#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr h GLN 2 N 0.00 0.00 -0.28 0.54 -0.00 -2.05 -2.89 115.11 110.43 2kvr h GLN 2 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 2kvr h GLN 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 2kvr h GLN 2 CO 0.00 0.00 0.24 -0.56 0.00 0.00 0.00 178.83 178.51 2kvr h GLN 3 N 0.00 0.00 0.18 1.69 3.07 -2.05 0.47 115.11 118.48 2kvr h GLN 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2kvr h GLN 3 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2kvr h GLN 3 CO 0.00 0.00 -0.09 -0.07 0.09 0.00 0.00 178.83 178.76 2kvr h LEU 4 N 0.00 -0.21 -0.62 0.06 3.38 -1.95 -1.48 115.31 114.49 2kvr h LEU 4 Ca 0.13 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2kvr h LEU 4 Cb 0.60 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kvr h LEU 4 CO -0.00 0.05 -0.37 1.62 0.09 0.00 0.00 178.44 179.83 2kvr h VAL 5 N -0.48 0.76 0.10 1.22 3.04 -1.60 -2.34 116.25 116.96 2kvr h VAL 5 Ca -0.03 -1.65 -0.01 0.00 -1.01 0.00 0.00 66.70 64.01 2kvr h VAL 5 Cb 0.36 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2kvr h VAL 5 CO 0.04 0.36 -0.05 -0.08 -1.01 0.00 0.00 177.57 176.83 2kvr h GLU 6 N 0.00 -0.13 0.00 4.17 4.81 -0.88 -1.14 114.58 121.41 2kvr h GLU 6 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2kvr h GLU 6 Cb 1.04 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2kvr h GLU 6 CO 0.05 0.32 -0.39 0.07 -0.73 0.00 0.00 179.01 178.33 2kvr h ARG 7 N -0.66 0.00 0.22 1.92 -0.00 -1.35 -0.44 114.38 114.06 2kvr h ARG 7 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2kvr h ARG 7 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.47 2kvr h ARG 7 CO 0.02 0.39 -0.22 1.25 -0.00 0.00 0.00 179.97 181.42 2kvr h LEU 8 N 0.00 -0.58 -1.10 0.08 6.46 -1.36 -2.71 115.31 116.10 2kvr h LEU 8 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2kvr h LEU 8 Cb 0.80 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 2kvr h LEU 8 CO 0.05 -0.32 0.16 1.56 -0.62 0.00 0.00 178.44 179.27 2kvr h GLN 9 N -0.46 0.80 -0.98 1.25 4.20 -0.72 0.47 115.11 119.66 2kvr h GLN 9 Ca -0.00 -0.14 0.08 0.00 0.06 0.00 0.00 58.65 58.65 2kvr h GLN 9 Cb 0.43 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 2kvr h GLN 9 CO -0.05 0.70 0.63 1.49 -0.67 0.00 0.00 178.83 180.92 2kvr h GLU 10 N 0.78 1.06 0.13 1.46 4.81 -0.94 -1.99 114.58 119.89 2kvr h GLU 10 Ca 0.18 -0.06 -0.32 0.00 -0.13 0.00 0.00 59.36 59.02 2kvr h GLU 10 Cb 0.24 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2kvr h GLU 10 CO -0.01 0.70 -1.63 0.93 -0.73 0.00 0.00 179.01 178.28 2kvr h GLU 11 N 1.09 0.28 0.00 1.92 5.08 -1.20 -3.37 114.58 118.38 2kvr h GLU 11 Ca 0.44 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kvr h GLU 11 Cb 0.26 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kvr h GLU 11 CO -0.20 1.14 0.00 -0.22 -1.00 0.00 0.00 179.01 178.73 2kvr h LYS 12 N 0.08 0.00 -0.84 2.33 3.64 -0.30 -3.14 116.57 118.34 2kvr h LYS 12 Ca -0.28 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.34 2kvr h LYS 12 Cb 2.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.83 2kvr h LYS 12 CO 0.16 0.00 0.83 0.00 -2.27 0.00 0.00 179.45 178.17 2kvr h ARG 13 N 0.00 0.00 0.00 1.90 2.47 -1.56 -1.40 114.38 115.80 2kvr h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kvr h ARG 13 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2kvr h ARG 13 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 179.97 180.97 2kvr n ILE 14 N -3.64 0.79 0.25 2.04 -0.00 -1.19 -3.31 119.36 114.31 2kvr n ILE 14 Ca 0.18 0.18 0.16 0.00 -0.00 0.00 0.00 62.75 63.28 2kvr n ILE 14 Cb 1.12 -0.93 0.88 0.00 -0.00 0.00 0.00 39.64 40.71 2kvr n ILE 14 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2kvr h GLU 15 N 0.00 0.00 -0.43 6.28 5.08 -1.55 -1.56 114.58 122.39 2kvr h GLU 15 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2kvr h GLU 15 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kvr h GLU 15 CO 0.00 0.00 0.31 0.00 -1.00 0.00 0.00 179.01 178.32 2kvr h ALA 16 N 1.86 2.36 0.06 3.43 0.00 -1.81 0.32 119.26 125.48 2kvr h ALA 16 Ca 0.04 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 2kvr h ALA 16 Cb 0.27 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2kvr h ALA 16 CO -0.00 -0.48 -2.07 0.94 0.00 0.00 0.00 179.25 177.65 2kvr n GLN 17 N -4.42 0.68 0.14 0.00 7.27 -0.67 -4.70 117.38 115.69 2kvr n GLN 17 Ca 0.07 0.28 0.13 0.00 0.07 0.00 0.00 57.00 57.55 2kvr n GLN 17 Cb 0.48 -1.64 0.31 0.00 2.41 0.00 0.00 30.24 31.80 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2kvr h LYS 18 N -0.23 0.00 0.00 3.69 1.63 -0.69 -3.02 116.57 117.95 2kvr h LYS 18 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kvr h LYS 18 Cb 1.