#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr n GLN 2 N 0.00 0.25 -0.00 -0.52 1.13 -1.26 -3.45 117.38 113.53 2kvr n GLN 2 Ca 0.00 0.11 0.08 0.00 -1.94 0.00 0.00 57.00 55.25 2kvr n GLN 2 Cb 0.00 -1.50 0.49 0.00 0.11 0.00 0.00 30.24 29.34 2kvr n GLN 2 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 2kvr h GLN 3 N 0.00 0.41 0.94 -1.09 3.07 -2.05 -1.32 115.11 115.06 2kvr h GLN 3 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.67 2kvr h GLN 3 Cb 0.20 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 27.67 2kvr h GLN 3 CO 0.00 0.27 -0.48 -0.07 0.09 0.00 0.00 178.83 178.64 2kvr h LEU 4 N 0.42 -1.16 -0.94 0.06 -0.00 -2.00 -1.60 115.31 110.09 2kvr h LEU 4 Ca 0.19 0.05 -0.10 0.00 -0.00 0.00 0.00 57.88 58.01 2kvr h LEU 4 Cb 0.22 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2kvr h LEU 4 CO -0.05 -0.79 -0.32 1.62 -0.00 0.00 0.00 178.44 178.90 2kvr h VAL 5 N -1.29 1.28 0.70 1.22 3.04 -1.80 -2.41 116.25 116.99 2kvr h VAL 5 Ca -0.13 -1.37 -0.03 0.00 -1.01 0.00 0.00 66.70 64.16 2kvr h VAL 5 Cb 1.00 1.49 0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2kvr h VAL 5 CO 0.19 0.42 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.76 2kvr h GLU 6 N 0.33 -0.91 -0.16 4.17 4.81 -1.19 -1.31 114.58 120.33 2kvr h GLU 6 Ca 0.04 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2kvr h GLU 6 Cb 0.73 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2kvr h GLU 6 CO 0.06 -0.60 -0.24 0.07 -0.73 0.00 0.00 179.01 177.57 2kvr h ARG 7 N -0.98 0.28 -0.53 1.92 -0.00 -1.34 -2.74 114.38 110.98 2kvr h ARG 7 Ca -0.10 -0.09 -0.05 0.00 -0.00 0.00 0.00 59.98 59.75 2kvr h ARG 7 Cb 0.73 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.66 2kvr h ARG 7 CO 0.16 0.50 0.15 1.25 -0.00 0.00 0.00 179.97 182.03 2kvr h LEU 8 N 0.25 0.79 -0.71 0.08 6.46 -1.26 -2.55 115.31 118.38 2kvr h LEU 8 Ca 0.04 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 2kvr h LEU 8 Cb 0.56 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 2kvr h LEU 8 CO 0.04 0.80 0.32 1.56 -0.62 0.00 0.00 178.44 180.54 2kvr h GLN 9 N 0.74 1.03 0.00 1.25 4.20 -1.00 -0.43 115.11 120.91 2kvr h GLN 9 Ca 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2kvr h GLN 9 Cb 0.30 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2kvr h GLN 9 CO -0.00 0.83 -0.03 1.49 -0.67 0.00 0.00 178.83 180.44 2kvr h GLU 10 N 1.00 0.00 0.00 1.46 4.81 -1.18 -2.75 114.58 117.91 2kvr h GLU 10 Ca 0.24 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2kvr h GLU 10 Cb 0.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2kvr h GLU 10 CO -0.03 0.03 -0.76 0.93 -0.73 0.00 0.00 179.01 178.46 2kvr h GLU 11 N 0.00 0.00 0.00 1.92 5.08 -1.19 -3.41 114.58 116.98 2kvr h GLU 11 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kvr h GLU 11 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2kvr h GLU 11 CO 0.00 0.69 0.00 1.57 -1.00 0.00 0.00 179.01 180.27 2kvr h LYS 12 N -1.00 0.00 0.00 2.33 2.10 -0.96 -2.98 116.57 116.06 2kvr h LYS 12 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2kvr h LYS 12 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2kvr h LYS 12 CO -0.11 0.00 0.53 0.07 -2.00 0.00 0.00 179.45 177.94 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 -0.00 -1.72 -1.39 114.38 111.34 2kvr h ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2kvr h ARG 13 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 2kvr h ARG 13 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 179.97 179.13 2kvr h ILE 14 N 0.00 0.00 0.00 0.08 -2.65 -1.86 -3.05 117.51 110.03 2kvr h ILE 14 Ca 0.00 -0.22 0.00 0.00 1.03 0.00 0.00 64.86 65.67 2kvr h ILE 14 Cb 1.06 0.99 0.00 0.00 -2.05 0.00 0.00 36.82 36.82 2kvr h ILE 14 CO 0.00 0.00 0.03 -0.33 0.03 0.00 0.00 178.15 177.88 2kvr h GLU 15 N 0.00 0.00 -2.18 0.16 5.08 -1.55 -1.59 114.58 114.49 2kvr h GLU 15 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2kvr h GLU 15 Cb 0.