#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku n SER 2 N 0.00 0.14 0.32 6.12 2.88 -1.26 -2.67 113.62 119.15 2kku n SER 2 Ca 0.00 0.55 0.20 0.00 -1.33 0.00 0.00 58.87 58.30 2kku n SER 2 Cb 0.00 -0.57 1.11 0.00 -0.75 0.00 0.00 64.21 64.00 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kku h LYS 3 N 0.00 0.00 0.00 -1.46 2.10 -1.99 -3.49 116.57 111.73 2kku h LYS 3 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.75 2kku h LYS 3 Cb 0.10 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.41 2kku h LYS 3 CO 0.00 0.00 -0.14 -0.89 -2.00 0.00 0.00 179.45 176.42 2kku n ILE 4 N -3.29 0.00 0.00 0.07 2.08 -1.09 -4.95 119.36 112.18 2kku n ILE 4 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2kku n ILE 4 Cb 0.10 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 2kku n ILE 4 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2kku n VAL 5 N -2.23 0.00 -2.45 1.39 0.24 -0.60 -3.01 118.33 111.67 2kku n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kku n VAL 5 Cb 0.17 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 2kku n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kku n GLY 6 N -0.36 1.91 3.28 7.63 0.00 -0.59 -1.97 105.19 115.08 2kku n GLY 6 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2kku n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku s VAL 7 N -2.47 1.59 -0.05 1.61 0.11 -0.72 -1.37 120.40 119.10 2kku s VAL 7 Ca 0.00 -1.67 0.05 0.00 -2.93 0.00 0.00 61.98 57.43 2kku s VAL 7 Cb 0.00 -1.58 -0.00 0.00 -1.53 0.00 0.00 36.38 33.26 2kku s VAL 7 CO 0.00 -0.23 -0.20 0.28 -3.33 0.00 0.00 175.10 171.62 2kku s THR 8 N -1.65 1.67 0.10 5.04 -1.32 -0.25 -2.05 115.64 117.18 2kku s THR 8 Ca 0.09 -0.84 0.07 0.00 -1.21 0.00 0.00 61.69 59.80 2kku s THR 8 Cb -0.08 -1.43 -0.03 0.00 -1.51 0.00 0.00 72.50 69.45 2kku s THR 8 CO 0.04 0.47 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.44 2kku s TYR 9 N 0.03 1.56 0.31 9.09 1.51 -1.06 -1.22 117.35 127.57 2kku s TYR 9 Ca -0.06 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2kku s TYR 9 Cb -0.13 -0.85 0.50 0.00 -0.11 0.00 0.00 41.96 41.37 2kku s TYR 9 CO 0.03 0.16 1.79 -1.00 -1.11 0.00 0.00 175.55 175.42 2kku h PRO 10 N 3.99 0.49 -2.62 -1.71 0.13 -1.79 -1.05 132.00 129.45 2kku h PRO 10 Ca -0.43 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2kku h PRO 10 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kku h PRO 10 CO 0.42 0.63 -0.62 -0.89 -0.23 0.00 0.00 178.00 177.31 2kku n ILE 11 N -4.19 -4.04 -1.58 -3.56 2.08 -1.26 -1.65 119.36 105.17 2kku n ILE 11 Ca 0.00 1.69 -0.44 0.00 0.56 0.00 0.00 62.75 64.56 2kku n ILE 11 Cb 0.34 -2.49 -0.04 0.00 -0.75 0.00 0.00 39.64 36.70 2kku n ILE 11 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2kku n PRO 12 N -0.17 1.84 0.00 0.38 -0.02 -1.26 -4.36 135.00 131.42 2kku n PRO 12 Ca 0.00 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2kku n PRO 12 Cb 0.00 -3.08 0.36 0.00 -0.02 0.00 0.00 33.50 30.76 2kku n PRO 12 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2kku n LYS 13 N 8.57 0.27 -0.19 -0.52 2.85 -1.26 -1.15 118.16 126.74 2kku n LYS 13 Ca 0.31 0.11 -0.10 0.00 -1.05 0.00 0.00 58.31 57.58 2kku n LYS 13 Cb 0.40 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.30 2kku n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kku h ARG 14 N 0.00 1.01 -0.11 -1.58 -0.00 -2.01 -3.30 114.38 108.39 2kku h ARG 14 Ca 0.00 -0.35 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 2kku h ARG 14 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 29.98 2kku h ARG 14 CO 0.00 1.04 0.00 1.19 0.00 0.00 0.00 179.97 182.20 2kku n PHE 15 N -4.19 0.30 -0.08 3.04 3.72 -0.30 -4.74 117.46 