#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr h GLN 2 N 0.00 0.00 -0.00 -0.52 4.20 -2.05 -3.03 115.11 113.71 2kvr h GLN 2 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kvr h GLN 2 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2kvr h GLN 2 CO 0.00 0.31 0.00 -0.56 -0.67 0.00 0.00 178.83 177.91 2kvr h GLN 3 N 0.00 0.00 0.08 1.46 3.07 -2.05 -0.57 115.11 117.10 2kvr h GLN 3 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 2kvr h GLN 3 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 2kvr h GLN 3 CO 0.04 0.00 -0.04 -0.07 0.09 0.00 0.00 178.83 178.85 2kvr h LEU 4 N 0.00 -0.10 0.00 0.06 3.38 -1.97 -1.62 115.31 115.06 2kvr h LEU 4 Ca 0.00 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2kvr h LEU 4 Cb 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2kvr h LEU 4 CO -0.00 -0.01 -0.89 1.62 0.09 0.00 0.00 178.44 179.26 2kvr h VAL 5 N -0.18 1.30 -0.22 1.22 3.04 -1.71 -3.21 116.25 116.49 2kvr h VAL 5 Ca -0.01 -2.88 -0.03 0.00 -1.01 0.00 0.00 66.70 62.77 2kvr h VAL 5 Cb 0.14 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 2kvr h VAL 5 CO 0.02 0.74 0.03 -0.08 -1.01 0.00 0.00 177.57 177.27 2kvr h GLU 6 N 0.00 0.37 -0.37 4.17 4.81 -0.99 0.61 114.58 123.19 2kvr h GLU 6 Ca -0.03 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 2kvr h GLU 6 Cb 1.64 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 2kvr h GLU 6 CO 0.10 0.52 -0.16 0.07 -0.73 0.00 0.00 179.01 178.81 2kvr h ARG 7 N 0.17 0.68 -0.90 1.92 0.11 -1.45 -1.81 114.38 113.10 2kvr h ARG 7 Ca 0.07 -0.23 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 2kvr h ARG 7 Cb 0.33 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.32 2kvr h ARG 7 CO 0.01 0.80 0.51 1.25 0.10 0.00 0.00 179.97 182.64 2kvr h LEU 8 N 0.61 1.10 -0.06 0.08 6.46 -1.43 -0.64 115.31 121.43 2kvr h LEU 8 Ca 0.10 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2kvr h LEU 8 Cb 0.61 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2kvr h LEU 8 CO 0.04 0.87 -0.09 1.56 -0.62 0.00 0.00 178.44 180.20 2kvr h GLN 9 N 1.24 0.17 -0.22 1.25 4.20 -0.71 0.67 115.11 121.72 2kvr h GLN 9 Ca 0.32 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.98 2kvr h GLN 9 Cb -0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2kvr h GLN 9 CO -0.05 0.66 0.16 1.49 -0.67 0.00 0.00 178.83 180.41 2kvr h GLU 10 N -0.30 0.04 0.13 1.46 4.57 -1.13 -2.46 114.58 116.89 2kvr h GLU 10 Ca 0.01 -0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2kvr h GLU 10 Cb 0.64 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2kvr h GLU 10 CO 0.02 0.03 -1.76 0.93 -1.18 0.00 0.00 179.01 177.05 2kvr h GLU 11 N 0.05 0.27 0.00 1.92 5.08 -1.07 -3.40 114.58 117.42 2kvr h GLU 11 Ca 0.10 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2kvr h GLU 11 Cb 0.36 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2kvr h GLU 11 CO -0.01 1.22 0.00 1.57 -1.00 0.00 0.00 179.01 180.79 2kvr h LYS 12 N -0.09 0.00 0.00 2.33 2.10 -0.40 -3.01 116.57 117.50 2kvr h LYS 12 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2kvr h LYS 12 Cb 1.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.26 2kvr h LYS 12 CO 0.07 0.00 0.03 2.89 -2.00 0.00 0.00 179.45 180.44 2kvr n ARG 13 N -2.82 0.00 0.00 0.07 -4.01 -1.06 -1.91 116.66 106.94 2kvr n ARG 13 Ca 0.02 0.47 0.07 0.00 -1.04 0.00 0.00 57.85 57.37 2kvr n ARG 13 Cb 0.31 -1.54 0.36 0.00 -3.04 0.00 0.00 32.46 28.55 2kvr n ARG 13 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 2kvr n ILE 14 N -1.49 0.48 0.18 8.89 -0.00 -1.14 -3.88 119.36 122.41 2kvr n ILE 14 Ca -0.00 0.12 0.09 0.00 -0.00 0.00 0.00 62.75 62.96 2kvr n ILE 14 Cb 0.03 -0.90 0.46 0.00 -0.00 0.00 0.00 39.64 39.23 2kvr n ILE 14 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2kvr h GLU 15 N 0.00 0.00 -0.61 6.28 5.08 -1.69 0.52 114.58 124.16 2kvr h GLU 15 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2kvr h GLU 15 Cb 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2kvr h GLU 15 CO 0.00 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.34 2kvr h ALA 16 N 1.39 0.81 0.09 3.43 0.00 -1.88 -1.33 119.26 121.77 2kvr h ALA 16 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 2kvr h ALA 16 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kvr h ALA 16 CO 0.00 -0.01 -1.21 1.96 0.00 0.00 