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 2kvr h LYS 18 CO -0.06 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.48 2kvr n ARG 19 N -2.55 0.20 -1.40 1.90 1.74 0.04 -4.05 116.66 112.54 2kvr n ARG 19 Ca 0.05 0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.84 2kvr n ARG 19 Cb 0.47 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 2kvr n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kvr n LYS 20 N -1.36 2.58 -2.96 5.56 5.02 -1.14 -4.95 118.16 120.90 2kvr n LYS 20 Ca 0.08 -2.22 -0.34 0.00 -2.02 0.00 0.00 58.31 53.82 2kvr n LYS 20 Cb 0.20 -3.02 -0.07 0.00 -0.02 0.00 0.00 35.03 32.12 2kvr n LYS 20 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2kvr s GLU 21 N 3.50 4.19 0.05 1.97 -6.30 -1.26 -5.08 118.70 115.77 2kvr s GLU 21 Ca 0.53 0.95 -0.08 0.00 -2.50 0.00 0.00 54.97 53.87 2kvr s GLU 21 Cb 0.14 -2.41 -0.00 0.00 0.00 0.00 0.00 34.13 31.87 2kvr s GLU 21 CO -0.03 0.11 0.16 0.50 0.02 0.00 0.00 175.26 176.03 2kvr s ARG 22 N -2.87 0.70 0.95 4.30 3.52 -1.26 -5.16 118.95 119.13 2kvr s ARG 22 Ca 0.56 -0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 55.30 2kvr s ARG 22 Cb -0.11 0.29 0.14 0.00 -1.56 0.00 0.00 34.95 33.70 2kvr s ARG 22 CO 0.17 -0.20 0.98 1.04 -0.81 0.00 0.00 175.30 176.47 2kvr n GLN 23 N 0.51 -0.63 -1.47 5.12 3.00 -1.26 -4.71 117.38 117.94 2kvr n GLN 23 Ca -0.18 -0.13 -0.61 0.00 -0.01 0.00 0.00 57.00 56.07 2kvr n GLN 23 Cb 0.60 -2.25 -0.10 0.00 0.00 0.00 0.00 30.24 28.48 2kvr n GLN 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2kvr n GLU 24 N -3.80 0.23 0.00 -1.09 0.00 -1.26 -4.88 120.64 109.85 2kvr n GLU 24 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2kvr n GLU 24 Cb 0.53 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 30.30 2kvr n GLU 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kvr n ALA 25 N 6.49 0.00 0.00 -1.84 0.00 -1.26 -5.01 120.51 118.89 2kvr n ALA 25 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2kvr n ALA 25 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.73 0.00 1.44 -1.26 -1.30 115.22 115.83 2kvr n HIS 26 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 2kvr n HIS 26 Cb 0.00 -0.40 0.82 0.00 0.12 0.00 0.00 29.99 30.53 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 -1.39 0.00 -1.09 2.39 7.99 -1.26 -4.41 117.00 119.23 2kvr n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2kvr n LEU 27 Cb 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 2kvr n LEU 27 CO 0.00 0.00 0.23 -1.22 -1.51 0.00 0.00 177.39 174.89 2kvr n TYR 28 N -1.00 0.00 -0.33 -1.77 4.02 -0.42 -1.21 117.16 116.45 2kvr n TYR 28 Ca 0.21 -0.23 -0.13 0.00 -0.01 0.00 0.00 57.90 57.74 2kvr n TYR 28 Cb 0.09 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.21 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 0.91 0.00 -3.05 -0.72 0.00 0.63 -2.88 117.12 112.02 2kvr n MET 29 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.30 2kvr n MET 29 Cb 0.20 -0.30 -0.05 0.00 0.00 0.00 0.00 33.22 33.08 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 0.43 4.45 -0.09 2.12 1.11 -1.26 -1.18 119.66 125.24 2kvr s GLN 30 Ca 0.20 0.98 0.02 0.00 0.01 0.00 0.00 55.36 56.56 2kvr s GLN 30 Cb -0.28 -3.35 0.02 0.00 -1.01 0.00 0.00 33.01 28.38 2kvr s GLN 30 CO 0.15 0.32 -0.12 0.54 0.01 0.00 0.00 175.29 176.19 2kvr s VAL 31 N -0.15 1.24 -0.52 1.09 0.11 -0.55 -2.49 120.40 119.13 2kvr s VAL 31 Ca 0.36 -0.50 -0.27 0.00 -2.93 0.00 0.00 61.98 58.64 2kvr s VAL 31 Cb -0.20 -1.15 0.03 0.00 -1.53 0.00 0.00 36.38 33.53 2kvr s VAL 31 CO 0.21 0.39 1.05 -1.10 -3.33 0.00 0.00 175.10 172.32 2kvr s GLN 32 N 0.96 3.52 -0.04 1.54 -0.21 0.15 -2.41 119.66 123.17 2kvr s GLN 32 Ca -0.08 0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.49 2kvr s GLN 32 Cb -0.15 -3.98 -0.03 0.00 1.00 0.00 0.00 33.01 29.85 2kvr s GLN 32 CO -0.00 -1.45 -0.12 0.42 -2.12 0.00 0.00 175.29 