#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 0.83 -0.69 0.54 4.20 -2.04 -2.06 115.11 115.88 2kvr h GLN 2 Ca 0.00 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.18 2kvr h GLN 2 Cb 0.00 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2kvr h GLN 2 CO 0.00 1.13 0.32 -0.56 -0.67 0.00 0.00 178.83 179.06 2kvr h GLN 3 N 0.60 0.99 -0.07 1.46 -0.00 -2.06 0.03 115.11 116.06 2kvr h GLN 3 Ca 0.03 -0.14 -0.23 0.00 -0.00 0.00 0.00 58.65 58.31 2kvr h GLN 3 Cb 1.06 -0.18 0.01 0.00 -0.00 0.00 0.00 27.48 28.37 2kvr h GLN 3 CO 0.11 0.77 -0.88 1.25 -0.00 0.00 0.00 178.83 180.07 2kvr h LEU 4 N 0.98 0.78 -0.07 0.06 6.46 -1.96 -2.46 115.31 119.10 2kvr h LEU 4 Ca 0.24 -0.57 -0.21 0.00 -0.12 0.00 0.00 57.88 57.22 2kvr h LEU 4 Cb 0.11 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2kvr h LEU 4 CO -0.03 1.36 -1.00 1.62 -0.62 0.00 0.00 178.44 179.77 2kvr h VAL 5 N 0.40 1.63 0.04 1.05 3.04 -1.35 -3.30 116.25 117.75 2kvr h VAL 5 Ca -0.08 -3.16 -0.00 0.00 -1.01 0.00 0.00 66.70 62.45 2kvr h VAL 5 Cb 1.51 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 33.56 2kvr h VAL 5 CO 0.17 0.91 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.54 2kvr h GLU 6 N 0.03 -0.05 -1.00 4.17 4.81 -0.87 -1.66 114.58 120.01 2kvr h GLU 6 Ca -0.04 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2kvr h GLU 6 Cb 1.72 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 31.05 2kvr h GLU 6 CO 0.14 0.01 0.65 0.07 -0.73 0.00 0.00 179.01 179.15 2kvr h ARG 7 N -0.09 1.17 -0.68 1.92 -0.00 -1.58 0.63 114.38 115.75 2kvr h ARG 7 Ca -0.00 -0.07 -0.06 0.00 -0.00 0.00 0.00 59.98 59.85 2kvr h ARG 7 Cb 0.08 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.97 29.75 2kvr h ARG 7 CO 0.01 0.77 0.21 1.25 -0.00 0.00 0.00 179.97 182.21 2kvr h LEU 8 N 1.20 1.00 -0.22 0.08 6.46 -1.54 -1.55 115.31 120.73 2kvr h LEU 8 Ca 0.42 -0.21 -0.20 0.00 -0.12 0.00 0.00 57.88 57.77 2kvr h LEU 8 Cb 0.12 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2kvr h LEU 8 CO -0.16 0.95 -0.65 1.56 -0.62 0.00 0.00 178.44 179.52 2kvr h GLN 9 N 1.00 0.82 0.00 1.25 4.20 -0.42 -0.88 115.11 121.07 2kvr h GLN 9 Ca 0.22 -0.59 -0.05 0.00 0.06 0.00 0.00 58.65 58.28 2kvr h GLN 9 Cb 0.31 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2kvr h GLN 9 CO -0.01 1.21 -0.25 0.93 -0.67 0.00 0.00 178.83 180.05 2kvr h GLU 10 N 0.58 0.00 0.05 1.46 4.39 -0.68 -2.32 114.58 118.06 2kvr h GLU 10 Ca -0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2kvr h GLU 10 Cb 1.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2kvr h GLU 10 CO 0.14 0.25 -0.66 0.93 -1.16 0.00 0.00 179.01 178.51 2kvr h GLU 11 N 0.00 0.10 0.00 2.33 5.08 -1.29 -3.40 114.58 117.40 2kvr h GLU 11 Ca -0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2kvr h GLU 11 Cb 0.81 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kvr h GLU 11 CO 0.03 1.08 -0.10 1.57 -1.00 0.00 0.00 179.01 180.59 2kvr h LYS 12 N -0.76 0.00 0.00 2.33 2.10 -0.96 -3.26 116.57 116.03 2kvr h LYS 12 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2kvr h LYS 12 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2kvr h LYS 12 CO -0.00 0.10 0.17 0.07 -2.00 0.00 0.00 179.45 177.79 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 0.11 -1.63 -1.37 114.38 111.56 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 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2kvr h ARG 13 CO 0.01 0.00 0.00 0.44 0.10 0.00 0.00 179.97 180.52 2kvr n ILE 14 N -2.89 1.02 0.39 0.08 -0.00 -1.23 -2.89 119.36 113.84 2kvr n ILE 14 Ca -0.02 0.41 0.12 0.00 -0.00 0.00 0.00 62.75 63.25 2kvr n ILE 14 Cb 0.23 -1.35 0.49 0.00 -0.00 0.00 0.00 39.64 39.01 2kvr n ILE 14 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2kvr n GLU 15 N -2.09 0.19 0.23 6.28 0.28 -0.52 -1.93 120.64 123.09 2kvr n GLU 15 Ca 0.01 0.43 0.17 0.00 -0.16 0.00 0.00 57.16 57.61 2kvr n GLU 15 Cb 0.14 -1.87 0.87 0.00 1.43 0.00 0.00 31.44 32.01 2kvr n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kvr h ALA 16 N 2.26 1.69 0.00 -1.84 0.00 -1.78 -1.09 119.26 118.49 2kvr h ALA 16 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2kvr h ALA 16 Cb 0.