#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 -0.22 -0.88 -0.52 4.20 -2.05 -2.88 115.11 112.76 2kvr h GLN 2 Ca 0.00 0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.95 2kvr h GLN 2 Cb 0.00 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 2kvr h GLN 2 CO 0.00 0.12 0.61 -0.56 -0.67 0.00 0.00 178.83 178.33 2kvr h GLN 3 N -0.60 0.19 -0.30 1.46 -0.00 -2.05 -0.31 115.11 113.50 2kvr h GLN 3 Ca -0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2kvr h GLN 3 Cb 0.45 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.87 2kvr h GLN 3 CO 0.04 0.12 0.01 1.25 -0.00 0.00 0.00 178.83 180.25 2kvr h LEU 4 N 0.19 0.51 0.00 0.06 5.85 -1.95 -1.31 115.31 118.67 2kvr h LEU 4 Ca 0.44 -0.30 -0.24 0.00 0.84 0.00 0.00 57.88 58.62 2kvr h LEU 4 Cb 1.43 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 2kvr h LEU 4 CO -0.09 0.69 -1.22 1.62 -0.34 0.00 0.00 178.44 179.09 2kvr h VAL 5 N 0.32 1.44 -0.31 1.05 3.04 -1.33 -3.19 116.25 117.28 2kvr h VAL 5 Ca 0.09 -3.20 -0.16 0.00 -1.01 0.00 0.00 66.70 62.42 2kvr h VAL 5 Cb 0.42 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 2kvr h VAL 5 CO 0.01 0.82 -0.44 -0.33 -1.01 0.00 0.00 177.57 176.63 2kvr h GLU 6 N 0.00 0.80 -0.20 4.17 4.39 -1.07 -1.97 114.58 120.70 2kvr h GLU 6 Ca -0.10 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 59.04 2kvr h GLU 6 Cb 1.85 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 2kvr h GLU 6 CO 0.12 1.08 -0.38 0.07 -1.16 0.00 0.00 179.01 178.73 2kvr h ARG 7 N 0.64 0.44 -0.94 2.33 -0.00 -1.37 -0.83 114.38 114.66 2kvr h ARG 7 Ca 0.04 -0.21 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 2kvr h ARG 7 Cb 1.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.93 2kvr h ARG 7 CO 0.10 0.75 0.60 1.25 -0.00 0.00 0.00 179.97 182.67 2kvr h LEU 8 N 0.37 1.09 -0.27 0.08 6.46 -1.48 -1.15 115.31 120.40 2kvr h LEU 8 Ca 0.04 -0.04 -0.20 0.00 -0.12 0.00 0.00 57.88 57.55 2kvr h LEU 8 Cb 0.83 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2kvr h LEU 8 CO 0.07 0.81 -0.70 1.56 -0.62 0.00 0.00 178.44 179.55 2kvr h GLN 9 N 1.28 0.71 0.00 1.25 4.20 -1.01 0.85 115.11 122.39 2kvr h GLN 9 Ca 0.34 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2kvr h GLN 9 Cb -0.11 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2kvr h GLN 9 CO -0.07 1.16 -0.06 0.93 -0.67 0.00 0.00 178.83 180.12 2kvr h GLU 10 N 0.50 0.00 0.14 1.46 4.39 -0.80 -2.37 114.58 117.90 2kvr h GLU 10 Ca -0.03 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.34 2kvr h GLU 10 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2kvr h GLU 10 CO 0.14 0.06 -1.72 0.93 -1.16 0.00 0.00 179.01 177.26 2kvr h GLU 11 N 0.00 0.29 0.00 2.33 5.08 -1.01 -3.40 114.58 117.87 2kvr h GLU 11 Ca -0.00 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2kvr h GLU 11 Cb 0.24 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kvr h GLU 11 CO 0.01 1.24 -0.21 1.57 -1.00 0.00 0.00 179.01 180.62 2kvr h LYS 12 N -0.08 0.00 0.00 2.33 2.10 -0.33 -3.11 116.57 117.48 2kvr h LYS 12 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2kvr h LYS 12 Cb 1.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 2kvr h LYS 12 CO 0.09 0.21 0.00 2.89 -2.00 0.00 0.00 179.45 180.64 2kvr n ARG 13 N -3.59 0.02 0.27 0.07 1.85 -0.97 -1.99 116.66 112.33 2kvr n ARG 13 Ca -0.01 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.42 2kvr n ARG 13 Cb 0.35 -1.56 0.79 0.00 -1.05 0.00 0.00 32.46 30.99 2kvr n ARG 13 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 2kvr h ILE 14 N 0.00 0.56 0.00 8.89 -2.65 -1.85 -2.89 117.51 119.58 2kvr h ILE 14 Ca 0.00 -0.35 -0.00 0.00 1.03 0.00 0.00 64.86 65.53 2kvr h ILE 14 Cb 0.08 1.23 -0.00 0.00 -2.05 0.00 0.00 36.82 36.08 2kvr h ILE 14 CO 0.00 0.08 -0.01 1.05 0.03 0.00 0.00 178.15 179.30 2kvr h GLU 15 N 0.00 0.00 -0.07 0.16 4.11 -1.69 -0.62 114.58 116.46 2kvr h GLU 15 Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 2kvr h GLU 15 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kvr h GLU 15 CO 0.01 0.01 0.18 0.00 0.07 0.00 0.00 179.01 179.28 2kvr h ALA 16 N 1.99 1.42 0.00 1.06 0.00 -1.76 -2.59 119.26 119.38 2kvr h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kvr h ALA 16 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kvr h ALA 16 CO 0.00 -0.21 -0.67 0.94 0.00 0.00 0.00 179.25 179.31 2kvr n GLN 17 N -3.32 0.00 0.16 0.00 7.27 -0.84 -4.88 117.38 115.77 2kvr n GLN 17 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.08 2kvr n GLN 17 Cb 0.26 -0.73 0.24 0.00 2.41 0.00 0.00 30.24 32.42 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 0.00 0.00 0.00 3.69 1.63 -1.19 -2.86 116.57 117.84 2kvr h LYS 18 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kvr h LYS 18 Cb 0.