#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 1.03 -0.99 0.54 7.50 -2.05 -3.26 115.11 117.89 2kvr h GLN 2 Ca 0.00 -0.35 0.16 0.00 0.50 0.00 0.00 58.65 58.96 2kvr h GLN 2 Cb 0.00 -0.08 -0.09 0.00 0.05 0.00 0.00 27.48 27.36 2kvr h GLN 2 CO 0.00 1.04 0.62 -0.56 -1.50 0.00 0.00 178.83 178.43 2kvr h GLN 3 N 0.91 0.80 -0.01 1.46 3.07 -2.05 -0.29 115.11 119.01 2kvr h GLN 3 Ca 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.84 2kvr h GLN 3 Cb 0.61 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 27.99 2kvr h GLN 3 CO 0.04 0.53 -0.00 -0.07 0.09 0.00 0.00 178.83 179.42 2kvr h LEU 4 N 0.83 0.02 -0.17 0.06 -0.00 -2.00 -2.94 115.31 111.10 2kvr h LEU 4 Ca 0.53 -0.42 -0.21 0.00 -0.00 0.00 0.00 57.88 57.78 2kvr h LEU 4 Cb 0.73 -0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2kvr h LEU 4 CO -0.30 0.43 -0.71 1.62 -0.00 0.00 0.00 178.44 179.48 2kvr h VAL 5 N -0.40 1.28 -0.26 1.22 3.04 -1.48 -2.26 116.25 117.38 2kvr h VAL 5 Ca 0.00 -1.91 -0.01 0.00 -1.01 0.00 0.00 66.70 63.77 2kvr h VAL 5 Cb 0.42 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 2kvr h VAL 5 CO 0.00 0.61 0.13 -0.33 -1.01 0.00 0.00 177.57 176.97 2kvr h GLU 6 N 0.52 0.38 -0.22 4.17 4.39 -1.18 -1.09 114.58 121.55 2kvr h GLU 6 Ca -0.04 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2kvr h GLU 6 Cb 1.34 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2kvr h GLU 6 CO 0.15 0.37 -0.30 0.07 -1.16 0.00 0.00 179.01 178.14 2kvr h ARG 7 N 0.29 0.43 -0.32 2.33 -0.00 -1.59 -3.07 114.38 112.46 2kvr h ARG 7 Ca 0.09 -0.18 -0.11 0.00 -0.00 0.00 0.00 59.98 59.79 2kvr h ARG 7 Cb 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.05 2kvr h ARG 7 CO -0.01 0.69 -0.24 1.25 -0.00 0.00 0.00 179.97 181.66 2kvr h LEU 8 N 0.38 0.63 -0.35 0.08 6.46 -0.76 -0.09 115.31 121.66 2kvr h LEU 8 Ca 0.05 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2kvr h LEU 8 Cb 0.72 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 2kvr h LEU 8 CO 0.06 0.86 0.11 1.56 -0.62 0.00 0.00 178.44 180.40 2kvr h GLN 9 N 0.55 0.54 0.00 1.25 4.20 -1.19 0.13 115.11 120.58 2kvr h GLN 9 Ca 0.08 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2kvr h GLN 9 Cb 0.70 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2kvr h GLN 9 CO 0.05 0.57 -0.28 0.93 -0.67 0.00 0.00 178.83 179.43 2kvr h GLU 10 N 0.41 0.00 0.04 1.46 4.39 -1.37 -2.49 114.58 117.02 2kvr h GLU 10 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kvr h GLU 10 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2kvr h GLU 10 CO -0.00 0.28 -0.02 0.93 -1.16 0.00 0.00 179.01 179.03 2kvr h GLU 11 N 0.00 -0.05 0.00 2.33 4.39 -0.80 -3.39 114.58 117.05 2kvr h GLU 11 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kvr h GLU 11 Cb 0.61 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2kvr h GLU 11 CO 0.04 0.32 0.00 1.57 -1.16 0.00 0.00 179.01 179.78 2kvr h LYS 12 N -0.99 0.00 -0.49 2.33 2.10 -0.97 -3.29 116.57 115.25 2kvr h LYS 12 Ca -0.01 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.79 2kvr h LYS 12 Cb 0.40 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.71 2kvr h LYS 12 CO 0.01 0.00 0.65 0.07 -2.00 0.00 0.00 179.45 178.18 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 0.11 -1.65 -1.47 114.38 111.45 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 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2kvr h ARG 13 CO 0.00 0.00 0.00 -0.84 0.10 0.00 0.00 179.97 179.23 2kvr h ILE 14 N 0.00 0.00 -0.11 0.08 -2.65 -1.87 -3.02 117.51 109.94 2kvr h ILE 14 Ca 0.23 -0.23 0.03 0.00 1.03 0.00 0.00 64.86 65.92 2kvr h ILE 14 Cb 1.53 1.01 -0.00 0.00 -2.05 0.00 0.00 36.82 37.30 2kvr h ILE 14 CO -0.00 0.00 0.15 1.05 0.03 0.00 0.00 178.15 179.38 2kvr h GLU 15 N 0.00 0.00 -0.62 0.16 4.11 -1.58 -2.02 114.58 114.64 2kvr h GLU 15 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.61 2kvr h GLU 15 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kvr h GLU 15 CO 0.00 0.00 0.52 0.00 0.07 0.00 0.00 179.01 179.60 2kvr h ALA 16 N 1.81 2.46 0.00 1.06 0.00 -1.78 -0.21 119.26 122.60 2kvr h ALA 16 Ca 0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 2kvr h ALA 16 Cb 0.35 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2kvr h ALA 16 CO -0.00 -0.84 -2.17 0.94 0.00 0.00 0.00 179.25 177.18 2kvr n GLN 17 N -4.02 