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2kvr h ALA 16 CO 0.00 -0.26 -2.03 0.94 0.00 0.00 0.00 179.25 177.90 2kvr n GLN 17 N -3.67 0.44 0.20 0.00 -0.06 -0.92 -4.79 117.38 108.58 2kvr n GLN 17 Ca 0.01 0.11 0.04 0.00 -2.00 0.00 0.00 57.00 55.16 2kvr n GLN 17 Cb 0.30 -1.34 0.41 0.00 -4.06 0.00 0.00 30.24 25.55 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2kvr h LYS 18 N -0.10 0.00 0.00 3.69 1.63 -1.04 -2.69 116.57 118.07 2kvr h LYS 18 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2kvr h LYS 18 Cb 1.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.23 2kvr h LYS 18 CO -0.09 0.33 0.00 0.54 -3.45 0.00 0.00 179.45 176.77 2kvr n ARG 19 N -4.02 0.46 0.10 1.90 5.12 -0.44 -3.10 116.66 116.68 2kvr n ARG 19 Ca -0.02 0.05 0.14 0.00 -1.93 0.00 0.00 57.85 56.09 2kvr n ARG 19 Cb 0.38 -1.50 0.65 0.00 -1.16 0.00 0.00 32.46 30.83 2kvr n ARG 19 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 2kvr h LYS 20 N 0.00 0.05 -1.85 5.56 2.10 -1.73 -3.48 116.57 117.22 2kvr h LYS 20 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kvr h LYS 20 Cb 0.09 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2kvr h LYS 20 CO 0.00 0.03 -0.45 -1.91 -2.00 0.00 0.00 179.45 175.12 2kvr n GLU 21 N -4.46 -2.27 -3.71 0.07 4.07 -1.18 -5.07 120.64 108.09 2kvr n GLU 21 Ca 0.04 1.70 -0.14 0.00 -0.06 0.00 0.00 57.16 58.70 2kvr n GLU 21 Cb 0.35 -1.92 -0.14 0.00 -0.06 0.00 0.00 31.44 29.68 2kvr n GLU 21 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2kvr s ARG 22 N -4.89 0.14 0.00 5.31 6.06 -1.26 -5.12 118.95 119.19 2kvr s ARG 22 Ca 0.00 0.54 0.00 0.00 -2.50 0.00 0.00 55.73 53.77 2kvr s ARG 22 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 34.95 34.87 2kvr s ARG 22 CO 0.00 -0.21 0.78 0.94 -2.50 0.00 0.00 175.30 174.31 2kvr n GLN 23 N 4.60 0.00 -3.64 5.12 7.27 -1.26 -4.66 117.38 124.81 2kvr n GLN 23 Ca -0.19 0.46 -0.24 0.00 0.07 0.00 0.00 57.00 57.10 2kvr n GLN 23 Cb 0.52 -1.28 -0.17 0.00 2.41 0.00 0.00 30.24 31.71 2kvr n GLN 23 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2kvr s GLU 24 N -2.12 0.05 0.00 3.69 4.04 -1.26 -5.05 118.70 118.06 2kvr s GLU 24 Ca 0.00 0.06 0.00 0.00 0.04 0.00 0.00 54.97 55.07 2kvr s GLU 24 Cb 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 34.13 32.77 2kvr s GLU 24 CO 0.00 -0.55 0.00 0.00 -1.84 0.00 0.00 175.26 172.87 2kvr n ALA 25 N 5.27 0.00 0.44 -0.84 0.00 -1.26 -5.00 120.51 119.13 2kvr n ALA 25 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2kvr n ALA 25 Cb 0.49 0.00 0.22 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 0.08 0.00 1.44 -1.26 -2.44 115.22 113.04 2kvr n HIS 26 Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.76 2kvr n HIS 26 Cb 0.00 -0.16 0.27 0.00 0.12 0.00 0.00 29.99 30.22 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 -1.16 0.25 -0.96 2.39 7.99 -1.26 -3.82 117.00 120.43 2kvr n LEU 27 Ca 0.05 0.62 0.00 0.00 -0.01 0.00 0.00 56.01 56.67 2kvr n LEU 27 Cb 0.05 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 42.71 2kvr n LEU 27 CO 0.05 -0.70 0.00 -1.22 -1.51 0.00 0.00 177.39 174.02 2kvr n TYR 28 N -1.84 0.00 -0.94 -1.77 4.02 -1.02 -1.02 117.16 114.60 2kvr n TYR 28 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 2kvr n TYR 28 Cb 0.02 -0.07 -0.05 0.00 -0.02 0.00 0.00 39.34 39.22 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 0.86 0.00 -3.20 -0.72 0.00 0.10 -2.93 117.12 111.24 2kvr n MET 29 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.70 57.35 2kvr n MET 29 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 33.22 32.25 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 0.33 4.13 -0.05 2.12 -0.21 -1.26 -1.47 119.66 123.24 2kvr s GLN 30 Ca 0.57 0.71 -0.00 0.00 0.02 0.00 0.00 55.36 56.66 2kvr s GLN 30 Cb -0.79 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 30.38 2kvr s GLN 30 CO 0.37 0.40 -0.01 0.54 -2.12 0.00 0.00 175.29 174.47 2kvr s VAL 31 N -1.54 0.39 -0.42 1.09 0.11 -0.66 -2.17 120.40 117.19 2kvr s VAL 31 Ca 0.42 0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 59.24 2kvr s VAL 31 Cb -0.15 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2kvr s VAL 31 CO 0.20 0.23 0.98 -1.10 -3.33 0.00 0.00 175.10 172.08 2kvr s GLN 32 N 1.43 3.72 -0.02 1.54 -0.21 0.25 -2.44 119.66 123.93 2kvr s GLN 32 Ca -0.03 0.46 0.06 0.00 0.02 0.00 0.00 55.36 55.87 2kvr s GLN 32 Cb -0.13 -3.86 -0.02 0.00 1.00 