172.02 2kvr s ILE 33 N 4.29 3.25 -0.04 1.08 -1.09 -0.70 -1.34 121.20 126.65 2kvr s ILE 33 Ca 0.39 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2kvr s ILE 33 Cb -0.09 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.49 2kvr s ILE 33 CO 0.25 0.54 -0.05 0.68 -1.23 0.00 0.00 174.94 175.13 2kvr s VAL 34 N -0.81 0.58 -0.22 2.92 -7.23 -1.24 -1.41 120.40 112.99 2kvr s VAL 34 Ca 0.13 -0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2kvr s VAL 34 Cb -0.11 -0.58 0.08 0.00 0.56 0.00 0.00 36.38 36.33 2kvr s VAL 34 CO 0.02 0.22 0.09 0.00 -0.31 0.00 0.00 175.10 175.13 2kvr s ALA 35 N 0.73 0.65 -0.89 1.32 0.00 -1.26 -2.91 121.76 119.40 2kvr s ALA 35 Ca -0.10 -0.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 2kvr s ALA 35 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2kvr s ALA 35 CO 0.00 -1.35 1.94 -2.00 0.00 0.00 0.00 175.76 174.35 2kvr s GLU 36 N 2.05 2.57 0.00 0.00 2.12 -1.26 -4.78 118.70 119.40 2kvr s GLU 36 Ca 0.04 -0.26 0.24 0.00 0.36 0.00 0.00 54.97 55.35 2kvr s GLU 36 Cb -0.16 -5.04 1.03 0.00 0.26 0.00 0.00 34.13 30.22 2kvr s GLU 36 CO -0.19 -3.34 1.72 -3.47 -0.54 0.00 0.00 175.26 169.44 2kvr n ASP 37 N 13.86 1.20 0.22 -1.70 2.03 -0.45 -4.01 116.55 127.71 2kvr n ASP 37 Ca 0.39 -1.52 0.15 0.00 0.52 0.00 0.00 54.79 54.34 2kvr n ASP 37 Cb 0.47 -0.04 0.74 0.00 -0.72 0.00 0.00 41.12 41.57 2kvr n ASP 37 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2kvr h GLN 38 N 1.73 0.00 -0.14 -0.67 3.07 -1.78 -0.20 115.11 117.12 2kvr h GLN 38 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.63 2kvr h GLN 38 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 2kvr h GLN 38 CO 0.00 0.00 -0.38 0.74 0.09 0.00 0.00 178.83 179.28 2kvr h PHE 39 N 0.00 0.36 0.00 0.06 0.04 -1.94 -3.08 116.94 112.37 2kvr h PHE 39 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2kvr h PHE 39 Cb 0.17 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2kvr h PHE 39 CO 0.00 0.65 -0.16 0.00 -0.60 0.00 0.00 178.31 178.20 2kvr n GLY 41 N 1.76 2.17 3.58 0.00 0.00 -0.25 -4.90 105.19 107.55 2kvr n GLY 41 Ca -0.02 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2kvr n GLY 41 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kvr s HIS 42 N 6.71 2.49 0.29 1.61 -0.00 -1.16 -4.46 115.29 120.77 2kvr s HIS 42 Ca 0.59 -0.90 -0.19 0.00 -0.00 0.00 0.00 55.06 54.56 2kvr s HIS 42 Cb 0.04 -4.50 0.06 0.00 -0.00 0.00 0.00 32.58 28.18 2kvr s HIS 42 CO 0.09 -1.61 0.90 1.14 -0.00 0.00 0.00 174.74 175.26 2kvr s GLN 43 N 5.01 1.80 -0.50 -0.38 1.03 -1.26 -5.12 119.66 120.24 2kvr s GLN 43 Ca 0.59 -1.15 0.07 0.00 0.04 0.00 0.00 55.36 54.91 2kvr s GLN 43 Cb 0.02 0.51 0.20 0.00 0.03 0.00 0.00 33.01 33.77 2kvr s GLN 43 CO 0.09 -0.84 0.71 0.41 -2.54 0.00 0.00 175.29 173.12 2kvr n GLY 44 N -0.59 -0.07 0.23 2.60 0.00 -1.26 -5.00 105.19 101.09 2kvr n GLY 44 Ca -0.06 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2kvr n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kvr h ASN 45 N 4.88 0.00 -0.12 1.61 2.35 -1.99 -3.46 115.58 118.85 2kvr h ASN 45 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2kvr h ASN 45 Cb 1.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 2kvr h ASN 45 CO 0.12 0.20 -0.05 -0.67 -1.65 0.00 0.00 177.43 175.38 2kvr n ASP 46 N -3.51 -4.89 -3.76 5.81 2.03 -1.26 -4.93 116.55 106.03 2kvr n ASP 46 Ca -0.01 0.06 -0.28 0.00 0.52 0.00 0.00 54.79 55.09 2kvr n ASP 46 Cb 0.36 -2.62 -0.12 0.00 -0.72 0.00 0.00 41.12 38.02 2kvr n ASP 46 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2kvr s MET 47 N -1.65 1.93 -0.86 -0.67 -1.94 -1.26 -4.85 119.30 109.99 2kvr s MET 47 Ca 0.00 -2.85 -0.03 0.00 -1.71 0.00 0.00 55.69 51.10 2kvr s MET 47 Cb 0.00 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 2kvr s MET 47 CO 0.00 -1.28 0.77 0.98 -0.01 0.00 0.00 175.02 175.47 2kvr n TYR 48 N 2.44 -2.71 -2.37 -0.03 9.36 -1.26 -4.91 117.16 117.69 2kvr n TYR 48 Ca 0.20 0.99 -0.38 0.00 3.32 0.00 0.00 57.90 62.03 2kvr n TYR 48 Cb 0.38 -4.00 -0.03 0.00 -0.63 0.00 0.00 39.34 35.06 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 -3.15 5.94 0.15 2.98 1.01 -1.26 -4.83 116.67 117.51 2kvr s ASP 49 Ca 0.17 -0.77 0.15 0.00 0.71 0.00 0.00 52.55 52.81 2kvr s ASP 49 Cb -0.03 -2.56 0.69 0.00 1.01 0.00 0.00 42.92 42.04 2kvr s ASP 49 CO 0.76 -1.99 1.46 -0.62 0.21 0.00 0.00 175.17 174.99 2kvr n GLU 50 N 9.05 0.09 0.07 8.23 1.02 -1.26 -0.68 120.64 137.15 2kvr n GLU 50 Ca 0.25 0.46 -0.14 0.00 -0.02 0.00 0.00 57.16 57.71 2kvr n GLU 50 Cb 0.50 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.42 -0.56 3.49 3.07 -1.90 -3.37 114.58 115.73 2kvr h GLU 51 Ca 0.00 -0.48 -0.34 0.00 -0.50 0.00 0.00 59.36 58.04 2kvr h GLU 51 Cb 0.14 0.14 -0.41 0.00 -0.84 0.00 0.00 28.75 27.79 2kvr h GLU 51 CO 0.00 1.14 -1.03 1.17 -1.40 0.00 0.00 179.01 178.89 2kvr n LYS 52 N -3.73 2.28 -1.16 2.33 3.00 -0.45 -1.34 118.16 119.08 2kvr n LYS 52 Ca -0.07 -3.71 -0.29 0.00 -0.00 0.00 0.00 58.31 54.24 2kvr n LYS 52 Cb 0.86 -1.80 0.16 0.00 0.00 0.00 0.00 35.03 34.25 2kvr n LYS 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2kvr s VAL 53 N -4.04 2.37 0.27 3.15 -7.23 0.14 -4.89 120.40 110.17 2kvr s VAL 53 Ca 0.34 0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 60.59 2kvr s VAL 53 Cb 0.35 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 34.77 2kvr s VAL 53 CO -0.02 -0.16 0.29 0.29 -0.31 0.00 0.00 175.10 175.20 2kvr n LYS 54 N -4.06 -0.95 -1.49 4.82 4.01 -1.26 -4.87 118.16 114.37 2kvr n LYS 54 Ca 0.06 -0.46 -0.47 0.00 -0.51 0.00 0.00 58.31 56.93 2kvr n LYS 54 Cb 0.56 -0.37 -0.06 0.00 -0.51 0.00 0.00 35.03 34.65 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 -2.77 1.58 -2.45 2.13 4.01 -1.26 -4.91 117.16 113.48 2kvr n TYR 55 Ca 0.04 0.18 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 2kvr n TYR 55 Cb 0.14 -2.58 -0.03 0.00 -0.31 0.00 0.00 39.34 36.57 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 8.29 4.20 -0.51 -0.72 -1.32 -0.50 -4.81 115.64 120.27 2kvr s THR 56 Ca 1.08 1.55 -0.13 0.00 -1.21 0.00 0.00 61.69 62.98 2kvr s THR 56 Cb -0.69 -3.99 0.12 0.00 -1.51 0.00 0.00 72.50 66.43 2kvr s THR 56 CO 0.43 0.03 0.43 -0.69 -2.21 0.00 0.00 174.62 172.62 2kvr s VAL 57 N 1.90 4.81 -0.29 5.08 1.01 -1.26 -1.71 120.40 129.94 2kvr s VAL 57 Ca 0.57 -1.59 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 2kvr s VAL 57 Cb -0.26 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2kvr s VAL 57 CO 0.24 -0.82 0.41 -0.36 0.00 0.00 0.00 175.10 174.58 2kvr s PHE 58 N 1.51 3.23 -0.47 5.22 0.08 -1.01 -4.87 117.98 121.67 2kvr s PHE 58 Ca 0.04 0.33 -0.17 0.00 0.12 0.00 0.00 56.93 57.26 2kvr s PHE 58 Cb -0.28 -2.66 0.06 0.00 -0.57 0.00 0.00 43.02 39.56 2kvr s PHE 58 CO 0.02 -0.32 0.45 -1.59 -0.10 0.00 0.00 175.22 173.68 2kvr s LYS 59 N 2.14 3.03 0.16 0.44 0.00 -1.26 -1.49 119.74 122.76 2kvr s LYS 59 Ca 0.16 -1.13 0.01 0.00 0.00 0.00 0.00 55.97 55.01 2kvr s LYS 59 Cb -0.16 -4.09 -0.04 0.00 0.00 0.00 0.00 37.83 33.54 2kvr s LYS 59 CO 0.11 -1.02 0.03 0.14 0.00 0.00 0.00 175.35 174.60 2kvr s VAL 60 N 1.95 0.43 -0.14 1.79 -7.23 -0.32 -4.84 120.40 112.03 2kvr s VAL 60 Ca 0.08 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 2kvr s VAL 60 Cb -0.22 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2kvr s VAL 60 CO 0.09 -0.47 1.72 -0.76 -0.31 0.00 0.00 175.10 175.38 2kvr s LEU 61 N -3.12 4.05 0.44 1.32 1.43 -1.24 -0.27 118.68 121.29 2kvr s LEU 61 Ca 0.24 1.96 0.11 0.00 -1.03 0.00 0.00 54.13 55.41 2kvr s LEU 61 Cb 0.07 -3.53 0.97 0.00 0.03 0.00 0.00 46.19 43.73 2kvr s LEU 61 CO 0.03 -1.20 2.04 0.07 0.23 0.00 0.00 176.35 177.52 2kvr h LYS 62 N 10.75 0.24 -0.61 1.70 2.10 -1.49 -2.07 116.57 127.18 2kvr h LYS 62 Ca -0.38 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2kvr h LYS 62 Cb 1.18 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2kvr h LYS 62 CO 0.98 0.24 0.00 0.27 -2.00 0.00 0.00 179.45 178.94 2kvr n ASN 63 N -4.42 3.17 -4.95 7.07 6.94 -1.26 -0.74 115.26 121.07 2kvr n ASN 63 Ca -0.00 -2.30 -0.23 0.00 -0.02 0.00 0.00 54.58 52.02 2kvr n ASN 63 Cb 0.15 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 37.09 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 -0.70 6.29 0.51 0.53 0.15 -0.78 -4.93 113.70 114.77 2kvr s SER 64 Ca 0.31 0.38 -0.22 0.00 0.70 0.00 0.00 55.95 57.13 2kvr s SER 64 Cb 0.21 -2.00 -0.06 0.00 -1.71 0.00 0.00 66.02 62.46 2kvr s SER 64 CO 0.14 -0.26 1.24 -0.44 1.20 0.00 0.00 173.24 175.12 2kvr s SER 65 N -4.03 5.72 0.45 5.45 0.01 -1.26 -1.77 113.70 118.27 2kvr s SER 65 Ca 0.39 2.48 0.19 0.00 1.31 0.00 0.00 55.95 60.32 2kvr s SER 65 Cb -0.09 -2.61 1.06 0.00 0.21 0.00 0.00 66.02 64.59 2kvr s SER 65 CO 0.35 -1.24 1.96 0.25 0.41 0.00 0.00 173.24 174.96 2kvr h LEU 66 N 1.68 0.00 -1.15 2.44 7.12 -1.31 -1.96 115.31 122.13 2kvr h LEU 66 Ca -0.50 0.00 0.10 0.00 0.13 0.00 0.00 57.88 57.61 2kvr h LEU 66 Cb 1.27 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.33 2kvr h LEU 66 CO 0.58 0.22 0.60 0.00 -0.13 0.00 0.00 178.44 179.71 2kvr h ALA 67 N 1.78 1.60 -0.12 1.25 0.00 -1.49 -0.52 119.26 121.76 2kvr h ALA 67 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2kvr h ALA 67 Cb 0.46 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kvr h ALA 67 CO 0.03 0.20 -0.66 0.93 0.00 0.00 0.00 179.25 179.75 2kvr h GLU 68 N 0.93 0.46 -0.29 0.00 5.08 -1.67 -2.38 114.58 116.71 2kvr h GLU 68 Ca 0.43 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2kvr h GLU 68 Cb 0.42 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kvr h GLU 68 CO -0.20 0.96 0.07 0.35 -1.00 0.00 0.00 179.01 179.20 2kvr h PHE 69 N 0.33 0.49 -0.05 4.33 3.57 -1.27 -2.55 116.94 121.80 2kvr h PHE 69 Ca -0.02 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 2kvr h PHE 69 Cb 1.22 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kvr h PHE 69 CO 0.04 0.54 0.02 0.28 -2.23 0.00 0.00 178.31 176.96 2kvr h VAL 70 N 0.31 1.10 -0.33 1.41 2.07 -1.07 -1.31 116.25 118.43 2kvr h VAL 70 Ca 0.09 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2kvr h VAL 70 Cb 0.29 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2kvr h VAL 70 CO 0.00 0.08 -0.10 0.06 0.02 0.00 0.00 177.57 177.63 2kvr h GLN 71 N -0.04 0.55 -0.50 1.57 3.07 -1.48 0.18 115.11 118.47 2kvr h GLN 71 Ca 0.02 -0.16 -0.07 0.00 0.09 0.00 0.00 58.65 58.53 2kvr h GLN 71 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 2kvr h GLN 71 CO -0.00 0.66 0.03 0.77 0.09 0.00 0.00 178.83 180.38 2kvr h SER 72 N 0.51 0.83 0.46 0.06 0.02 -1.34 -2.15 113.55 111.95 2kvr h SER 72 Ca 0.10 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2kvr h SER 72 Cb 0.49 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2kvr h SER 72 CO 0.03 0.92 -0.40 0.25 -1.14 0.00 0.00 176.83 176.48 2kvr h LEU 73 N 0.73 0.00 -0.48 5.07 6.46 -0.60 -1.96 115.31 124.54 2kvr h LEU 73 Ca 0.15 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.73 2kvr h LEU 73 Cb 0.47 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2kvr h LEU 73 CO 0.02 0.40 -0.69 -1.28 -0.62 0.00 0.00 178.44 176.27 2kvr h SER 74 N 0.00 0.41 0.52 1.25 0.87 -0.41 -2.72 113.55 113.47 2kvr h SER 74 Ca -0.00 -0.26 -0.29 0.00 -1.23 0.00 0.00 61.79 60.00 2kvr h SER 74 Cb 0.75 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2kvr h SER 74 CO 0.05 0.98 -1.49 1.56 -0.53 0.00 0.00 176.83 177.40 2kvr h GLN 75 N 0.24 0.19 0.02 2.24 1.08 -1.23 -1.74 115.11 115.91 2kvr h GLN 75 Ca -0.02 -0.32 -0.22 0.00 -1.45 0.00 0.00 58.65 56.64 2kvr h GLN 75 Cb 1.25 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2kvr h GLN 75 CO 0.11 1.03 -0.95 0.00 -0.95 0.00 0.00 178.83 178.07 2kvr h THR 76 N 0.05 1.45 0.00 -0.54 1.03 -1.41 -3.35 112.91 110.14 2kvr h THR 76 Ca -0.22 -2.59 -0.16 0.00 -0.01 0.00 0.00 66.41 63.43 2kvr h THR 76 Cb 1.98 2.50 -0.03 0.00 -1.07 0.00 0.00 68.15 71.53 2kvr h THR 76 CO 0.15 0.76 -1.89 0.23 -0.01 0.00 0.00 175.52 174.75 2kvr n MET 77 N -3.69 1.17 -0.47 0.00 2.81 -1.03 -5.02 117.12 110.90 2kvr n MET 77 Ca -0.06 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2kvr n MET 77 Cb 0.85 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 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 1.91 0.75 3.72 3.03 0.00 -0.66 -5.06 105.19 108.87 2kvr n GLY 78 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.40 3.33 0.10 1.61 0.40 -1.20 -4.97 117.98 114.86 2kvr s PHE 79 Ca 0.00 1.13 -0.32 0.00 -0.60 0.00 0.00 56.93 57.14 2kvr s PHE 79 Cb 0.00 -3.56 -0.11 0.00 0.51 0.00 0.00 43.02 39.86 2kvr s PHE 79 CO 0.00 -1.85 1.82 -0.35 0.70 0.00 0.00 175.22 175.54 2kvr n PRO 80 N 3.80 2.65 0.12 0.24 -0.04 -1.26 -4.28 135.00 136.22 2kvr n PRO 80 Ca 0.10 0.96 0.05 0.00 -0.04 0.00 0.00 63.50 64.57 2kvr n PRO 80 Cb 0.44 -2.84 0.49 0.00 -0.04 0.00 0.00 33.50 31.56 2kvr n PRO 80 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2kvr h GLN 81 N 8.37 0.28 -0.12 0.54 3.07 -1.90 -0.45 115.11 124.90 2kvr h GLN 