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2kvr h LYS 18 CO 0.00 0.50 0.00 -2.13 -3.45 0.00 0.00 179.45 174.37 2kvr n ARG 19 N -3.65 0.75 0.01 1.90 0.63 -0.98 -3.28 116.66 112.05 2kvr n ARG 19 Ca -0.01 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 2kvr n ARG 19 Cb 0.57 -1.44 -0.09 0.00 0.45 0.00 0.00 32.46 31.95 2kvr n ARG 19 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2kvr h LYS 20 N 0.00 -0.57 -5.46 -0.14 1.63 -1.72 -3.33 116.57 106.98 2kvr h LYS 20 Ca 0.00 0.04 -0.63 0.00 -0.85 0.00 0.00 60.65 59.20 2kvr h LYS 20 Cb 0.00 0.13 -0.14 0.00 -0.60 0.00 0.00 32.23 31.61 2kvr h LYS 20 CO 0.00 -0.38 0.71 -1.21 -3.45 0.00 0.00 179.45 175.12 2kvr s GLU 21 N -5.78 3.25 -0.35 1.90 2.02 -1.21 -4.86 118.70 113.69 2kvr s GLU 21 Ca -0.16 -1.01 0.06 0.00 0.02 0.00 0.00 54.97 53.89 2kvr s GLU 21 Cb 0.08 -4.45 0.47 0.00 0.10 0.00 0.00 34.13 30.33 2kvr s GLU 21 CO 0.62 -1.86 1.41 2.89 0.02 0.00 0.00 175.26 178.35 2kvr n ARG 22 N 7.65 2.74 -4.25 1.61 1.85 -1.25 -4.83 116.66 120.18 2kvr n ARG 22 Ca 0.05 -3.66 -0.18 0.00 -1.00 0.00 0.00 57.85 53.06 2kvr n ARG 22 Cb 0.47 -2.08 -0.08 0.00 -1.05 0.00 0.00 32.46 29.72 2kvr n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2kvr s GLN 23 N -3.50 1.69 -0.36 2.89 -2.07 -1.26 -5.11 119.66 111.93 2kvr s GLN 23 Ca 0.50 -1.93 -0.29 0.00 -1.82 0.00 0.00 55.36 51.82 2kvr s GLN 23 Cb 0.42 0.33 -0.01 0.00 -1.09 0.00 0.00 33.01 32.67 2kvr s GLN 23 CO 0.01 -0.62 1.63 -1.83 -1.32 0.00 0.00 175.29 173.15 2kvr s GLU 24 N -3.52 3.44 0.00 9.60 -1.05 -1.26 -4.85 118.70 121.06 2kvr s GLU 24 Ca 0.40 1.22 0.00 0.00 -0.15 0.00 0.00 54.97 56.43 2kvr s GLU 24 Cb 0.03 -4.12 0.00 0.00 -0.44 0.00 0.00 34.13 29.60 2kvr s GLU 24 CO 0.25 -1.73 0.00 0.00 0.95 0.00 0.00 175.26 174.73 2kvr n ALA 25 N 9.63 0.00 0.22 -0.84 0.00 -1.26 -5.01 120.51 123.25 2kvr n ALA 25 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.65 2kvr n ALA 25 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 1.45 0.00 1.44 -1.26 -3.19 115.22 113.66 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 0.00 0.30 0.00 0.12 0.00 0.00 29.99 30.41 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 -0.80 0.00 -0.71 2.39 7.99 -1.26 -4.43 117.00 120.18 2kvr n LEU 27 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2kvr n LEU 27 Cb 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 2kvr n LEU 27 CO 0.01 0.00 0.03 -1.22 -1.51 0.00 0.00 177.39 174.70 2kvr n TYR 28 N -0.72 0.00 -1.23 -1.77 4.01 -1.19 -1.36 117.16 114.91 2kvr n TYR 28 Ca 0.08 -0.02 -0.48 0.00 -0.16 0.00 0.00 57.90 57.32 2kvr n TYR 28 Cb 0.03 -0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 2kvr n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kvr n MET 29 N 0.67 0.00 -2.81 -0.72 0.00 -0.06 -2.36 117.12 111.84 2kvr n MET 29 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 2kvr n MET 29 Cb 0.03 -1.15 -0.04 0.00 0.00 0.00 0.00 33.22 32.07 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 0.96 3.47 -0.26 3.17 -0.21 -1.26 -1.75 119.66 123.78 2kvr s GLN 30 Ca 0.74 0.05 -0.18 0.00 0.02 0.00 0.00 55.36 55.99 2kvr s GLN 30 Cb -1.04 -3.97 -0.03 0.00 1.00 0.00 0.00 33.01 28.97 2kvr s GLN 30 CO 0.52 -1.33 0.51 0.54 -2.12 0.00 0.00 175.29 173.40 2kvr s VAL 31 N 3.89 5.07 -0.46 1.09 0.11 -0.59 -1.69 120.40 127.82 2kvr s VAL 31 Ca 0.36 0.84 -0.28 0.00 -2.93 0.00 0.00 61.98 59.97 2kvr s VAL 31 Cb -0.11 -3.82 0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2kvr s VAL 31 CO 0.24 0.08 1.05 -1.10 -3.33 0.00 0.00 175.10 172.04 2kvr s GLN 32 N 2.30 3.68 -0.04 1.54 -0.21 0.41 -2.45 119.66 124.88 2kvr s GLN 32 Ca 0.21 0.45 0.05 0.00 0.02 0.00 0.00 55.36 56.09 2kvr s GLN 32 Cb -0.16 -3.90 -0.02 0.00 1.00 0.00 0.00 33.01 29.93 2kvr s GLN 32 CO 0.09 -1.28 -0.18 0.42 -2.12 0.00 0.00 175.29 172.22 2kvr s ILE 33 N 4.12 