0.00 0.00 33.01 29.99 2kvr s GLN 32 CO -0.03 -1.14 -0.20 0.42 -2.12 0.00 0.00 175.29 172.23 2kvr s ILE 33 N 3.80 2.60 -0.01 1.08 -1.09 -0.84 -0.77 121.20 125.96 2kvr s ILE 33 Ca 0.40 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 2kvr s ILE 33 Cb -0.10 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2kvr s ILE 33 CO 0.24 0.54 -0.05 0.68 -1.23 0.00 0.00 174.94 175.12 2kvr s VAL 34 N -0.72 0.45 0.14 2.92 -7.23 -1.22 -1.67 120.40 113.07 2kvr s VAL 34 Ca 0.11 -0.20 0.10 0.00 -1.81 0.00 0.00 61.98 60.19 2kvr s VAL 34 Cb -0.10 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 2kvr s VAL 34 CO 0.01 0.15 -0.23 0.00 -0.31 0.00 0.00 175.10 174.72 2kvr s ALA 35 N 0.15 2.53 -0.40 1.32 0.00 -1.26 -1.84 121.76 122.26 2kvr s ALA 35 Ca -0.01 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 50.56 2kvr s ALA 35 Cb -0.06 -0.48 0.22 0.00 0.00 0.00 0.00 23.12 22.80 2kvr s ALA 35 CO -0.00 0.54 0.49 -1.91 0.00 0.00 0.00 175.76 174.87 2kvr n GLU 36 N 0.74 0.54 -0.22 0.00 2.13 -1.22 -4.04 120.64 118.57 2kvr n GLU 36 Ca -0.16 -3.10 0.06 0.00 0.66 0.00 0.00 57.16 54.62 2kvr n GLU 36 Cb 0.53 -1.38 0.17 0.00 0.27 0.00 0.00 31.44 31.04 2kvr n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kvr n ASP 37 N 1.91 2.16 0.16 4.31 2.03 -1.13 -4.51 116.55 121.48 2kvr n ASP 37 Ca 0.23 -2.05 0.19 0.00 0.52 0.00 0.00 54.79 53.68 2kvr n ASP 37 Cb 0.52 -0.29 0.79 0.00 -0.72 0.00 0.00 41.12 41.42 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 2.19 0.00 0.00 -0.67 3.07 -1.92 -1.99 115.11 115.79 2kvr h GLN 38 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2kvr h GLN 38 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 2kvr h GLN 38 CO 0.02 0.00 -0.06 0.74 0.09 0.00 0.00 178.83 179.63 2kvr h PHE 39 N 0.00 0.00 0.00 0.06 0.04 -1.95 -2.05 116.94 113.04 2kvr h PHE 39 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2kvr h PHE 39 Cb 0.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2kvr h PHE 39 CO 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 178.31 177.77 2kvr n GLY 41 N -0.26 2.40 0.00 0.00 0.00 -0.77 -5.09 105.19 101.46 2kvr n GLY 41 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 0.00 1.61 -0.00 -1.22 -5.04 115.22 110.57 2kvr n HIS 42 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kvr n HIS 42 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kvr n HIS 42 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kvr n GLN 43 N -0.38 0.00 0.00 1.57 1.13 -1.26 -4.89 117.38 113.55 2kvr n GLN 43 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2kvr n GLN 43 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kvr n GLY 44 N 0.00 2.21 2.91 1.08 0.00 -1.26 -4.76 105.19 105.37 2kvr n GLY 44 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.71 4.36 0.00 1.61 0.01 -1.26 -5.01 114.94 112.93 2kvr s ASN 45 Ca 0.00 -2.41 0.00 0.00 -0.71 0.00 0.00 52.86 49.74 2kvr s ASN 45 Cb 0.00 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.23 2kvr s ASN 45 CO 0.00 -0.32 0.00 -0.67 -1.51 0.00 0.00 177.10 174.60 2kvr n ASP 46 N 3.89 0.24 0.00 -1.22 2.03 -1.26 -5.11 116.55 115.12 2kvr n ASP 46 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2kvr n ASP 46 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 2kvr n ASP 46 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2kvr n MET 47 N 0.00 0.00 -1.75 -0.67 0.00 -1.26 -4.98 117.12 108.46 2kvr n MET 47 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.34 2kvr n MET 47 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.24 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 -2.05 2.65 -2.03 1.12 4.19 -1.26 -4.90 117.16 114.88 2kvr n TYR 48 Ca 0.00 -2.29 -0.43 0.00 3.31 0.00 0.00 57.90 58.49 2kvr n TYR 48 Cb 0.00 -1.25 -0.03 0.00 0.49 0.00 0.00 39.34 38.55 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 -0.79 5.94 0.58 2.98 1.01 -1.26 -4.88 116.67 120.25 2kvr s ASP 49 Ca 0.54 1.25 0.35 0.00 0.71 0.00 0.00 52.55 55.40 2kvr s ASP 49 Cb 0.43 -2.53 1.76 0.00 1.01 0.00 0.00 42.92 43.59 2kvr s ASP 49 CO -0.33 -1.68 2.15 -0.33 0.21 0.00 0.00 175.17 175.19 2kvr h GLU 50 N 12.65 0.00 -0.06 8.23 5.08 -1.98 0.72 114.58 139.22 2kvr h GLU 50 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2kvr h GLU 50 