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2kvr h GLU 15 CO 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.85 2kvr n ALA 16 N -1.90 4.88 0.00 3.43 0.00 -1.15 -2.71 120.51 123.07 2kvr n ALA 16 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2kvr n ALA 16 Cb 0.08 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.41 2kvr n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kvr n GLN 17 N 2.44 0.00 -0.01 0.00 0.00 -1.16 -5.03 117.38 113.62 2kvr n GLN 17 Ca 0.28 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 57.11 2kvr n GLN 17 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.80 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2kvr h LYS 18 N 0.00 0.40 0.00 3.69 1.63 -1.18 -3.20 116.57 117.91 2kvr h LYS 18 Ca 0.00 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2kvr h LYS 18 Cb 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2kvr h LYS 18 CO 0.00 1.05 0.00 2.89 -3.45 0.00 0.00 179.45 179.94 2kvr n ARG 19 N -4.28 0.20 -0.08 1.90 1.85 -1.10 -2.14 116.66 113.02 2kvr n ARG 19 Ca -0.09 0.35 -0.11 0.00 -1.00 0.00 0.00 57.85 57.00 2kvr n ARG 19 Cb 0.62 -1.83 -0.04 0.00 -1.05 0.00 0.00 32.46 30.16 2kvr n ARG 19 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2kvr h LYS 20 N 0.00 0.40 -0.84 2.89 3.11 -1.76 -3.13 116.57 117.23 2kvr h LYS 20 Ca 0.00 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 57.75 2kvr h LYS 20 Cb 0.47 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2kvr h LYS 20 CO 0.00 0.48 0.00 -1.91 -2.81 0.00 0.00 179.45 175.21 2kvr n GLU 21 N -4.73 2.49 -2.13 1.90 4.07 -0.91 -4.83 120.64 116.50 2kvr n GLU 21 Ca -0.03 -1.21 -0.29 0.00 -0.06 0.00 0.00 57.16 55.57 2kvr n GLU 21 Cb 0.16 -1.79 -0.05 0.00 -0.06 0.00 0.00 31.44 29.71 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 -1.67 2.71 -0.00 5.31 3.52 -1.19 -4.84 118.95 122.79 2kvr s ARG 22 Ca 0.21 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.10 2kvr s ARG 22 Cb 0.16 -5.10 0.11 0.00 -1.56 0.00 0.00 34.95 28.55 2kvr s ARG 22 CO 0.06 -3.20 1.15 1.14 -0.81 0.00 0.00 175.30 173.65 2kvr s GLN 23 N 6.70 0.63 -0.63 5.12 -2.07 -1.26 -5.11 119.66 123.04 2kvr s GLN 23 Ca 0.66 -0.32 -0.27 0.00 -1.82 0.00 0.00 55.36 53.61 2kvr s GLN 23 Cb -0.06 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.11 2kvr s GLN 23 CO -0.02 -0.29 1.40 -1.21 -1.32 0.00 0.00 175.29 173.86 2kvr s GLU 24 N -2.71 3.20 0.00 9.60 2.02 -1.26 -4.74 118.70 124.80 2kvr s GLU 24 Ca 0.12 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.32 2kvr s GLU 24 Cb 0.02 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.08 2kvr s GLU 24 CO -0.03 -2.09 0.00 0.00 0.02 0.00 0.00 175.26 173.16 2kvr n ALA 25 N 9.80 0.00 0.36 5.21 0.00 -1.26 -5.00 120.51 129.62 2kvr n ALA 25 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2kvr n ALA 25 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2kvr n ALA 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kvr n HIS 26 N 0.00 0.00 0.21 0.00 1.44 -1.26 -3.24 115.22 112.38 2kvr n HIS 26 Ca 0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.79 2kvr n HIS 26 Cb 0.00 -0.01 0.25 0.00 0.12 0.00 0.00 29.99 30.34 2kvr n HIS 26 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kvr n LEU 27 N -0.05 3.04 -0.83 2.39 7.99 -1.26 -4.64 117.00 123.63 2kvr n LEU 27 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 56.01 54.48 2kvr n LEU 27 Cb 0.03 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 2kvr n LEU 27 CO 0.00 0.71 0.16 -1.22 -1.51 0.00 0.00 177.39 175.54 2kvr n TYR 28 N 1.05 0.00 -1.47 -1.77 4.02 -1.20 -1.55 117.16 116.24 2kvr n TYR 28 Ca 0.18 -0.13 -0.52 0.00 -0.01 0.00 0.00 57.90 57.42 2kvr n TYR 28 Cb 0.50 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.64 0.18 -3.04 -0.72 0.00 -0.21 -2.59 117.12 111.37 2kvr n MET 29 Ca 0.00 0.06 -0.40 0.00 -0.00 0.00 0.00 57.70 57.37 2kvr n MET 29 Cb 0.16 -1.33 -0.05 0.00 0.00 0.00 0.00 33.22 32.00 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 -0.54 4.45 -0.14 2.12 1.11 -1.26 -1.54 119.66 123.86 2kvr s GLN 30 Ca 0.76 0.98 0.01 0.00 0.01 0.00 0.00 55.36 57.12 2kvr s GLN 30 Cb -1.05 -3.35 0.02 0.00 -1.01 0.00 0.00 33.01 27.62 2kvr s GLN 30 CO 0.56 0.32 -0.16 0.54 0.01 0.00 0.00 175.29 176.56 2kvr s VAL 31 N -0.15 1.68 -0.59 1.09 0.11 -0.23 -2.28 120.40 120.03 2kvr s VAL 31 Ca 0.36 -0.73 -0.24 0.00 -2.93 0.00 0.00 61.98 58.45 2kvr s VAL 31 Cb -0.20 -1.53 0.05 0.00 -1.53 0.00 0.00 36.38 33.16 2kvr s VAL 31 CO 0.22 0.48 0.98 -1.10 -3.33 0.00 0.00 175.10 172.34 2kvr s GLN 32 N 1.17 3.27 -0.12 1.54 -0.21 -0.18 -1.89 119.66 123.24 2kvr s GLN 32 Ca -0.01 -0.40 -0.06 0.00 0.02 0.00 0.00 55.36 54.91 2kvr s GLN 32 Cb -0.14 -4.11 -0.04 0.00 1.00 0.00 0.00 33.01 29.72 2kvr s GLN 32 CO -0.06 -1.63 0.09 0.42 -2.12 0.00 0.00 175.29 171.99 2kvr s ILE 33 N 4.14 5.09 -0.02 1.08 -1.09 -0.61 -1.23 121.20 128.56 2kvr s ILE 33 Ca 0.29 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 2kvr s ILE 33 Cb -0.13 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 2kvr s ILE 33 CO 0.17 0.59 -0.13 0.68 -1.23 0.00 0.00 174.94 175.01 2kvr s VAL 34 N -0.78 1.08 -0.29 2.92 -7.23 -1.17 -1.19 120.40 113.74 2kvr s VAL 34 Ca 0.13 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 2kvr s VAL 34 Cb -0.12 -0.92 0.19 0.00 0.56 0.00 0.00 36.38 36.09 2kvr s VAL 34 CO 0.03 0.31 0.57 0.00 -0.31 0.00 0.00 175.10 175.70 2kvr s ALA 35 N -0.14 -2.15 -1.00 1.32 0.00 -1.26 -2.16 121.76 116.38 2kvr s ALA 35 Ca 0.02 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 2kvr s ALA 35 Cb -0.07 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 2kvr s ALA 35 CO 0.00 -1.53 1.72 -2.00 0.00 0.00 0.00 175.76 173.95 2kvr s GLU 36 N 2.80 3.09 -0.00 0.00 2.12 -1.26 -4.69 118.70 120.77 2kvr s GLU 36 Ca 0.16 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.72 2kvr s GLU 36 Cb -0.13 -5.23 0.13 0.00 0.26 0.00 0.00 34.13 29.16 2kvr s GLU 36 CO -0.23 -2.84 1.09 -0.25 -0.54 0.00 0.00 175.26 172.49 2kvr n ASP 37 N 11.43 0.85 -0.09 -1.70 9.92 -0.28 -4.31 116.55 132.38 2kvr n ASP 37 Ca 0.38 -2.01 -0.01 0.00 -0.53 0.00 0.00 54.79 52.61 2kvr n ASP 37 Cb 0.49 -0.12 0.24 0.00 -0.64 0.00 0.00 41.12 41.09 2kvr n ASP 37 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2kvr h GLN 38 N 0.85 0.73 0.03 -1.24 4.15 -1.85 0.24 115.11 118.01 2kvr h GLN 38 Ca 0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 2kvr h GLN 38 Cb 0.23 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.81 2kvr h GLN 38 CO 0.01 0.65 -0.25 0.74 -1.93 0.00 0.00 178.83 178.04 2kvr h PHE 39 N 0.71 0.19 -0.26 3.99 0.04 -1.94 -3.36 116.94 116.31 2kvr h PHE 39 Ca 0.16 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 2kvr h PHE 39 Cb 0.25 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2kvr h PHE 39 CO 0.01 1.04 -0.34 0.00 -0.60 0.00 0.00 178.31 178.42 2kvr n GLY 41 N -0.14 2.31 2.63 0.00 0.00 0.82 -5.13 105.19 105.68 2kvr n GLY 41 Ca -0.01 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 2kvr n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kvr s HIS 42 N 0.77 0.02 0.29 1.61 0.09 -1.26 -4.75 115.29 112.06 2kvr s HIS 42 Ca 0.00 -0.67 -0.28 0.00 -0.00 0.00 0.00 55.06 54.11 2kvr s HIS 42 Cb 0.00 -0.71 -0.09 0.00 -0.00 0.00 0.00 32.58 31.78 2kvr s HIS 42 CO 0.00 -0.87 1.01 1.14 -0.00 0.00 0.00 174.74 176.01 2kvr s GLN 43 N 2.09 4.65 -0.07 1.40 1.03 -1.26 -5.00 119.66 122.49 2kvr s GLN 43 Ca 0.10 1.57 0.02 0.00 0.04 0.00 0.00 55.36 57.09 2kvr s GLN 43 Cb -0.16 -3.07 -0.25 0.00 0.03 0.00 0.00 33.01 29.56 2kvr s GLN 43 CO -0.31 0.29 0.56 0.78 -2.54 0.00 0.00 175.29 174.07 2kvr h GLY 44 N 3.66 0.17 -7.46 2.60 0.00 -2.01 -3.45 103.07 96.58 2kvr h GLY 44 Ca -0.46 -0.44 -0.68 0.00 0.00 0.00 0.00 47.33 45.75 2kvr h GLY 44 CO 0.66 0.39 -0.66 -1.31 0.00 0.00 0.00 176.54 175.62 2kvr s ASN 45 N -6.63 4.97 -1.26 0.19 -0.87 -1.26 -5.02 114.94 105.05 2kvr s ASN 45 Ca -0.13 -0.94 -0.19 0.00 -1.57 0.00 0.00 52.86 50.03 2kvr s ASN 45 Cb 0.07 -1.81 0.05 0.00 -0.02 0.00 0.00 41.25 39.54 2kvr s ASN 45 CO 0.80 -0.22 1.74 -1.81 -2.57 0.00 0.00 177.10 175.04 2kvr s ASP 46 N 1.40 6.59 0.18 -1.22 1.11 -1.26 -3.46 116.67 120.01 2kvr s ASP 46 Ca -0.00 -2.27 0.00 0.00 0.18 0.00 0.00 52.55 50.45 2kvr s ASP 46 Cb -0.18 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.23 2kvr s ASP 46 CO 0.01 -1.43 0.00 0.80 1.18 0.00 0.00 175.17 175.72 2kvr n MET 47 N 8.42 0.00 -3.84 8.23 1.56 -1.26 -4.99 117.12 125.25 2kvr n MET 47 Ca 0.47 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.62 2kvr n MET 47 Cb 0.46 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.72 2kvr n MET 47 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 2kvr n TYR 48 N -3.08 3.28 -2.67 1.12 9.36 -1.22 -5.04 117.16 118.90 2kvr n TYR 48 Ca 0.00 -4.29 -0.42 0.00 3.32 0.00 0.00 57.90 56.51 2kvr n TYR 48 Cb 0.00 -0.61 -0.03 0.00 -0.63 0.00 0.00 39.34 38.07 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 -1.59 6.36 0.52 2.98 1.11 -1.24 -4.75 116.67 120.06 2kvr s ASP 49 Ca 0.27 -1.16 0.35 0.00 0.18 0.00 0.00 52.55 52.18 2kvr s ASP 49 Cb -0.02 -2.51 1.71 0.00 1.07 