2.72 -0.02 1.08 -1.09 -0.87 -0.44 121.20 126.70 2kvr s ILE 33 Ca 0.43 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 2kvr s ILE 33 Cb -0.09 -2.03 -0.00 0.00 -1.58 0.00 0.00 42.46 38.76 2kvr s ILE 33 CO 0.28 0.58 -0.09 0.68 -1.23 0.00 0.00 174.94 175.16 2kvr s VAL 34 N -0.63 0.78 -0.35 2.92 -7.23 -1.10 -1.25 120.40 113.53 2kvr s VAL 34 Ca 0.09 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2kvr s VAL 34 Cb -0.11 -0.67 0.13 0.00 0.56 0.00 0.00 36.38 36.29 2kvr s VAL 34 CO 0.00 0.23 0.19 0.00 -0.31 0.00 0.00 175.10 175.22 2kvr s ALA 35 N -0.00 1.01 -1.15 1.32 0.00 -1.26 -1.47 121.76 120.21 2kvr s ALA 35 Ca 0.00 -1.79 -0.21 0.00 0.00 0.00 0.00 51.96 49.96 2kvr s ALA 35 Cb -0.06 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2kvr s ALA 35 CO 0.00 -2.01 1.68 -2.00 0.00 0.00 0.00 175.76 173.43 2kvr s GLU 36 N 1.20 3.54 0.00 0.00 2.12 -1.26 -4.57 118.70 119.73 2kvr s GLU 36 Ca 0.16 -1.42 0.20 0.00 0.36 0.00 0.00 54.97 54.27 2kvr s GLU 36 Cb -0.22 -5.40 1.20 0.00 0.26 0.00 0.00 34.13 29.97 2kvr s GLU 36 CO -0.07 -2.54 1.63 -3.47 -0.54 0.00 0.00 175.26 170.28 2kvr n ASP 37 N 9.78 0.00 -0.26 -1.70 2.03 0.89 -3.81 116.55 123.48 2kvr n ASP 37 Ca 0.42 -0.91 0.07 0.00 0.52 0.00 0.00 54.79 54.89 2kvr n ASP 37 Cb 0.48 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.09 2kvr n ASP 37 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2kvr h GLN 38 N 0.00 0.31 -0.25 -0.67 4.15 -1.52 0.26 115.11 117.39 2kvr h GLN 38 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2kvr h GLN 38 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2kvr h GLN 38 CO 0.00 0.20 0.00 1.19 -1.93 0.00 0.00 178.83 178.29 2kvr n PHE 39 N -5.12 0.33 0.03 3.99 3.72 -1.25 -4.36 117.46 114.80 2kvr n PHE 39 Ca 0.16 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2kvr n PHE 39 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2kvr n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kvr n GLY 41 N 3.35 -0.71 3.87 0.00 0.00 0.82 -5.10 105.19 107.43 2kvr n GLY 41 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 2kvr n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kvr s HIS 42 N -2.39 3.44 0.13 1.61 2.46 -1.26 -4.65 115.29 114.62 2kvr s HIS 42 Ca 0.43 1.06 -0.31 0.00 0.47 0.00 0.00 55.06 56.70 2kvr s HIS 42 Cb -0.01 -2.43 -0.10 0.00 -0.13 0.00 0.00 32.58 29.90 2kvr s HIS 42 CO 0.29 -0.00 1.68 -0.65 -2.47 0.00 0.00 174.74 173.59 2kvr s GLN 43 N -3.50 4.18 0.00 2.88 -1.52 -1.26 -4.92 119.66 115.51 2kvr s GLN 43 Ca 0.51 2.45 0.00 0.00 -1.95 0.00 0.00 55.36 56.37 2kvr s GLN 43 Cb -0.10 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 2kvr s GLN 43 CO 0.26 -0.72 0.00 0.41 -0.25 0.00 0.00 175.29 174.99 2kvr n GLY 44 N 3.98 0.85 3.19 3.09 0.00 -1.26 -5.07 105.19 109.97 2kvr n GLY 44 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.00 2.93 -1.07 1.61 0.01 -1.26 -5.06 114.94 111.10 2kvr s ASN 45 Ca 0.00 -0.53 -0.24 0.00 -0.71 0.00 0.00 52.86 51.38 2kvr s ASN 45 Cb 0.00 -1.34 -0.09 0.00 0.41 0.00 0.00 41.25 40.22 2kvr s ASN 45 CO 0.00 0.14 1.99 -1.81 -1.51 0.00 0.00 177.10 175.90 2kvr s ASP 46 N 0.43 4.81 0.00 -1.22 1.11 -1.26 -3.14 116.67 117.40 2kvr s ASP 46 Ca -0.17 -1.20 0.00 0.00 0.18 0.00 0.00 52.55 51.36 2kvr s ASP 46 Cb -0.17 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.24 2kvr s ASP 46 CO 0.07 -3.22 0.00 0.80 1.18 0.00 0.00 175.17 174.00 2kvr n MET 47 N 8.47 0.00 -3.01 8.23 1.56 -1.26 -5.00 117.12 126.11 2kvr n MET 47 Ca 0.43 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.69 2kvr n MET 47 Cb 0.46 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.82 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 -1.78 -1.57 -2.33 1.12 4.19 -1.19 -5.09 117.16 110.51 2kvr n TYR 48 Ca 0.00 -2.83 -0.40 0.00 3.31 0.00 0.00 57.90 57.98 2kvr n TYR 48 Cb 0.00 0.44 -0.03 0.00 0.49 0.00 0.00 39.34 40.23 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 -1.42 5.78 0.00 2.98 1.11 -1.25 -4.83 116.67 119.05 2kvr s ASP 49 Ca 0.34 -0.18 0.15 0.00 0.18 0.00 0.00 52.55 53.04 2kvr s ASP 49 Cb 0.20 -2.55 0.70 0.00 1.07 0.00 0.00 42.92 42.34 2kvr s ASP 49 CO -0.16 -2.07 1.48 -0.62 1.18 0.00 0.00 175.17 174.97 2kvr n GLU 50 N 9.27 0.07 0.14 8.23 1.02 -1.26 -0.06 120.64 138.05 2kvr n GLU 50 Ca 0.12 