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kvr h GLU 50 CO 1.04 0.04 0.00 -0.85 -1.00 0.00 0.00 179.01 178.24 2kvr n GLU 51 N -3.31 1.82 -0.10 2.33 0.00 -1.26 -4.16 120.64 115.96 2kvr n GLU 51 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 57.16 55.95 2kvr n GLU 51 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.18 2kvr n GLU 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2kvr n LYS 52 N 0.44 0.12 -1.29 3.44 3.00 0.08 -2.83 118.16 121.12 2kvr n LYS 52 Ca 0.18 -0.65 -0.32 0.00 -0.00 0.00 0.00 58.31 57.52 2kvr n LYS 52 Cb 0.40 -0.53 0.09 0.00 0.00 0.00 0.00 35.03 35.00 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 -0.06 3.06 0.84 3.15 -7.23 -0.21 -4.90 120.40 115.04 2kvr s VAL 53 Ca 0.00 0.39 -0.14 0.00 -1.81 0.00 0.00 61.98 60.42 2kvr s VAL 53 Cb 0.00 -2.82 0.21 0.00 0.56 0.00 0.00 36.38 34.34 2kvr s VAL 53 CO 0.00 -0.41 0.66 2.29 -0.31 0.00 0.00 175.10 177.32 2kvr n LYS 54 N -3.35 -2.85 -1.55 4.82 0.00 -1.26 -4.68 118.16 109.29 2kvr n LYS 54 Ca 0.10 -1.06 -0.41 0.00 -0.00 0.00 0.00 58.31 56.94 2kvr n LYS 54 Cb 0.52 -1.10 -0.04 0.00 -0.00 0.00 0.00 35.03 34.41 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kvr n TYR 55 N -4.27 1.61 -2.87 5.58 4.01 -1.26 -4.76 117.16 115.20 2kvr n TYR 55 Ca 0.09 0.06 -0.40 0.00 -0.16 0.00 0.00 57.90 57.49 2kvr n TYR 55 Cb 0.38 -2.65 -0.06 0.00 -0.31 0.00 0.00 39.34 36.71 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 9.99 4.35 -0.46 -0.72 -1.32 -0.67 -4.86 115.64 121.95 2kvr s THR 56 Ca 1.03 1.88 -0.10 0.00 -1.21 0.00 0.00 61.69 63.29 2kvr s THR 56 Cb -0.38 -4.23 0.11 0.00 -1.51 0.00 0.00 72.50 66.49 2kvr s THR 56 CO 0.34 0.46 0.33 -0.69 -2.21 0.00 0.00 174.62 172.84 2kvr s VAL 57 N -0.80 4.29 -0.33 5.08 1.01 -1.26 -1.99 120.40 126.40 2kvr s VAL 57 Ca 0.40 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 2kvr s VAL 57 Cb -0.24 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2kvr s VAL 57 CO 0.28 -0.69 0.32 -0.36 0.00 0.00 0.00 175.10 174.65 2kvr s PHE 58 N 1.40 3.22 -0.42 5.22 0.08 -1.02 -4.90 117.98 121.56 2kvr s PHE 58 Ca 0.05 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.93 2kvr s PHE 58 Cb -0.25 -2.59 0.04 0.00 -0.57 0.00 0.00 43.02 39.65 2kvr s PHE 58 CO 0.01 -0.38 0.29 -1.59 -0.10 0.00 0.00 175.22 173.44 2kvr s LYS 59 N 1.92 2.87 0.09 0.44 0.00 -1.26 -1.65 119.74 122.14 2kvr s LYS 59 Ca 0.10 -1.19 -0.02 0.00 0.00 0.00 0.00 55.97 54.86 2kvr s LYS 59 Cb -0.17 -3.91 -0.04 0.00 0.00 0.00 0.00 37.83 33.72 2kvr s LYS 59 CO 0.11 -0.83 0.03 0.14 0.00 0.00 0.00 175.35 174.80 2kvr s VAL 60 N 1.59 0.16 -0.23 1.79 -7.23 -0.54 -4.85 120.40 111.09 2kvr s VAL 60 Ca 0.03 -1.80 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 2kvr s VAL 60 Cb -0.21 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2kvr s VAL 60 CO 0.07 -0.74 1.71 -0.76 -0.31 0.00 0.00 175.10 175.07 2kvr s LEU 61 N -2.97 3.81 0.35 1.32 1.43 -1.23 -0.72 118.68 120.67 2kvr s LEU 61 Ca 0.14 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 2kvr s LEU 61 Cb 0.07 -3.53 0.65 0.00 0.03 0.00 0.00 46.19 43.42 2kvr s LEU 61 CO -0.05 -1.39 1.94 0.07 0.23 0.00 0.00 176.35 177.15 2kvr h LYS 62 N 11.45 0.62 -0.49 1.70 2.10 -1.41 -2.39 116.57 128.15 2kvr h LYS 62 Ca -0.35 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2kvr h LYS 62 Cb 1.17 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2kvr h LYS 62 CO 1.00 0.52 0.00 0.27 -2.00 0.00 0.00 179.45 179.25 2kvr n ASN 63 N -4.36 2.29 -4.84 7.07 6.94 -1.26 -1.65 115.26 119.46 2kvr n ASN 63 Ca 0.03 -2.14 -0.22 0.00 -0.02 0.00 0.00 54.58 52.24 2kvr n ASN 63 Cb 0.16 -0.34 -0.04 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.80 5.45 0.47 0.53 0.15 -0.90 -4.93 113.70 113.67 2kvr s SER 64 Ca 0.24 -0.34 -0.24 0.00 0.70 0.00 0.00 55.95 56.31 2kvr s SER 64 Cb 0.14 -1.25 -0.07 0.00 -1.71 0.00 0.00 66.02 63.13 2kvr s SER 64 CO 0.13 -0.15 1.41 -0.94 1.20 0.00 0.00 173.24 174.89 2kvr s SER 65 N -3.90 5.73 0.55 5.45 1.04 -1.26 -2.28 113.70 119.03 2kvr s SER 65 Ca 0.36 2.88 0.31 0.00 0.48 0.00 0.00 55.95 59.97 2kvr s SER 65 Cb -0.07 -2.65 1.62 0.00 0.10 0.00 0.00 66.02 65.02 2kvr s SER 65 CO 0.26 -1.27 2.12 0.25 0.98 0.00 0.00 173.24 175.58 2kvr h LEU 66 N 2.12 0.00 -1.40 2.42 7.12 -1.49 -2.89 115.31 121.19 2kvr h LEU 66 Ca -0.51 0.00 0.18 0.00 0.13 0.00 0.00 57.88 57.68 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 0.60 0.08 0.59 0.00 -0.13 0.00 0.00 178.44 179.58 2kvr h ALA 67 N 1.92 2.04 -0.30 1.25 0.00 -1.82 0.12 119.26 122.48 2kvr h ALA 67 Ca -0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2kvr h ALA 67 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kvr h ALA 67 CO 0.01 -0.32 -0.40 0.93 0.00 0.00 0.00 179.25 179.48 2kvr h GLU 68 N 0.52 0.71 -0.62 0.00 5.08 -1.88 -2.19 114.58 116.21 2kvr h GLU 68 Ca 0.47 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2kvr h GLU 68 Cb 1.