0.00 0.00 42.92 43.17 2kvr s ASP 49 CO -0.15 -1.53 2.04 -0.33 1.18 0.00 0.00 175.17 176.38 2kvr h GLU 50 N 9.68 0.00 0.00 8.23 5.08 -1.96 0.17 114.58 135.77 2kvr h GLU 50 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2kvr h GLU 50 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2kvr h GLU 50 CO 1.29 0.00 -0.76 0.93 -1.00 0.00 0.00 179.01 179.47 2kvr h GLU 51 N 0.00 0.00 0.00 2.33 5.08 -1.91 -3.36 114.58 116.72 2kvr h GLU 51 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2kvr h GLU 51 Cb 0.20 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 2kvr h GLU 51 CO 0.00 0.00 -0.54 1.17 -1.00 0.00 0.00 179.01 178.64 2kvr n LYS 52 N -2.27 0.68 -1.13 2.33 3.00 -0.18 -1.13 118.16 119.47 2kvr n LYS 52 Ca 0.02 -2.21 -0.29 0.00 -0.00 0.00 0.00 58.31 55.84 2kvr n LYS 52 Cb 0.47 -0.86 0.19 0.00 0.00 0.00 0.00 35.03 34.84 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 -1.44 1.94 0.00 3.15 -7.23 0.42 -4.89 120.40 112.34 2kvr s VAL 53 Ca 0.26 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2kvr s VAL 53 Cb 0.26 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2kvr s VAL 53 CO -0.06 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.02 2kvr n LYS 54 N -4.33 -0.17 -1.53 4.82 4.01 -1.26 -4.84 118.16 114.86 2kvr n LYS 54 Ca 0.06 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.48 2kvr n LYS 54 Cb 0.58 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.04 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 -1.80 1.29 -2.45 2.13 4.01 -1.26 -4.88 117.16 114.20 2kvr n TYR 55 Ca 0.00 0.17 -0.43 0.00 -0.16 0.00 0.00 57.90 57.48 2kvr n TYR 55 Cb 0.00 -2.58 -0.02 0.00 -0.31 0.00 0.00 39.34 36.43 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 11.01 4.11 -0.50 -0.72 -1.32 -0.34 -4.80 115.64 123.08 2kvr s THR 56 Ca 1.07 1.20 -0.16 0.00 -1.21 0.00 0.00 61.69 62.59 2kvr s THR 56 Cb -0.46 -4.27 0.09 0.00 -1.51 0.00 0.00 72.50 66.34 2kvr s THR 56 CO 0.33 -0.65 0.47 0.54 -2.21 0.00 0.00 174.62 173.10 2kvr s VAL 57 N 4.66 5.16 -0.15 5.08 0.11 -1.26 -1.57 120.40 132.43 2kvr s VAL 57 Ca 0.55 -1.09 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 2kvr s VAL 57 Cb -0.14 -4.22 -0.05 0.00 -1.53 0.00 0.00 36.38 30.44 2kvr s VAL 57 CO 0.27 -0.71 0.29 -0.36 -3.33 0.00 0.00 175.10 171.25 2kvr s PHE 58 N 1.83 3.48 -0.47 1.54 0.08 -0.79 -4.87 117.98 118.77 2kvr s PHE 58 Ca 0.06 0.61 -0.16 0.00 0.12 0.00 0.00 56.93 57.56 2kvr s PHE 58 Cb -0.25 -2.31 0.07 0.00 -0.57 0.00 0.00 43.02 39.95 2kvr s PHE 58 CO 0.06 0.29 0.42 -1.59 -0.10 0.00 0.00 175.22 174.30 2kvr s LYS 59 N 0.29 3.00 0.08 0.44 0.00 -1.26 -1.06 119.74 121.22 2kvr s LYS 59 Ca 0.17 -1.25 0.03 0.00 0.00 0.00 0.00 55.97 54.91 2kvr s LYS 59 Cb -0.13 -4.11 -0.03 0.00 0.00 0.00 0.00 37.83 33.55 2kvr s LYS 59 CO 0.04 -1.02 -0.09 0.14 0.00 0.00 0.00 175.35 174.42 2kvr s VAL 60 N 1.78 0.77 -0.47 1.79 -7.23 -0.59 -4.86 120.40 111.59 2kvr s VAL 60 Ca 0.06 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.41 2kvr s VAL 60 Cb -0.23 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2kvr s VAL 60 CO 0.08 -0.58 1.92 -0.76 -0.31 0.00 0.00 175.10 175.45 2kvr s LEU 61 N -2.33 3.40 0.45 1.32 1.43 -1.23 -1.04 118.68 120.68 2kvr s LEU 61 Ca 0.02 0.89 0.12 0.00 -1.03 0.00 0.00 54.13 54.13 2kvr s LEU 61 Cb -0.03 -2.96 1.03 0.00 0.03 0.00 0.00 46.19 44.26 2kvr s LEU 61 CO -0.01 -2.16 2.07 0.07 0.23 0.00 0.00 176.35 176.55 2kvr h LYS 62 N 14.76 0.33 -0.02 1.70 2.10 -1.60 -2.03 116.57 131.82 2kvr h LYS 62 Ca -0.29 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2kvr h LYS 62 Cb 1.18 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2kvr h LYS 62 CO 1.12 0.22 0.00 0.27 -2.00 0.00 0.00 179.45 179.07 2kvr n ASN 63 N -4.49 0.91 -4.94 7.07 6.94 -1.26 -0.54 115.26 118.94 2kvr n ASN 63 Ca 0.03 -1.32 -0.24 0.00 -0.02 0.00 0.00 54.58 53.02 2kvr n ASN 63 Cb 0.14 -0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 -1.97 6.13 0.73 0.53 0.15 -0.76 -4.87 113.70 113.64 2kvr s SER 64 Ca 0.41 0.48 -0.14 0.00 0.70 0.00 0.00 55.95 57.40 2kvr s SER 64 Cb 0.21 -1.90 0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2kvr s SER 64 CO 0.34 -0.49 1.17 -0.94 1.20 0.00 0.00 173.24 174.52 2kvr s SER 65 N -4.11 4.32 0.35 5.45 1.04 -1.26 -1.93 113.70 117.56 2kvr s SER 65 Ca 0.44 2.20 0.16 0.00 0.48 0.00 0.00 55.95 59.24 2kvr