81 Ca -0.47 -0.03 -0.08 0.00 0.09 0.00 0.00 58.65 58.17 2kvr h GLN 81 Cb 1.23 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 2kvr h GLN 81 CO 0.94 0.23 -0.28 0.22 0.09 0.00 0.00 178.83 180.03 2kvr h ASP 82 N 0.28 0.21 0.05 0.06 3.58 -1.97 -2.93 116.42 115.71 2kvr h ASP 82 Ca 0.07 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kvr h ASP 82 Cb 0.06 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kvr h ASP 82 CO -0.01 0.50 -0.22 0.00 -2.88 0.00 0.00 179.24 176.64 2kvr n GLN 83 N -4.14 1.43 -2.04 0.28 6.02 -0.29 -4.82 117.38 113.82 2kvr n GLN 83 Ca -0.01 -1.04 -0.37 0.00 -0.01 0.00 0.00 57.00 55.57 2kvr n GLN 83 Cb 0.38 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.29 3.37 0.35 5.09 1.01 -0.53 -3.78 121.20 124.42 2kvr s ILE 84 Ca 0.26 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.06 2kvr s ILE 84 Cb 0.19 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2kvr s ILE 84 CO 0.45 -0.92 0.52 -0.13 0.00 0.00 0.00 174.94 174.86 2kvr s ARG 85 N 7.04 3.27 0.03 2.79 3.00 -0.98 -4.96 118.95 129.14 2kvr s ARG 85 Ca 0.67 -0.64 0.03 0.00 0.00 0.00 0.00 55.73 55.80 2kvr s ARG 85 Cb -0.12 -2.72 -0.02 0.00 0.00 0.00 0.00 34.95 32.09 2kvr s ARG 85 CO 0.18 0.08 -0.09 -0.51 0.00 0.00 0.00 175.30 174.96 2kvr s LEU 86 N -4.27 2.18 -0.20 2.53 1.43 -1.26 -1.15 118.68 117.94 2kvr s LEU 86 Ca 0.42 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2kvr s LEU 86 Cb -0.10 -0.29 0.06 0.00 0.03 0.00 0.00 46.19 45.89 2kvr s LEU 86 CO 0.34 -0.09 0.01 0.26 0.23 0.00 0.00 176.35 177.10 2kvr s TRP 87 N -0.96 1.40 0.15 0.29 0.52 -0.85 -2.26 118.94 117.22 2kvr s TRP 87 Ca -0.04 -1.07 -0.30 0.00 0.02 0.00 0.00 56.10 54.70 2kvr s TRP 87 Cb -0.08 -1.18 -0.07 0.00 -1.15 0.00 0.00 33.47 31.00 2kvr s TRP 87 CO 0.01 -0.64 1.16 -1.25 0.02 0.00 0.00 176.95 176.24 2kvr s PRO 88 N 1.73 4.51 -0.33 4.98 0.04 -1.26 -1.22 135.00 143.45 2kvr s PRO 88 Ca -0.02 1.79 -0.41 0.00 0.04 0.00 0.00 61.00 62.39 2kvr s PRO 88 Cb -0.17 -3.28 -0.16 0.00 0.04 0.00 0.00 34.50 30.92 2kvr s PRO 88 CO -0.07 -0.08 1.75 0.00 0.04 0.00 0.00 177.00 178.64 2kvr n MET 89 N 2.87 0.91 -4.58 4.56 0.00 -1.09 -4.97 117.12 114.82 2kvr n MET 89 Ca 0.05 0.33 -0.23 0.00 0.00 0.00 0.00 57.70 57.85 2kvr n MET 89 Cb 0.46 -1.99 -0.14 0.00 0.00 0.00 0.00 33.22 31.54 2kvr n MET 89 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2kvr s GLN 90 N 3.64 1.22 -0.32 3.17 0.00 -1.26 -5.03 119.66 121.09 2kvr s GLN 90 Ca 1.01 -0.80 0.10 0.00 -0.00 0.00 0.00 55.36 55.67 2kvr s GLN 90 Cb -1.15 -1.27 0.76 0.00 0.00 0.00 0.00 33.01 31.36 2kvr s GLN 90 CO 0.68 0.33 1.82 0.00 0.00 0.00 0.00 175.29 178.12 2kvr n ALA 91 N 2.05 4.60 -2.26 2.60 0.00 -1.26 -5.00 120.51 121.24 2kvr n ALA 91 Ca -0.17 -2.32 -0.34 0.00 0.00 0.00 0.00 53.44 50.61 2kvr n ALA 91 Cb 0.54 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 2kvr n ALA 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kvr s ARG 92 N -2.99 3.98 0.52 0.00 3.00 -1.26 -5.11 118.95 117.09 2kvr s ARG 92 Ca 0.56 0.55 -0.09 0.00 0.00 0.00 0.00 55.73 56.75 2kvr s ARG 92 Cb 0.44 -2.67 0.12 0.00 0.00 0.00 0.00 34.95 32.84 2kvr s ARG 92 CO 0.14 0.31 0.70 0.43 0.00 0.00 0.00 175.30 176.88 2kvr n SER 93 N 0.13 0.05 -4.59 0.23 7.64 -1.26 -4.94 113.62 110.88 2kvr n SER 93 Ca -0.00 -1.25 -0.42 0.00 1.01 0.00 0.00 58.87 58.21 2kvr n SER 93 Cb 0.52 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 2kvr n SER 93 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kvr n ASN 94 N -3.45 3.07 -1.88 6.43 4.13 -1.26 -2.51 115.26 119.79 2kvr n ASN 94 Ca 0.09 0.08 -0.17 0.00 1.68 0.00 0.00 54.58 56.26 2kvr n ASN 94 Cb 0.30 -1.56 -0.01 0.00 -1.54 0.00 0.00 39.78 36.97 2kvr n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kvr n GLY 95 N 5.84 -0.19 0.35 7.41 0.00 -1.26 -4.94 105.19 112.40 2kvr n GLY 95 Ca 0.31 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2kvr n GLY 95 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kvr h THR 96 N 0.00 0.31 -0.48 2.61 2.02 -1.85 -2.94 112.91 112.58 2kvr h THR 96 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2kvr h THR 96 Cb 1.28 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2kvr h THR 96 CO 0.48 0.00 0.00 2.29 0.37 0.00 0.00 175.52 178.66 2kvr n LYS 97 N -5.43 2.81 -3.65 6.66 