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2kvr h GLU 68 CO -0.21 0.98 0.01 0.35 -1.00 0.00 0.00 179.01 179.14 2kvr h PHE 69 N 0.58 1.19 -0.03 4.33 3.57 -1.19 -2.29 116.94 123.09 2kvr h PHE 69 Ca 0.05 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 2kvr h PHE 69 Cb 0.93 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 2kvr h PHE 69 CO 0.05 1.04 0.02 0.28 -2.23 0.00 0.00 178.31 177.46 2kvr h VAL 70 N 1.00 1.11 -0.30 1.41 2.07 -1.01 -1.07 116.25 119.45 2kvr h VAL 70 Ca 0.18 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2kvr h VAL 70 Cb 0.56 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2kvr h VAL 70 CO 0.03 0.09 -0.17 0.06 0.02 0.00 0.00 177.57 177.59 2kvr h GLN 71 N -0.08 0.54 -0.34 1.57 3.07 -1.40 0.46 115.11 118.94 2kvr h GLN 71 Ca 0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 58.65 58.52 2kvr h GLN 71 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 2kvr h GLN 71 CO -0.00 0.70 0.02 0.77 0.09 0.00 0.00 178.83 180.40 2kvr h SER 72 N 0.49 0.58 0.44 0.06 0.02 -1.32 -2.50 113.55 111.32 2kvr h SER 72 Ca 0.08 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 2kvr h SER 72 Cb 0.58 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2kvr h SER 72 CO 0.04 0.73 -0.51 0.25 -1.14 0.00 0.00 176.83 176.20 2kvr h LEU 73 N 0.41 0.09 -0.29 5.07 6.46 -0.79 -2.22 115.31 124.03 2kvr h LEU 73 Ca 0.10 -0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.68 2kvr h LEU 73 Cb 0.42 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2kvr h LEU 73 CO 0.01 0.58 -0.36 -1.28 -0.62 0.00 0.00 178.44 176.78 2kvr h SER 74 N 0.06 0.81 0.50 1.25 0.87 -0.85 -2.50 113.55 113.68 2kvr h SER 74 Ca -0.00 -0.49 -0.15 0.00 -1.23 0.00 0.00 61.79 59.91 2kvr h SER 74 Cb 0.92 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2kvr h SER 74 CO 0.07 1.14 -0.68 1.56 -0.53 0.00 0.00 176.83 178.39 2kvr h GLN 75 N 0.49 0.16 0.15 2.24 1.08 -1.32 -1.57 115.11 116.34 2kvr h GLN 75 Ca 0.04 -0.12 -0.22 0.00 -1.45 0.00 0.00 58.65 56.89 2kvr h GLN 75 Cb 0.94 0.02 0.02 0.00 -0.05 0.00 0.00 27.48 28.41 2kvr h GLN 75 CO 0.08 0.77 -1.02 0.00 -0.95 0.00 0.00 178.83 177.72 2kvr h THR 76 N 0.11 1.38 0.00 -0.54 1.03 -1.40 -3.39 112.91 110.10 2kvr h THR 76 Ca -0.01 -2.53 0.00 0.00 -0.01 0.00 0.00 66.41 63.86 2kvr h THR 76 Cb 1.21 3.08 0.00 0.00 -1.07 0.00 0.00 68.15 71.36 2kvr h THR 76 CO 0.10 0.72 -1.46 0.23 -0.01 0.00 0.00 175.52 175.11 2kvr n MET 77 N -4.04 0.69 -0.95 0.00 2.81 -0.95 -4.99 117.12 109.69 2kvr n MET 77 Ca -0.17 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 2kvr n MET 77 Cb 0.87 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 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 1.42 0.43 3.66 3.03 0.00 -0.59 -4.96 105.19 108.18 2kvr n GLY 78 Ca -0.01 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 3.37 0.08 1.61 0.40 -1.22 -5.02 117.98 115.21 2kvr s PHE 79 Ca 0.00 1.17 -0.33 0.00 -0.60 0.00 0.00 56.93 57.16 2kvr s PHE 79 Cb 0.00 -3.00 -0.12 0.00 0.51 0.00 0.00 43.02 40.41 2kvr s PHE 79 CO 0.00 -0.29 1.73 -0.35 0.70 0.00 0.00 175.22 177.01 2kvr n PRO 80 N 5.49 2.35 -0.28 0.24 -0.04 -1.26 -4.17 135.00 137.32 2kvr n PRO 80 Ca 0.04 0.85 0.04 0.00 -0.04 0.00 0.00 63.50 64.39 2kvr n PRO 80 Cb 0.48 -2.68 0.17 0.00 -0.04 0.00 0.00 33.50 31.44 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 7.53 0.68 0.00 0.54 3.07 -1.90 -0.82 115.11 124.21 2kvr h GLN 81 Ca -0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.23 2kvr h GLN 81 Cb 1.25 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.65 2kvr h GLN 81 CO 0.92 0.45 -0.05 -0.44 0.09 0.00 0.00 178.83 179.80 2kvr h ASP 82 N 0.70 