115.21 2kku n PHE 15 Ca 0.02 -0.80 -0.10 0.00 -0.05 0.00 0.00 57.45 56.52 2kku n PHE 15 Cb 0.38 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 2kku n PHE 15 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2kku h MET 16 N 0.72 0.37 0.00 -1.08 4.05 -1.39 -2.87 114.93 114.72 2kku h MET 16 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2kku h MET 16 Cb 0.97 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 2kku h MET 16 CO 0.06 0.36 0.00 -0.25 0.23 0.00 0.00 176.91 177.31 2kku n ASP 17 N -4.82 0.00 0.02 1.39 9.92 -1.26 -3.00 116.55 118.79 2kku n ASP 17 Ca -0.03 -0.35 -0.12 0.00 -0.53 0.00 0.00 54.79 53.76 2kku n ASP 17 Cb 0.10 -0.12 -0.08 0.00 -0.64 0.00 0.00 41.12 40.38 2kku n ASP 17 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2kku h ARG 18 N 0.00 0.03 0.00 -1.24 2.47 -1.85 0.14 114.38 113.92 2kku h ARG 18 Ca 0.00 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2kku h ARG 18 Cb 0.08 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2kku h ARG 18 CO 0.00 0.18 -0.09 0.74 0.56 0.00 0.00 179.97 181.36 2kku h PHE 19 N -0.13 0.00 0.00 3.04 -1.00 -1.73 -2.13 116.94 114.99 2kku h PHE 19 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2kku h PHE 19 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 2kku h PHE 19 CO -0.02 0.09 -1.09 1.19 -1.61 0.00 0.00 178.31 176.87 2kku n PHE 20 N -4.30 0.08 -0.05 -0.55 3.72 -1.14 -2.03 117.46 113.19 2kku n PHE 20 Ca -0.03 0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2kku n PHE 20 Cb 0.17 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 2kku n PHE 20 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2kku h LYS 21 N 0.00 -0.00 0.00 -1.08 3.11 -0.06 -3.39 116.57 115.15 2kku h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kku h LYS 21 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2kku h LYS 21 CO 0.00 0.82 -1.61 0.36 -2.81 0.00 0.00 179.45 176.21 2kku n LYS 22 N -4.69 0.54 0.00 1.90 2.85 -1.04 -4.99 118.16 112.72 2kku n LYS 22 Ca -0.09 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2kku n LYS 22 Cb 0.40 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 2kku n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kku n GLY 23 N 1.38 2.76 3.52 2.58 0.00 -0.86 -4.92 105.19 109.64 2kku n GLY 23 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kku n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kku s LYS 24 N -0.09 0.57 0.30 1.61 -2.85 -1.25 -2.04 119.74 115.99 2kku s LYS 24 Ca 0.00 1.33 0.01 0.00 -1.00 0.00 0.00 55.97 56.32 2kku s LYS 24 Cb 0.00 0.78 -0.00 0.00 -2.06 0.00 0.00 37.83 36.54 2kku s LYS 24 CO 0.00 -0.30 0.04 -3.47 0.10 0.00 0.00 175.35 171.72 2kku n ASP 25 N 5.44 2.09 -3.79 0.03 -0.08 -0.45 -4.96 116.55 114.84 2kku n ASP 25 Ca -0.09 -2.43 -0.28 0.00 -1.51 0.00 0.00 54.79 50.48 2kku n ASP 25 Cb 0.49 0.43 -0.16 0.00 2.34 0.00 0.00 41.12 44.23 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kku s VAL 26 N -2.35 0.78 -0.46 5.18 1.01 0.25 -0.44 120.40 124.37 2kku s VAL 26 Ca 0.06 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2kku s VAL 26 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.20 2kku s VAL 26 CO 0.04 -0.17 0.71 0.12 0.00 0.00 0.00 175.10 175.81 2kku s PHE 27 N 1.74 3.02 -0.08 5.22 5.36 0.29 -2.45 117.98 131.08 2kku s PHE 27 Ca -0.02 -0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 55.68 2kku s PHE 27 Cb -0.17 -3.52 -0.03 0.00 -0.34 0.00 0.00 43.02 38.95 2kku s PHE 27 CO -0.07 -0.96 0.74 0.14 -1.46 0.00 0.00 175.22 173.60 2kku s VAL 28 N 3.04 5.01 -0.02 3.12 -7.23 -1.26 -1.37 120.40 121.70 2kku s VAL 28 Ca 0.25 1.52 0.04 0.00 -1.81 0.00 0.00 61.98 61.97 2kku s VAL 28 Cb -0.14 -4.07 -0.03 0.00 0.56 0.00 0.00 36.38 32.70 2kku s VAL 28 CO 0.20 0.21 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.55 2kku s LYS 29 N 1.01 2.49 0.00 4.82 -0.14 -0.10 -5.00 119.74 122.83 2kku s LYS 29 Ca 0.39 -0.73 -0.03 0.00 -1.36 0.00 0.00 55.97 54.23 2kku s LYS 29 Cb -0.18 -2.43 -0.15 0.00 -1.68 0.00 0.00 37.83 33.39 2kku s LYS 29 CO 0.18 0.61 2.80 -0.35 -0.76 0.00 0.00 175.35 177.83 2kku n PRO 30 N 1.89 1.49 -3.11 -1.68 -0.04 -1.26 -0.67 135.00 131.62 2kku n PRO 30 Ca -0.16 -0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.62 2kku n PRO 30 Cb 0.52 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kku n ALA 31 N 2.16 -2.54 -0.12 0.55 0.00 -1.15 -4.74 120.51 114.67 2kku n ALA 31 Ca 0.25 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2kku n ALA 31 Cb 0.70 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N 0.61 0.66 -4.23 0.00 -1.04 -1.26 -5.05 114.28 103.97 2kku n THR 32 Ca -0.01 -0.77 -0.21 0.00 -2.04 0.00 0.00 64.05 61.02 2kku n THR 32 Cb 0.42 0.70 -0.12 0.00 -1.82 0.00 0.00 70.33 69.51 2kku n THR 32 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2kku s VAL 33 N -0.66 1.41 0.28 12.58 -7.23 -1.26 -5.06 120.40 120.46 2kku s VAL 33 Ca 0.00 -1.44 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2kku s VAL 33 Cb 0.00 -1.32 0.06 0.00 0.56 0.00 0.00 36.38 35.68 2kku s VAL 33 CO 0.00 -0.15 0.38 0.79 -0.31 0.00 0.00 175.10 175.80 2kku n TRP 34 N 1.16 -3.95 1.31 2.82 8.01 -1.26 -4.93 117.44 120.60 2kku n TRP 34 Ca -0.20 -0.35 0.00 0.00 -1.31 0.00 0.00 57.50 55.64 2kku n TRP 34 Cb 0.54 -0.29 0.03 0.00 -2.01 0.00 0.00 31.31 29.58 2kku n TRP 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2kku n LYS 35 N -1.79 0.66 0.15 -0.99 4.76 -1.26 -2.69 118.16 117.00 2kku n LYS 35 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2kku n LYS 35 Cb 0.17 -1.02 0.22 0.00 -1.84 0.00 0.00 35.03 32.56 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2kku h GLU 36 N 0.00 0.00 -6.01 1.97 4.39 -2.03 -3.42 114.58 109.48 2kku h GLU 36 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2kku h GLU 36 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2kku h GLU 36 CO 0.00 0.55 1.40 -0.51 -1.16 0.00 0.00 179.01 179.29 2kku s LEU 37 N -7.61 3.41 0.07 1.33 2.01 -1.10 -4.96 118.68 111.82 2kku s LEU 37 Ca -0.01 1.04 0.02 0.00 0.01 0.00 0.00 54.13 55.19 2kku s LEU 37 Cb 0.13 -3.00 -0.03 0.00 0.01 0.00 0.00 46.19 43.29 2kku s LEU 37 CO 0.75 -2.19 -0.08 -1.59 1.01 0.00 0.00 176.35 174.25 2kku s LYS 38 N 6.71 0.66 -0.67 1.70 0.00 -1.26 -5.01 119.74 121.87 2kku s LYS 38 Ca 0.82 -0.98 -0.26 0.00 0.00 0.00 0.00 55.97 55.55 2kku s LYS 38 Cb -0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 37.83 37.29 2kku s LYS 38 CO 0.28 0.04 1.99 -1.25 0.00 0.00 0.00 175.35 176.41 2kku s PRO 39 N -2.41 2.47 0.00 1.78 0.04 -1.26 -3.60 135.00 132.02 2kku s PRO 39 Ca -0.01 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2kku s PRO 39 Cb -0.05 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2kku s PRO 39 CO -0.01 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.37 2kku n GLY 40 N 6.08 0.18 0.57 0.56 0.00 -0.46 -4.90 105.19 107.21 2kku n GLY 40 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 1.20 -4.28 1.61 2.81 -1.18 -4.98 117.12 112.30 2kku n MET 41 Ca 0.00 -0.59 -0.24 0.00 -1.81 0.00 0.00 57.70 55.06 2kku n MET 41 Cb 0.00 0.26 -0.07 0.00 -0.71 0.00 0.00 33.22 32.70 2kku n MET 41 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2kku s LYS 42 N -2.27 2.30 -0.29 0.03 -2.85 -0.83 -0.64 119.74 115.18 2kku s LYS 42 Ca 0.02 -1.35 -0.02 0.00 -1.00 0.00 0.00 55.97 53.62 2kku s LYS 42 Cb 0.00 -2.20 0.09 