.97 3.20 -0.48 1.54 0.08 -0.86 -4.86 117.98 119.56 2kvr s PHE 58 Ca 0.20 -0.01 -0.17 0.00 0.12 0.00 0.00 56.93 57.08 2kvr s PHE 58 Cb -0.17 -2.76 0.07 0.00 -0.57 0.00 0.00 43.02 39.59 2kvr s PHE 58 CO 0.15 -0.49 0.46 -1.59 -0.10 0.00 0.00 175.22 173.66 2kvr s LYS 59 N 2.13 3.02 0.19 0.44 0.00 -1.26 -1.85 119.74 122.41 2kvr s LYS 59 Ca 0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 55.97 54.89 2kvr s LYS 59 Cb -0.16 -4.12 -0.04 0.00 0.00 0.00 0.00 37.83 33.51 2kvr s LYS 59 CO 0.12 -1.08 0.13 0.14 0.00 0.00 0.00 175.35 174.66 2kvr s VAL 60 N 1.94 0.02 -0.46 1.79 -7.23 -0.65 -4.82 120.40 110.99 2kvr s VAL 60 Ca 0.07 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.00 2kvr s VAL 60 Cb -0.23 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.32 2kvr s VAL 60 CO 0.08 -0.09 1.46 -0.76 -0.31 0.00 0.00 175.10 175.49 2kvr s LEU 61 N -3.13 3.51 0.39 1.32 2.01 -1.24 -0.53 118.68 121.01 2kvr s LEU 61 Ca 0.36 0.68 0.07 0.00 0.01 0.00 0.00 54.13 55.24 2kvr s LEU 61 Cb 0.07 -3.35 0.81 0.00 0.01 0.00 0.00 46.19 43.73 2kvr s LEU 61 CO 0.10 -1.58 2.03 0.07 1.01 0.00 0.00 176.35 177.98 2kvr h LYS 62 N 11.18 0.62 0.00 1.70 2.10 -1.56 -2.18 116.57 128.42 2kvr h LYS 62 Ca -0.28 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2kvr h LYS 62 Cb 1.11 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2kvr h LYS 62 CO 1.11 0.41 0.00 0.27 -2.00 0.00 0.00 179.45 179.24 2kvr n ASN 63 N -4.47 0.11 -4.95 7.07 6.94 -1.26 -2.92 115.26 115.79 2kvr n ASN 63 Ca 0.05 0.51 -0.19 0.00 -0.02 0.00 0.00 54.58 54.94 2kvr n ASN 63 Cb 0.11 -0.54 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2kvr s SER 64 N -3.21 5.30 0.62 0.53 0.15 -0.82 -4.68 113.70 111.58 2kvr s SER 64 Ca 0.12 -0.64 -0.17 0.00 0.70 0.00 0.00 55.95 55.96 2kvr s SER 64 Cb 0.16 -0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2kvr s SER 64 CO 0.49 -0.77 1.17 -0.94 1.20 0.00 0.00 173.24 174.39 2kvr s SER 65 N -4.27 5.08 0.54 5.45 1.04 -1.26 -2.94 113.70 117.32 2kvr s SER 65 Ca 0.52 2.27 0.28 0.00 0.48 0.00 0.00 55.95 59.49 2kvr s SER 65 Cb -0.06 -2.58 1.53 0.00 0.10 0.00 0.00 66.02 65.00 2kvr s SER 65 CO 0.31 -1.66 2.11 0.25 0.98 0.00 0.00 173.24 175.22 2kvr h LEU 66 N 0.55 0.00 -1.00 2.42 7.12 -1.33 -3.03 115.31 120.04 2kvr h LEU 66 Ca -0.49 0.00 0.20 0.00 0.13 0.00 0.00 57.88 57.71 2kvr h LEU 66 Cb 1.28 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.30 2kvr h LEU 66 CO 0.54 0.09 0.60 0.00 -0.13 0.00 0.00 178.44 179.55 2kvr h ALA 67 N 1.91 1.67 -0.26 1.25 0.00 -1.80 -0.06 119.26 121.96 2kvr h ALA 67 Ca -0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2kvr h ALA 67 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kvr h ALA 67 CO 0.01 -0.08 -0.42 0.93 0.00 0.00 0.00 179.25 