0.00 -0.17 0.06 5.19 -1.96 -2.38 116.42 117.86 2kvr h ASP 82 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 2kvr h ASP 82 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2kvr h ASP 82 CO -0.28 0.05 0.00 1.67 -3.12 0.00 0.00 179.24 177.56 2kvr n GLN 83 N -3.30 2.14 -1.95 3.56 7.27 -0.42 -4.97 117.38 119.71 2kvr n GLN 83 Ca -0.01 -1.62 -0.42 0.00 0.07 0.00 0.00 57.00 55.02 2kvr n GLN 83 Cb 0.21 -1.17 -0.03 0.00 2.41 0.00 0.00 30.24 31.67 2kvr n GLN 83 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2kvr s ILE 84 N -0.90 3.39 -0.01 1.69 1.01 -0.57 -4.38 121.20 121.43 2kvr s ILE 84 Ca 0.14 0.37 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 2kvr s ILE 84 Cb 0.08 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2kvr s ILE 84 CO 0.10 -0.44 0.13 -0.13 0.00 0.00 0.00 174.94 174.60 2kvr s ARG 85 N 6.09 3.25 -0.05 2.79 0.52 -0.58 -4.96 118.95 126.02 2kvr s ARG 85 Ca 0.80 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 2kvr s ARG 85 Cb -0.21 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2kvr s ARG 85 CO 0.31 0.66 -0.14 -0.51 0.02 0.00 0.00 175.30 175.64 2kvr s LEU 86 N -1.83 1.81 -0.28 2.53 1.43 -1.26 -1.08 118.68 120.01 2kvr s LEU 86 Ca 0.25 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2kvr s LEU 86 Cb -0.12 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.28 2kvr s LEU 86 CO 0.16 0.10 -0.03 0.26 0.23 0.00 0.00 176.35 177.07 2kvr s TRP 87 N 0.28 3.20 0.09 0.29 0.52 -0.76 -1.11 118.94 121.44 2kvr s TRP 87 Ca -0.08 -1.81 -0.31 0.00 0.02 0.00 0.00 56.10 53.93 2kvr s TRP 87 Cb -0.13 -2.07 -0.07 0.00 -1.15 0.00 0.00 33.47 30.05 2kvr s TRP 87 CO 0.03 -0.79 1.31 -1.25 0.02 0.00 0.00 176.95 176.27 2kvr s PRO 88 N 1.26 4.37 0.05 4.98 0.04 -1.26 -1.57 135.00 142.86 2kvr s PRO 88 Ca -0.04 1.94 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 2kvr s PRO 88 Cb -0.19 -3.29 -0.15 0.00 0.04 0.00 0.00 34.50 30.91 2kvr s PRO 88 CO -0.03 -0.36 0.70 0.00 0.04 0.00 0.00 177.00 177.35 2kvr n MET 89 N 3.96 0.00 -3.68 4.56 0.00 -1.07 -4.97 117.12 115.92 2kvr n MET 89 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.70 2kvr n MET 89 Cb 0.44 -1.05 -0.11 0.00 0.00 0.00 0.00 33.22 32.50 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 -0.25 0.33 0.01 3.17 0.00 -1.26 -5.03 119.66 116.63 2kvr s GLN 90 Ca 0.64 0.84 0.24 0.00 -0.00 0.00 0.00 55.36 57.08 2kvr s GLN 90 Cb -0.91 0.07 1.01 0.00 0.00 0.00 0.00 33.01 33.19 2kvr s GLN 90 CO 0.44 -0.20 1.76 0.00 0.00 0.00 0.00 175.29 177.29 2kvr n ALA 91 N 4.72 2.09 -1.13 2.60 0.00 -1.26 -4.92 120.51 122.61 2kvr n ALA 91 Ca -0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 2kvr n ALA 91 Cb 0.53 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 2kvr n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kvr n ARG 92 N -1.54 -1.30 -1.27 0.00 1.74 -1.26 -4.87 116.66 108.16 2kvr n ARG 92 Ca 0.06 0.55 -0.24 0.00 -0.77 0.00 0.00 57.85 57.45 2kvr n ARG 92 Cb 0.28 -4.63 -0.01 0.00 -1.02 0.00 0.00 32.46 27.08 2kvr n ARG 92 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kvr n SER 93 N -0.62 6.58 -3.69 0.55 7.64 -1.26 -4.79 113.62 118.03 2kvr n SER 93 Ca -0.04 -3.21 -0.11 0.00 1.01 0.00 0.00 58.87 56.52 2kvr n SER 93 Cb 0.39 -1.15 -0.11 0.00 -1.01 0.00 0.00 64.21 62.33 2kvr n SER 93 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2kvr s ASN 94 N 0.11 -0.31 0.10 6.43 0.01 -1.26 -5.04 114.94 114.98 2kvr s ASN 94 Ca 0.49 0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 53.38 2kvr s ASN 94 Cb 0.34 0.75 -0.19 0.00 0.41 0.00 0.00 41.25 42.57 2kvr s ASN 94 CO -0.13 -0.20 1.22 1.23 -1.51 0.00 0.00 177.10 177.71 2kvr h GLY 95 N 7.44 0.35 0.55 0.66 0.00 -2.05 -3.35 103.07 106.67 2kvr h GLY 95 Ca -0.32 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.26 2kvr h GLY 95 CO 0.27 0.66 -0.01 -0.84 0.00 0.00 0.00 176.54 176.62 2kvr h THR 96 N 0.13 1.37 -2.04 4.70 2.02 -2.00 -3.41 112.91 113.68 2kvr h THR 96 Ca -0.11 -1.10 -0.51 0.00 0.77 0.00 0.00 66.41 65.47 2kvr h THR 96 Cb 1.79 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 70.26 2kvr h THR 96 CO 0.18 0.29 1.38 -0.75 0.37 0.00 0.00 175.52 176.99 2kvr s LYS 97 N -4.36 2.67 -0.37 6.66 2.20 -1.26 -4.96 119.74 120.32 2kvr s LYS 97 Ca -0.16 