0.00 179.25 179.99 2kvr h GLN 17 N 0.61 0.19 -0.60 0.00 1.08 -1.26 -3.39 115.11 111.73 2kvr h GLN 17 Ca 0.27 -0.32 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2kvr h GLN 17 Cb 0.18 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 2kvr h GLN 17 CO -0.18 1.15 0.40 -0.22 -0.95 0.00 0.00 178.83 179.03 2kvr h LYS 18 N -0.47 0.65 0.00 1.46 1.63 -1.38 -1.62 116.57 116.84 2kvr h LYS 18 Ca -0.27 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2kvr h LYS 18 Cb 1.62 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 2kvr h LYS 18 CO 0.02 0.43 0.00 0.54 -3.45 0.00 0.00 179.45 176.99 2kvr n ARG 19 N -4.47 0.09 -2.22 1.90 1.74 -0.50 -3.05 116.66 110.15 2kvr n ARG 19 Ca 0.08 0.23 -0.39 0.00 -0.77 0.00 0.00 57.85 57.00 2kvr n ARG 19 Cb 0.17 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 29.97 2kvr n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kvr n LYS 20 N -1.82 4.36 -1.97 5.56 5.02 -0.61 -4.98 118.16 123.73 2kvr n LYS 20 Ca 0.04 -3.91 -0.06 0.00 -2.02 0.00 0.00 58.31 52.37 2kvr n LYS 20 Cb 0.27 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 2kvr n LYS 20 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2kvr n GLU 21 N 0.33 1.30 -3.75 1.97 0.00 -1.17 -5.05 120.64 114.26 2kvr n GLU 21 Ca 0.52 -0.74 -0.12 0.00 0.00 0.00 0.00 57.16 56.82 2kvr n GLU 21 Cb 0.28 0.07 -0.12 0.00 0.00 0.00 0.00 31.44 31.67 2kvr n GLU 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2kvr s ARG 22 N -2.49 0.27 0.25 3.44 3.52 -1.26 -5.08 118.95 117.61 2kvr s ARG 22 Ca 0.07 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.12 2kvr s ARG 22 Cb -0.01 0.01 0.48 0.00 -1.56 0.00 0.00 34.95 33.88 2kvr s ARG 22 CO 0.04 -0.11 1.74 1.96 -0.81 0.00 0.00 175.30 178.13 2kvr h GLN 23 N 6.54 0.49 -4.22 5.12 7.50 -2.01 -3.30 115.11 125.23 2kvr h GLN 23 Ca -0.34 -0.03 -0.60 0.00 0.50 0.00 0.00 58.65 58.18 2kvr h GLN 23 Cb 1.17 -0.11 -0.39 0.00 0.05 0.00 0.00 27.48 28.21 2kvr h GLN 23 CO 0.35 0.33 -0.77 -2.00 -1.50 0.00 0.00 178.83 175.23 2kvr s GLU 24 N -6.00 1.42 0.00 1.46 2.12 -1.26 -4.97 118.70 111.46 2kvr s GLU 24 Ca -0.12 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.16 2kvr s GLU 24 Cb 0.21 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2kvr s GLU 24 CO 0.77 -0.69 0.00 0.00 -0.54 0.00 0.00 175.26 174.80 2kvr n ALA 25 N 4.68 0.00 1.17 6.30 0.00 -1.25 -5.03 120.51 126.38 2kvr n ALA 25 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kvr n ALA 25 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 1.41 0.00 1.44 -1.26 -3.55 115.22 113.26 2kvr n HIS 26 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 2kvr n HIS 26 Cb 0.00 -0.02 0.03 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.33 0.74 -0.90 2.39 7.99 -1.26 -4.57 117.00 121.06 2kvr n LEU 27 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 56.01 55.63 2kvr n LEU 27 Cb 0.04 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 2kvr n LEU 27 CO 0.00 0.16 0.01 -1.22 -1.51 0.00 0.00 177.39 174.83 2kvr n TYR 28 N -0.18 0.00 -1.28 -1.77 4.02 -1.23 -1.07 117.16 115.66 2kvr n TYR 28 Ca 0.02 -0.01 -0.48 0.00 -0.01 0.00 0.00 57.90 57.42 2kvr n TYR 28 Cb 0.16 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 2kvr n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvr n MET 29 N 0.89 0.00 -2.87 -0.72 0.00 0.17 -2.54 117.12 112.05 2kvr n MET 29 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 2kvr n MET 29 Cb 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 33.22 32.03 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 -0.29 4.02 -0.25 3.17 -0.21 -1.26 -1.12 119.66 123.72 2kvr s GLN 30 Ca 0.71 0.75 -0.09 0.00 0.02 0.00 0.00 55.36 56.75 2kvr s GLN 30 Cb -1.01 -3.72 -0.04 0.00 1.00 0.00 0.00 33.01 29.25 2kvr s GLN 30 CO 0.49 -0.70 0.13 0.54 -2.12 0.00 0.00 175.29 173.64 2kvr s VAL 31 N 3.08 4.96 -0.33 1.09 0.11 -0.73 -1.63 120.40 126.95 2kvr s VAL 31 Ca 0.36 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 59.17 2kvr s VAL 31 Cb -0.14 -3.32 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 2kvr s VAL 31 CO 0.12 0.33 1.03 -1.10 -3.33 0.00 0.00 175.10 172.16 2kvr s GLN 32 N 1.32 4.01 0.00 1.54 -0.21 0.51 -2.23 119.66 124.60 2kvr s GLN 32 Ca 0.06 0.93 0.08 0.00 0.02 0.00 0.00 55.36 56.45 2kvr s GLN 32 Cb -0.15 -3.75 -0.02 0.00 