179.69 2kvr h GLU 68 N 0.73 0.63 -0.58 0.00 5.08 -1.88 -2.58 114.58 115.98 2kvr h GLU 68 Ca 0.58 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 2kvr h GLU 68 Cb 0.93 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2kvr h GLU 68 CO -0.40 0.93 -0.01 0.35 -1.00 0.00 0.00 179.01 178.89 2kvr h PHE 69 N 0.51 1.13 0.20 4.33 3.57 -1.28 -2.59 116.94 122.82 2kvr h PHE 69 Ca 0.04 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2kvr h PHE 69 Cb 0.95 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2kvr h PHE 69 CO 0.04 1.01 -0.09 0.28 -2.23 0.00 0.00 178.31 177.32 2kvr h VAL 70 N 0.93 0.83 -0.34 1.41 2.07 -0.96 -1.27 116.25 118.93 2kvr h VAL 70 Ca 0.16 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2kvr h VAL 70 Cb 0.56 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2kvr h VAL 70 CO 0.03 0.03 -0.00 0.06 0.02 0.00 0.00 177.57 177.71 2kvr h GLN 71 N -0.32 0.52 -0.28 1.57 3.07 -1.49 0.33 115.11 118.51 2kvr h GLN 71 Ca -0.03 -0.11 -0.05 0.00 0.09 0.00 0.00 58.65 58.55 2kvr h GLN 71 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 2kvr h GLN 71 CO 0.04 0.55 -0.01 0.77 0.09 0.00 0.00 178.83 180.28 2kvr h SER 72 N 0.50 0.49 0.48 0.06 0.02 -1.33 -2.82 113.55 110.95 2kvr h SER 72 Ca 0.11 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 2kvr h SER 72 Cb 0.33 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2kvr h SER 72 CO 0.01 0.69 -0.49 0.25 -1.14 0.00 0.00 176.83 176.15 2kvr h LEU 73 N 0.28 0.02 -0.20 5.07 6.46 -0.80 -2.62 115.31 123.52 2kvr h LEU 73 Ca 0.08 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2kvr h LEU 73 Cb 0.44 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2kvr h LEU 73 CO 0.02 0.50 0.10 -1.28 -0.62 0.00 0.00 178.44 177.16 2kvr h SER 74 N 0.01 0.25 0.05 1.25 0.87 -0.85 -2.95 113.55 112.17 2kvr h SER 74 Ca -0.00 -0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.24 2kvr h SER 74 Cb 0.87 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2kvr h SER 74 CO 0.06 0.27 -0.83 1.56 -0.53 0.00 0.00 176.83 177.37 2kvr h GLN 75 N 0.21 0.63 -0.01 2.24 1.08 -1.38 -0.98 115.11 116.89 2kvr h GLN 75 Ca 0.07 -0.55 -0.17 0.00 -1.45 0.00 0.00 58.65 56.55 2kvr h GLN 75 Cb 0.08 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2kvr h GLN 75 CO -0.01 1.17 -0.75 0.00 -0.95 0.00 0.00 178.83 178.29 2kvr h THR 76 N 0.41 1.48 0.00 -0.54 1.03 -1.49 -3.32 112.91 110.48 2kvr h THR 76 Ca -0.06 -2.41 -0.06 0.00 -0.01 0.00 0.00 66.41 63.87 2kvr h THR 76 Cb 1.44 2.30 -0.01 0.00 -1.07 0.00 0.00 68.15 70.82 2kvr h THR 76 CO 0.16 0.70 -1.59 0.23 -0.01 0.00 0.00 175.52 175.01 2kvr n MET 77 N -3.72 0.92 -0.44 0.00 2.81 -1.12 -5.02 117.12 110.55 2kvr n MET 77 Ca -0.02 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2kvr