s SER 65 Cb -0.10 -2.57 0.60 0.00 0.10 0.00 0.00 66.02 64.05 2kvr s SER 65 CO 0.38 -2.17 1.71 0.25 0.98 0.00 0.00 173.24 174.39 2kvr h LEU 66 N -0.44 0.00 -1.53 2.42 7.12 -1.01 -2.69 115.31 119.18 2kvr h LEU 66 Ca -0.47 0.00 0.09 0.00 0.13 0.00 0.00 57.88 57.63 2kvr h LEU 66 Cb 1.27 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.36 2kvr h LEU 66 CO 0.50 0.44 0.43 0.00 -0.13 0.00 0.00 178.44 179.68 2kvr h ALA 67 N 1.56 1.89 -0.39 1.25 0.00 -1.72 -0.44 119.26 121.42 2kvr h ALA 67 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2kvr h ALA 67 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2kvr h ALA 67 CO 0.06 -0.02 -0.06 0.93 0.00 0.00 0.00 179.25 180.16 2kvr h GLU 68 N 0.54 0.72 -0.74 0.00 4.39 -1.80 -1.86 114.58 115.83 2kvr h GLU 68 Ca 0.29 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kvr h GLU 68 Cb 0.44 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 2kvr h GLU 68 CO -0.09 0.84 0.47 0.35 -1.16 0.00 0.00 179.01 179.42 2kvr h PHE 69 N 0.53 0.95 0.56 4.33 3.57 -1.38 -2.43 116.94 123.07 2kvr h PHE 69 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2kvr h PHE 69 Cb 0.56 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 38.99 2kvr h PHE 69 CO 0.05 0.62 -0.27 0.28 -2.23 0.00 0.00 178.31 176.76 2kvr h VAL 70 N 1.00 0.40 0.00 1.41 2.07 -1.01 -2.69 116.25 117.43 2kvr h VAL 70 Ca 0.27 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2kvr h VAL 70 Cb -0.07 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2kvr h VAL 70 CO -0.05 0.03 -0.16 0.06 0.02 0.00 0.00 177.57 177.46 2kvr h GLN 71 N -0.89 0.00 -0.36 1.57 3.07 -1.35 0.70 115.11 117.86 2kvr h GLN 71 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.64 2kvr h GLN 71 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.17 2kvr h GLN 71 CO 0.13 0.16 0.12 0.77 0.09 0.00 0.00 178.83 180.10 2kvr h SER 72 N 0.00 0.51 0.50 0.06 0.02 -1.39 -1.50 113.55 111.76 2kvr h SER 72 Ca -0.00 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 2kvr h SER 72 Cb 0.35 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2kvr h SER 72 CO 0.02 0.57 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.95 2kvr h LEU 73 N 0.43 0.00 -0.63 5.07 3.38 -0.85 -1.70 115.31 121.01 2kvr h LEU 73 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2kvr h LEU 73 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2kvr h LEU 73 CO -0.01 0.26 -0.56 -1.28 0.09 0.00 0.00 178.44 176.95 2kvr h SER 74 N 0.00 0.42 0.04 -0.43 0.87 -0.56 -1.54 113.55 112.34 2kvr h SER 74 Ca -0.00 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2kvr h SER 74 Cb 0.58 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kvr h SER 74 CO 0.03 0.89 -0.02 1.56 -0.53 0.00 0.00 176.83 178.76 2kvr h GLN 75 N 0.29 -0.05 -0.00 2.24 1.08 -0.99 -2.86 115.11 114.81 2kvr h GLN 75 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 2kvr h GLN 75 Cb 1.06 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.52 2kvr h GLN 75 CO 0.09 0.58 -1.03 0.00 -0.95 0.00 0.00 178.83 177.52 2kvr h THR 76 N -0.75 1.29 0.00 -0.54 1.03 -1.37 -3.32 112.91 109.25 2kvr h THR 76 Ca -0.01 -2.27 -0.03 0.00 -0.01 0.00 0.00 66.41 64.09 2kvr h THR 76 Cb 0.65 2.38 -0.01 0.00 -1.07 0.00 0.00 68.15 70.10 2kvr h THR 76 CO 0.01 0.70 -1.55 0.23 -0.01 0.00 0.00 175.52 174.89 2kvr n MET 77 N -3.84 0.64 -0.89 0.00 2.81 -0.58 -4.98 117.12 110.27 2kvr n MET 77 Ca -0.10 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2kvr n MET 77 Cb 0.88 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 1.26 0.56 3.75 3.03 0.00 -1.08 -5.05 105.19 107.66 2kvr n GLY 78 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.03 3.82 0.10 1.61 0.40 -1.24 -5.01 117.98 115.63 2kvr s PHE 79 Ca 0.00 1.81 -0.31 0.00 -0.60 0.00 0.00 56.93 57.83 2kvr s PHE 79 Cb 0.00 -3.10 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 2kvr s PHE 79 CO 0.00 0.06 1.68 -1.25 0.70 0.00 0.00 175.22 176.41 2kvr s PRO 80 N -0.86 4.18 0.54 0.24 0.04 -1.26 -4.25 135.00 133.63 2kvr s PRO 80 Ca 0.44 2.41 0.24 0.00 0.04 0.00 0.00 61.00 64.12 2kvr s PRO 80 Cb -0.27 -3.49 1.49 0.00 0.04 0.00 0.00 34.50 32.27 2kvr s PRO 80 CO 0.34 -0.74 2.16 -0.56 0.04 0.00 0.00 177.00 178.24 2kvr h GLN 81 N 8.04 0.00 -0.03 4.56 3.07 -1.92 -1.25 115.11 127.58 2kvr h GLN 81 Ca -0.43 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.20 