0.00 -2.06 0.00 0.00 37.83 33.67 2kku s LYS 42 CO 0.02 0.39 0.10 0.12 0.10 0.00 0.00 175.35 176.08 2kku s PHE 43 N -2.16 1.04 -0.06 1.78 2.19 -0.19 -1.76 117.98 118.82 2kku s PHE 43 Ca 0.30 -1.27 -0.24 0.00 0.33 0.00 0.00 56.93 56.06 2kku s PHE 43 Cb -0.07 -1.29 -0.04 0.00 -1.31 0.00 0.00 43.02 40.31 2kku s PHE 43 CO 0.19 -0.82 0.72 0.08 1.83 0.00 0.00 175.22 177.22 2kku s VAL 44 N 1.85 5.03 -0.38 3.12 1.01 -0.87 -0.15 120.40 130.00 2kku s VAL 44 Ca 0.08 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.37 2kku s VAL 44 Cb -0.17 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2kku s VAL 44 CO -0.28 0.25 0.46 -0.36 0.00 0.00 0.00 175.10 175.17 2kku s PHE 45 N 0.77 3.17 0.49 5.22 0.08 -0.33 -2.57 117.98 124.81 2kku s PHE 45 Ca 0.38 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 57.13 2kku s PHE 45 Cb -0.18 -2.89 -0.08 0.00 -0.57 0.00 0.00 43.02 39.30 2kku s PHE 45 CO 0.19 -0.61 1.04 -0.47 -0.10 0.00 0.00 175.22 175.27 2kku s TYR 46 N 2.24 3.01 -1.38 0.36 5.04 -0.40 -1.19 117.35 125.03 2kku s TYR 46 Ca 0.15 1.57 -0.14 0.00 -2.44 0.00 0.00 57.07 56.21 2kku s TYR 46 Cb -0.16 -3.05 0.08 0.00 0.35 0.00 0.00 41.96 39.17 2kku s TYR 46 CO 0.14 -0.82 2.02 0.94 -1.34 0.00 0.00 175.55 176.49 2kku n GLN 47 N -1.02 3.11 0.00 4.97 7.27 -0.46 -4.43 117.38 126.82 2kku n GLN 47 Ca 0.09 -2.99 0.00 0.00 0.07 0.00 0.00 57.00 54.17 2kku n GLN 47 Cb 0.53 -3.23 0.00 0.00 2.41 0.00 0.00 30.24 29.95 2kku n GLN 47 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2kku n SER 48 N 5.96 0.00 -3.56 1.69 3.41 -0.66 -4.62 113.62 115.84 2kku n SER 48 Ca 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 2kku n SER 48 Cb 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2kku n SER 48 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2kku s HIS 49 N 0.00 0.01 0.00 7.33 -3.43 -1.26 -4.68 115.29 113.26 2kku s HIS 49 Ca 0.00 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 2kku s HIS 49 Cb 0.00 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2kku s HIS 49 CO 0.00 -0.67 0.00 -1.91 -2.00 0.00 0.00 174.74 170.16 2kku n GLU 50 N -0.67 0.00 -2.12 -0.38 2.13 -1.26 -4.79 120.64 113.55 2kku n GLU 50 Ca -0.03 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.36 2kku n GLU 50 Cb 0.60 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.29 2kku n GLU 50 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2kku s ASP 51 N 0.00 6.61 -1.31 4.31 2.15 -1.26 -4.94 116.67 122.23 2kku s ASP 51 Ca 0.00 1.92 -0.16 0.00 0.43 0.00 0.00 52.55 54.73 2kku s ASP 51 Cb 0.00 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 2kku s ASP 51 CO 0.00 -1.02 1.76 0.41 -0.17 0.00 0.00 175.17 176.15 2kku n THR 52 N 5.80 3.95 -3.55 1.71 -1.04 -1.26 -4.72 114.28 115.17 2kku n THR 52 Ca 0.17 -4.08 -0.08 0.00 -2.04 0.00 0.00 64.05 58.02 2kku n THR 52 Cb 0.44 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.52 2kku n THR 52 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kku s GLY 53 N 3.65 -0.44 0.10 3.41 0.00 -1.26 -4.44 107.32 108.35 2kku s GLY 53 Ca 0.50 0.67 -0.07 0.00 0.00 0.00 0.00 44.72 45.82 2kku s GLY 53 CO 0.04 0.21 0.37 -1.36 0.00 0.00 0.00 173.10 172.36 2kku s PHE 54 N -3.33 3.53 0.00 1.90 0.08 -0.96 -1.35 117.98 117.85 2kku s PHE 54 Ca 0.06 0.65 0.11 0.00 0.12 0.00 0.00 56.93 57.87 2kku s PHE 54 Cb -0.01 -2.07 -0.23 0.00 -0.57 0.00 0.00 43.02 40.14 2kku s PHE 54 CO -0.07 0.49 0.83 -0.24 -0.10 0.00 0.00 175.22 176.13 2kku h VAL 55 N 2.50 1.09 -0.02 -0.44 3.04 -1.36 -3.43 116.25 117.62 2kku h VAL 55 Ca -0.48 -2.90 0.00 0.00 -1.01 0.00 0.00 66.70 62.31 2kku h VAL 55 Cb 1.18 2.54 0.00 0.00 -2.01 0.00 0.00 31.29 33.00 2kku h VAL 55 CO 0.69 