n MET 77 Cb 0.72 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 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 1.99 0.75 3.74 3.03 0.00 -0.39 -5.08 105.19 109.22 2kvr n GLY 78 Ca -0.07 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 3.86 0.13 1.61 0.40 -1.07 -5.01 117.98 115.90 2kvr s PHE 79 Ca 0.00 1.83 -0.31 0.00 -0.60 0.00 0.00 56.93 57.85 2kvr s PHE 79 Cb 0.00 -3.03 -0.10 0.00 0.51 0.00 0.00 43.02 40.40 2kvr s PHE 79 CO 0.00 0.28 1.83 -1.25 0.70 0.00 0.00 175.22 176.78 2kvr s PRO 80 N -0.34 4.13 0.46 0.24 0.04 -1.26 -4.32 135.00 133.95 2kvr s PRO 80 Ca 0.45 2.61 0.14 0.00 0.04 0.00 0.00 61.00 64.24 2kvr s PRO 80 Cb -0.24 -3.58 1.06 0.00 0.04 0.00 0.00 34.50 31.78 2kvr s PRO 80 CO 0.30 -0.84 2.03 -0.56 0.04 0.00 0.00 177.00 177.97 2kvr h GLN 81 N 8.55 0.04 0.00 4.56 3.07 -1.91 -0.71 115.11 128.71 2kvr h GLN 81 Ca -0.46 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.23 2kvr h GLN 81 Cb 1.22 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 2kvr h GLN 81 CO 0.95 0.15 -0.18 0.22 0.09 0.00 0.00 178.83 180.06 2kvr h ASP 82 N 0.04 0.00 -0.38 0.06 3.58 -1.96 -2.92 116.42 114.83 2kvr h ASP 82 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kvr h ASP 82 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2kvr h ASP 82 CO 0.01 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 176.56 2kvr n GLN 83 N -3.66 2.62 -2.28 0.28 6.02 -0.34 -4.92 117.38 115.10 2kvr n GLN 83 Ca -0.01 -2.08 -0.39 0.00 -0.01 0.00 0.00 57.00 54.51 2kvr n GLN 83 Cb 0.31 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 2kvr n GLN 83 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kvr s ILE 84 N -1.02 3.55 -0.21 5.09 1.01 -0.78 -4.01 121.20 124.84 2kvr s ILE 84 Ca 0.27 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 2kvr s ILE 84 Cb 0.15 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2kvr s ILE 84 CO 0.19 -1.37 0.30 -0.13 0.00 0.00 0.00 174.94 173.93 2kvr s ARG 85 N 6.37 4.16 -0.00 2.79 3.00 -0.94 -4.99 118.95 129.33 2kvr s ARG 85 Ca 0.53 0.02 -0.19 0.00 0.00 0.00 0.00 55.73 56.10 2kvr s ARG 85 Cb -0.09 -3.51 -0.06 0.00 0.00 0.00 0.00 34.95 31.29 2kvr s ARG 85 CO 0.14 0.05 0.53 -0.51 0.00 0.00 0.00 175.30 175.51 2kvr s LEU 86 N 1.06 4.43 -0.22 2.53 1.02 -1.26 -1.57 118.68 124.67 2kvr s LEU 86 Ca 0.15 1.09 0.01 0.00 0.02 0.00 0.00 54.13 55.40 2kvr s LEU 86 Cb -0.14 -2.81 0.05 0.00 0.02 0.00 0.00 46.19 43.30 2kvr s LEU 86 CO 0.06 0.17 -0.11 0.26 0.02 0.00 0.00 176.35 176.75 2kvr s TRP 87 N -0.46 2.70 0.58 0.29 0.52 -0.63 -1.10 118.94 120.84 2kvr s TRP 87 Ca 0.28 -1.81 -0.16 0.00 0.02 0.00 0.00 56.10 54.43 2kvr s TRP 87 Cb -0.18 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2kvr s TRP 87 CO 0.16 -0.79 1.05 -1.25 0.02 0.00 0.00 176.95 176.13 2kvr s PRO 88 N 1.30 3.41 0.54 4.98 0.04 -1.26 -1.20 135.00 142.80 2kvr s PRO 88 Ca -0.03 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.00 2kvr s PRO 88 Cb -0.17 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2kvr s PRO 88 CO -0.08 -0.74 1.07 0.00 0.04 0.00 0.00 177.00 177.30 2kvr s MET 89 N -4.06 3.50 0.12 4.56 0.23 -0.98 -4.88 119.30 117.78 2kvr s MET 89 Ca 0.63 1.39 0.03 0.00 -1.03 0.00 0.00 55.69 56.71 2kvr s MET 89 Cb -0.15 -2.05 -0.01 0.00 -1.53 0.00 0.00 34.83 31.09 2kvr s MET 89 CO 0.36 -0.69 0.10 0.00 -2.03 0.00 0.00 175.02 172.76 2kvr n GLN 90 N -1.42 0.15 -1.34 3.16 0.00 -1.26 -5.04 117.38 111.63 2kvr n GLN 90 Ca 0.10 -1.17 -0.39 0.00 0.00 0.00 0.00 57.00 55.54 2kvr n GLN 90 Cb 0.52 0.97 -0.02 0.00 0.00 0.00 0.00 30.24 31.70 2kvr n GLN 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kvr n ALA 91 N -2.19 5.19 -2.81 2.61 0.00 -1.26 -4.90 120.51 117.15 2kvr n ALA 91 Ca -0.04 -3.38 -0.43 0.00 0.00 0.00 0.00 53.44 49.59 2kvr n ALA 91 Cb 0.21 -3.46 -0.03 0.00 0.00 0.00 0.00 19.45 16.18 2kvr n ALA 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kvr s ARG 92 N 3.53 3.49 0.00 0.00 3.00 -1.25 -4.38 118.95 123.33 2kvr s ARG 92 Ca 0.53 -1.38 0.00 0.00 -1.00 0.00 0.00 55.73 53.88 2kvr s ARG 92 Cb 0.14 -4.86 0.00 0.00 0.00 0.00 0.00 34.95 30.23 2kvr s ARG 92 CO -0.02 -1.90 0.00 0.43 0.00 0.00 0.00 175.30 173.81 2kvr n SER 93 N 7.42 0.00 -4.61 -2.12 7.64 -0.55 -5.02 113.62 116.38 2kvr n SER 93 Ca 0.20 -0.99 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 2kvr n SER 93 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 2kvr n SER 93 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2kvr s ASN 94 N -0.96 6.05 0.00 6.43 2.47 -1.26 -2.90 114.94 124.76 2kvr s ASN 94 Ca 0.00 1.53 0.00 0.00 0.42 0.00 0.00 52.86 54.81 2kvr s ASN 94 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2kvr s ASN 94 CO 0.00 -1.54 0.00 0.61 -3.72 0.00 0.00 177.10 172.45 2kvr n GLY 95 N 5.15 2.01 3.32 1.21 0.00 -1.26 -5.06 105.19 110.56 2kvr n GLY 95 Ca 0.22 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.32 -0.63 -0.34 2.61 2.01 -1.14 -5.10 115.64 112.73 2kvr s THR 96 Ca 0.00 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 2kvr s THR 96 Cb 0.00 -0.71 0.13 0.00 0.01 0.00 0.00 72.50 71.94 2kvr s THR 96 CO 0.00 0.06 0.22 -0.75 -0.69 0.00 0.00 174.62 173.46 2kvr s LYS 97 N 2.53 0.47 -0.67 4.92 2.20 -1.26 -1.49 119.74 126.44 2kvr s LYS 97 Ca -0.03 -1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 54.53 2kvr s LYS 97 Cb -0.12 -1.16 0.17 0.00 -1.51 0.00 0.00 37.83 35.21 2kvr s LYS 97 CO -0.14 -1.16 0.48 0.50 -0.36 0.00 0.00 175.35 174.68 2kvr s ARG 98 N 1.40 2.62 -0.17 4.03 6.06 -1.26 -5.08 