2.85 -1.26 -4.99 118.16 115.14 2kvr n LYS 97 Ca -0.08 -2.26 -0.28 0.00 -1.05 0.00 0.00 58.31 54.63 2kvr n LYS 97 Cb 0.34 -1.37 0.04 0.00 -0.65 0.00 0.00 35.03 33.39 2kvr n LYS 97 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2kvr n ARG 98 N 0.92 -1.77 -2.44 -1.58 5.12 -1.11 -4.90 116.66 110.89 2kvr n ARG 98 Ca 0.16 0.52 -0.42 0.00 -1.93 0.00 0.00 57.85 56.17 2kvr n ARG 98 Cb 0.49 -4.44 -0.03 0.00 -1.16 0.00 0.00 32.46 27.33 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kvr s PRO 99 N -5.82 4.33 0.49 5.56 0.04 -1.26 -5.04 135.00 133.30 2kvr s PRO 99 Ca 0.41 1.68 0.06 0.00 0.04 0.00 0.00 61.00 63.19 2kvr s PRO 99 Cb -0.13 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 30.85 2kvr s PRO 99 CO 0.84 -0.49 0.68 0.00 0.04 0.00 0.00 177.00 178.07 2kvr s ALA 100 N 2.43 4.33 1.03 8.56 0.00 -1.26 -5.04 121.76 131.81 2kvr s ALA 100 Ca 0.56 -1.63 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 2kvr s ALA 100 Cb -0.24 -1.76 0.21 0.00 0.00 0.00 0.00 23.12 21.32 2kvr s ALA 100 CO 0.21 -0.55 1.09 0.00 0.00 0.00 0.00 175.76 176.52 2kvr s MET 101 N -4.55 0.15 0.23 0.00 0.23 -1.26 -4.90 119.30 109.21 2kvr s MET 101 Ca 0.57 0.43 -0.30 0.00 -1.03 0.00 0.00 55.69 55.35 2kvr s MET 101 Cb -0.09 -1.71 -0.10 0.00 -1.53 0.00 0.00 34.83 31.40 2kvr s MET 101 CO 0.36 -2.90 1.42 -0.51 -2.03 0.00 0.00 175.02 171.36 2kvr s LEU 102 N -6.54 4.39 -0.04 0.18 2.01 -0.96 -4.96 118.68 112.76 2kvr s LEU 102 Ca 0.66 2.60 -0.30 0.00 0.01 0.00 0.00 54.13 57.11 2kvr s LEU 102 Cb -0.18 -3.62 -0.07 0.00 0.01 0.00 0.00 46.19 42.33 2kvr s LEU 102 CO 0.58 -0.68 1.92 -1.81 1.01 0.00 0.00 176.35 177.37 2kvr s ASP 103 N 0.44 6.32 0.54 2.29 1.01 -1.26 -4.74 116.67 121.26 2kvr s ASP 103 Ca 0.60 2.39 0.26 0.00 0.71 0.00 0.00 52.55 56.51 2kvr s ASP 103 Cb -0.41 -2.53 1.52 0.00 1.01 0.00 0.00 42.92 42.51 2kvr s ASP 103 CO 0.41 -1.19 2.13 -1.13 0.21 0.00 0.00 175.17 175.60 2kvr h ASN 104 N 11.13 0.00 0.60 0.27 -0.00 -1.93 0.41 115.58 126.06 2kvr h ASN 104 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 55.82 2kvr h ASN 104 Cb 1.22 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.55 2kvr h ASN 104 CO 0.95 0.08 -0.29 -0.08 -0.00 0.00 0.00 177.43 178.09 2kvr h GLU 105 N 0.00 -0.78 0.44 6.67 4.57 -1.96 -2.40 114.58 121.11 2kvr h GLU 105 Ca -0.00 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2kvr h GLU 105 Cb 0.20 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2kvr h GLU 105 CO 0.01 -0.52 -0.21 0.00 -1.18 0.00 0.00 179.01 177.11 2kvr h ALA 106 N -1.25 -0.74 -0.43 2.92 0.00 -1.74 -3.17 119.26 114.85 2kvr h ALA 106 Ca -0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 2kvr h ALA 106 Cb 0.62 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 2kvr h ALA 106 CO 0.14 -0.70 0.34 -0.25 0.00 0.00 0.00 179.25 178.77 2kvr n ASP 107 N -4.43 5.09 0.00 0.00 8.00 0.14 -2.13 116.55 123.22 2kvr n ASP 107 Ca -0.07 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.56 2kvr n ASP 107 Cb 0.23 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 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 0.18 0.00 0.12 0.44 0.00 -0.90 -4.68 105.19 100.35 2kvr n GLY 108 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.43 1.47 -4.88 1.61 5.15 -0.91 -1.40 115.26 115.88 2kvr n ASN 109 Ca 0.00 0.14 -0.21 0.00 -0.60 0.00 0.00 54.58 53.92 2kvr n ASN 109 Cb 0.02 -0.28 0.08 0.00 -0.53 0.00 0.00 39.78 39.07 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 -3.21 0.41 -2.29 1.20 -0.00 -1.06 -4.71 118.16 108.48 2kvr n LYS 110 Ca -0.32 -3.06 -0.35 0.00 -0.00 0.00 0.00 58.31 54.58 2kvr n LYS 110 Cb 1.05 -0.36 -0.00 0.00 -0.00 0.00 0.00 35.03 35.72 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 -2.78 3.35 -1.81 0.58 -4.23 -1.26 -1.22 115.64 108.27 2kvr s THR 111 Ca 0.63 0.82 0.31 0.00 -1.18 0.00 0.00 61.69 62.28 2kvr s THR 111 Cb -0.05 -3.32 0.78 0.00 1.34 0.00 0.00 72.50 71.25 2kvr s THR 111 CO 0.41 -0.21 2.17 1.15 -0.54 0.00 0.00 174.62 177.60 2kvr n MET 112 N -1.32 0.81 0.04 3.99 0.00 -0.73 -3.32 117.12 116.59 2kvr n MET 112 Ca 0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.76 2kvr n MET 112 Cb 0.51 -1.50 0.15 0.00 0.00 0.00 0.00 33.22 32.38 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 0.00 1.31 -0.47 3.17 6.09 -1.20 -1.41 117.51 125.00 2kvr h ILE 113 Ca 0.00 -1.58 -0.10 0.00 -1.37 0.00 0.00 64.86 61.82 2kvr h ILE 113 Cb 0.09 1.63 -0.02 0.00 0.47 0.00 0.00 36.82 39.00 2kvr h ILE 113 CO 0.00 0.49 -0.10 -0.33 -3.07 0.00 0.00 178.15 175.13 2kvr h GLU 114 N 0.35 0.85 0.13 2.19 5.08 -1.85 -0.54 114.58 120.80 2kvr h GLU 114 Ca 0.03 -0.29 -0.22 0.00 -1.00 0.00 0.00 59.36 57.88 2kvr h GLU 114 Cb 0.88 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.09 2kvr h GLU 114 CO 0.07 0.92 -0.93 -0.07 -1.00 0.00 0.00 179.01 178.00 2kvr h LEU 115 N 0.77 0.59 -1.02 1.33 3.38 -1.74 -3.29 115.31 115.33 2kvr h LEU 115 Ca 0.13 -0.90 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 2kvr h LEU 115 Cb 0.61 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kvr h LEU 115 CO 0.04 1.44 -0.06 0.77 0.09 0.00 0.00 178.44 180.72 2kvr h SER 116 N -0.16 0.00 -3.96 -0.43 4.64 -1.17 -3.47 113.55 109.00 2kvr h SER 116 Ca -0.15 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.86 2kvr h SER 116 Cb 1.70 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.86 2kvr h SER 116 CO 0.18 0.06 -0.49 -0.67 -0.87 0.00 0.00 176.83 175.04 2kvr n ASP 117 N -3.15 -5.19 -2.12 4.97 2.03 -0.23 -2.19 116.55 110.68 2kvr n ASP 117 Ca 0.01 -0.29 -0.18 0.00 0.52 0.00 0.00 54.79 54.85 2kvr n ASP 117 Cb 0.39 -3.95 -0.01 0.00 -0.72 0.00 0.00 41.12 36.84 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 -1.68 -5.36 -4.32 1.67 3.02 -1.13 -5.01 115.26 102.46 2kvr n ASN 118 Ca -0.05 -0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.18 2kvr n ASN 118 Cb 0.58 -4.42 -0.15 0.00 -0.61 0.00 0.00 39.78 35.18 2kvr n ASN 118 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kvr s GLU 119 N -4.93 1.75 -0.26 3.52 2.56 -0.93 -5.14 118.70 115.27 2kvr s GLU 119 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 54.97 53.71 2kvr s GLU 119 Cb -0.00 -1.89 0.07 0.00 2.00 0.00 0.00 34.13 34.31 2kvr s GLU 119 CO 0.00 0.49 0.68 0.54 -0.56 0.00 0.00 175.26 176.42 2kvr s ASN 120 N -1.14 -0.77 -0.02 -1.70 6.03 -1.26 -4.26 114.94 111.81 2kvr s ASN 120 Ca 0.11 1.41 -0.30 0.00 -1.03 0.00 0.00 52.86 53.05 2kvr s ASN 120 Cb -0.10 1.39 -0.04 0.00 -3.03 0.00 0.00 41.25 39.47 2kvr s ASN 120 CO 0.02 -0.24 1.12 -2.16 -2.03 0.00 0.00 177.10 173.81 2kvr s PRO 121 N 0.73 4.43 -0.25 3.55 0.04 -1.26 -4.92 135.00 137.32 2kvr s PRO 121 Ca -0.03 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 2kvr s PRO 121 Cb -0.05 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 2kvr s PRO 121 CO -0.05 -0.29 0.20 -0.46 0.04 0.00 0.00 177.00 176.44 2kvr s TRP 122 N 1.61 3.28 -0.04 0.56 -0.00 -1.04 -4.79 118.94 118.52 2kvr s TRP 122 Ca 0.55 0.22 -0.19 0.00 -0.00 0.00 0.00 56.10 56.68 2kvr s TRP 122 Cb -0.24 -2.34 -0.05 0.00 -0.00 0.00 0.00 33.47 30.84 2kvr s TRP 122 CO 0.25 -0.03 0.55 0.99 -0.00 0.00 0.00 176.95 178.70 2kvr s THR 123 N 1.36 5.00 -0.06 5.86 2.01 -1.26 -0.67 115.64 127.88 2kvr s THR 123 Ca 0.08 1.13 -0.18 0.00 0.31 0.00 0.00 61.69 63.04 2kvr s THR 123 Cb -0.15 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.52 2kvr s THR 123 CO 0.07 0.41 0.41 -0.51 -0.69 0.00 0.00 174.62 174.31 2kvr s ILE 124 N -0.04 0.03 -0.16 1.82 2.07 -0.45 -2.68 121.20 121.78 2kvr s ILE 124 Ca 0.29 -0.27 -0.08 0.00 -1.41 0.00 0.00 60.65 59.19 2kvr s ILE 124 Cb -0.17 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 2kvr s ILE 124 CO 0.15 -0.15 0.10 -0.36 -1.91 0.00 0.00 174.94 172.78 2kvr s PHE 125 N -0.91 3.40 -0.18 3.50 0.08 -0.35 -3.69 117.98 119.82 2kvr s PHE 125 Ca -0.10 0.31 -0.23 0.00 0.12 0.00 0.00 56.93 57.04 2kvr s PHE 125 Cb -0.04 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2kvr s PHE 125 CO 0.04 0.40 0.71 -1.17 -0.10 0.00 0.00 175.22 175.10 2kvr s LEU 126 N -0.15 4.16 0.08 -0.37 0.20 -1.15 -2.01 118.68 119.45 2kvr s LEU 126 Ca 0.09 0.97 0.05 0.00 0.69 0.00 0.00 54.13 55.94 2kvr s LEU 126 Cb -0.12 -3.03 -0.04 0.00 -0.43 0.00 0.00 46.19 42.58 2kvr s LEU 126 CO 0.01 -0.31 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.01 2kvr s GLU 127 N 1.96 2.40 0.00 1.98 2.56 -0.30 -4.82 118.70 122.48 2kvr s GLU 127 Ca 0.33 -0.89 0.02 0.00 0.00 0.00 0.00 54.97 54.43 2kvr s GLU 127 Cb -0.16 -2.46 0.01 0.00 2.00 0.00 0.00 34.13 33.53 2kvr s GLU 127 CO 0.11 0.54 0.56 2.41 -0.56 0.00 0.00 175.26 178.32