0.44 0.00 0.00 0.00 -0.79 -4.73 117.38 108.28 2kvr n GLN 17 Ca 0.12 0.19 0.11 0.00 -0.00 0.00 0.00 57.00 57.42 2kvr n GLN 17 Cb 0.76 -1.25 0.63 0.00 0.00 0.00 0.00 30.24 30.38 2kvr n GLN 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2kvr n LYS 18 N -3.91 0.97 0.27 3.69 3.00 -1.00 -3.34 118.16 117.85 2kvr n LYS 18 Ca -0.41 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.05 2kvr n LYS 18 Cb 0.80 -1.34 0.75 0.00 0.00 0.00 0.00 35.03 35.24 2kvr n LYS 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 2kvr h ARG 19 N 0.00 0.00 -5.64 1.64 0.11 -1.31 -3.44 114.38 105.74 2kvr h ARG 19 Ca 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 2kvr h ARG 19 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2kvr h ARG 19 CO 0.00 0.09 0.65 0.21 0.10 0.00 0.00 179.97 181.02 2kvr s LYS 20 N -3.99 2.28 -0.30 0.08 2.20 -1.21 -4.18 119.74 114.62 2kvr s LYS 20 Ca -0.02 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2kvr s LYS 20 Cb 0.12 -4.89 0.00 0.00 -1.51 0.00 0.00 37.83 31.55 2kvr s LYS 20 CO 0.56 -3.60 0.10 0.39 -0.36 0.00 0.00 175.35 172.44 2kvr n GLU 21 N 8.89 -2.98 -2.66 4.03 4.71 -1.26 -4.90 120.64 126.46 2kvr n GLU 21 Ca 0.40 2.47 -0.42 0.00 -0.01 0.00 0.00 57.16 59.59 2kvr n GLU 21 Cb 0.47 -4.89 -0.02 0.00 -1.01 0.00 0.00 31.44 25.99 2kvr n GLU 21 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2kvr s ARG 22 N -1.72 3.78 0.23 3.49 1.04 -1.26 -4.93 118.95 119.58 2kvr s ARG 22 Ca 0.04 -1.67 0.04 0.00 -1.04 0.00 0.00 55.73 53.10 2kvr s ARG 22 Cb -0.01 -5.33 -0.02 0.00 -2.04 0.00 0.00 34.95 27.56 2kvr s ARG 22 CO 0.70 -2.12 0.15 1.04 -0.04 0.00 0.00 175.30 175.03 2kvr n GLN 23 N 8.04 0.42 -1.93 3.89 6.02 -1.26 -5.00 117.38 127.56 2kvr n GLN 23 Ca 0.38 -2.15 -0.43 0.00 -0.01 0.00 0.00 57.00 54.79 2kvr n GLN 23 Cb 0.48 1.55 -0.03 0.00 1.02 0.00 0.00 30.24 33.27 2kvr n GLN 23 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2kvr s GLU 24 N -2.91 3.25 0.00 -1.09 2.12 -1.26 -4.90 118.70 113.92 2kvr s GLU 24 Ca 0.21 1.49 0.00 0.00 0.36 0.00 0.00 54.97 57.03 2kvr s GLU 24 Cb 0.01 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.16 2kvr s GLU 24 CO 0.15 -1.95 0.00 0.00 -0.54 0.00 0.00 175.26 172.91 2kvr n ALA 25 N 10.70 0.00 0.50 6.30 0.00 -1.26 -5.02 120.51 131.72 2kvr n ALA 25 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.72 2kvr n ALA 25 Cb 0.47 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.16 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 1.13 0.00 1.44 -1.26 -3.57 115.22 112.96 2kvr n HIS 26 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kvr n HIS 26 Cb 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.00 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 -1.11 0.67 -0.86 2.39 7.99 -1.26 -4.53 117.00 120.30 2kvr n LEU 27 Ca 0.06 -0.34 0.00 0.00 -0.01 0.00 0.00 56.01 55.72 2kvr n LEU 27 Cb 0.04 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.02 2kvr n LEU 27 CO 0.06 0.17 0.05 -1.22 -1.51 0.00 0.00 177.39 174.93 2kvr n TYR 28 N -0.09 0.00 -0.83 -1.77 4.01 -1.23 -1.19 117.16 116.06 2kvr n TYR 28 Ca 0.00 -0.04 -0.32 0.00 -0.16 0.00 0.00 57.90 57.37 2kvr n TYR 28 Cb 0.17 -0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 2kvr n TYR 28 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2kvr n MET 29 N 0.80 0.00 -3.13 -0.72 0.00 0.23 -2.23 117.12 112.07 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 0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 33.22 32.48 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 1.24 4.38 -0.08 2.12 1.11 -1.26 -1.40 119.66 125.77 2kvr s GLN 30 Ca 0.50 0.94 -0.00 0.00 0.01 0.00 0.00 55.36 56.80 2kvr s GLN 30 Cb -0.71 -3.25 0.03 0.00 -1.01 0.00 0.00 33.01 28.06 2kvr s GLN 30 CO 0.38 0.60 -0.04 0.54 0.01 0.00 0.00 175.29 176.78 2kvr s VAL 31 N -1.10 0.66 -0.54 1.09 0.11 -0.28 -1.92 120.40 118.42 2kvr s VAL 31 Ca 0.32 -0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 2kvr s VAL 31 Cb -0.21 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2kvr s VAL 31 CO 0.22 0.30 1.04 -1.10 -3.33 0.00 0.00 175.10 172.23 2kvr s GLN 32 N 1.65 3.46 -0.08 1.54 -0.21 -0.19 -1.68 119.66 124.14 2kvr s GLN 32 Ca 0.01 0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.41 2kvr s GLN 32 Cb -0.13 -4.01 -0.04 0.00 1.00 0.00 0.00 33.01 29.84 2kvr s GLN 32 CO -0.05 -1.51 0.04 0.42 -2.12 0.00 0.00 175.29 172.08 2kvr s ILE 33 N 4.31 4.63 -0.05 1.08 -1.09 -0.52 -0.70 121.20 128.87 2kvr s ILE 33 Ca 0.37 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2kvr s ILE 33 Cb -0.10 -2.