1.00 0.00 0.00 33.01 30.09 2kvr s GLN 32 CO 0.06 -0.92 -0.23 0.42 -2.12 0.00 0.00 175.29 172.50 2kvr s ILE 33 N 3.61 1.86 -0.10 1.08 -1.09 -0.91 -0.54 121.20 125.11 2kvr s ILE 33 Ca 0.43 -1.09 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 2kvr s ILE 33 Cb -0.12 -1.56 0.03 0.00 -1.58 0.00 0.00 42.46 39.23 2kvr s ILE 33 CO 0.16 0.45 -0.02 0.68 -1.23 0.00 0.00 174.94 174.98 2kvr s VAL 34 N -0.62 0.61 0.52 2.92 -7.23 -1.16 -1.62 120.40 113.82 2kvr s VAL 34 Ca 0.09 -0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2kvr s VAL 34 Cb -0.09 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 36.13 2kvr s VAL 34 CO -0.00 0.26 0.73 0.00 -0.31 0.00 0.00 175.10 175.78 2kvr s ALA 35 N 1.87 3.97 -0.15 1.32 0.00 -1.26 -1.61 121.76 125.90 2kvr s ALA 35 Ca 0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 2kvr s ALA 35 Cb -0.13 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.01 2kvr s ALA 35 CO -0.06 -0.64 0.39 -2.00 0.00 0.00 0.00 175.76 173.44 2kvr s GLU 36 N -4.68 0.43 0.57 0.00 2.12 -0.71 -4.29 118.70 112.14 2kvr s GLU 36 Ca 0.56 0.59 0.33 0.00 0.36 0.00 0.00 54.97 56.81 2kvr s GLU 36 Cb -0.10 0.16 1.45 0.00 0.26 0.00 0.00 34.13 35.90 2kvr s GLU 36 CO 0.38 -0.08 1.77 0.38 -0.54 0.00 0.00 175.26 177.17 2kvr h ASP 37 N 5.93 0.00 -0.74 -1.70 2.03 -1.53 -0.40 116.42 120.01 2kvr h ASP 37 Ca -0.29 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 56.13 2kvr h ASP 37 Cb 1.18 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.60 2kvr h ASP 37 CO 0.27 0.00 0.33 -0.61 -1.03 0.00 0.00 179.24 178.20 2kvr h GLN 38 N 0.00 0.49 0.00 4.15 5.75 -1.96 -2.63 115.11 120.92 2kvr h GLN 38 Ca 0.45 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 2kvr h GLN 38 Cb 2.01 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 30.45 2kvr h GLN 38 CO -0.00 0.33 -0.21 0.74 -2.65 0.00 0.00 178.83 177.03 2kvr h PHE 39 N 0.51 0.00 -3.13 3.99 0.04 -1.52 -3.46 116.94 113.37 2kvr h PHE 39 Ca 0.39 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.68 2kvr h PHE 39 Cb 0.53 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.28 2kvr h PHE 39 CO -0.14 0.12 -0.75 0.00 -0.60 0.00 0.00 178.31 176.93 2kvr n GLY 41 N 5.20 0.76 1.65 0.00 0.00 -0.99 -3.43 105.19 108.38 2kvr n GLY 41 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2kvr n GLY 41 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kvr n HIS 42 N -0.79 -0.69 -0.11 1.61 1.44 -1.26 -4.75 115.22 110.67 2kvr n HIS 42 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 2kvr n HIS 42 Cb 0.00 -1.94 -0.10 0.00 0.12 0.00 0.00 29.99 28.07 2kvr n HIS 42 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kvr n GLN 43 N -1.59 0.55 0.00 -1.40 10.64 -1.26 -5.01 117.38 119.31 2kvr n GLN 43 Ca -0.08 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2kvr n GLN 43 Cb 0.28 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kvr n GLY 44 N 2.30 1.57 3.64 2.61 0.00 -1.26 -4.90 105.19 109.15 2kvr n GLY 44 Ca -0.40 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 6.44 -1.21 1.61 -0.87 -1.26 -4.95 114.94 114.71 2kvr s ASN 45 Ca 0.00 1.95 -0.12 0.00 -1.57 0.00 0.00 52.86 53.12 2kvr s ASN 45 Cb 0.00 -2.53 0.19 0.00 -0.02 0.00 0.00 41.25 38.89 2kvr s ASN 45 CO 0.00 -1.15 1.45 -0.67 -2.57 0.00 0.00 177.10 174.16 2kvr n ASP 46 N 8.06 5.27 -3.29 -1.22 2.03 -1.26 -4.81 116.55 121.33 2kvr n ASP 46 Ca 0.19 -3.01 0.03 0.00 0.52 0.00 0.00 54.79 52.52 2kvr n ASP 46 Cb 0.44 -1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 39.27 2kvr n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kvr s MET 47 N 0.98 0.22 -0.97 -0.67 0.23 -1.26 -4.99 119.30 112.83 2kvr s MET 47 Ca 0.41 0.51 -0.13 0.00 -1.03 0.00 0.00 55.69 55.45 2kvr s MET 47 Cb -0.02 0.30 0.01 0.00 -1.53 0.00 0.00 34.83 33.59 2kvr s MET 47 CO -0.01 -0.12 0.69 0.98 -2.03 0.00 0.00 175.02 174.53 2kvr n TYR 48 N 5.02 -2.02 -2.31 3.16 4.19 -1.26 -4.83 117.16 119.11 2kvr n TYR 48 Ca -0.08 0.63 -0.42 0.00 3.31 0.00 0.00 57.90 61.34 2kvr n TYR 48 Cb 0.53 -3.16 -0.02 0.00 0.49 0.00 0.00 39.34 37.18 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 -3.22 6.12 0.33 2.98 1.01 -1.26 -4.86 116.67 117.76 2kvr s ASP 49 Ca 0.23 0.61 0.26 0.00 0.71 0.00 0.00 52.55 54.37 2kvr s ASP 49 Cb -0.10 -2.54 1.01 0.00 1.01 0.00 0.00 42.92 42.30 2kvr s ASP 