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 2kvr n GLU 50 Cb 0.50 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.00 0.00 3.49 3.07 -1.88 -3.39 114.58 115.87 2kvr h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kvr h GLU 51 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2kvr h GLU 51 CO 0.00 0.00 -0.11 1.17 -1.40 0.00 0.00 179.01 178.67 2kvr n LYS 52 N -2.67 0.21 -1.10 2.33 3.00 -0.19 -0.08 118.16 119.67 2kvr n LYS 52 Ca 0.03 -0.71 -0.32 0.00 -0.00 0.00 0.00 58.31 57.31 2kvr n LYS 52 Cb 0.50 -0.55 0.12 0.00 0.00 0.00 0.00 35.03 35.10 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 -0.12 2.40 0.00 3.15 -7.23 0.91 -4.94 120.40 114.58 2kvr s VAL 53 Ca 0.01 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2kvr s VAL 53 Cb 0.01 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2kvr s VAL 53 CO 0.00 -0.15 0.00 0.29 -0.31 0.00 0.00 175.10 174.93 2kvr n LYS 54 N -3.49 0.35 -1.54 4.82 4.01 -1.26 -4.67 118.16 116.38 2kvr n LYS 54 Ca 0.12 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.57 2kvr n LYS 54 Cb 0.52 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.99 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 -1.61 1.29 -2.52 2.13 4.01 -1.26 -4.73 117.16 114.48 2kvr n TYR 55 Ca 0.00 0.14 -0.42 0.00 -0.16 0.00 0.00 57.90 57.46 2kvr n TYR 55 Cb 0.00 -2.59 -0.03 0.00 -0.31 0.00 0.00 39.34 36.42 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 11.95 4.40 -0.47 -0.72 -1.32 -0.38 -4.79 115.64 124.30 2kvr s THR 56 Ca 1.03 1.71 -0.20 0.00 -1.21 0.00 0.00 61.69 63.01 2kvr s THR 56 Cb -0.31 -4.10 0.04 0.00 -1.51 0.00 0.00 72.50 66.63 2kvr s THR 56 CO 0.28 0.00 0.64 -0.69 -2.21 0.00 0.00 174.62 172.64 2kvr s VAL 57 N 2.14 4.83 -0.38 5.08 1.01 -1.26 -2.06 120.40 129.77 2kvr s VAL 57 Ca 0.54 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 2kvr s VAL 57 Cb -0.23 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 31.96 2kvr s VAL 57 CO 0.21 -0.70 0.19 -0.36 0.00 0.00 0.00 175.10 174.44 2kvr s PHE 58 N 2.77 3.33 -0.39 5.22 0.08 -1.03 -4.94 117.98 123.02 2kvr s PHE 58 Ca 0.19 -1.56 -0.29 0.00 0.12 0.00 0.00 56.93 55.40 2kvr s PHE 58 Cb -0.16 -2.70 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 2kvr s PHE 58 CO 0.16 -0.81 1.38 -1.59 -0.10 0.00 0.00 175.22 174.27 2kvr s LYS 59 N 1.39 3.64 0.05 0.44 0.00 -1.26 -1.54 119.74 122.46 2kvr s LYS 59 Ca 0.02 0.98 0.04 0.00 0.00 0.00 0.00 55.97 57.01 2kvr s LYS 59 Cb -0.21 -4.00 -0.02 0.00 0.00 0.00 0.00 37.83 33.60 2kvr s LYS 59 CO 0.02 -1.48 -0.12 0.14 0.00 0.00 0.00 175.35 173.91 2kvr s VAL 60 N 5.21 0.94 -0.30 1.79 -7.23 -0.72 -4.90 120.40 115.20 2kvr s VAL 60 Ca 0.60 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 2kvr s VAL 60 Cb -0.14 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.90 2kvr s VAL 60 CO 0.31 -0.16 1.24 -0.76 -0.31 0.00 0.00 175.10 175.42 2kvr s LEU 61 N -1.40 3.91 0.53 1.32 2.01 -1.25 -0.88 118.68 122.92 2kvr s LEU 61 Ca -0.02 1.19 0.27 0.00 0.01 0.00 0.00 54.13 55.57 2kvr s LEU 61 Cb -0.09 -3.54 1.49 0.00 0.01 0.00 0.00 46.19 44.06 2kvr s LEU 61 CO 0.01 -1.01 2.10 0.07 1.01 0.00 0.00 176.35 178.54 2kvr h LYS 62 N 8.91 0.00 0.00 1.70 2.10 -1.58 -1.80 116.57 125.91 2kvr h LYS 62 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2kvr h LYS 62 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2kvr h LYS 62 CO 1.03 0.10 0.00 0.27 -2.00 0.00 0.00 179.45 178.85 2kvr n ASN 63 N -3.73 0.53 -4.94 7.07 0.23 -1.26 -2.41 115.26 110.75 2kvr n ASN 63 Ca -0.02 0.57 -0.24 0.00 -0.53 0.00 0.00 54.58 54.35 2kvr n ASN 63 Cb 0.21 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.21 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2kvr s SER 64 N -4.00 6.02 0.64 0.53 0.15 -0.68 -4.89 113.70 111.47 2kvr s SER 64 Ca 0.10 0.46 -0.12 0.00 0.70 0.00 0.00 55.95 57.09 2kvr s SER 64 Cb 0.13 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.62 2kvr s SER 64 CO 0.53 -0.59 1.04 -0.94 1.20 0.00 0.00 173.24 174.48 2kvr s SER 65 N -4.15 5.84 0.39 5.45 1.04 -1.26 -2.58 113.70 118.43 2kvr s SER 65 Ca 0.46 1.57 0.18 0.00 0.48 0.00 0.00 55.95 58.64 2kvr s SER 65 Cb -0.10 -2.49 0.81 0.00 0.10 0.00 0.00 66.02 64.34 2kvr s SER 65 CO 0.39 -1.13 1.82 0.25 0.98 0.00 0.00 173.24 175.54 2kvr h LEU 66 N -0.28 0.00 -1.61 