0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 56.09 2kvr s LYS 97 Cb 0.02 -4.38 0.01 0.00 -1.51 0.00 0.00 37.83 31.96 2kvr s LYS 97 CO 0.68 -2.67 0.63 0.50 -0.36 0.00 0.00 175.35 174.13 2kvr s ARG 98 N 6.99 3.59 0.75 4.03 3.52 -1.26 -4.77 118.95 131.80 2kvr s ARG 98 Ca 0.73 -0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 56.16 2kvr s ARG 98 Cb -0.15 -3.84 0.05 0.00 -1.56 0.00 0.00 34.95 29.45 2kvr s ARG 98 CO 0.23 -0.78 1.11 -2.14 -0.81 0.00 0.00 175.30 172.91 2kvr s PRO 99 N 2.71 2.31 0.11 5.12 0.02 -1.26 -5.08 135.00 138.92 2kvr s PRO 99 Ca 0.24 1.29 -0.15 0.00 0.02 0.00 0.00 61.00 62.40 2kvr s PRO 99 Cb -0.14 -1.90 0.03 0.00 0.02 0.00 0.00 34.50 32.51 2kvr s PRO 99 CO 0.16 -1.62 0.36 0.00 -0.33 0.00 0.00 177.00 175.56 2kvr s ALA 100 N -2.68 -0.79 0.73 -1.55 0.00 -1.26 -5.17 121.76 111.04 2kvr s ALA 100 Ca 0.64 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 2kvr s ALA 100 Cb -0.19 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.56 2kvr s ALA 100 CO 0.51 -0.59 1.10 0.00 0.00 0.00 0.00 175.76 176.79 2kvr s MET 101 N -3.61 2.53 0.30 0.00 0.23 -1.26 -4.44 119.30 113.05 2kvr s MET 101 Ca 0.02 0.26 -0.28 0.00 -1.03 0.00 0.00 55.69 54.67 2kvr s MET 101 Cb 0.02 -2.03 -0.09 0.00 -1.53 0.00 0.00 34.83 31.20 2kvr s MET 101 CO -0.10 -1.21 0.99 -0.51 -2.03 0.00 0.00 175.02 172.16 2kvr s LEU 102 N -5.39 4.45 0.20 0.18 2.01 -0.27 -4.99 118.68 114.87 2kvr s LEU 102 Ca 0.59 1.99 -0.30 0.00 0.01 0.00 0.00 54.13 56.42 2kvr s LEU 102 Cb -0.11 -3.84 -0.08 0.00 0.01 0.00 0.00 46.19 42.17 2kvr s LEU 102 CO 0.50 -0.07 1.24 -0.62 1.01 0.00 0.00 176.35 178.40 2kvr s ASP 103 N -1.33 7.01 0.49 2.29 -1.08 -1.26 -4.60 116.67 118.20 2kvr s ASP 103 Ca 0.47 2.32 0.26 0.00 -0.52 0.00 0.00 52.55 55.09 2kvr s ASP 103 Cb -0.24 -2.61 1.26 0.00 -1.46 0.00 0.00 42.92 39.87 2kvr s ASP 103 CO 0.30 -0.43 1.98 -1.13 0.52 0.00 0.00 175.17 176.42 2kvr h ASN 104 N 5.14 0.00 -0.39 -0.34 -0.00 -1.95 0.35 115.58 118.39 2kvr h ASN 104 Ca -0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 55.79 2kvr h ASN 104 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.52 2kvr h ASN 104 CO 0.75 0.16 0.01 -0.08 -0.00 0.00 0.00 177.43 178.26 2kvr h GLU 105 N 0.00 0.68 0.27 6.67 4.57 -1.98 -3.29 114.58 121.49 2kvr h GLU 105 Ca -0.00 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2kvr h GLU 105 Cb 0.49 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2kvr h GLU 105 CO 0.02 0.77 -0.13 0.00 -1.18 0.00 0.00 179.01 178.50 2kvr h ALA 106 N 0.88 -0.36 0.00 2.92 0.00 -1.37 -3.24 119.26 118.10 2kvr h ALA 106 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kvr h ALA 106 Cb 0.46 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kvr h ALA 106 CO 0.02 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 178.34 2kvr n ASP 107 N -5.10 1.75 -0.11 0.00 5.68 -0.22 -2.30 116.55 116.26 2kvr n ASP 107 Ca -0.09 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 2kvr n ASP 107 Cb 0.25 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2kvr n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kvr n GLY 108 N 0.19 -1.34 0.01 6.12 0.00 -1.24 -3.57 105.19 105.36 2kvr n GLY 108 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 4.42 -3.52 1.61 2.85 -0.97 -4.66 115.26 114.99 2kvr n ASN 109 Ca 0.00 -0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.26 2kvr n ASN 109 Cb 0.53 0.33 -0.05 0.00 1.24 0.00 0.00 39.78 41.83 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 -2.22 0.81 -1.88 1.20 -0.00 -1.19 -4.98 118.16 109.89 2kvr n LYS 110 Ca -0.02 -2.65 -0.30 0.00 -0.00 0.00 0.00 58.31 55.33 2kvr n LYS 110 Cb 0.53 1.19 0.03 0.00 -0.00 0.00 0.00 35.03 36.78 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 -2.59 4.04 -0.90 0.58 -4.23 -1.26 -1.47 115.64 109.81 2kvr s THR 111 Ca 0.10 0.66 0.26 0.00 -1.18 0.00 0.00 61.69 61.53 2kvr s THR 111 Cb 0.01 -3.65 0.10 0.00 1.34 0.00 0.00 72.50 70.29 2kvr s THR 111 CO 0.07 -0.86 1.56 1.15 -0.54 0.00 0.00 174.62 176.00 2kvr n MET 112 N -2.89 0.09 0.23 3.99 0.00 -0.97 -3.93 117.12 113.64 2kvr n MET 112 Ca 0.06 0.04 0.09 0.00 0.00 0.00 0.00 57.70 57.89 2kvr n MET 112 Cb 0.56 -1.57 0.54 0.00 0.00 0.00 0.00 33.22 32.75 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 0.81 -0.02 3.17 6.09 -1.59 -1.82 