49 CO 0.88 -1.65 1.78 -0.33 0.21 0.00 0.00 175.17 176.06 2kvr h GLU 50 N 11.42 0.00 -0.00 8.23 5.08 -1.95 0.38 114.58 137.74 2kvr h GLU 50 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2kvr h GLU 50 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kvr h GLU 50 CO 1.13 0.00 -0.22 0.39 -1.00 0.00 0.00 179.01 179.31 2kvr n GLU 51 N -2.49 0.42 -0.09 2.33 -0.58 -1.26 -4.17 120.64 114.81 2kvr n GLU 51 Ca 0.02 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2kvr n GLU 51 Cb 0.30 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.67 2kvr n GLU 51 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kvr n LYS 52 N -1.13 0.51 -1.27 3.49 4.76 -0.10 -1.73 118.16 122.68 2kvr n LYS 52 Ca 0.11 -0.82 -0.32 0.00 -2.87 0.00 0.00 58.31 54.40 2kvr n LYS 52 Cb 0.31 -0.62 0.10 0.00 -1.84 0.00 0.00 35.03 32.99 2kvr n LYS 52 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2kvr s VAL 53 N -0.27 2.84 0.04 -0.18 -7.23 0.11 -4.90 120.40 110.81 2kvr s VAL 53 Ca 0.01 0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 60.50 2kvr s VAL 53 Cb 0.01 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2kvr s VAL 53 CO 0.00 -0.31 0.05 0.29 -0.31 0.00 0.00 175.10 174.82 2kvr n LYS 54 N -3.30 -0.43 -1.54 4.82 4.01 -1.26 -4.62 118.16 115.84 2kvr n LYS 54 Ca 0.11 -0.08 -0.30 0.00 -0.51 0.00 0.00 58.31 57.53 2kvr n LYS 54 Cb 0.52 -0.06 -0.07 0.00 -0.51 0.00 0.00 35.03 34.91 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2kvr n TYR 55 N -2.26 1.16 -2.61 2.13 4.01 -1.26 -4.76 117.16 113.57 2kvr n TYR 55 Ca 0.01 0.11 -0.36 0.00 -0.16 0.00 0.00 57.90 57.50 2kvr n TYR 55 Cb 0.02 -2.47 -0.05 0.00 -0.31 0.00 0.00 39.34 36.54 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 11.78 3.87 -0.46 -0.72 -1.32 -0.64 -4.79 115.64 123.35 2kvr s THR 56 Ca 1.04 1.40 -0.09 0.00 -1.21 0.00 0.00 61.69 62.83 2kvr s THR 56 Cb -0.35 -3.70 0.11 0.00 -1.51 0.00 0.00 72.50 67.05 2kvr s THR 56 CO 0.26 -0.02 0.32 -0.69 -2.21 0.00 0.00 174.62 172.28 2kvr s VAL 57 N -1.73 4.13 -0.58 5.08 1.01 -1.26 -2.15 120.40 124.89 2kvr s VAL 57 Ca 0.58 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 2kvr s VAL 57 Cb -0.20 -3.70 0.15 0.00 0.00 0.00 0.00 36.38 32.64 2kvr s VAL 57 CO 0.25 -0.72 0.49 -0.36 0.00 0.00 0.00 175.10 174.75 2kvr s PHE 58 N 1.35 3.45 -0.51 5.22 0.08 -0.95 -4.90 117.98 121.72 2kvr s PHE 58 Ca 0.05 -1.84 -0.28 0.00 0.12 0.00 0.00 56.93 54.98 2kvr s PHE 58 Cb -0.25 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 2kvr s PHE 58 CO -0.01 -0.98 1.52 -1.59 -0.10 0.00 0.00 175.22 174.06 2kvr s LYS 59 N 1.00 3.27 0.07 0.44 0.00 -1.26 -1.77 119.74 121.50 2kvr s LYS 59 Ca 0.09 0.68 0.03 0.00 0.00 0.00 0.00 55.97 56.76 2kvr s LYS 59 Cb -0.23 -4.15 -0.03 0.00 0.00 0.00 0.00 37.83 33.42 2kvr s LYS 59 CO -0.02 -1.96 -0.09 0.14 0.00 0.00 0.00 175.35 173.42 2kvr s VAL 60 N 6.42 0.75 -0.16 1.79 -7.23 -0.27 -4.86 120.40 116.84 2kvr s VAL 60 Ca 0.59 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 2kvr s VAL 60 Cb -0.13 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 2kvr s VAL 60 CO 0.27 -0.53 1.39 -0.76 -0.31 0.00 0.00 175.10 175.16 2kvr s LEU 61 N -2.19 4.16 0.36 1.32 2.01 -1.25 -0.66 118.68 122.42 2kvr s LEU 61 Ca 0.00 1.76 0.10 0.00 0.01 0.00 0.00 54.13 56.00 2kvr s LEU 61 Cb -0.04 -3.54 0.67 0.00 0.01 0.00 0.00 46.19 43.29 2kvr s LEU 61 CO -0.01 -0.88 1.83 0.07 1.01 0.00 0.00 176.35 178.37 2kvr h LYS 62 N 8.87 0.17 0.00 1.70 2.10 -1.45 -2.11 116.57 125.85 2kvr h LYS 62 Ca -0.30 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2kvr h LYS 62 Cb 1.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2kvr h LYS 62 CO 0.98 0.44 0.00 0.27 -2.00 0.00 0.00 179.45 179.14 2kvr n ASN 63 N -4.15 0.00 -4.91 7.07 6.94 -1.26 -0.95 115.26 117.99 2kvr n ASN 63 Ca -0.01 0.20 -0.27 0.00 -0.02 0.00 0.00 54.58 54.48 2kvr n ASN 63 Cb 0.37 -0.39 0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2kvr s SER 64 N -2.77 6.12 0.65 0.53 0.15 -0.79 -4.90 113.70 112.68 2kvr s SER 64 Ca 0.18 0.83 -0.15 0.00 0.70 0.00 0.00 55.95 57.50 2kvr s SER 64 Cb 0.16 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2kvr s SER 64 CO 0.41 -0.66 1.10 -0.94 1.20 0.00 0.00 173.24 174.35 2kvr s SER 65 N -4.15 5.21 0.36 5.45 1.04 -1.26 -1.92 113.70 118.43 2kvr s SER 65 Ca 