2.42 7.12 -1.40 -2.84 115.31 118.72 2kvr h LEU 66 Ca -0.45 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.62 2kvr h LEU 66 Cb 1.20 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.30 2kvr h LEU 66 CO 0.59 0.34 0.34 0.00 -0.13 0.00 0.00 178.44 179.59 2kvr h ALA 67 N 1.66 1.87 -0.37 1.25 0.00 -1.80 0.04 119.26 121.90 2kvr h ALA 67 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2kvr h ALA 67 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kvr h ALA 67 CO 0.04 0.05 -0.30 0.93 0.00 0.00 0.00 179.25 179.97 2kvr h GLU 68 N 0.48 0.81 -0.44 0.00 4.39 -1.83 -2.27 114.58 115.72 2kvr h GLU 68 Ca 0.22 -0.37 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 2kvr h GLU 68 Cb 0.26 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2kvr h GLU 68 CO -0.06 1.00 -0.23 0.35 -1.16 0.00 0.00 179.01 178.92 2kvr h PHE 69 N 0.69 1.08 0.05 4.33 3.57 -1.36 -2.87 116.94 122.43 2kvr h PHE 69 Ca 0.08 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 2kvr h PHE 69 Cb 0.85 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2kvr h PHE 69 CO 0.05 1.08 -0.02 0.28 -2.23 0.00 0.00 178.31 177.46 2kvr h VAL 70 N 0.77 1.02 -0.64 1.41 2.07 -0.90 -0.99 116.25 119.00 2kvr h VAL 70 Ca 0.10 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2kvr h VAL 70 Cb 0.80 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2kvr h VAL 70 CO 0.07 0.05 0.23 0.06 0.02 0.00 0.00 177.57 178.00 2kvr h GLN 71 N -0.16 0.95 -0.36 1.57 3.07 -1.48 0.05 115.11 118.75 2kvr h GLN 71 Ca -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 58.65 58.54 2kvr h GLN 71 Cb 0.14 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 2kvr h GLN 71 CO 0.01 0.80 0.15 0.77 0.09 0.00 0.00 178.83 180.64 2kvr h SER 72 N 0.93 0.49 0.61 0.06 0.02 -1.37 -2.76 113.55 111.52 2kvr h SER 72 Ca 0.21 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2kvr h SER 72 Cb 0.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2kvr h SER 72 CO -0.01 0.52 -0.41 0.25 -1.14 0.00 0.00 176.83 176.04 2kvr h LEU 73 N 0.43 0.00 -0.68 5.07 6.46 -0.73 -2.61 115.31 123.25 2kvr h LEU 73 Ca 0.12 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.75 2kvr h LEU 73 Cb 0.18 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2kvr h LEU 73 CO -0.01 0.41 -0.43 -1.28 -0.62 0.00 0.00 178.44 176.50 2kvr h SER 74 N 0.00 0.55 0.45 1.25 0.87 -0.83 -2.56 113.55 113.28 2kvr h SER 74 Ca -0.00 -0.25 -0.26 0.00 -1.23 0.00 0.00 61.79 60.04 2kvr h SER 74 Cb 0.82 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2kvr h SER 74 CO 0.05 0.91 -1.15 1.56 -0.53 0.00 0.00 176.83 177.67 2kvr h GLN 75 N 0.42 0.38 0.16 2.24 1.08 -1.27 -2.20 115.11 115.90 2kvr h GLN 75 Ca 0.03 -0.53 -0.29 0.00 -1.45 0.00 0.00 58.65 56.41 2kvr h GLN 75 Cb 0.93 0.18 0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2kvr h GLN 75 CO 0.08 1.21 -1.29 0.00 -0.95 0.00 0.00 178.83 177.88 2kvr h THR 76 N 0.16 1.46 0.00 -0.54 1.03 -1.45 -3.36 112.91 110.20 2kvr h THR 76 Ca -0.13 -2.99 0.00 0.00 -0.01 0.00 0.00 66.41 63.28 2kvr h THR 76 Cb 1.84 2.97 0.00 0.00 -1.07 0.00 0.00 68.15 71.89 2kvr h THR 76 CO 0.20 0.88 -0.89 0.23 -0.01 0.00 0.00 175.52 175.92 2kvr n MET 77 N -3.57 2.19 -1.00 0.00 2.81 -0.97 -5.00 117.12 111.57 2kvr n MET 77 Ca -0.10 -0.04 -0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2kvr n MET 77 Cb 1.04 -1.13 -0.00 0.00 -0.71 0.00 0.00 33.22 32.42 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 1.46 0.44 3.72 3.03 0.00 -0.83 -5.02 105.19 107.99 2kvr n GLY 78 Ca 0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2kvr n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvr s PHE 79 N -1.89 3.38 0.14 1.61 0.40 -1.23 -4.97 117.98 115.42 2kvr s PHE 79 Ca 0.00 1.25 -0.31 0.00 -0.60 0.00 0.00 56.93 57.26 2kvr s PHE 79 Cb 0.00 -3.50 -0.10 0.00 0.51 0.00 0.00 43.02 39.93 2kvr s PHE 79 CO 0.00 -1.56 1.76 -1.25 0.70 0.00 0.00 175.22 174.87 2kvr s PRO 80 N 0.66 4.15 0.64 0.24 0.04 -1.26 -4.22 135.00 135.24 2kvr s PRO 80 Ca 0.58 2.54 0.42 0.00 0.04 0.00 0.00 61.00 64.59 2kvr s PRO 80 Cb -0.32 -3.43 2.22 0.00 0.04 0.00 0.00 34.50 33.00 2kvr s PRO 80 CO 0.32 -0.78 2.29 -0.56 0.04 0.00 0.00 177.00 178.30 2kvr h GLN 81 N 7.98 0.00 -0.01 4.56 3.07 -1.91 0.42 115.11 129.22 2kvr h GLN 81 Ca -0.44 0.00 -0.09 