117.51 124.14 2kvr h ILE 113 Ca 0.00 -0.92 -0.15 0.00 -1.37 0.00 0.00 64.86 62.43 2kvr h ILE 113 Cb 0.57 1.55 0.01 0.00 0.47 0.00 0.00 36.82 39.43 2kvr h ILE 113 CO 0.00 0.23 -0.56 -0.33 -3.07 0.00 0.00 178.15 174.42 2kvr h GLU 114 N 0.00 0.42 -0.30 2.19 5.08 -1.86 0.17 114.58 120.28 2kvr h GLU 114 Ca -0.00 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 57.78 2kvr h GLU 114 Cb 0.54 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2kvr h GLU 114 CO 0.03 1.08 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.62 2kvr h LEU 115 N -0.08 0.81 -0.58 1.33 3.38 -1.72 -2.63 115.31 115.82 2kvr h LEU 115 Ca -0.06 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2kvr h LEU 115 Cb 1.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2kvr h LEU 115 CO 0.11 1.13 -0.67 0.77 0.09 0.00 0.00 178.44 179.87 2kvr h SER 116 N 0.61 0.00 -4.12 -0.43 4.64 -1.39 -3.48 113.55 109.38 2kvr h SER 116 Ca 0.04 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 2kvr h SER 116 Cb 0.99 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.16 2kvr h SER 116 CO 0.09 0.67 -0.49 -0.67 -0.87 0.00 0.00 176.83 175.56 2kvr n ASP 117 N -3.64 -5.20 -1.12 4.97 2.03 -0.03 -3.41 116.55 110.15 2kvr n ASP 117 Ca -0.01 -0.32 -0.09 0.00 0.52 0.00 0.00 54.79 54.90 2kvr n ASP 117 Cb 0.68 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 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 -1.72 -3.18 -4.67 1.67 3.02 -0.76 -5.03 115.26 104.59 2kvr n ASN 118 Ca -0.04 -0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.19 2kvr n ASN 118 Cb 0.57 -2.35 -0.08 0.00 -0.61 0.00 0.00 39.78 37.31 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 -4.61 2.46 -0.26 3.52 -1.05 -1.22 -5.14 118.70 112.40 2kvr s GLU 119 Ca 0.04 -1.02 -0.22 0.00 -0.15 0.00 0.00 54.97 53.62 2kvr s GLU 119 Cb -0.02 -2.42 0.07 0.00 -0.44 0.00 0.00 34.13 31.32 2kvr s GLU 119 CO 0.05 0.48 0.67 0.54 0.95 0.00 0.00 175.26 177.95 2kvr s ASN 120 N -2.76 -0.74 0.36 0.83 6.03 -1.26 -4.43 114.94 112.97 2kvr s ASN 120 Ca 0.27 1.38 -0.26 0.00 -1.03 0.00 0.00 52.86 53.21 2kvr s ASN 120 Cb -0.10 1.37 -0.09 0.00 -3.03 0.00 0.00 41.25 39.40 2kvr s ASN 120 CO 0.19 -0.24 1.16 -2.16 -2.03 0.00 0.00 177.10 174.02 2kvr s PRO 121 N 0.60 4.24 -0.36 3.55 0.04 -1.26 -4.96 135.00 136.84 2kvr s PRO 121 Ca -0.02 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2kvr s PRO 121 Cb -0.05 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.67 2kvr s PRO 121 CO -0.03 -0.16 0.23 -0.46 0.04 0.00 0.00 177.00 176.61 2kvr s TRP 122 N -1.35 3.22 0.12 0.56 -0.00 -0.92 -4.81 118.94 115.75 2kvr s TRP 122 Ca 0.53 -0.60 -0.30 0.00 -0.00 0.00 0.00 56.10 55.73 2kvr s TRP 122 Cb -0.31 -2.47 -0.06 0.00 -0.00 0.00 0.00 33.47 30.63 2kvr s TRP 122 CO 0.40 -0.52 1.03 0.99 -0.00 0.00 0.00 176.95 178.84 2kvr s THR 123 N 1.64 4.30 -0.01 5.86 2.01 -1.26 -0.59 115.64 127.59 2kvr s THR 123 Ca 0.04 1.87 -0.10 0.00 0.31 0.00 0.00 61.69 63.82 2kvr s THR 123 Cb -0.18 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.14 2kvr s THR 123 CO 0.08 0.27 0.20 -0.63 -0.69 0.00 0.00 174.62 173.86 2kvr s ILE 124 N 0.12 0.07 -0.21 1.82 1.01 0.05 -2.59 121.20 121.48 2kvr s ILE 124 Ca 0.49 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 2kvr s ILE 124 Cb -0.26 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2kvr s ILE 124 CO 0.31 -0.33 0.34 -0.36 0.00 0.00 0.00 174.94 174.90 2kvr s PHE 125 N -1.33 3.37 0.07 3.97 0.40 -0.61 -3.39 117.98 120.46 2kvr s PHE 125 Ca -0.14 0.52 -0.29 0.00 -0.60 0.00 0.00 56.93 56.42 2kvr s PHE 125 Cb -0.07 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 2kvr s PHE 125 CO 0.03 0.02 0.93 -1.17 0.70 0.00 0.00 175.22 175.72 2kvr s LEU 126 N 1.20 4.46 0.06 -0.37 0.20 -0.77 -1.83 118.68 121.64 2kvr s LEU 126 Ca 0.16 1.69 0.06 0.00 0.69 0.00 0.00 54.13 56.73 2kvr s LEU 126 Cb -0.14 -3.51 -0.03 0.00 -0.43 0.00 0.00 46.19 42.08 2kvr s LEU 126 CO 0.07 -0.10 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.16 2kvr s GLU 127 N 0.24 1.03 0.00 1.98 2.56 -0.24 -4.71 118.70 119.56 2kvr s GLU 127 Ca 0.46 -0.93 0.16 0.00 0.00 0.00 0.00 54.97 54.66 2kvr s GLU 127 Cb -0.22 -1.12 0.13 0.00 2.00 0.00 0.00 34.13 34.91 2kvr s GLU 127 CO 0.28 0.27 1.01 2.41 -0.56 0.00 0.00 175.26 178.66