0.48 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.97 2kvr s SER 65 Cb -0.10 -2.55 0.68 0.00 0.10 0.00 0.00 66.02 64.14 2kvr s SER 65 CO 0.44 -1.56 1.85 0.25 0.98 0.00 0.00 173.24 175.20 2kvr h LEU 66 N 0.10 0.24 -1.72 2.42 7.12 -1.42 -2.66 115.31 119.39 2kvr h LEU 66 Ca -0.47 -0.06 0.06 0.00 0.13 0.00 0.00 57.88 57.54 2kvr h LEU 66 Cb 1.24 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 2kvr h LEU 66 CO 0.55 0.47 0.30 0.00 -0.13 0.00 0.00 178.44 179.62 2kvr h ALA 67 N 1.56 1.98 -0.57 1.25 0.00 -1.76 0.73 119.26 122.45 2kvr h ALA 67 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2kvr h ALA 67 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kvr h ALA 67 CO 0.03 -0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.14 2kvr h GLU 68 N 0.34 1.01 -0.15 0.00 4.39 -1.83 -2.10 114.58 116.24 2kvr h GLU 68 Ca 0.19 -0.33 -0.15 0.00 0.34 0.00 0.00 59.36 59.41 2kvr h GLU 68 Cb 0.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2kvr h GLU 68 CO -0.04 1.01 -0.54 0.35 -1.16 0.00 0.00 179.01 178.63 2kvr h PHE 69 N 0.90 0.55 -0.05 4.33 3.57 -1.23 -2.81 116.94 122.19 2kvr h PHE 69 Ca 0.16 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2kvr h PHE 69 Cb 0.57 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2kvr h PHE 69 CO 0.04 0.88 0.02 0.28 -2.23 0.00 0.00 178.31 177.31 2kvr h VAL 70 N 0.34 1.12 -0.21 1.41 2.07 -0.77 -0.28 116.25 119.92 2kvr h VAL 70 Ca 0.01 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2kvr h VAL 70 Cb 1.06 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2kvr h VAL 70 CO 0.10 0.10 -0.22 0.06 0.02 0.00 0.00 177.57 177.63 2kvr h GLN 71 N -0.06 0.39 -0.09 1.57 3.07 -1.45 0.31 115.11 118.84 2kvr h GLN 71 Ca 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 58.65 58.63 2kvr h GLN 71 Cb 0.14 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.66 2kvr h GLN 71 CO -0.00 0.59 0.05 0.77 0.09 0.00 0.00 178.83 180.33 2kvr h SER 72 N 0.35 0.12 0.33 0.06 0.02 -1.28 -2.65 113.55 110.49 2kvr h SER 72 Ca 0.06 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 2kvr h SER 72 Cb 0.58 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2kvr h SER 72 CO 0.04 0.17 -0.40 0.25 -1.14 0.00 0.00 176.83 175.75 2kvr h LEU 73 N 0.06 0.11 -0.54 5.07 6.46 -0.61 -2.19 115.31 123.67 2kvr h LEU 73 Ca 0.03 -0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2kvr h LEU 73 Cb 0.08 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2kvr h LEU 73 CO -0.01 0.50 -0.00 -1.28 -0.62 0.00 0.00 178.44 177.03 2kvr h SER 74 N 0.09 0.93 1.05 1.25 0.87 -0.87 -2.31 113.55 114.57 2kvr h SER 74 Ca 0.01 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2kvr h SER 74 Cb 0.75 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2kvr h SER 74 CO 0.06 1.02 -0.53 1.56 -0.53 0.00 0.00 176.83 178.40 2kvr h GLN 75 N 0.83 0.00 0.00 2.24 1.08 -1.20 -0.78 115.11 117.28 2kvr h GLN 75 Ca 0.15 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 2kvr h GLN 75 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2kvr h GLN 75 CO 0.03 0.00 -1.57 -2.37 -0.95 0.00 0.00 178.83 173.97 2kvr n THR 76 N -2.27 0.55 0.00 -0.54 5.66 -0.85 -4.63 114.28 112.21 2kvr n THR 76 Ca 0.03 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 2kvr n THR 76 Cb 0.46 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2kvr n THR 76 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kvr n MET 77 N -2.56 2.31 -0.22 1.09 2.81 -0.88 -5.04 117.12 114.63 2kvr n MET 77 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2kvr n MET 77 Cb 0.66 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 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 2.28 0.76 3.74 3.03 0.00 -0.30 -4.99 105.19 109.71 2kvr n GLY 78 Ca 0.00 0.00 -0.41 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 -2.20 3.25 0.07 1.61 0.40 -1.24 -4.96 117.98 114.91 2kvr s PHE 79 Ca 0.00 1.22 -0.31 0.00 -0.60 0.00 0.00 56.93 57.24 2kvr s PHE 79 Cb 0.00 -3.60 -0.09 0.00 0.51 0.00 0.00 43.02 39.84 2kvr s PHE 79 CO 0.00 -1.89 1.75 -1.25 0.70 0.00 0.00 175.22 174.54 2kvr s PRO 80 N -0.11 4.17 0.48 0.24 0.04 -1.26 -4.25 135.00 134.31 2kvr s PRO 80 Ca 0.57 2.44 0.15 0.00 0.04 0.00 0.00 61.00 64.20 2kvr s PRO 80 Cb -0.36 -3.70 1.11 0.00 0.04 0.00 0.00 34.50 31.58 2kvr s PRO 80 CO 0.38 -0.81 2.06 -0.56 0.04 0.00 0.00 177.00 178.11 2kvr h GLN 81 N 8.80 0.01 -0.18 4.56 3.07 -1.92 -0.49 115.11 128.96 2kvr h GLN 81 Ca -0.44 -0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.35 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 0.11 0.14 0.22 0.09 0.00 0.00 178.83 180.33 2kvr h ASP 82 N 0.01 0.00 0.00 0.06 3.58 -1.96 -3.24 116.42 114.87 2kvr h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kvr h ASP 82 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kvr h ASP 82 CO 0.01 0.00 -0.05 1.67 -2.88 0.00 0.00 179.24 178.00 2kvr n GLN 83 N -4.36 1.56 -2.02 0.28 7.27 -0.31 -5.03 117.38 114.78 2kvr n GLN 83 Ca 0.01 -1.31 -0.43 0.00 0.07 0.00 0.00 57.00 55.34 2kvr n GLN 83 Cb 0.27 -0.88 -0.03 0.00 2.41 0.00 0.00 30.24 32.02 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 -0.88 3.53 -0.23 1.69 1.01 -0.52 -4.54 121.20 121.27 2kvr s ILE 84 Ca 0.05 0.58 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 2kvr s ILE 84 Cb 0.04 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 2kvr s ILE 84 CO 0.00 -0.32 0.03 -0.13 0.00 0.00 0.00 174.94 174.52 2kvr s ARG 85 N 5.19 3.61 -0.06 2.79 0.52 -0.70 -5.00 118.95 125.31 2kvr s ARG 85 Ca 0.77 -0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 55.34 2kvr s ARG 85 Cb -0.25 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 2kvr s ARG 85 CO 0.32 -0.12 0.35 -0.51 0.02 0.00 0.00 175.30 175.36 2kvr s LEU 86 N 1.39 4.41 -0.18 2.53 1.02 -1.26 -1.06 118.68 125.52 2kvr s LEU 86 Ca 0.05 0.80 0.01 0.00 0.02 0.00 0.00 54.13 55.00 2kvr s LEU 86 Cb -0.15 -2.48 0.02 0.00 0.02 0.00 0.00 46.19 43.60 2kvr s LEU 86 CO 0.02 0.27 -0.18 0.26 0.02 0.00 0.00 176.35 176.74 2kvr s TRP 87 N -0.66 2.80 0.90 0.29 0.52 -0.76 -1.23 118.94 120.79 2kvr s TRP 87 Ca 0.21 -1.58 -0.11 0.00 0.02 0.00 0.00 56.10 54.64 2kvr s TRP 87 Cb -0.15 -1.94 0.13 0.00 -1.15 0.00 0.00 33.47 30.36 2kvr s TRP 87 CO 0.10 -0.78 1.09 -1.25 0.02 0.00 0.00 176.95 176.13 2kvr s PRO 88 N 1.31 1.24 0.41 4.98 0.04 -1.26 -0.98 135.00 140.74 2kvr s PRO 88 Ca 0.05 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 2kvr s PRO 88 Cb -0.13 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 2kvr s PRO 88 CO -0.12 -2.29 1.09 0.00 0.04 0.00 0.00 177.00 175.72 2kvr n MET 89 N -3.93 1.53 -3.66 4.56 0.00 -0.30 -4.76 117.12 110.55 2kvr n MET 89 Ca 0.08 0.54 -0.18 0.00 0.00 0.00 0.00 57.70 58.14 2kvr n MET 89 Cb 0.54 -2.12 -0.16 0.00 0.00 0.00 0.00 33.22 31.48 2kvr n MET 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kvr s GLN 90 N -2.02 0.01 -0.96 3.17 2.00 -1.26 -5.08 119.66 115.52 2kvr s GLN 90 Ca 0.62 0.50 -0.24 0.00 -2.00 0.00 0.00 55.36 54.24 2kvr s GLN 90 Cb -0.56 -0.38 0.00 0.00 0.80 0.00 0.00 33.01 32.88 2kvr s GLN 90 CO 0.57 -0.33 1.68 0.00 -0.50 0.00 0.00 175.29 176.72 2kvr s ALA 91 N 2.26 2.21 0.54 1.58 0.00 -1.26 -4.84 121.76 122.26 2kvr s ALA 91 Ca 0.04 -1.89 0.42 0.00 0.00 0.00 0.00 51.96 50.53 2kvr s ALA 91 Cb -0.12 -4.54 2.19 0.00 0.00 0.00 0.00 23.12 20.65 2kvr s ALA 91 CO -0.05 -4.18 2.29 -0.09 0.00 0.00 0.00 175.76 173.72 2kvr h ARG 92 N 10.54 0.00 -2.59 0.00 2.43 -2.02 -2.90 114.38 119.84 2kvr h ARG 92 Ca 0.14 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.63 2kvr h ARG 92 Cb 1.01 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.19 2kvr h ARG 92 CO 1.32 0.00 -0.06 -1.13 -1.51 0.00 0.00 179.97 178.59 2kvr n SER 93 N -3.09 4.72 -3.90 -3.80 3.41 -1.26 -5.03 113.62 104.67 2kvr n SER 93 Ca -0.02 -3.40 -0.11 0.00 -0.26 0.00 0.00 58.87 55.09 2kvr n SER 93 Cb 0.12 -0.92 -0.10 0.00 -0.26 0.00 0.00 64.21 63.05 2kvr n SER 93 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kvr s ASN 94 N -1.96 0.08 0.03 4.04 2.47 -1.10 -5.10 114.94 113.39 2kvr s ASN 94 Ca 0.35 -0.27 -0.29 0.00 0.42 0.00 0.00 52.86 53.06 2kvr s ASN 94 Cb 0.09 0.18 -0.17 0.00 -1.45 0.00 0.00 41.25 39.90 2kvr s ASN 94 CO 0.01 -0.35 1.26 1.23 -3.72 0.00 0.00 177.10 175.53 2kvr h GLY 95 N 4.38 -1.04 -7.38 1.21 0.00 -1.96 -3.39 103.07 94.88 2kvr h GLY 95 Ca -0.31 0.39 -0.75 0.00 0.00 0.00 0.00 47.33 46.66 2kvr h GLY 95 CO 0.41 -0.38 -0.24 -1.59 0.00 0.00 0.00 176.54 174.74 2kvr s THR 96 N -5.06 4.73 0.19 4.70 2.01 -1.26 -5.03 115.64 115.92 2kvr s THR 96 Ca -0.16 -1.98 -0.23 0.00 0.31 0.00 0.00 61.69 59.63 2kvr s THR 96 Cb 0.02 