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 28.76 2kvr h GLN 81 CO 0.94 0.00 -0.43 0.22 0.09 0.00 0.00 178.83 179.65 2kvr h ASP 82 N 0.00 0.02 -0.07 0.06 3.58 -1.97 -3.30 116.42 114.73 2kvr h ASP 82 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kvr h ASP 82 Cb 0.09 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2kvr h ASP 82 CO 0.00 0.45 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 2kvr n GLN 83 N -4.02 1.22 -1.92 0.28 6.02 0.00 -4.96 117.38 114.00 2kvr n GLN 83 Ca -0.02 -1.23 -0.33 0.00 -0.01 0.00 0.00 57.00 55.41 2kvr n GLN 83 Cb 0.46 -1.10 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.68 3.28 -0.20 5.09 1.01 -0.41 -3.98 121.20 125.31 2kvr s ILE 84 Ca 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 2kvr s ILE 84 Cb 0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2kvr s ILE 84 CO 0.06 -0.68 0.00 -0.13 0.00 0.00 0.00 174.94 174.19 2kvr s ARG 85 N 7.41 3.65 -0.10 2.79 0.52 -0.88 -5.00 118.95 127.34 2kvr s ARG 85 Ca 0.75 -0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 55.29 2kvr s ARG 85 Cb -0.12 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 2kvr s ARG 85 CO 0.16 0.05 0.44 -0.51 0.02 0.00 0.00 175.30 175.46 2kvr s LEU 86 N 0.91 4.31 -0.26 2.53 1.02 -1.26 -1.20 118.68 124.73 2kvr s LEU 86 Ca 0.01 0.81 0.02 0.00 0.02 0.00 0.00 54.13 55.00 2kvr s LEU 86 Cb -0.14 -2.64 0.06 0.00 0.02 0.00 0.00 46.19 43.48 2kvr s LEU 86 CO 0.02 0.08 -0.10 0.26 0.02 0.00 0.00 176.35 176.63 2kvr s TRP 87 N 0.26 3.25 0.76 0.29 0.52 -0.73 -1.21 118.94 122.10 2kvr s TRP 87 Ca 0.24 -2.24 -0.11 0.00 0.02 0.00 0.00 56.10 54.02 2kvr s TRP 87 Cb -0.15 -1.96 0.05 0.00 -1.15 0.00 0.00 33.47 30.26 2kvr s TRP 87 CO 0.10 -0.87 1.10 -1.25 0.02 0.00 0.00 176.95 176.05 2kvr s PRO 88 N 1.13 2.28 -1.00 4.98 0.04 -1.26 -1.04 135.00 140.13 2kvr s PRO 88 Ca -0.08 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.92 2kvr s PRO 88 Cb -0.20 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 2kvr s PRO 88 CO -0.05 -1.63 2.16 0.00 0.04 0.00 0.00 177.00 177.52 2kvr s MET 89 N -4.77 1.60 -0.33 4.56 0.23 -1.07 -4.82 119.30 114.70 2kvr s MET 89 Ca 0.62 -0.26 -0.05 0.00 -1.03 0.00 0.00 55.69 54.96 2kvr s MET 89 Cb -0.18 -4.97 0.04 0.00 -1.53 0.00 0.00 34.83 28.19 2kvr s MET 89 CO 0.54 -4.82 0.08 -1.14 -2.03 0.00 0.00 175.02 167.65 2kvr s GLN 90 N 8.18 2.62 -1.12 3.16 0.74 -1.26 -5.03 119.66 126.95 2kvr s GLN 90 Ca 0.82 -1.17 -0.23 0.00 0.05 0.00 0.00 55.36 54.83 2kvr s GLN 90 Cb -0.07 -3.39 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 2kvr s GLN 90 CO 0.13 -0.63 1.96 0.00 -0.55 0.00 0.00 175.29 176.20 2kvr s ALA 91 N 1.38 1.64 -0.20 1.58 0.00 -1.26 -4.93 121.76 119.98 2kvr s ALA 91 Ca -0.02 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 49.82 2kvr s ALA 91 Cb -0.19 -4.65 -0.04 0.00 0.00 0.00 0.00 23.12 18.24 2kvr s ALA 91 CO 0.02 -5.31 0.43 -0.98 0.00 0.00 0.00 175.76 169.92 2kvr s ARG 92 N 6.79 4.18 0.00 0.00 3.03 -1.26 -4.98 118.95 126.71 2kvr s ARG 92 Ca 0.70 0.26 0.00 0.00 2.03 0.00 0.00 55.73 58.72 2kvr s ARG 92 Cb -0.02 -3.54 0.00 0.00 -1.03 0.00 0.00 34.95 30.36 2kvr s ARG 92 CO 0.11 -0.06 0.00 0.43 -1.13 0.00 0.00 175.30 174.65 2kvr n SER 93 N 4.51 0.00 -4.53 -2.89 7.64 -0.99 -4.92 113.62 112.43 2kvr n SER 93 Ca -0.07 -0.77 -0.45 0.00 1.01 0.00 0.00 58.87 58.58 2kvr n SER 93 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.38 2.66 0.00 6.43 4.13 -1.26 -2.73 115.26 123.11 2kvr n ASN 94 Ca 0.00 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.46 2kvr n ASN 94 Cb 0.00 -1.43 0.00 0.00 -1.54 0.00 0.00 39.78 36.81 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 6.12 1.99 3.32 7.41 0.00 -1.26 -4.93 105.19 117.84 2kvr n GLY 95 Ca 0.36 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 2kvr n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kvr n THR 96 N 0.00 4.39 -3.30 2.61 -1.04 -1.19 -4.88 114.28 110.87 2kvr n THR 96 Ca 0.00 -4.87 -0.42 0.00 -2.04 0.00 0.00 64.05 56.72 2kvr n THR 96 Cb 0.00 -2.45 -0.01 0.00 -1.82 0.00 0.00 70.33 66.05 2kvr n THR 96 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kvr n LYS 97 N 4.57 3.62 -3.12 -2.82 3.00 -1.11 -2.36 118.16 119.95 2kvr n LYS 97 Ca 0.34 -4.50 -0.18 0.00 -0.00 0.00 0.00 58.31 53.97 2kvr n LYS 