0.62 0.00 0.61 -1.01 0.00 0.00 177.57 178.49 2kku n GLY 56 N 1.50 0.83 3.65 3.17 0.00 -0.99 -1.57 105.19 111.79 2kku n GLY 56 Ca -0.12 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2kku n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kku s GLU 57 N 1.22 2.08 0.06 1.61 -1.05 -0.49 -1.18 118.70 120.95 2kku s GLU 57 Ca 0.00 -1.59 -0.05 0.00 -0.15 0.00 0.00 54.97 53.17 2kku s GLU 57 Cb 0.00 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2kku s GLU 57 CO 0.00 -0.92 0.27 0.00 0.95 0.00 0.00 175.26 175.55 2kku n ALA 58 N -0.55 -0.68 -3.67 -0.84 0.00 0.78 -0.24 120.51 115.32 2kku n ALA 58 Ca -0.04 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 2kku n ALA 58 Cb 0.61 0.18 -0.17 0.00 0.00 0.00 0.00 19.45 20.07 2kku n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kku s ARG 59 N -2.02 1.76 0.22 0.00 1.81 -0.32 -1.02 118.95 119.38 2kku s ARG 59 Ca 0.06 -0.39 -0.30 0.00 -1.72 0.00 0.00 55.73 53.38 2kku s ARG 59 Cb -0.01 -1.58 -0.09 0.00 -0.45 0.00 0.00 34.95 32.83 2kku s ARG 59 CO 0.02 -0.10 1.15 0.42 -0.68 0.00 0.00 175.30 176.11 2kku s ILE 60 N 1.10 3.57 0.27 1.52 1.01 0.18 -1.30 121.20 127.55 2kku s ILE 60 Ca -0.06 1.42 0.04 0.00 0.00 0.00 0.00 60.65 62.05 2kku s ILE 60 Cb -0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2kku s ILE 60 CO -0.02 0.27 0.15 0.29 0.00 0.00 0.00 174.94 175.63 2kku n LYS 61 N 1.96 0.50 -0.75 2.79 4.76 0.84 -1.36 118.16 126.91 2kku n LYS 61 Ca 0.02 -2.43 -0.34 0.00 -2.87 0.00 0.00 58.31 52.69 2kku n LYS 61 Cb 0.45 1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 35.20 2kku n LYS 61 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2kku n ARG 62 N -0.56 0.00 -3.06 1.97 1.85 -1.26 -2.71 116.66 112.89 2kku n ARG 62 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2kku n ARG 62 Cb 0.44 -0.82 -0.06 0.00 -1.05 0.00 0.00 32.46 30.97 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kku s VAL 63 N 2.92 4.73 -0.44 8.89 -7.23 -1.26 -2.87 120.40 125.16 2kku s VAL 63 Ca 0.64 -0.18 -0.23 0.00 -1.81 0.00 0.00 61.98 60.40 2kku s VAL 63 Cb -0.82 -4.35 0.02 0.00 0.56 0.00 0.00 36.38 31.79 2kku s VAL 63 CO 0.38 -0.86 0.79 -0.69 -0.31 0.00 0.00 175.10 174.41 2kku s VAL 64 N 3.03 4.66 -0.26 1.32 1.01 -0.37 -4.84 120.40 124.94 2kku s VAL 64 Ca 0.21 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 2kku s VAL 64 Cb -0.17 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2kku s VAL 64 CO 0.15 -0.67 0.51 -0.76 0.00 0.00 0.00 175.10 174.33 2kku s LEU 65 N 3.27 4.06 -0.16 3.92 1.43 -1.26 -0.99 118.68 128.94 2kku s LEU 65 Ca 0.30 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 2kku s LEU 65 Cb -0.12 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.50 2kku s LEU 65 CO 0.22 -0.29 0.41 -0.55 0.23 0.00 0.00 176.35 176.37 2kku s SER 66 N 1.56 -0.48 0.00 2.29 0.15 -0.55 -5.02 113.70 111.64 2kku s SER 66 Ca 0.21 0.87 0.23 0.00 0.70 0.00 0.00 55.95 57.96 2kku s SER 66 Cb -0.16 0.80 1.35 0.00 -1.71 0.00 0.00 66.02 66.31 2kku s SER 66 CO 0.09 -0.17 1.76 -0.62 1.20 0.00 0.00 173.24 175.50 2kku n GLU 67 N 3.67 0.66 -3.94 5.44 1.02 -1.26 -1.41 120.64 124.82 2kku n GLU 67 Ca -0.19 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.61 2kku n GLU 67 Cb 0.56 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.34 2kku n GLU 67 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kku s ASN 68 N -2.10 4.19 0.58 1.62 0.01 -1.26 -3.82 114.94 114.16 2kku s ASN 68 Ca 0.33 -0.41 0.36 0.00 -0.71 0.00 0.00 52.86 52.43 2kku s ASN 68 Cb 0.16 -1.71 1.71 0.00 0.41 0.00 0.00 41.25 41.82 2kku s ASN 68 CO 0.28 -0.02 2.12 1.55 -1.51 0.00 0.00 177.10 179.53 2kku h PRO 69 N 8.07 0.00 0.00 -0.60 