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.54 2kvr s THR 96 CO 0.49 -0.87 0.69 -1.59 -0.69 0.00 0.00 174.62 172.65 2kvr s LYS 97 N 1.02 1.41 -0.28 4.92 0.00 -1.26 -5.10 119.74 120.45 2kvr s LYS 97 Ca 0.09 -0.65 0.01 0.00 0.00 0.00 0.00 55.97 55.42 2kvr s LYS 97 Cb -0.23 0.57 0.18 0.00 0.00 0.00 0.00 37.83 38.34 2kvr s LYS 97 CO -0.02 -0.63 0.52 -0.98 0.00 0.00 0.00 175.35 174.24 2kvr s ARG 98 N -3.73 0.50 -0.05 1.78 1.70 -1.26 -5.11 118.95 112.78 2kvr s ARG 98 Ca 0.06 0.67 -0.30 0.00 -0.47 0.00 0.00 55.73 55.69 2kvr s ARG 98 Cb -0.03 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 2kvr s ARG 98 CO -0.05 -0.78 1.42 -1.25 -1.08 0.00 0.00 175.30 173.56 2kvr s PRO 99 N 2.74 4.25 0.14 3.89 0.04 -1.26 -5.00 135.00 139.80 2kvr s PRO 99 Ca 0.15 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 2kvr s PRO 99 Cb -0.14 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.72 2kvr s PRO 99 CO -0.22 -0.65 0.35 0.00 0.04 0.00 0.00 177.00 176.51 2kvr s ALA 100 N 2.96 -0.60 0.73 8.56 0.00 -1.26 -5.17 121.76 126.98 2kvr s ALA 100 Ca 0.64 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 2kvr s ALA 100 Cb -0.30 0.70 0.09 0.00 0.00 0.00 0.00 23.12 23.61 2kvr s ALA 100 CO 0.25 -0.64 1.03 0.00 0.00 0.00 0.00 175.76 176.39 2kvr s MET 101 N -3.86 1.95 0.28 0.00 0.23 -1.26 -4.20 119.30 112.43 2kvr s MET 101 Ca 0.07 -0.46 -0.24 0.00 -1.03 0.00 0.00 55.69 54.04 2kvr s MET 101 Cb 0.02 -2.18 -0.09 0.00 -1.53 0.00 0.00 34.83 31.05 2kvr s MET 101 CO -0.08 -1.38 0.86 -0.51 -2.03 0.00 0.00 175.02 171.88 2kvr s LEU 102 N -5.27 4.36 -0.48 0.18 2.01 -0.37 -4.97 118.68 114.15 2kvr s LEU 102 Ca 0.63 1.68 -0.27 0.00 0.01 0.00 0.00 54.13 56.18 2kvr s LEU 102 Cb -0.09 -3.82 -0.04 0.00 0.01 0.00 0.00 46.19 42.25 2kvr s LEU 102 CO 0.45 -0.01 2.05 -1.81 1.01 0.00 0.00 176.35 178.04 2kvr s ASP 103 N -1.60 5.15 0.54 2.29 1.11 -1.26 -4.77 116.67 118.13 2kvr s ASP 103 Ca 0.47 0.92 0.30 0.00 0.18 0.00 0.00 52.55 54.42 2kvr s ASP 103 Cb -0.18 -2.52 1.52 0.00 1.07 0.00 0.00 42.92 42.81 2kvr s ASP 103 CO 0.23 -2.36 2.08 -1.13 1.18 0.00 0.00 175.17 175.18 2kvr h ASN 104 N 16.00 0.00 0.11 0.27 -0.00 -1.94 0.25 115.58 130.26 2kvr h ASN 104 Ca -0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 55.95 2kvr h ASN 104 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.51 2kvr h ASN 104 CO 1.14 0.10 -0.23 -0.08 -0.00 0.00 0.00 177.43 178.35 2kvr h GLU 105 N 0.00 0.22 0.00 6.67 4.57 -1.96 -3.14 114.58 120.95 2kvr h GLU 105 Ca -0.00 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 2kvr h GLU 105 Cb 0.33 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2kvr h GLU 105 CO 0.01 0.45 -0.54 0.00 -1.18 0.00 0.00 179.01 177.76 2kvr h ALA 106 N 1.56 0.07 -0.41 2.92 0.00 -1.25 -3.42 119.26 118.73 2kvr h ALA 106 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2kvr h ALA 106 Cb 0.53 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kvr h ALA 106 CO 0.04 0.40 0.11 0.38 0.00 0.00 0.00 179.25 180.17 2kvr h ASP 107 N -1.00 0.62 0.20 0.00 3.04 -1.22 -2.20 116.42 115.86 2kvr h ASP 107 Ca -0.09 -0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 2kvr h ASP 107 Cb 0.66 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.79 2kvr h ASP 107 CO -0.05 0.68 0.00 0.61 -2.04 0.00 0.00 179.24 178.44 2kvr n GLY 108 N -0.60 -0.65 0.21 7.15 0.00 -1.19 -2.20 105.19 107.91 2kvr n GLY 108 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.26 1.26 -1.74 1.61 3.02 -0.84 -4.20 115.26 113.11 2kvr n ASN 109 Ca 0.06 -1.13 -0.06 0.00 -0.03 0.00 0.00 54.58 53.42 2kvr n ASN 109 Cb 0.09 0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.01 0.18 -2.39 3.52 -0.00 -0.93 -5.06 118.16 113.48 2kvr n LYS 110 Ca 0.03 -1.08 -0.31 0.00 -0.00 0.00 0.00 58.31 56.96 2kvr n LYS 110 Cb 0.15 0.94 -0.02 0.00 -0.00 0.00 0.00 35.03 36.10 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 -2.50 4.65 -1.72 0.58 -4.23 -1.26 -1.82 115.64 109.34 2kvr s THR 111 Ca 0.12 0.94 0.29 0.00 -1.18 0.00 0.00 61.69 61.86 2kvr s THR 111 Cb 0.00 -3.77 0.48 0.00 1.34 0.00 0.00 72.50 70.55 2kvr s THR 111 CO 0.09 -0.77 1.86 1.15 -0.54 0.00 0.00 174.62 176.41 2kvr n MET 112 N -1.84 0.77 0.15 3.99 0.00 -0.81 -3.33 117.12 116.05 2kvr n MET 112 Ca 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 57.70 57.51 2kvr n MET 112 Cb 0.54 -1.49 0.41 0.00 0.00 0.00 0.00 33.22 32.68 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 0.66 1.18 -0.19 3.17 6.09 -1.29 -1.80 117.51 125.32 2kvr h ILE 113 Ca 0.00 -0.80 -0.13 0.00 -1.37 0.00 0.00 64.86 62.55 2kvr h ILE 113 Cb 0.35 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 2kvr h ILE 113 CO 0.00 0.24 -0.45 -0.33 -3.07 0.00 0.00 178.15 174.54 2kvr h GLU 114 N 0.15 0.48 0.05 2.19 5.08 -1.84 -0.15 114.58 120.53 2kvr h GLU 114 Ca 0.03 -0.26 -0.22 0.00 -1.00 0.00 0.00 59.36 57.91 2kvr h GLU 114 Cb 0.