2kvr h GLN 81 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 2kvr h GLN 81 CO 0.93 0.05 -0.50 0.38 0.09 0.00 0.00 178.83 179.78 2kvr h ASP 82 N 0.00 0.08 0.89 0.06 2.03 -1.98 -3.14 116.42 114.35 2kvr h ASP 82 Ca -0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2kvr h ASP 82 Cb 0.11 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2kvr h ASP 82 CO 0.01 0.57 -0.66 1.56 -1.03 0.00 0.00 179.24 179.68 2kvr h GLN 83 N 0.06 0.00 -5.56 4.15 4.20 -1.58 -3.46 115.11 112.92 2kvr h GLN 83 Ca -0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 2kvr h GLN 83 Cb 0.91 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.69 2kvr h GLN 83 CO 0.07 0.00 1.45 -0.89 -0.67 0.00 0.00 178.83 178.79 2kvr n ILE 84 N -2.18 -0.08 -3.58 2.54 5.41 -1.09 -4.33 119.36 116.04 2kvr n ILE 84 Ca 0.03 -0.75 -0.36 0.00 1.00 0.00 0.00 62.75 62.67 2kvr n ILE 84 Cb 0.45 -2.65 -0.08 0.00 -0.71 0.00 0.00 39.64 36.65 2kvr n ILE 84 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2kvr s ARG 85 N 8.39 4.19 -0.03 0.38 0.52 -0.18 -4.98 118.95 127.25 2kvr s ARG 85 Ca 0.99 -0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 56.08 2kvr s ARG 85 Cb -0.20 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 2kvr s ARG 85 CO 0.25 0.18 0.27 -0.51 0.02 0.00 0.00 175.30 175.50 2kvr s LEU 86 N 0.69 4.40 -0.19 2.53 1.02 -1.26 -1.06 118.68 124.81 2kvr s LEU 86 Ca 0.13 0.63 -0.02 0.00 0.02 0.00 0.00 54.13 54.89 2kvr s LEU 86 Cb -0.13 -2.49 0.06 0.00 0.02 0.00 0.00 46.19 43.65 2kvr s LEU 86 CO 0.03 0.31 0.01 0.26 0.02 0.00 0.00 176.35 176.98 2kvr s TRP 87 N -1.18 1.24 0.60 0.29 0.52 -0.84 -1.54 118.94 118.04 2kvr s TRP 87 Ca 0.23 -0.93 -0.16 0.00 0.02 0.00 0.00 56.10 55.26 2kvr s TRP 87 Cb -0.14 -1.11 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 2kvr s TRP 87 CO 0.12 -0.61 1.09 -1.25 0.02 0.00 0.00 176.95 176.32 2kvr s PRO 88 N 1.79 3.15 -0.77 4.98 0.04 -1.26 -1.14 135.00 141.78 2kvr s PRO 88 Ca -0.01 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 2kvr s PRO 88 Cb -0.17 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 2kvr s PRO 88 CO -0.07 -0.97 2.37 0.00 0.04 0.00 0.00 177.00 178.37 2kvr s MET 89 N -3.91 1.73 -0.55 4.56 0.23 -1.06 -4.87 119.30 115.44 2kvr s MET 89 Ca 0.67 0.52 -0.06 0.00 -1.03 0.00 0.00 55.69 55.78 2kvr s MET 89 Cb -0.19 -4.78 0.14 0.00 -1.53 0.00 0.00 34.83 28.47 2kvr s MET 89 CO 0.36 -4.23 0.40 -1.14 -2.03 0.00 0.00 175.02 168.38 2kvr s GLN 90 N 8.66 2.55 -1.03 3.16 0.74 -1.26 -5.03 119.66 127.45 2kvr s GLN 90 Ca 0.91 -2.12 -0.24 0.00 0.05 0.00 0.00 55.36 53.96 2kvr s GLN 90 Cb -0.13 -3.86 -0.10 0.00 1.10 0.00 0.00 33.01 30.02 2kvr s GLN 90 CO 0.09 -1.18 2.03 0.00 -0.55 0.00 0.00 175.29 175.68 2kvr s ALA 91 N 0.70 1.39 -0.64 1.58 0.00 -1.26 -4.88 121.76 118.64 2kvr s ALA 91 Ca 0.11 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 2kvr s ALA 91 Cb -0.22 -4.63 -0.10 0.00 0.00 0.00 0.00 23.12 18.17 2kvr s ALA 91 CO -0.03 -5.47 2.39 -0.98 0.00 0.00 0.00 175.76 171.66 2kvr s ARG 92 N 7.28 1.87 0.29 0.00 1.04 -1.26 -4.94 118.95 123.23 2kvr s ARG 92 Ca 0.74 0.92 -0.14 0.00 -1.04 0.00 0.00 55.73 56.21 2kvr s ARG 92 Cb -0.05 -4.69 -0.08 0.00 -2.04 0.00 0.00 34.95 28.09 2kvr s ARG 92 CO 0.09 -3.84 0.68 -1.54 -0.04 0.00 0.00 175.30 170.65 2kvr s SER 93 N 11.42 6.75 -0.28 -2.89 1.04 -1.26 -5.01 113.70 123.46 2kvr s SER 93 Ca 0.94 1.19 -0.28 0.00 0.48 0.00 0.00 55.95 58.27 2kvr s SER 93 Cb -0.15 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2kvr s SER 93 CO 0.17 -0.15 2.04 0.21 0.98 0.00 0.00 173.24 176.49 2kvr s ASN 94 N -2.25 5.59 0.00 7.02 3.84 -1.26 -3.35 114.94 124.53 2kvr s ASN 94 Ca 0.51 1.58 0.00 0.00 0.21 0.00 0.00 52.86 55.16 2kvr s ASN 94 Cb -0.11 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2kvr s ASN 94 CO 0.19 -1.91 0.00 0.61 -2.79 0.00 0.00 177.10 173.20 2kvr n GLY 95 N 5.63 1.57 3.50 1.21 0.00 -1.26 -5.13 105.19 110.72 2kvr n GLY 95 Ca 0.27 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2kvr n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kvr s THR 96 N 0.00 0.00 -0.02 2.61 -1.32 -1.21 -5.19 115.64 110.51 2kvr s THR 96 Ca 0.00 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2kvr s THR 96 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2kvr s THR 96 CO 0.00 0.00 0.98 -1.59 -2.21 0.00 0.00 174.62 171.80 