0.13 -1.88 -3.06 132.00 134.67 2kku h PRO 69 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 2kku h PRO 69 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kku h PRO 69 CO 0.61 0.03 -0.27 0.52 -0.23 0.00 0.00 178.00 178.65 2kku h MET 70 N 0.00 0.00 0.00 0.86 2.86 -1.94 -2.76 114.93 113.95 2kku h MET 70 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2kku h MET 70 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2kku h MET 70 CO 0.00 0.27 -0.11 1.96 1.06 0.00 0.00 176.91 180.09 2kku h GLN 71 N 0.00 0.00 0.00 1.72 1.08 -1.94 -2.03 115.11 113.94 2kku h GLN 71 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kku h GLN 71 Cb 0.80 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2kku h GLN 71 CO 0.04 0.11 -0.00 0.74 -0.95 0.00 0.00 178.83 178.77 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.70 -1.36 116.94 116.88 2kku h PHE 72 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kku h PHE 72 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2kku h PHE 72 CO 0.00 0.00 -1.32 1.19 -0.60 0.00 0.00 178.31 177.59 2kku n PHE 73 N -3.10 0.61 0.02 -0.55 3.72 -0.79 -1.27 117.46 116.11 2kku n PHE 73 Ca 0.03 0.18 -0.08 0.00 -0.05 0.00 0.00 57.45 57.52 2kku n PHE 73 Cb 0.45 -0.78 -0.13 0.00 -0.94 0.00 0.00 39.48 38.08 2kku n PHE 73 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2kku h GLU 74 N 0.00 0.02 0.00 -1.08 4.11 -1.40 -3.26 114.58 112.96 2kku h GLU 74 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2kku h GLU 74 Cb 0.98 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kku h GLU 74 CO 0.00 0.78 -0.02 1.15 0.07 0.00 0.00 179.01 180.99 2kku h THR 75 N 0.00 0.19 0.00 -1.06 2.02 -1.34 -3.45 112.91 109.27 2kku h THR 75 Ca -0.15 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2kku h THR 75 Cb 1.89 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2kku h THR 75 CO 0.11 0.07 -0.03 0.49 0.37 0.00 0.00 175.52 176.52 2kku n PHE 76 N -4.75 0.00 0.00 3.16 3.72 -0.39 -4.99 117.46 114.20 2kku n PHE 76 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2kku n PHE 76 Cb 0.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2kku n PHE 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kku n GLY 77 N 1.58 1.36 0.23 1.37 0.00 -0.40 -3.94 105.19 105.40 2kku n GLY 77 Ca -0.00 0.30 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 2kku n GLY 77 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kku h ASP 78 N 0.00 0.57 0.23 1.61 3.58 -1.90 -2.79 116.42 117.72 2kku h ASP 78 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2kku h ASP 78 Cb 0.00 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2kku h ASP 78 CO 0.00 0.40 -0.24 0.03 -2.88 0.00 0.00 179.24 176.55 2kku h ARG 79 N 0.69 0.02 -7.08 0.28 2.47 -1.93 -3.45 114.38 105.37 2kku h ARG 79 Ca 0.22 -0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.43 2kku h ARG 79 Cb 0.01 -0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.41 2kku h ARG 79 CO -0.09 0.26 0.44 0.08 0.56 0.00 0.00 179.97 181.23 2kku s VAL 80 N -4.50 3.04 0.17 2.04 1.01 -1.05 -0.58 120.40 120.53 2kku s VAL 80 Ca -0.04 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 2kku s VAL 80 Cb 0.15 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.32 2kku s VAL 80 CO 0.71 -0.13 1.65 2.19 0.00 0.00 0.00 175.10 179.51 2kku h PHE 81 N 1.18 1.03 -1.61 5.22 -0.00 -1.78 -3.45 116.94 117.53 2kku h PHE 81 Ca -0.50 -0.15 -0.52 0.00 -0.00 0.00 0.00 57.97 56.79 2kku h PHE 81 Cb 1.27 -0.28 -0.05 0.00 -0.00 0.00 0.00 35.95 36.89 2kku h PHE 81 CO 0.50 0.91 -0.44 -0.48 -0.00 0.00 0.00 178.31 178.80 2kku s LEU 82 N -9.46 3.31 0.42 2.10 2.34 -1.26 -4.93 118.68 111.20 2kku