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 2kvr s ILE 33 CO 0.23 0.57 -0.02 0.68 -1.23 0.00 0.00 174.94 175.17 2kvr s VAL 34 N -0.96 0.40 0.57 2.92 -7.23 -1.12 -1.57 120.40 113.41 2kvr s VAL 34 Ca 0.15 0.01 0.09 0.00 -1.81 0.00 0.00 61.98 60.42 2kvr s VAL 34 Cb -0.12 -0.49 0.08 0.00 0.56 0.00 0.00 36.38 36.42 2kvr s VAL 34 CO 0.04 0.22 0.78 0.00 -0.31 0.00 0.00 175.10 175.84 2kvr s ALA 35 N 1.29 4.68 -0.06 1.32 0.00 -1.26 -2.00 121.76 125.73 2kvr s ALA 35 Ca -0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 51.96 49.77 2kvr s ALA 35 Cb -0.13 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.54 2kvr s ALA 35 CO -0.02 -0.84 0.14 -2.00 0.00 0.00 0.00 175.76 173.04 2kvr s GLU 36 N -4.66 0.08 0.43 0.00 2.12 -1.03 -4.62 118.70 111.02 2kvr s GLU 36 Ca 0.62 0.38 0.20 0.00 0.36 0.00 0.00 54.97 56.53 2kvr s GLU 36 Cb -0.06 -0.20 1.15 0.00 0.26 0.00 0.00 34.13 35.28 2kvr s GLU 36 CO 0.39 -0.18 1.83 0.22 -0.54 0.00 0.00 175.26 176.97 2kvr h ASP 37 N 7.37 0.36 -0.50 -1.70 3.58 -1.86 -2.07 116.42 121.60 2kvr h ASP 37 Ca -0.40 0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.20 2kvr h ASP 37 Cb 1.14 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 42.07 2kvr h ASP 37 CO 0.40 0.12 -0.18 -0.61 -2.88 0.00 0.00 179.24 176.08 2kvr h GLN 38 N 0.35 -0.06 0.00 0.28 5.75 -1.95 0.43 115.11 119.90 2kvr h GLN 38 Ca 0.51 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.88 2kvr h GLN 38 Cb 1.39 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 2kvr h GLN 38 CO -0.19 -0.04 -1.61 1.97 -2.65 0.00 0.00 178.83 176.30 2kvr n PHE 39 N -5.39 0.64 -0.05 3.99 -1.74 -1.08 -4.34 117.46 109.48 2kvr n PHE 39 Ca 0.04 0.20 -0.16 0.00 -0.56 0.00 0.00 57.45 56.98 2kvr n PHE 39 Cb 0.30 -0.94 -0.06 0.00 1.52 0.00 0.00 39.48 40.31 2kvr n PHE 39 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2kvr n GLY 41 N 0.53 0.18 2.01 0.00 0.00 -0.49 -5.05 105.19 102.36 2kvr n GLY 41 Ca -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2kvr n GLY 41 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kvr n HIS 42 N -1.01 -0.59 -0.01 1.61 -0.00 0.14 -4.99 115.22 110.35 2kvr n HIS 42 Ca 0.00 0.19 -0.01 0.00 0.46 0.00 0.00 57.72 58.36 2kvr n HIS 42 Cb 0.00 -1.90 -0.01 0.00 -0.12 0.00 0.00 29.99 27.96 2kvr n HIS 42 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2kvr h GLN 43 N -0.51 -0.08 -6.18 1.57 7.50 -1.96 -3.49 115.11 111.96 2kvr h GLN 43 Ca -0.13 0.01 -0.43 0.00 0.50 0.00 0.00 58.65 58.59 2kvr h GLN 43 Cb 1.09 0.02 0.05 0.00 0.05 0.00 0.00 27.48 28.68 2kvr h GLN 43 CO 0.13 -0.05 -0.88 0.41 -1.50 0.00 0.00 178.83 176.95 2kvr n GLY 44 N 1.57 -0.53 0.26 3.46 0.00 -1.26 -4.90 105.19 103.79 2kvr n GLY 44 Ca -0.01 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.41 2kvr n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kvr n ASN 45 N -2.94 0.87 -0.12 1.61 5.03 -1.26 -4.91 115.26 113.54 2kvr n ASN 45 Ca -0.23 -1.08 -0.02 0.00 0.87 0.00 0.00 54.58 54.13 2kvr n ASN 45 Cb 0.65 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.41 2kvr n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kvr n ASP 46 N -0.46 -4.84 -3.43 6.41 8.00 -1.26 -4.92 116.55 116.05 2kvr n ASP 46 Ca 0.18 0.04 -0.34 0.00 0.71 0.00 0.00 54.79 55.38 2kvr n ASP 46 Cb 0.29 -2.48 -0.02 0.00 -0.02 0.00 0.00 41.12 38.88 2kvr n ASP 46 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2kvr n MET 47 N -0.76 4.00 -3.25 -1.24 2.81 -1.26 -4.81 117.12 112.61 2kvr n MET 47 Ca -0.02 -4.72 -0.07 0.00 -1.81 0.00 0.00 57.70 51.08 2kvr n MET 47 Cb 0.33 -2.36 0.01 0.00 -0.71 0.00 0.00 33.22 30.48 2kvr n MET 47 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2kvr n TYR 48 N 0.28 -2.71 -2.32 2.03 9.36 -1.26 -4.87 117.16 117.67 2kvr n TYR 48 Ca 0.35 1.03 -0.35 0.00 3.32 0.00 0.00 57.90 62.25 2kvr n TYR 48 Cb 0.34 -3.80 -0.04 0.00 -0.63 0.00 0.00 39.34 35.22 2kvr n TYR 48 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kvr s ASP 49 N -3.04 5.84 0.05 2.98 1.01 -1.26 -4.81 116.67 117.44 2kvr s ASP 49 Ca 0.04 -0.92 0.12 0.00 0.71 