118.95 126.55 2kvr s ARG 98 Ca 0.16 -2.73 -0.19 0.00 -2.50 0.00 0.00 55.73 50.46 2kvr s ARG 98 Cb -0.20 -3.70 -0.03 0.00 0.06 0.00 0.00 34.95 31.07 2kvr s ARG 98 CO -0.09 -1.19 0.53 -1.25 -2.50 0.00 0.00 175.30 170.80 2kvr s PRO 99 N -0.42 4.25 0.02 5.12 0.04 -1.26 -4.92 135.00 137.83 2kvr s PRO 99 Ca 0.19 0.47 -0.16 0.00 0.04 0.00 0.00 61.00 61.55 2kvr s PRO 99 Cb -0.18 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 30.87 2kvr s PRO 99 CO -0.05 -0.06 0.35 0.00 0.04 0.00 0.00 177.00 177.28 2kvr s ALA 100 N 1.32 -0.84 0.51 8.56 0.00 -1.26 -5.16 121.76 124.90 2kvr s ALA 100 Ca 0.26 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.37 2kvr s ALA 100 Cb -0.15 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2kvr s ALA 100 CO 0.10 -0.37 0.87 0.00 0.00 0.00 0.00 175.76 176.36 2kvr s MET 101 N -2.05 3.63 0.48 0.00 0.23 -1.26 -4.18 119.30 116.15 2kvr s MET 101 Ca -0.08 0.47 -0.21 0.00 -1.03 0.00 0.00 55.69 54.83 2kvr s MET 101 Cb -0.02 -2.28 -0.08 0.00 -1.53 0.00 0.00 34.83 30.92 2kvr s MET 101 CO 0.00 -0.28 1.06 -0.51 -2.03 0.00 0.00 175.02 173.26 2kvr s LEU 102 N -4.65 3.90 -0.47 0.18 2.01 -0.26 -4.96 118.68 114.42 2kvr s LEU 102 Ca 0.51 2.02 -0.27 0.00 0.01 0.00 0.00 54.13 56.40 2kvr s LEU 102 Cb -0.10 -4.47 -0.05 0.00 0.01 0.00 0.00 46.19 41.57 2kvr s LEU 102 CO 0.44 -0.81 2.19 -1.81 1.01 0.00 0.00 176.35 177.37 2kvr s ASP 103 N -1.82 4.90 0.60 2.29 1.01 -1.26 -4.77 116.67 117.61 2kvr s ASP 103 Ca 0.66 1.01 0.31 0.00 0.71 0.00 0.00 52.55 55.24 2kvr s ASP 103 Cb -0.19 -2.51 1.77 0.00 1.01 0.00 0.00 42.92 42.99 2kvr s ASP 103 CO 0.23 -2.54 2.14 -1.13 0.21 0.00 0.00 175.17 174.08 2kvr h ASN 104 N 17.28 0.00 0.74 0.27 -0.00 -1.93 0.13 115.58 132.07 2kvr h ASN 104 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 55.99 2kvr h ASN 104 Cb 1.23 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.56 2kvr h ASN 104 CO 1.14 0.00 -0.35 -0.08 -0.00 0.00 0.00 177.43 178.13 2kvr h GLU 105 N 0.00 -0.95 -0.04 6.67 4.57 -1.99 -3.24 114.58 119.60 2kvr h GLU 105 Ca 0.06 0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2kvr h GLU 105 Cb 0.38 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2kvr h GLU 105 CO -0.00 -0.64 -0.21 0.00 -1.18 0.00 0.00 179.01 176.98 2kvr h ALA 106 N -1.39 0.08 -0.54 2.92 0.00 -1.70 -3.35 119.26 115.27 2kvr h ALA 106 Ca -0.10 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 2kvr h ALA 106 Cb 0.76 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.38 2kvr h ALA 106 CO 0.17 0.06 0.39 -0.25 0.00 0.00 0.00 179.25 179.62 2kvr n ASP 107 N -4.55 4.44 0.00 0.00 8.00 0.38 -1.71 116.55 123.11 2kvr n ASP 107 Ca -0.09 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.45 2kvr n ASP 107 Cb 0.45 