2kvr s LYS 97 N -3.02 0.76 -0.51 7.08 -2.85 -1.26 -4.28 119.74 115.66 2kvr s LYS 97 Ca 0.04 -0.32 0.07 0.00 -1.00 0.00 0.00 55.97 54.76 2kvr s LYS 97 Cb -0.01 0.32 0.19 0.00 -2.06 0.00 0.00 37.83 36.27 2kvr s LYS 97 CO -0.08 -0.34 0.69 -2.13 0.10 0.00 0.00 175.35 173.60 2kvr n ARG 98 N -0.26 0.51 -2.88 1.78 0.00 -1.26 -5.16 116.66 109.39 2kvr n ARG 98 Ca -0.07 -2.14 -0.40 0.00 -0.00 0.00 0.00 57.85 55.24 2kvr n ARG 98 Cb 0.61 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.52 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kvr s PRO 99 N 0.79 4.68 0.02 -0.14 0.04 -1.26 -5.08 135.00 134.05 2kvr s PRO 99 Ca 0.30 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 2kvr s PRO 99 Cb 0.01 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2kvr s PRO 99 CO -0.07 0.50 0.26 0.00 0.04 0.00 0.00 177.00 177.73 2kvr s ALA 100 N -0.96 -0.61 0.57 8.56 0.00 -1.26 -5.16 121.76 122.90 2kvr s ALA 100 Ca 0.39 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 2kvr s ALA 100 Cb -0.24 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2kvr s ALA 100 CO 0.28 -0.33 1.07 0.00 0.00 0.00 0.00 175.76 176.79 2kvr s MET 101 N -2.00 3.37 0.53 0.00 0.23 -1.26 -4.60 119.30 115.57 2kvr s MET 101 Ca -0.09 1.34 -0.21 0.00 -1.03 0.00 0.00 55.69 55.70 2kvr s MET 101 Cb -0.03 -2.03 -0.05 0.00 -1.53 0.00 0.00 34.83 31.18 2kvr s MET 101 CO -0.00 -0.79 1.23 -0.51 -2.03 0.00 0.00 175.02 172.92 2kvr s LEU 102 N -4.19 3.84 -0.31 0.18 2.01 -0.59 -4.92 118.68 114.71 2kvr s LEU 102 Ca 0.66 2.45 -0.28 0.00 0.01 0.00 0.00 54.13 56.98 2kvr s LEU 102 Cb -0.18 -4.39 -0.04 0.00 0.01 0.00 0.00 46.19 41.59 2kvr s LEU 102 CO 0.32 -1.34 2.09 -1.81 1.01 0.00 0.00 176.35 176.62 2kvr s ASP 103 N -1.35 5.46 0.49 2.29 1.11 -1.26 -4.75 116.67 118.66 2kvr s ASP 103 Ca 0.71 1.53 0.22 0.00 0.18 0.00 0.00 52.55 55.19 2kvr s ASP 103 Cb -0.32 -2.52 1.26 0.00 1.07 0.00 0.00 42.92 42.41 2kvr s ASP 103 CO 0.37 -2.01 1.96 -1.13 1.18 0.00 0.00 175.17 175.54 2kvr h ASN 104 N 14.92 0.16 0.09 0.27 -0.73 -1.91 0.40 115.58 128.77 2kvr h ASN 104 Ca -0.36 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 57.82 2kvr h ASN 104 Cb 1.22 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.78 2kvr h ASN 104 CO 1.02 0.08 -0.04 1.05 -0.37 0.00 0.00 177.43 179.17 2kvr h GLU 105 N 0.17 -0.11 0.80 6.67 9.09 -1.95 -2.78 114.58 126.47 2kvr h GLU 105 Ca 0.31 0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.69 2kvr h GLU 105 Cb 0.98 0.03 0.01 0.00 -1.65 0.00 0.00 28.75 28.12 2kvr h GLU 105 CO -0.05 0.05 -0.39 0.00 0.05 0.00 0.00 179.01 178.68 2kvr h ALA 106 N -0.88 -1.21 -0.39 1.06 0.00 -1.85 -2.93 119.26 113.06 2kvr h ALA 106 Ca -0.01 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 2kvr h ALA 106 Cb 0.21 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 2kvr h ALA 106 CO 0.02 -1.13 0.32 -0.25 0.00 0.00 0.00 179.25 178.21 2kvr n ASP 107 N -5.09 5.36 0.00 0.00 8.00 0.14 -2.25 116.55 122.71 2kvr n ASP 107 Ca -0.13 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.51 2kvr n ASP 107 Cb 0.43 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 0.33 0.83 0.06 0.44 0.00 -1.05 -4.68 105.19 101.12 2kvr n GLY 108 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 2kvr n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kvr n ASN 109 N -0.00 2.61 -4.70 1.61 3.02 -0.95 -2.35 115.26 114.49 2kvr n ASN 109 Ca 0.00 -0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.29 2kvr n ASN 109 Cb 0.00 0.33 0.11 0.00 -0.61 0.00 0.00 39.78 39.61 2kvr n ASN 109 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2kvr s LYS 110 N -2.27 1.63 0.42 3.52 0.00 -1.07 -4.57 119.74 117.41 2kvr s LYS 110 Ca -0.11 -1.33 -0.24 0.00 0.00 0.00 0.00 55.97 54.29 2kvr s LYS 110 Cb 0.04 -2.38 -0.08 0.00 0.00 0.00 0.00 37.83 35.41 2kvr s LYS 110 CO 0.39 -1.47 1.13 0.95 0.00 0.00 0.00 175.35 176.34 2kvr s THR 111 N -3.11 3.32 -1.99 3.79 -4.23 -1.26 -0.50 115.64 111.66 2kvr s THR 111 Ca 0.67 1.05 0.30 0.00 -1.18 0.00 0.00 61.69 62.53 2kvr s THR 111 Cb -0.04 -3.56 0.84 0.00 1.34 0.00 0.00 72.50 71.08 2kvr s THR 111 CO 0.44 0.04 2.11 1.15 -0.54 0.00 0.00 174.62 177.82 2kvr n MET 112 N -0.12 0.92 0.15 3.99 0.00 -0.81 -2.91 117.12 118.33 2kvr n MET 112 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.76 2kvr n MET 112 Cb 0.48 -1.50 0.22 0.00 0.00 