0.00 0.00 52.55 52.51 2kvr s ASP 49 Cb -0.01 -2.56 0.54 0.00 1.01 0.00 0.00 42.92 41.90 2kvr s ASP 49 CO 0.79 -2.09 1.39 -0.62 0.21 0.00 0.00 175.17 174.84 2kvr n GLU 50 N 8.94 0.03 0.08 8.23 1.02 -1.26 -1.13 120.64 136.55 2kvr n GLU 50 Ca 0.32 0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 57.73 2kvr n GLU 50 Cb 0.49 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 2kvr n GLU 50 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kvr h GLU 51 N 0.00 0.08 -0.03 3.49 4.39 -1.94 -3.36 114.58 117.21 2kvr h GLU 51 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2kvr h GLU 51 Cb 0.19 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2kvr h GLU 51 CO 0.00 1.01 0.00 1.17 -1.16 0.00 0.00 179.01 180.03 2kvr n LYS 52 N -3.46 2.28 -1.22 2.33 3.00 -0.35 -2.46 118.16 118.28 2kvr n LYS 52 Ca -0.02 -2.05 -0.30 0.00 -0.00 0.00 0.00 58.31 55.94 2kvr n LYS 52 Cb 0.92 -1.27 0.14 0.00 0.00 0.00 0.00 35.03 34.81 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 -1.87 2.68 0.87 3.15 -7.23 -0.29 -4.95 120.40 112.77 2kvr s VAL 53 Ca 0.17 0.22 -0.15 0.00 -1.81 0.00 0.00 61.98 60.41 2kvr s VAL 53 Cb 0.14 -2.71 0.21 0.00 0.56 0.00 0.00 36.38 34.58 2kvr s VAL 53 CO 0.03 -0.29 0.84 0.29 -0.31 0.00 0.00 175.10 175.66 2kvr n LYS 54 N -3.86 -2.28 -1.43 4.82 4.01 -1.26 -4.83 118.16 113.33 2kvr n LYS 54 Ca 0.07 -1.33 -0.50 0.00 -0.51 0.00 0.00 58.31 56.04 2kvr n LYS 54 Cb 0.55 -1.17 -0.08 0.00 -0.51 0.00 0.00 35.03 33.82 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2kvr n TYR 55 N -4.08 1.44 -3.03 2.13 4.01 -1.26 -4.91 117.16 111.46 2kvr n TYR 55 Ca 0.11 0.33 -0.42 0.00 -0.16 0.00 0.00 57.90 57.77 2kvr n TYR 55 Cb 0.43 -2.50 -0.06 0.00 -0.31 0.00 0.00 39.34 36.91 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 7.69 4.80 -0.48 -0.72 -1.32 -0.61 -4.87 115.64 120.13 2kvr s THR 56 Ca 1.12 0.69 -0.21 0.00 -1.21 0.00 0.00 61.69 62.08 2kvr s THR 56 Cb -0.92 -4.15 0.04 0.00 -1.51 0.00 0.00 72.50 65.96 2kvr s THR 56 CO 0.49 -0.40 0.73 0.54 -2.21 0.00 0.00 174.62 173.77 2kvr s VAL 57 N 2.92 4.72 -0.27 5.08 0.11 -1.26 -1.44 120.40 130.26 2kvr s VAL 57 Ca 0.28 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.28 2kvr s VAL 57 Cb -0.14 -4.32 -0.05 0.00 -1.53 0.00 0.00 36.38 30.35 2kvr s VAL 57 CO 0.16 -0.77 0.23 -0.36 -3.33 0.00 0.00 175.10 171.03 2kvr s PHE 58 N 3.09 3.25 -0.45 1.54 0.08 -0.68 -4.90 117.98 119.92 2kvr s PHE 58 Ca 0.24 0.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.33 2kvr s PHE 58 Cb -0.15 -2.40 0.04 0.00 -0.57 0.00 0.00 43.02 39.94 2kvr s PHE 58 CO 0.18 -0.12 0.49 -1.59 -0.10 0.00 0.00 175.22 174.09 2kvr s LYS 59 N 1.65 3.10 0.03 0.44 0.00 -1.26 -1.12 119.74 122.58 2kvr s LYS 59 Ca 0.09 -0.83 0.01 0.00 0.00 0.00 0.00 55.97 55.25 2kvr s LYS 59 Cb -0.15 -4.02 -0.02 0.00 0.00 0.00 0.00 37.83 33.64 2kvr s LYS 59 CO 0.09 -0.98 -0.06 0.14 0.00 0.00 0.00 175.35 174.55 2kvr s VAL 60 N 2.26 0.39 -0.42 1.79 -7.23 -0.49 -4.87 120.40 111.83 2kvr s VAL 60 Ca 0.13 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 2kvr s VAL 60 Cb -0.18 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.28 2kvr s VAL 60 CO 0.13 -0.42 1.40 -0.76 -0.31 0.00 0.00 175.10 175.14 2kvr s LEU 61 N -1.54 3.58 0.53 1.32 2.01 -1.24 -0.60 118.68 122.74 2kvr s LEU 61 Ca -0.12 0.79 0.19 0.00 0.01 0.00 0.00 54.13 55.00 2kvr s LEU 61 Cb -0.10 -3.53 1.38 0.00 0.01 0.00 0.00 46.19 43.95 2kvr s LEU 61 CO -0.00 -1.44 2.15 0.07 1.01 0.00 0.00 176.35 178.14 2kvr h LYS 62 N 10.68 0.00 -0.00 1.70 2.10 -1.47 -1.53 116.57 128.04 2kvr h LYS 62 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2kvr h LYS 62 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2kvr h LYS 62 CO 1.09 0.00 -0.06 0.27 -2.00 0.00 0.00 179.45 178.76 2kvr n ASN 63 N -4.39 0.35 -4.98 7.07 6.94 -1.26 -2.37 115.26 116.62 2kvr n ASN 63 Ca -0.02 -0.64 -0.20 0.00 -0.02 0.00 0.00 54.58 53.71 2kvr n ASN 63 Cb 0.15 -0.10 -0.01 0.00 -2.36 0.00 0.00 39.78 37.47 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 -2.36 6.04 0.76 0.53 0.15 -0.58 -4.83 113.70 113.41 2kvr s SER 64 Ca 0.33 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 2kvr s SER 64 Cb 0.21 -1.43 0.05 0.00 -1.71 0.00 0.00 66.02 63.13 2kvr s SER 64 CO 0.44 -0.38 1.08 -0.94 1.20 0.00 0.00 173.24 174.64 2kvr s SER 65 