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2kvr h GLU 114 CO 0.03 0.83 -1.16 -0.07 -1.00 0.00 0.00 179.01 177.64 2kvr h LEU 115 N 0.39 0.16 -0.97 1.33 3.38 -1.73 -3.36 115.31 114.51 2kvr h LEU 115 Ca 0.03 -0.74 -0.09 0.00 0.09 0.00 0.00 57.88 57.17 2kvr h LEU 115 Cb 0.94 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2kvr h LEU 115 CO 0.08 1.48 -0.24 0.77 0.09 0.00 0.00 178.44 180.63 2kvr h SER 116 N -0.68 0.46 -5.56 -0.43 4.64 -1.39 -3.48 113.55 107.12 2kvr h SER 116 Ca -0.28 -0.15 -0.31 0.00 -0.47 0.00 0.00 61.79 60.57 2kvr h SER 116 Cb 1.47 -0.13 0.17 0.00 -0.31 0.00 0.00 62.40 63.60 2kvr h SER 116 CO -0.06 0.70 -0.77 -0.67 -0.87 0.00 0.00 176.83 175.16 2kvr n ASP 117 N -4.13 -2.73 0.00 4.97 2.03 -0.07 -3.17 116.55 113.45 2kvr n ASP 117 Ca -0.00 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2kvr n ASP 117 Cb 0.39 -5.06 0.00 0.00 -0.72 0.00 0.00 41.12 35.73 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 -3.11 0.00 -4.80 1.67 3.02 -1.22 -4.98 115.26 105.84 2kvr n ASN 118 Ca -0.25 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.95 2kvr n ASN 118 Cb 0.66 -0.82 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.25 4.30 -0.27 3.52 -1.05 -1.19 -5.08 118.70 118.68 2kvr s GLU 119 Ca 0.00 1.22 -0.25 0.00 -0.15 0.00 0.00 54.97 55.79 2kvr s GLU 119 Cb 0.00 -2.37 0.08 0.00 -0.44 0.00 0.00 34.13 31.39 2kvr s GLU 119 CO 0.00 0.03 0.75 0.54 0.95 0.00 0.00 175.26 177.53 2kvr s ASN 120 N -1.97 -0.72 -0.01 0.83 6.03 -1.26 -4.30 114.94 113.55 2kvr s ASN 120 Ca 0.59 1.37 -0.30 0.00 -1.03 0.00 0.00 52.86 53.49 2kvr s ASN 120 Cb -0.13 1.38 -0.04 0.00 -3.03 0.00 0.00 41.25 39.43 2kvr s ASN 120 CO 0.17 -0.25 1.21 -2.16 -2.03 0.00 0.00 177.10 174.04 2kvr s PRO 121 N 0.32 4.38 -0.48 3.55 0.04 -1.26 -5.01 135.00 136.54 2kvr s PRO 121 Ca 0.00 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2kvr s PRO 121 Cb -0.05 -3.48 0.03 0.00 0.04 0.00 0.00 34.50 31.04 2kvr s PRO 121 CO 0.01 -0.38 1.12 -0.46 0.04 0.00 0.00 177.00 177.33 2kvr s TRP 122 N 1.78 2.81 -0.21 0.56 -0.00 -0.64 -4.74 118.94 118.49 2kvr s TRP 122 Ca 0.57 0.67 -0.29 0.00 -0.00 0.00 0.00 56.10 57.06 2kvr s TRP 122 Cb -0.27 -4.41 0.00 0.00 -0.00 0.00 0.00 33.47 28.79 2kvr s TRP 122 CO 0.25 -1.28 1.14 0.99 -0.00 0.00 0.00 176.95 178.05 2kvr s THR 123 N 4.43 4.50 0.02 5.86 2.01 -1.26 -0.37 115.64 130.84 2kvr s THR 123 Ca 0.47 1.81 -0.05 0.00 0.31 0.00 0.00 61.69 64.23 2kvr s THR 123 Cb -0.07 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2kvr s THR 123 CO 0.31 -0.19 0.08 -0.63 -0.69 0.00 0.00 174.62 173.50 2kvr s ILE 124 N 3.38 0.11 -0.08 1.82 1.01 0.30 -1.15 121.20 126.59 2kvr s ILE 124 Ca 0.49 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2kvr s ILE 124 Cb -0.17 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2kvr s ILE 124 CO 0.10 -0.52 -0.03 -0.36 0.00 0.00 0.00 174.94 174.13 2kvr s PHE 125 N -2.00 3.06 -0.13 3.97 0.40 -0.16 -2.98 117.98 120.15 2kvr s PHE 125 Ca -0.10 0.09 -0.19 0.00 -0.60 0.00 0.00 56.93 56.13 2kvr s PHE 125 Cb -0.05 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2kvr s PHE 125 CO -0.02 0.38 0.50 -1.17 0.70 0.00 0.00 175.22 175.60 2kvr s LEU 126 N -0.77 4.26 0.08 -0.37 0.20 -0.63 -1.84 118.68 119.62 2kvr s LEU 126 Ca 0.12 0.82 0.08 0.00 0.69 0.00 0.00 54.13 55.84 2kvr s LEU 126 Cb -0.11 -2.72 -0.03 0.00 -0.43 0.00 0.00 46.19 42.89 2kvr s LEU 126 CO 0.02 -0.03 -0.22 -0.70 -0.29 0.00 0.00 176.35 175.13 2kvr s GLU 127 N 0.79 1.25 0.00 1.98 2.56 -0.23 -4.74 118.70 120.31 2kvr s GLU 127 Ca 0.26 -1.11 0.17 0.00 0.00 0.00 0.00 54.97 54.29 2kvr s GLU 127 Cb -0.15 -1.49 0.13 0.00 2.00 0.00 0.00 34.13 34.62 2kvr s GLU 127 CO 0.11 0.36 1.02 2.41 -0.56 0.00 0.00 175.26 178.60