97 Cb 0.40 -2.50 -0.05 0.00 0.00 0.00 0.00 35.03 32.88 2kvr n LYS 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kvr n ARG 98 N 2.16 0.41 -2.45 1.64 0.63 -1.26 -5.01 116.66 112.77 2kvr n ARG 98 Ca 0.24 -2.71 -0.28 0.00 -0.92 0.00 0.00 57.85 54.19 2kvr n ARG 98 Cb 0.37 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.75 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kvr s PRO 99 N 0.21 3.53 0.08 -0.14 0.04 -1.26 -5.04 135.00 132.42 2kvr s PRO 99 Ca 0.32 0.32 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 2kvr s PRO 99 Cb 0.06 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2kvr s PRO 99 CO -0.15 -0.31 0.34 0.00 0.04 0.00 0.00 177.00 176.93 2kvr s ALA 100 N -2.85 -0.76 0.88 8.56 0.00 -1.26 -5.18 121.76 121.15 2kvr s ALA 100 Ca 0.49 -0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 2kvr s ALA 100 Cb -0.10 0.48 0.14 0.00 0.00 0.00 0.00 23.12 23.63 2kvr s ALA 100 CO 0.47 -0.52 1.25 0.00 0.00 0.00 0.00 175.76 176.96 2kvr s MET 101 N -3.17 1.30 0.57 0.00 0.23 -1.26 -4.53 119.30 112.44 2kvr s MET 101 Ca -0.01 -0.17 -0.17 0.00 -1.03 0.00 0.00 55.69 54.31 2kvr s MET 101 Cb 0.01 -1.90 -0.05 0.00 -1.53 0.00 0.00 34.83 31.36 2kvr s MET 101 CO -0.07 -2.00 1.08 -0.51 -2.03 0.00 0.00 175.02 171.48 2kvr s LEU 102 N -5.73 3.61 -0.28 0.18 2.01 -0.35 -4.95 118.68 113.17 2kvr s LEU 102 Ca 0.68 1.95 -0.28 0.00 0.01 0.00 0.00 54.13 56.49 2kvr s LEU 102 Cb -0.07 -4.55 -0.04 0.00 0.01 0.00 0.00 46.19 41.53 2kvr s LEU 102 CO 0.51 -1.18 2.09 -1.81 1.01 0.00 0.00 176.35 176.98 2kvr s ASP 103 N -2.35 5.51 0.57 2.29 1.11 -1.26 -4.82 116.67 117.72 2kvr s ASP 103 Ca 0.67 1.62 0.36 0.00 0.18 0.00 0.00 52.55 55.38 2kvr s ASP 103 Cb -0.19 -2.51 1.67 0.00 1.07 0.00 0.00 42.92 42.96 2kvr s ASP 103 CO 0.32 -1.96 2.09 -1.13 1.18 0.00 0.00 175.17 175.66 2kvr h ASN 104 N 14.71 0.00 0.87 0.27 -0.00 -1.99 0.13 115.58 129.56 2kvr h ASN 104 Ca -0.37 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 55.70 2kvr h ASN 104 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.52 2kvr h ASN 104 CO 1.00 0.00 -1.05 -0.08 -0.00 0.00 0.00 177.43 177.30 2kvr h GLU 105 N 0.00 0.09 0.00 6.67 4.57 -1.98 -3.38 114.58 120.54 2kvr h GLU 105 Ca 0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2kvr h GLU 105 Cb 0.34 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2kvr h GLU 105 CO 0.00 1.05 -0.28 0.00 -1.18 0.00 0.00 179.01 178.60 2kvr h ALA 106 N 0.89 0.04 0.32 2.92 0.00 -1.17 -3.40 119.26 118.86 2kvr h ALA 106 Ca -0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2kvr h ALA 106 Cb 1.80 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2kvr h ALA 106 CO 0.15 0.19 -0.15 0.38 0.00 0.00 0.00 179.25 179.81 2kvr h ASP 107 N -1.00 -0.36 0.91 0.00 2.03 -1.12 -2.73 116.42 114.14 2kvr h ASP 107 Ca -0.06 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2kvr h ASP 107 Cb 0.66 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 2kvr h ASP 107 CO -0.04 -0.20 0.00 1.23 -1.03 0.00 0.00 179.24 179.21 2kvr h GLY 108 N -0.50 0.00 -0.52 7.15 0.00 -1.82 -2.94 103.07 104.44 2kvr h GLY 108 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2kvr h GLY 108 CO 0.07 0.00 -0.29 0.70 0.00 0.00 0.00 176.54 177.02 2kvr n ASN 109 N -2.95 1.65 -1.73 0.19 3.02 -1.03 -3.06 115.26 111.36 2kvr n ASN 109 Ca 0.01 -1.31 -0.06 0.00 -0.03 0.00 0.00 54.58 53.19 2kvr n ASN 109 Cb 0.28 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2kvr n LYS 110 N -0.12 0.16 -2.23 3.52 -0.00 -1.11 -5.02 118.16 113.36 2kvr n LYS 110 Ca 0.12 -1.07 -0.32 0.00 -0.00 0.00 0.00 58.31 57.04 2kvr n LYS 110 Cb 0.42 0.91 -0.01 0.00 -0.00 0.00 0.00 35.03 36.34 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 -2.47 4.22 -1.76 0.58 -4.23 -1.26 -1.43 115.64 109.29 2kvr s THR 111 Ca 0.13 1.05 0.28 0.00 -1.18 0.00 0.00 61.69 61.97 2kvr s THR 111 Cb 0.00 -3.58 0.45 0.00 1.34 0.00 0.00 72.50 70.72 2kvr s THR 111 CO 0.09 -0.63 1.82 1.15 -0.54 0.00 0.00 174.62 176.51 2kvr n MET 112 N -1.82 0.81 0.07 3.99 0.00 -1.07 -3.49 117.12 115.61 2kvr n MET 112 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 57.70 57.44 2kvr n MET 112 Cb 0.53 -1.49 0.30 0.00 0.00 0.00 0.00 33.22 32.56 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 0.80 1.23 -0.29 3.17 6.09 -1.75 -2.03 117.51 124.73 2kvr h ILE 113 Ca 0.00 -1.03 -0.06 0.00 -1.37 0.00 0.00 64.86 62.40 2kvr h ILE 113 Cb 0.38 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 2kvr h ILE 113 CO 0.00 0.32 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.03 2kvr h GLU 114 N 0.32 0.54 -0.20 2.19 5.08 -1.86 -1.65 114.58 118.99 2kvr h GLU 114 Ca 0.06 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 2kvr h GLU 114 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kvr h GLU 114 CO 0.03 0.72 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.26 2kvr h LEU 115 N 0.30 0.74 -1.60 1.33 3.38 -1.73 -2.92 115.31 114.82 2kvr h LEU 115 Ca 0.08 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2kvr h LEU 115 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kvr h LEU 115 CO 0.02 1.16 -0.21 0.77 0.09 0.00 0.00 178.44 180.27 2kvr h SER 116 N 0.35 0.00 -4.68 -0.43 4.64 -1.37 -3.47 113.55 108.60 2kvr h SER 116 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 2kvr h SER 116 Cb 1.04 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.24 2kvr h SER 116 CO 0.10 0.21 -0.53 -0.67 -0.87 0.00 0.00 176.83 175.06 2kvr n ASP 117 N -3.80 -5.46 -1.77 4.97 2.03 -0.64 -3.29 116.55 108.59 2kvr n ASP 117 Ca -0.02 -0.40 -0.13 0.00 0.52 0.00 0.00 54.79 54.76 2kvr n ASP 117 Cb 0.31 -4.10 0.01 0.00 -0.72 0.00 0.00 41.12 36.62 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 -2.03 -4.19 -4.41 1.67 5.03 -1.08 -5.04 115.26 105.21 2kvr n ASN 118 Ca -0.01 -0.13 -0.29 0.00 0.87 0.00 0.00 54.58 55.03 2kvr n ASN 118 Cb 0.56 -3.16 -0.13 0.00 -1.02 0.00 0.00 39.78 36.03 2kvr n ASN 118 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2kvr s GLU 119 N -5.06 1.46 -0.27 3.52 -1.05 -1.21 -5.15 118.70 110.95 2kvr s GLU 119 Ca 0.13 -1.36 -0.24 0.00 -0.15 0.00 0.00 54.97 53.35 2kvr s GLU 119 Cb -0.06 -1.91 0.07 0.00 -0.44 0.00 0.00 34.13 31.79 2kvr s GLU 119 CO 0.16 0.45 0.71 0.54 0.95 0.00 0.00 175.26 178.06 2kvr s ASN 120 N -2.17 -0.75 0.02 0.83 4.22 -1.26 -4.34 114.94 111.49 2kvr s ASN 120 Ca 0.15 1.43 -0.30 0.00 -2.14 0.00 0.00 52.86 52.01 2kvr s ASN 120 Cb -0.10 1.44 -0.04 0.00 1.28 0.00 0.00 41.25 43.83 2kvr s ASN 120 CO 0.07 -0.25 1.09 -2.16 -2.04 0.00 0.00 177.10 173.82 2kvr s PRO 121 N 0.46 4.48 -0.43 3.55 0.04 -1.26 -4.99 135.00 136.85 2kvr s PRO 121 Ca -0.01 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 2kvr s PRO 121 Cb -0.05 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.09 2kvr s PRO 121 CO -0.00 -0.18 0.70 -0.46 0.04 0.00 0.00 177.00 177.09 2kvr s TRP 122 N 1.17 3.05 0.11 0.56 -0.00 -0.68 -4.80 118.94 118.35 2kvr s TRP 122 Ca 0.55 0.09 -0.30 0.00 -0.00 0.00 0.00 56.10 56.44 2kvr s TRP 122 Cb -0.25 -3.44 -0.06 0.00 -0.00 0.00 0.00 33.47 29.72 2kvr s TRP 122 CO 0.28 -0.88 0.98 0.99 -0.00 0.00 0.00 176.95 178.32 2kvr s THR 123 N 2.98 4.43 0.02 5.86 2.01 -1.26 -0.44 115.64 129.24 2kvr s THR 123 Ca 0.26 2.01 -0.21 0.00 0.31 0.00 0.00 61.69 64.06 2kvr s THR 123 Cb -0.13 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.13 2kvr s THR 123 CO 0.20 0.31 0.46 -0.63 -0.69 0.00 0.00 174.62 174.27 2kvr s ILE 124 N 0.02 0.04 -0.08 1.82 1.01 0.42 -2.58 121.20 121.85 2kvr s ILE 124 Ca 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 2kvr s ILE 124 Cb -0.24 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2kvr s ILE 124 CO 0.30 -0.18 -0.00 0.12 0.00 0.00 0.00 174.94 175.18 2kvr s PHE 125 N -2.05 3.14 -0.19 3.97 5.36 -0.21 -2.73 117.98 125.28 2kvr s PHE 125 Ca -0.08 0.17 -0.18 0.00 -0.96 0.00 0.00 56.93 55.89 2kvr s PHE 125 Cb -0.01 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.86 2kvr s PHE 125 CO 0.01 0.46 0.48 -1.17 -1.46 0.00 0.00 175.22 173.54 2kvr s LEU 126 N -0.95 4.17 0.16 6.12 0.20 -0.54 -1.77 118.68 126.06 2kvr s LEU 126 Ca 0.14 0.66 0.08 0.00 0.69 0.00 0.00 54.13 55.70 2kvr s LEU 126 Cb -0.11 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.95 2kvr s LEU 126 CO 0.03 -0.13 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.17 2kvr s GLU 127 N 1.39 2.10 0.00 1.98 2.56 -0.34 -4.78 118.70 121.61 2kvr s GLU 127 Ca 0.23 -1.18 0.16 0.00 0.00 0.00 0.00 54.97 54.18 2kvr s GLU 127 Cb -0.15 -2.22 0.12 0.00 2.00 0.00 0.00 34.13 33.88 2kvr s GLU 127 CO 0.09 0.46 0.99 2.41 -0.56 0.00 0.00 175.26 178.65