N -4.13 4.70 0.28 5.45 1.04 -1.26 -2.57 113.70 117.21 2kvr s SER 65 Ca 0.43 1.75 0.13 0.00 0.48 0.00 0.00 55.95 58.74 2kvr s SER 65 Cb -0.09 -2.50 0.34 0.00 0.10 0.00 0.00 66.02 63.87 2kvr s SER 65 CO 0.32 -1.90 1.59 0.25 0.98 0.00 0.00 173.24 174.47 2kvr h LEU 66 N -1.03 0.00 -1.46 2.42 7.12 -0.80 -2.71 115.31 118.84 2kvr h LEU 66 Ca -0.44 0.00 0.21 0.00 0.13 0.00 0.00 57.88 57.78 2kvr h LEU 66 Cb 1.23 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.29 2kvr h LEU 66 CO 0.53 0.60 0.61 0.00 -0.13 0.00 0.00 178.44 180.04 2kvr h ALA 67 N 1.40 2.17 -0.15 1.25 0.00 -1.75 0.35 119.26 122.54 2kvr h ALA 67 Ca -0.01 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2kvr h ALA 67 Cb 1.16 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kvr h ALA 67 CO 0.08 -0.48 -0.65 0.93 0.00 0.00 0.00 179.25 179.13 2kvr h GLU 68 N 0.43 0.70 -0.85 0.00 4.39 -1.81 -1.21 114.58 116.24 2kvr h GLU 68 Ca 0.49 -0.56 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kvr h GLU 68 Cb 1.19 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 2kvr h GLU 68 CO -0.20 1.17 0.55 0.35 -1.16 0.00 0.00 179.01 179.72 2kvr h PHE 69 N 0.40 1.07 0.04 4.33 3.57 -1.41 -2.78 116.94 122.16 2kvr h PHE 69 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2kvr h PHE 69 Cb 1.28 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2kvr h PHE 69 CO 0.10 0.68 -0.02 0.28 -2.23 0.00 0.00 178.31 177.12 2kvr h VAL 70 N 1.15 1.23 -0.47 1.41 2.07 -0.86 -1.78 116.25 119.00 2kvr h VAL 70 Ca 0.31 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2kvr h VAL 70 Cb -0.12 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2kvr h VAL 70 CO -0.07 0.23 0.13 0.06 0.02 0.00 0.00 177.57 177.94 2kvr h GLN 71 N -0.45 0.70 -0.33 1.57 3.07 -1.26 0.29 115.11 118.71 2kvr h GLN 71 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 58.65 58.56 2kvr h GLN 71 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 2kvr h GLN 71 CO 0.01 0.63 0.02 0.77 0.09 0.00 0.00 178.83 180.35 2kvr h SER 72 N 0.68 0.55 0.49 0.06 0.02 -1.50 -2.63 113.55 111.23 2kvr h SER 72 Ca 0.16 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 2kvr h SER 72 Cb 0.23 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2kvr h SER 72 CO -0.01 0.70 -0.43 0.25 -1.14 0.00 0.00 176.83 176.21 2kvr h LEU 73 N 0.37 0.00 -0.35 5.07 6.46 -0.56 -2.48 115.31 123.83 2kvr h LEU 73 Ca 0.09 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 2kvr h LEU 73 Cb 0.41 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2kvr h LEU 73 CO 0.01 0.43 -0.15 -1.28 -0.62 0.00 0.00 178.44 176.83 2kvr h SER 74 N 0.00 0.73 0.89 1.25 0.87 -0.32 -2.55 113.55 114.42 2kvr h SER 74 Ca -0.00 -0.40 -0.23 0.00 -1.23 0.00 0.00 61.79 59.93 2kvr h SER 74 Cb 0.79 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 2kvr h SER 74 CO 0.06 0.97 -1.09 1.56 -0.53 0.00 0.00 176.83 177.79 2kvr h GLN 75 N 0.49 0.06 0.00 2.24 1.08 -1.40 -0.82 115.11 116.76 2kvr h GLN 75 Ca 0.08 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 2kvr h GLN 75 Cb 0.68 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 2kvr h GLN 75 CO 0.05 1.02 -0.63 0.00 -0.95 0.00 0.00 178.83 178.32 2kvr h THR 76 N 0.02 0.76 0.00 -0.54 1.03 -1.44 -3.35 112.91 109.39 2kvr h THR 76 Ca -0.05 -2.12 0.00 0.00 -0.01 0.00 0.00 66.41 64.23 2kvr h THR 76 Cb 1.83 2.33 0.00 0.00 -1.07 0.00 0.00 68.15 71.24 2kvr h THR 76 CO 0.14 0.43 -0.18 0.23 -0.01 0.00 0.00 175.52 176.14 2kvr n MET 77 N -3.16 5.83 -1.01 0.00 2.81 -0.96 -5.03 117.12 115.60 2kvr n MET 77 Ca 0.00 -0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kvr n MET 77 Cb 0.74 -0.63 -0.00 0.00 -0.71 0.00 0.00 33.22 32.62 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 1.16 0.46 3.76 3.03 0.00 -0.33 -5.04 105.19 108.22 2kvr n GLY 78 Ca 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.99 3.62 0.10 1.61 0.40 -1.09 -5.00 117.98 115.62 2kvr s PHE 79 Ca 0.00 1.74 -0.31 0.00 -0.60 0.00 0.00 56.93 57.76 2kvr s PHE 79 Cb 0.00 -3.20 -0.09 0.00 0.51 0.00 0.00 43.02 40.24 2kvr s PHE 79 CO 0.00 -0.35 1.75 -1.25 0.70 0.00 0.00 175.22 176.08 2kvr s PRO 80 N -1.53 4.16 0.54 0.24 0.04 -1.26 -4.45 135.00 132.73 2kvr s PRO 80 Ca 0.45 2.48 0.20 0.00 0.04 0.00 0.00 61.00 64.17 2kvr s PRO 80 Cb -0.29 -3.61 1.41 0.00 0.04 0.00 0.00 34.50 32.05 2kvr s