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 2kvr n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kvr n GLY 108 N -0.20 -1.39 0.00 0.44 0.00 -1.22 -4.80 105.19 98.02 2kvr n GLY 108 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 4.06 -3.36 1.61 5.15 -0.69 -3.67 115.26 118.35 2kvr n ASN 109 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 2kvr n ASN 109 Cb 0.41 0.12 0.03 0.00 -0.53 0.00 0.00 39.78 39.81 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 -2.32 0.81 -2.46 1.20 -0.00 -0.92 -4.76 118.16 109.71 2kvr n LYS 110 Ca 0.00 -1.44 -0.32 0.00 -0.00 0.00 0.00 58.31 56.54 2kvr n LYS 110 Cb 0.48 -0.11 -0.04 0.00 -0.00 0.00 0.00 35.03 35.36 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 -0.67 4.39 -1.22 0.58 -4.23 -1.26 -0.98 115.64 112.26 2kvr s THR 111 Ca 0.28 1.24 0.29 0.00 -1.18 0.00 0.00 61.69 62.32 2kvr s THR 111 Cb -0.02 -3.65 0.32 0.00 1.34 0.00 0.00 72.50 70.49 2kvr s THR 111 CO 0.18 -0.57 1.89 1.15 -0.54 0.00 0.00 174.62 176.73 2kvr n MET 112 N -1.39 0.22 0.16 3.99 0.00 -1.15 -3.51 117.12 115.45 2kvr n MET 112 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 57.70 57.74 2kvr n MET 112 Cb 0.54 -1.50 0.28 0.00 0.00 0.00 0.00 33.22 32.54 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 0.09 1.34 -0.02 3.17 6.09 -1.83 -2.43 117.51 123.92 2kvr h ILE 113 Ca 0.00 -1.62 -0.09 0.00 -1.37 0.00 0.00 64.86 61.79 2kvr h ILE 113 Cb 0.42 1.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.57 2kvr h ILE 113 CO 0.00 0.46 -0.40 -0.33 -3.07 0.00 0.00 178.15 174.81 2kvr h GLU 114 N 0.00 0.05 0.14 2.19 5.08 -1.87 -2.24 114.58 117.93 2kvr h GLU 114 Ca -0.00 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 2kvr h GLU 114 Cb 0.84 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2kvr h GLU 114 CO 0.06 0.44 -1.81 -0.07 -1.00 0.00 0.00 179.01 176.63 2kvr h LEU 115 N 0.04 0.46 -0.87 1.33 3.38 -1.74 -3.37 115.31 114.54 2kvr h LEU 115 Ca 0.00 -0.92 -0.11 0.00 0.09 0.00 0.00 57.88 56.94 2kvr h LEU 115 Cb 0.73 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kvr h LEU 115 CO 0.05 1.79 -0.41 0.77 0.09 0.00 0.00 178.44 180.74 2kvr h SER 116 N -0.01 0.34 -4.68 -0.43 4.64 -1.39 -3.47 113.55 108.54 2kvr h SER 116 Ca -0.38 -0.14 -0.28 0.00 -0.47 0.00 0.00 61.79 60.51 2kvr h SER 116 Cb 1.99 -0.09 0.11 0.00 -0.31 0.00 0.00 62.40 64.10 2kvr h SER 116 CO 0.10 0.71 -0.54 -0.67 -0.87 0.00 0.00 176.83 175.57 2kvr n ASP 117 N -4.03 -4.12 -1.33 4.97 2.03 -0.85 -3.79 116.55 109.43 2kvr n ASP 117 Ca -0.01 -0.43 -0.16 0.00 0.52 0.00 0.00 54.79 54.71 2kvr n ASP 117 Cb 0.49 -3.94 -0.05 0.00 -0.72 0.00 0.00 41.12 36.90 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 -2.15 -4.82 -4.88 1.67 3.02 -1.22 -5.00 115.26 101.87 2kvr n ASN 118 