0.00 0.00 33.22 32.42 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 1.27 0.00 3.17 6.09 -1.09 -2.06 117.51 124.90 2kvr h ILE 113 Ca 0.00 -1.92 -0.08 0.00 -1.37 0.00 0.00 64.86 61.49 2kvr h ILE 113 Cb 0.01 2.07 -0.01 0.00 0.47 0.00 0.00 36.82 39.35 2kvr h ILE 113 CO 0.00 0.53 -0.39 -0.33 -3.07 0.00 0.00 178.15 174.89 2kvr h GLU 114 N 0.00 0.00 0.10 2.19 5.08 -1.82 0.41 114.58 120.54 2kvr h GLU 114 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2kvr h GLU 114 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2kvr h GLU 114 CO 0.07 0.39 -1.82 -0.07 -1.00 0.00 0.00 179.01 176.58 2kvr h LEU 115 N 0.00 0.33 -0.46 1.33 3.38 -1.73 -3.38 115.31 114.78 2kvr h LEU 115 Ca -0.00 -0.86 -0.17 0.00 0.09 0.00 0.00 57.88 56.94 2kvr h LEU 115 Cb 0.83 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2kvr h LEU 115 CO 0.05 1.78 -0.76 0.77 0.09 0.00 0.00 178.44 180.37 2kvr h SER 116 N -0.17 0.17 -5.59 -0.43 4.64 -1.38 -3.48 113.55 107.31 2kvr h SER 116 Ca -0.40 -0.12 -0.41 0.00 -0.47 0.00 0.00 61.79 60.39 2kvr h SER 116 Cb 1.87 -0.05 0.10 0.00 -0.31 0.00 0.00 62.40 64.02 2kvr h SER 116 CO 0.03 0.86 -0.67 -0.67 -0.87 0.00 0.00 176.83 175.51 2kvr n ASP 117 N -3.71 -6.19 0.00 4.97 2.03 0.13 -2.43 116.55 111.35 2kvr n ASP 117 Ca -0.02 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.78 2kvr n ASP 117 Cb 0.73 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 2kvr n ASP 117 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kvr n ASN 118 N -2.89 -3.13 -4.81 1.67 3.02 -1.24 -5.01 115.26 102.87 2kvr n ASN 118 Ca -0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 2kvr n ASN 118 Cb 0.57 -1.68 -0.01 0.00 -0.61 0.00 0.00 39.78 38.04 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 -0.80 3.64 -0.23 3.52 -1.05 -1.02 -5.08 118.70 117.68 2kvr s GLU 119 Ca 0.00 1.15 -0.12 0.00 -0.15 0.00 0.00 54.97 55.85 2kvr s GLU 119 Cb 0.00 -2.08 0.08 0.00 -0.44 0.00 0.00 34.13 31.69 2kvr s GLU 119 CO 0.00 -0.54 0.56 1.21 0.95 0.00 0.00 175.26 177.43 2kvr s ASN 120 N -2.71 -0.74 0.13 0.83 2.47 -1.26 -4.07 114.94 109.59 2kvr s ASN 120 Ca 0.63 1.24 -0.28 0.00 0.42 0.00 0.00 52.86 54.87 2kvr s ASN 120 Cb -0.14 1.24 -0.07 0.00 -1.45 0.00 0.00 41.25 40.83 2kvr s ASN 120 CO 0.31 -0.22 0.88 -2.16 -3.72 0.00 0.00 177.10 172.19 2kvr s PRO 121 N 1.75 4.67 -0.38 0.43 0.04 -1.26 -5.07 135.00 135.18 2kvr s PRO 121 Ca -0.09 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.01 2kvr s PRO 121 Cb -0.08 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2kvr s PRO 121 CO -0.17 0.35 1.00 -0.46 0.04 0.00 0.00 177.00 177.76 2kvr s TRP 122 N -0.45 3.05 -0.08 0.56 -0.00 -0.96 -4.77 118.94 116.29 2kvr s TRP 122 Ca 0.42 0.86 -0.26 0.00 -0.00 0.00 0.00 56.10 57.12 2kvr s TRP 122 Cb -0.23 -3.79 -0.03 0.00 -0.00 0.00 0.00 33.47 29.41 2kvr s TRP 122 CO 0.28 -0.89 0.80 0.99 -0.00 0.00 0.00 176.95 178.14 2kvr s THR 123 N 3.68 4.96 0.01 5.86 2.01 -1.26 -1.01 115.64 129.89 2kvr s THR 123 Ca 0.41 1.65 -0.12 0.00 0.31 0.00 0.00 61.69 63.94 2kvr s THR 123 Cb -0.11 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2kvr s THR 123 CO 0.20 0.17 0.24 -0.51 -0.69 0.00 0.00 174.62 174.03 2kvr s ILE 124 N 1.22 0.08 -0.13 1.82 2.07 -0.36 -2.55 121.20 123.34 2kvr s ILE 124 Ca 0.41 -0.64 -0.06 0.00 -1.41 0.00 0.00 60.65 58.95 2kvr s ILE 124 Cb -0.18 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 2kvr s ILE 124 CO 0.19 -0.35 0.11 -0.36 -1.91 0.00 0.00 174.94 172.62 2kvr s PHE 125 N -1.75 3.48 -0.04 3.50 0.08 -0.29 -3.04 117.98 119.92 2kvr s PHE 125 Ca -0.11 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 2kvr s PHE 125 Cb -0.04 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2kvr s PHE 125 CO 0.01 0.60 0.40 -1.17 -0.10 0.00 0.00 175.22 174.97 2kvr s LEU 126 N -0.77 4.42 0.07 -0.37 0.20 -0.92 -1.99 118.68 119.32 2kvr s LEU 126 Ca 0.13 0.88 0.04 0.00 0.69 0.00 0.00 54.13 55.87 2kvr s LEU 126 Cb -0.12 -2.57 -0.03 0.00 -0.43 0.00 0.00 46.19 43.04 2kvr s LEU 126 CO 0.03 0.25 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.53 2kvr s GLU 127 N -0.64 0.71 0.00 1.98 2.56 -0.23 -4.77 118.70 118.32 2kvr s GLU 127 Ca 0.23 -0.93 0.26 0.00 0.00 0.00 0.00 54.97 54.53 2kvr s GLU 127 Cb -0.16 -0.54 0.64 0.00 2.00 0.00 0.00 34.13 36.07 2kvr s GLU 127 CO 0.12 0.10 1.51 2.41 -0.56 0.00 0.00 175.26 178.84