PRO 80 CO 0.37 -0.80 2.17 -0.56 0.04 0.00 0.00 177.00 178.23 2kvr h GLN 81 N 8.52 0.00 0.00 4.56 3.07 -1.91 -1.25 115.11 128.10 2kvr h GLN 81 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.22 2kvr h GLN 81 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 2kvr h GLN 81 CO 0.94 0.00 -0.37 -0.44 0.09 0.00 0.00 178.83 179.05 2kvr h ASP 82 N 0.00 0.00 -0.25 0.06 5.19 -1.97 -3.18 116.42 116.27 2kvr h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kvr h ASP 82 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2kvr h ASP 82 CO -0.00 0.37 0.00 0.00 -3.12 0.00 0.00 179.24 176.49 2kvr n GLN 83 N -4.08 2.82 -2.03 3.56 6.02 -0.54 -4.92 117.38 118.21 2kvr n GLN 83 Ca -0.02 -2.17 -0.30 0.00 -0.01 0.00 0.00 57.00 54.50 2kvr n GLN 83 Cb 0.41 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.51 3.40 -0.24 5.09 1.01 -0.82 -3.99 121.20 124.15 2kvr s ILE 84 Ca 0.24 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 2kvr s ILE 84 Cb 0.16 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2kvr s ILE 84 CO 0.11 -0.90 0.39 -0.13 0.00 0.00 0.00 174.94 174.41 2kvr s ARG 85 N 7.08 4.09 0.01 2.79 0.52 -0.50 -4.98 118.95 127.96 2kvr s ARG 85 Ca 0.70 0.13 -0.19 0.00 -0.52 0.00 0.00 55.73 55.85 2kvr s ARG 85 Cb -0.09 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.73 2kvr s ARG 85 CO 0.07 -0.17 0.53 -0.51 0.02 0.00 0.00 175.30 175.24 2kvr s LEU 86 N 1.72 4.45 -0.22 2.53 1.02 -1.26 -1.42 118.68 125.49 2kvr s LEU 86 Ca 0.17 1.11 -0.01 0.00 0.02 0.00 0.00 54.13 55.42 2kvr s LEU 86 Cb -0.15 -2.81 0.06 0.00 0.02 0.00 0.00 46.19 43.31 2kvr s LEU 86 CO 0.09 0.19 0.00 0.26 0.02 0.00 0.00 176.35 176.91 2kvr s TRP 87 N -0.56 1.63 0.65 0.29 0.52 -0.69 -1.46 118.94 119.31 2kvr s TRP 87 Ca 0.28 -1.27 -0.14 0.00 0.02 0.00 0.00 56.10 54.99 2kvr s TRP 87 Cb -0.18 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.85 2kvr s TRP 87 CO 0.16 -0.69 1.09 -1.25 0.02 0.00 0.00 176.95 176.28 2kvr s PRO 88 N 1.65 2.93 -0.87 4.98 0.04 -1.26 -0.91 135.00 141.57 2kvr s PRO 88 Ca -0.02 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 2kvr s PRO 88 Cb -0.18 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2kvr s PRO 88 CO -0.08 -1.13 2.12 0.00 0.04 0.00 0.00 177.00 177.94 2kvr s MET 89 N -4.25 2.19 -0.29 4.56 0.23 -1.06 -4.85 119.30 115.83 2kvr s MET 89 Ca 0.64 -0.02 -0.19 0.00 -1.03 0.00 0.00 55.69 55.10 2kvr s MET 89 Cb -0.18 -4.96 -0.02 0.00 -1.53 0.00 0.00 34.83 28.14 2kvr s MET 89 CO 0.43 -3.80 0.56 -1.14 -2.03 0.00 0.00 175.02 169.04 2kvr s GLN 90 N 7.70 3.93 -1.04 3.16 0.74 -1.26 -4.99 119.66 127.91 2kvr s GLN 90 Ca 0.78 0.24 -0.24 0.00 0.05 0.00 0.00 55.36 56.19 2kvr s GLN 90 Cb -0.09 -3.71 -0.08 0.00 1.10 0.00 0.00 33.01 30.24 2kvr s GLN 90 CO 0.03 -0.48 1.96 0.00 -0.55 0.00 0.00 175.29 176.25 2kvr s ALA 91 N 2.43 1.65 -0.37 1.58 0.00 -1.26 -4.93 121.76 120.86 2kvr s ALA 91 Ca 0.22 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.22 2kvr s ALA 91 Cb -0.15 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.35 2kvr s ALA 91 CO 0.11 -5.13 0.52 1.03 0.00 0.00 0.00 175.76 172.29 2kvr s ARG 92 N 6.88 3.49 1.00 0.00 1.81 -1.26 -5.08 118.95 125.79 2kvr s ARG 92 Ca 0.71 -0.29 -0.16 0.00 -1.72 0.00 0.00 55.73 54.27 2kvr s ARG 92 Cb -0.04 -3.85 0.20 0.00 -0.45 0.00 0.00 34.95 30.80 2kvr s ARG 92 CO 0.07 -0.73 1.20 -1.12 -0.68 0.00 0.00 175.30 174.04 2kvr s SER 93 N 1.81 2.73 -0.12 0.23 0.01 -1.26 -4.98 113.70 112.11 2kvr s SER 93 Ca 0.18 0.60 -0.29 0.00 1.31 0.00 0.00 55.95 57.74 2kvr s SER 93 Cb -0.15 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 2kvr s SER 93 CO 0.14 -3.00 1.65 0.20 0.41 0.00 0.00 173.24 172.64 2kvr s ASN 94 N -4.36 6.53 0.00 2.44 0.01 -1.26 -4.78 114.94 113.52 2kvr s ASN 94 Ca 0.69 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.83 2kvr s ASN 94 Cb -0.09 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2kvr s ASN 94 CO 0.54 -1.08 0.00 0.61 -1.51 0.00 0.00 177.10 175.66 2kvr n GLY 95 N 4.36 0.64 3.68 0.66 0.00 -1.26 -5.10 105.19 108.17 2kvr n GLY 95 Ca 0.18 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.68 3.39 0.21 2.61 2.01 -1.26 -5.03 115.64 115.89 2kvr s THR 96 Ca 0.00 0.76 0.07 0.00 0.31 0.00 0.00 61.69 62.83 2kvr s THR 96 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2kvr s THR 96 