Ca -0.07 0.29 -0.26 0.00 -0.03 0.00 0.00 54.58 54.50 2kvr n ASN 118 Cb 0.58 -3.75 -0.04 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.67 3.21 -0.24 3.52 -1.05 -1.25 -5.13 118.70 114.08 2kvr s GLU 119 Ca 0.00 -0.71 -0.17 0.00 -0.15 0.00 0.00 54.97 53.94 2kvr s GLU 119 Cb 0.00 -2.83 0.07 0.00 -0.44 0.00 0.00 34.13 30.93 2kvr s GLU 119 CO 0.00 0.51 0.62 0.54 0.95 0.00 0.00 175.26 177.88 2kvr s ASN 120 N -3.16 -0.77 -0.09 0.83 4.22 -1.26 -4.21 114.94 110.50 2kvr s ASN 120 Ca 0.33 1.32 -0.27 0.00 -2.14 0.00 0.00 52.86 52.10 2kvr s ASN 120 Cb -0.11 1.24 -0.02 0.00 1.28 0.00 0.00 41.25 43.65 2kvr s ASN 120 CO 0.26 -0.22 0.90 -2.16 -2.04 0.00 0.00 177.10 173.83 2kvr s PRO 121 N 1.13 4.43 -0.31 3.55 0.04 -1.26 -4.94 135.00 137.63 2kvr s PRO 121 Ca -0.06 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 2kvr s PRO 121 Cb -0.05 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.99 2kvr s PRO 121 CO -0.11 -0.18 1.08 -0.46 0.04 0.00 0.00 177.00 177.36 2kvr s TRP 122 N 1.57 3.16 0.08 0.56 -0.00 -0.93 -4.55 118.94 118.83 2kvr s TRP 122 Ca 0.45 1.21 -0.30 0.00 -0.00 0.00 0.00 56.10 57.45 2kvr s TRP 122 Cb -0.18 -3.67 -0.05 0.00 -0.00 0.00 0.00 33.47 29.56 2kvr s TRP 122 CO 0.19 -0.76 1.00 0.99 -0.00 0.00 0.00 176.95 178.37 2kvr s THR 123 N 3.64 4.50 0.02 5.86 2.01 -1.26 -0.56 115.64 129.84 2kvr s THR 123 Ca 0.45 1.97 -0.18 0.00 0.31 0.00 0.00 61.69 64.25 2kvr s THR 123 Cb -0.12 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.16 2kvr s THR 123 CO 0.15 0.25 0.39 -0.63 -0.69 0.00 0.00 174.62 174.09 2kvr s ILE 124 N 0.33 0.06 -0.01 1.82 1.01 0.37 -2.33 121.20 122.44 2kvr s ILE 124 Ca 0.49 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2kvr s ILE 124 Cb -0.24 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2kvr s ILE 124 CO 0.30 -0.25 -0.10 -0.36 0.00 0.00 0.00 174.94 174.52 2kvr s PHE 125 N -2.04 2.80 -0.10 3.97 0.08 -0.34 -2.63 117.98 119.72 2kvr s PHE 125 Ca -0.08 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.77 2kvr s PHE 125 Cb -0.02 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 40.79 2kvr s PHE 125 CO 0.01 0.31 0.23 -1.17 -0.10 0.00 0.00 175.22 174.50 2kvr s LEU 126 N -1.22 4.38 0.07 -0.37 0.20 -0.97 -1.61 118.68 119.17 2kvr s LEU 126 Ca 0.15 0.59 0.07 0.00 0.69 0.00 0.00 54.13 55.63 2kvr s LEU 126 Cb -0.11 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 2kvr s LEU 126 CO 0.05 0.33 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.55 2kvr s GLU 127 N -0.74 1.10 0.00 1.98 2.56 -0.61 -4.68 118.70 118.31 2kvr s GLU 127 Ca 0.17 -1.01 0.22 0.00 0.00 0.00 0.00 54.97 54.35 2kvr s GLU 127 Cb -0.13 -1.24 0.17 0.00 2.00 0.00 0.00 34.13 34.93 2kvr s GLU 127 CO 0.06 0.30 1.19 2.41 -0.56 0.00 0.00 175.26 178.66