s LEU 82 Ca -0.12 -0.83 0.06 0.00 0.06 0.00 0.00 54.13 53.29 2kku s LEU 82 Cb 0.13 -1.84 0.01 0.00 -0.56 0.00 0.00 46.19 43.93 2kku s LEU 82 CO 0.83 -0.55 0.59 0.28 -1.06 0.00 0.00 176.35 176.43 2kku s THR 83 N -2.49 3.29 0.30 5.48 -1.32 -1.26 -4.96 115.64 114.68 2kku s THR 83 Ca 0.44 -0.90 0.23 0.00 -1.21 0.00 0.00 61.69 60.25 2kku s THR 83 Cb -0.01 -3.14 0.22 0.00 -1.51 0.00 0.00 72.50 68.05 2kku s THR 83 CO 0.25 -0.07 1.91 0.50 -2.21 0.00 0.00 174.62 175.01 2kku h LYS 84 N 0.58 0.00 0.18 7.08 3.64 -1.97 -1.50 116.57 124.59 2kku h LYS 84 Ca -0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2kku h LYS 84 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2kku h LYS 84 CO 0.49 0.23 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.32 2kku h ASP 85 N 0.00 -0.36 -0.62 4.20 3.32 -2.00 -1.16 116.42 119.80 2kku h ASP 85 Ca -0.00 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.14 2kku h ASP 85 Cb 0.59 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2kku h ASP 85 CO 0.03 -0.22 0.41 -0.33 -1.72 0.00 0.00 179.24 177.41 2kku h GLU 86 N -0.33 0.60 0.66 3.56 4.39 -1.71 -2.74 114.58 119.01 2kku h GLU 86 Ca -0.01 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2kku h GLU 86 Cb 0.29 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2kku h GLU 86 CO -0.01 0.40 -0.32 1.25 -1.16 0.00 0.00 179.01 179.17 2kku h LEU 87 N 0.62 -0.75 -1.10 1.33 5.85 -1.09 -1.71 115.31 118.47 2kku h LEU 87 Ca 0.27 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2kku h LEU 87 Cb 0.26 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2kku h LEU 87 CO -0.08 -0.47 0.53 0.07 -0.34 0.00 0.00 178.44 178.14 2kku h LYS 88 N -1.00 1.14 0.00 1.25 5.09 -0.92 -0.83 116.57 121.30 2kku h LYS 88 Ca -0.09 -0.09 -0.15 0.00 0.09 0.00 0.00 60.65 60.41 2kku h LYS 88 Cb 0.71 -0.24 -0.02 0.00 0.10 0.00 0.00 32.23 32.77 2kku h LYS 88 CO 0.15 0.79 -0.72 1.05 -2.09 0.00 0.00 179.45 178.63 2kku h GLU 89 N 1.16 0.00 -0.53 0.07 4.11 -1.59 -2.36 114.58 115.44 2kku h GLU 89 Ca 0.31 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.66 2kku h GLU 89 Cb -0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2kku h GLU 89 CO -0.06 0.72 0.03 -0.92 0.07 0.00 0.00 179.01 178.84 2kku h TYR 90 N 0.00 0.99 -0.00 2.06 3.20 -0.52 0.49 116.97 123.19 2kku h TYR 90 Ca -0.01 -0.16 -0.13 0.00 3.14 0.00 0.00 58.73 61.57 2kku h TYR 90 Cb 1.51 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 2kku h TYR 90 CO 0.00 0.91 -0.61 0.52 -1.64 0.00 0.00 178.16 177.34 2kku h MET 91 N 0.79 0.00 -0.05 1.82 2.86 -1.15 -2.24 114.93 116.97 2kku h MET 91 Ca 0.15 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.61 2kku h MET 91 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2kku h MET 91 CO 0.02 0.61 -0.75 0.87 1.06 0.00 0.00 176.91 178.72 2kku h LYS 92 N 0.00 0.31 0.00 1.72 1.79 -1.33 -3.20 116.57 115.86 2kku h LYS 92 Ca -0.01 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.16 2kku h LYS 92 Cb 1.07 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 2kku h LYS 92 CO 0.08 0.92 -0.17 0.77 -1.08 0.00 0.00 179.45 179.97 2kku h SER 93 N 0.21 0.00 -0.21 0.86 0.02 -0.42 -1.64 113.55 112.38 2kku h SER 93 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2kku h SER 93 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2kku h SER 93 CO 0.12 0.17 0.05 1.56 -1.14 0.00 0.00 176.83 177.59 2kku h GLN 94 N 0.00 0.33 0.01 3.45 1.08 -1.41 -2.71 115.11 115.86 2kku h GLN 94 Ca -0.00 -0.08 -0.26 0.00 -1.45 0.00 0.00 58.65 56.86 2kku h GLN 94 Cb 0.38 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 2kku h GLN 94 CO 0.02 0.45 -1.39 1.05 -0.95 0.00 0.00 178.83 178.01 2kku h