CO 0.00 -0.01 0.07 -1.59 -0.69 0.00 0.00 174.62 172.40 2kvr s LYS 97 N 2.79 2.60 -0.42 4.92 -2.85 -1.26 -5.04 119.74 120.47 2kvr s LYS 97 Ca 0.70 -1.12 0.06 0.00 -1.00 0.00 0.00 55.97 54.60 2kvr s LYS 97 Cb -0.35 -2.42 0.20 0.00 -2.06 0.00 0.00 37.83 33.21 2kvr s LYS 97 CO 0.29 0.43 0.50 -2.13 0.10 0.00 0.00 175.35 174.54 2kvr n ARG 98 N -0.60 0.45 -2.33 1.78 0.63 -1.26 -5.15 116.66 110.18 2kvr n ARG 98 Ca -0.08 -2.92 -0.31 0.00 -0.92 0.00 0.00 57.85 53.62 2kvr n ARG 98 Cb 0.57 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.98 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 -0.18 3.77 0.04 -0.14 0.04 -1.26 -5.10 135.00 132.16 2kvr s PRO 99 Ca 0.33 0.73 0.01 0.00 0.04 0.00 0.00 61.00 62.11 2kvr s PRO 99 Cb 0.09 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2kvr s PRO 99 CO -0.16 -0.32 -0.05 0.00 0.04 0.00 0.00 177.00 176.52 2kvr s ALA 100 N -2.77 0.37 0.75 8.56 0.00 -1.26 -5.16 121.76 122.25 2kvr s ALA 100 Ca 0.55 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 2kvr s ALA 100 Cb -0.10 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2kvr s ALA 100 CO 0.40 -0.15 1.08 0.00 0.00 0.00 0.00 175.76 177.09 2kvr s MET 101 N -1.97 2.43 0.58 0.00 0.23 -1.26 -4.75 119.30 114.56 2kvr s MET 101 Ca -0.09 1.00 -0.18 0.00 -1.03 0.00 0.00 55.69 55.38 2kvr s MET 101 Cb -0.07 -1.93 -0.04 0.00 -1.53 0.00 0.00 34.83 31.26 2kvr s MET 101 CO -0.02 -1.47 1.11 -0.51 -2.03 0.00 0.00 175.02 172.10 2kvr s LEU 102 N -5.78 3.63 -0.56 0.18 2.01 -0.54 -4.93 118.68 112.69 2kvr s LEU 102 Ca 0.60 2.08 -0.26 0.00 0.01 0.00 0.00 54.13 56.56 2kvr s LEU 102 Cb -0.16 -4.57 -0.06 0.00 0.01 0.00 0.00 46.19 41.42 2kvr s LEU 102 CO 0.55 -1.31 2.23 -1.81 1.01 0.00 0.00 176.35 177.03 2kvr s ASP 103 N -2.10 4.66 0.57 2.29 1.01 -1.26 -4.73 116.67 117.10 2kvr s ASP 103 Ca 0.70 0.73 0.29 0.00 0.71 0.00 0.00 52.55 54.97 2kvr s ASP 103 Cb -0.22 -2.51 1.48 0.00 1.01 0.00 0.00 42.92 42.67 2kvr s ASP 103 CO 0.32 -2.81 1.93 -1.13 0.21 0.00 0.00 175.17 173.69 2kvr h ASN 104 N 17.50 0.00 0.62 0.27 -0.73 -1.92 0.26 115.58 131.58 2kvr h ASN 104 Ca -0.22 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 57.92 2kvr h ASN 104 Cb 1.21 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.81 2kvr h ASN 104 CO 1.17 0.00 -0.30 -0.08 -0.37 0.00 0.00 177.43 177.85 2kvr h GLU 105 N 0.00 -0.80 0.18 6.67 4.57 -1.98 -3.18 114.58 120.04 2kvr h GLU 105 Ca 0.25 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 2kvr h GLU 105 Cb 1.19 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 2kvr h GLU 105 CO -0.00 -0.53 -0.09 0.00 -1.18 0.00 0.00 179.01 177.21 2kvr h ALA 106 N -1.45 -0.24 -0.21 2.92 0.00 -1.72 -3.34 119.26 115.22 2kvr h ALA 106 Ca -0.08 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2kvr h ALA 106 Cb 0.64 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2kvr h ALA 106 CO 0.14 -0.34 0.18 -0.25 0.00 0.00 0.00 179.25 178.98 2kvr n ASP 107 N -4.95 5.49 0.00 0.00 8.00 0.84 -1.92 116.55 124.01 2kvr n ASP 107 Ca -0.08 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.76 2kvr n ASP 107 Cb 0.26 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 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 0.87 0.49 0.00 0.44 0.00 -1.20 -4.73 105.19 101.06 2kvr n GLY 108 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 4.27 -4.17 1.61 2.85 -0.81 -2.84 115.26 116.17 2kvr n ASN 109 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 2kvr n ASN 109 Cb 0.29 0.17 0.09 0.00 1.24 0.00 0.00 39.78 41.58 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 -2.30 0.11 -2.03 1.20 -0.00 -1.13 -4.55 118.16 109.46 2kvr n LYS 110 Ca 0.00 -2.32 -0.33 0.00 -0.00 0.00 0.00 58.31 55.66 2kvr n LYS 110 Cb 0.49 -0.50 0.02 0.00 -0.00 0.00 0.00 35.03 35.04 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 -2.45 3.47 -2.19 0.58 -4.23 -1.26 -0.18 115.64 109.38 2kvr s THR 111 Ca 0.55 0.75 0.30 0.00 -1.18 0.00 0.00 61.69 62.11 2kvr s THR 111 Cb -0.03 -3.27 0.73 0.00 1.34 0.00 0.00 72.50 71.27 2kvr s THR 111 CO 0.36 -0.35 2.00 1.15 -0.54 0.00 0.00 174.62 177.24 2kvr n MET 112 N -1.92 1.27 0.15 3.99 0.00 -1.06 -3.46 117.12 116.08 2kvr n MET 112 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 57.70 57.38 2kvr n MET 112 Cb 0.52 -1.49 0.22 0.00 0.00 0.00 0.00 33.22 32.47 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 1.03 1.34 0.00 3.17 6.09 -1.75 -2.20 117.51 125.19 2kvr h ILE 113 Ca 0.00 -1.91 -0.10 0.00 -1.37 0.00 0.00 64.86 61.48 2kvr h ILE 113 Cb 0.23 2.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 2kvr h ILE 113 CO 0.00 0.54 -0.46 -0.33 -3.07 0.00 0.00 178.15 174.83 2kvr h GLU 114 N 0.00 0.00 0.08 2.19 5.08 -1.86 -0.17 114.58 119.90 2kvr h GLU 114 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 2kvr h GLU 114 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2kvr h GLU 114 CO 0.07 0.46 -1.57 -0.07 -1.00 0.00 0.00 179.01 176.90 2kvr h LEU 115 N 0.00 0.27 -1.59 1.33 3.38 -1.75 -3.33 115.31 113.62 2kvr h LEU 115 Ca -0.00 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 2kvr h LEU 115 Cb 0.82 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kvr h LEU 115 CO 0.06 1.67 -0.14 0.77 0.09 0.00 0.00 178.44 180.88 2kvr h SER 116 N -0.39 0.00 -2.99 -0.43 4.64 -1.40 -3.47 113.55 109.51 2kvr h SER 116 Ca -0.36 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.57 2kvr h SER 116 Cb 1.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.80 2kvr h SER 116 CO -0.01 0.14 -0.51 -0.67 -0.87 0.00 0.00 176.83 174.91 2kvr n ASP 117 N -3.44 -5.66 -0.90 4.97 2.03 -0.08 -2.02 116.55 111.45 2kvr n ASP 117 Ca -0.01 -0.05 -0.07 0.00 0.52 0.00 0.00 54.79 55.18 2kvr n ASP 117 Cb 0.32 -4.67 0.00 0.00 -0.72 0.00 0.00 41.12 36.05 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 -1.82 -2.75 -4.49 1.67 3.02 -1.20 -5.07 115.26 104.62 2kvr n ASN 118 Ca -0.22 -0.03 -0.30 0.00 -0.03 0.00 0.00 54.58 54.00 2kvr n ASN 118 Cb 0.67 -1.97 -0.12 0.00 -0.61 0.00 0.00 39.78 37.75 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 -4.50 1.94 -0.26 3.52 -1.05 -0.85 -5.14 118.70 112.34 2kvr s GLU 119 Ca 0.03 -1.08 -0.25 0.00 -0.15 0.00 0.00 54.97 53.51 2kvr s GLU 119 Cb -0.01 -2.17 0.07 0.00 -0.44 0.00 0.00 34.13 31.58 2kvr s GLU 119 CO 0.03 0.51 0.73 0.54 0.95 0.00 0.00 175.26 178.02 2kvr s ASN 120 N -1.88 -0.73 -0.03 0.83 6.03 -1.26 -4.35 114.94 113.55 2kvr s ASN 120 Ca 0.17 1.40 -0.30 0.00 -1.03 0.00 0.00 52.86 53.10 2kvr s ASN 120 Cb -0.11 1.41 -0.03 0.00 -3.03 0.00 0.00 41.25 39.49 2kvr s ASN 120 CO 0.09 -0.26 1.08 -2.16 -2.03 0.00 0.00 177.10 173.81 2kvr s PRO 121 N 0.30 4.45 -0.31 3.55 0.04 -1.26 -4.97 135.00 136.80 2kvr s PRO 121 Ca -0.00 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 2kvr s PRO 121 Cb -0.05 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 2kvr s PRO 121 CO 0.01 -0.25 0.59 -0.46 0.04 0.00 0.00 177.00 176.93 2kvr s TRP 122 N 1.57 3.21 0.07 0.56 -0.00 -0.81 -4.80 118.94 118.74 2kvr s TRP 122 Ca 0.53 0.48 -0.26 0.00 -0.00 0.00 0.00 56.10 56.85 2kvr s TRP 122 Cb -0.23 -2.95 -0.06 0.00 -0.00 0.00 0.00 33.47 30.23 2kvr s TRP 122 CO 0.24 -0.48 0.80 0.99 -0.00 0.00 0.00 176.95 178.51 2kvr s THR 123 N 2.53 4.64 0.11 5.86 2.01 -1.26 -1.02 115.64 128.51 2kvr s THR 123 Ca 0.23 1.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.83 2kvr s THR 123 Cb -0.15 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.22 2kvr s THR 123 CO 0.12 0.38 0.28 -0.51 -0.69 0.00 0.00 174.62 174.20 2kvr s ILE 124 N -0.19 0.11 -0.02 1.82 2.07 0.12 -2.56 121.20 122.56 2kvr s ILE 124 Ca 0.40 -0.94 0.06 0.00 -1.41 0.00 0.00 60.65 58.75 2kvr s ILE 124 Cb -0.21 -1.29 -0.03 0.00 0.13 0.00 0.00 42.46 41.06 2kvr s ILE 124 CO 0.25 -0.50 -0.19 0.12 -1.91 0.00 0.00 174.94 172.71 2kvr s PHE 125 N -3.84 2.56 -0.09 3.50 5.36 -0.08 -2.78 117.98 122.61 2kvr s PHE 125 Ca 0.05 -0.26 -0.13 0.00 -0.96 0.00 0.00 56.93 55.62 2kvr s PHE 125 Cb 0.04 -1.55 -0.05 0.00 -0.34 0.00 0.00 43.02 41.12 2kvr s PHE 125 CO -0.11 0.14 0.32 -1.17 -1.46 0.00 0.00 175.22 172.94 2kvr s LEU 126 N -0.89 4.36 0.09 6.12 0.20 -0.85 -1.70 118.68 126.01 2kvr s LEU 126 Ca 0.12 0.70 0.04 0.00 0.69 0.00 0.00 54.13 55.68 2kvr s LEU 126 Cb -0.10 -2.42 -0.03 0.00 -0.43 0.00 0.00 46.19 43.20 2kvr s LEU 126 CO 0.01 0.24 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.50 2kvr s GLU 127 N -0.40 0.82 0.00 1.98 2.56 -0.51 -4.80 118.70 118.35 2kvr s GLU 127 Ca 0.20 -1.07 0.25 0.00 0.00 0.00 0.00 54.97 54.35 2kvr s GLU 127 Cb -0.14 -0.61 0.37 0.00 2.00 0.00 0.00 34.13 35.74 2kvr s GLU 127 CO 0.08 0.11 1.36 2.41 -0.56 0.00 0.00 175.26 178.66