GLU 95 N 0.15 0.01 0.17 1.46 -0.00 -1.59 -2.55 114.58 112.23 2kku h GLU 95 Ca 0.07 -0.02 -0.27 0.00 -0.00 0.00 0.00 59.36 59.13 2kku h GLU 95 Cb 0.26 0.01 0.02 0.00 -0.00 0.00 0.00 28.75 29.04 2kku h GLU 95 CO 0.00 0.75 -1.26 0.07 -0.00 0.00 0.00 179.01 178.57 2kku h ARG 96 N 0.00 0.36 0.00 1.06 0.11 -1.41 -3.10 114.38 111.40 2kku h ARG 96 Ca -0.16 -0.61 -0.02 0.00 0.10 0.00 0.00 59.98 59.29 2kku h ARG 96 Cb 1.91 0.23 -0.00 0.00 1.11 0.00 0.00 29.97 33.21 2kku h ARG 96 CO 0.11 1.29 -0.49 -1.49 0.10 0.00 0.00 179.97 179.49 2kku h TRP 97 N -0.17 0.00 0.00 4.08 -0.00 -1.65 -3.41 115.95 114.80 2kku h TRP 97 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.65 2kku h TRP 97 Cb 1.86 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.02 2kku h TRP 97 CO 0.15 0.08 0.00 0.41 -0.00 0.00 0.00 178.44 179.08 2kku n GLY 98 N 1.16 1.71 2.07 1.49 0.00 -0.96 -5.08 105.19 105.57 2kku n GLY 98 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kku n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku n ARG 99 N 0.00 0.00 -3.54 1.61 5.12 -1.19 -5.05 116.66 113.61 2kku n ARG 99 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 2kku n ARG 99 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 2kku n ARG 99 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2kku s ARG 100 N -1.54 0.67 -0.30 5.56 1.70 -1.18 -4.77 118.95 119.10 2kku s ARG 100 Ca 0.00 -0.18 -0.07 0.00 -0.47 0.00 0.00 55.73 55.01 2kku s ARG 100 Cb 0.00 0.31 0.15 0.00 -0.57 0.00 0.00 34.95 34.84 2kku s ARG 100 CO 0.00 -0.28 0.63 0.50 -1.08 0.00 0.00 175.30 175.07 2kku s ARG 101 N -2.61 0.57 0.64 3.89 3.00 -1.26 -4.89 118.95 118.29 2kku s ARG 101 Ca 0.05 1.30 -0.10 0.00 -1.00 0.00 0.00 55.73 55.98 2kku s ARG 101 Cb -0.01 0.75 -0.01 0.00 0.00 0.00 0.00 34.95 35.69 2kku s ARG 101 CO -0.06 -0.34 1.02 -1.21 0.00 0.00 0.00 175.30 174.70 2kku s GLU 102 N 2.88 3.14 0.10 5.12 8.01 -1.26 -5.01 118.70 131.69 2kku s GLU 102 Ca 0.03 0.44 -0.31 0.00 0.01 0.00 0.00 54.97 55.14 2kku s GLU 102 Cb -0.13 -2.11 -0.12 0.00 -4.31 0.00 0.00 34.13 27.46 2kku s GLU 102 CO -0.20 -0.77 1.59 0.77 0.01 0.00 0.00 175.26 176.67 2kku h SER 103 N -0.39 -1.14 0.00 -0.19 0.02 -2.06 -3.43 113.55 106.35 2kku h SER 103 Ca -0.45 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2kku h SER 103 Cb 1.23 0.41 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2kku h SER 103 CO 0.63 -0.51 0.00 0.29 -1.14 0.00 0.00 176.83 176.10 2kku n LYS 104 N -5.47 0.00 -3.55 3.45 4.76 -1.26 -4.50 118.16 111.59 2kku n LYS 104 Ca -0.09 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 2kku n LYS 104 Cb 0.38 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.53 2kku n LYS 104 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2kku s LYS 105 N 0.00 1.13 0.97 1.97 2.47 -1.26 -5.18 119.74 119.84 2kku s LYS 105 Ca 0.00 -0.54 -0.13 0.00 -1.56 0.00 0.00 55.97 53.74 2kku s LYS 105 Cb 0.00 0.51 0.17 0.00 -1.46 0.00 0.00 37.83 37.05 2kku s LYS 105 CO 0.00 -0.45 1.12 -1.59 0.16 0.00 0.00 175.35 174.58 2kku s LYS 106 N -3.53 0.69 0.04 4.03 0.00 -1.26 -5.09 119.74 114.61 2kku s LYS 106 Ca 0.01 0.36 0.07 0.00 0.00 0.00 0.00 55.97 56.41 2kku s LYS 106 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 37.83 36.03 2kku s LYS 106 CO -0.10 -2.52 -0.21 0.21 0.00 0.00 0.00 175.35 172.72 2kku s LYS 107 N -5.15 1.44 -0.37 1.78 2.36 -1.25 -5.09 119.74 113.46 2kku s LYS 107 Ca 0.65 -0.93 -0.28 0.00 -2.55 0.00 0.00 55.97 52.85 2kku s LYS 107 Cb -0.16 -1.54 -0.02 0.00 -1.05 0.00 0.00 37.83 35.05 2kku s LYS 107 CO 0.55 0.40 1.80 -1.17 1.55 0.00 0.00 175.35 178.48 2kku s LEU 108 N -1.12 3.48 0.32 5.43 1.98 -1.26 -4.28 118.68 123.22 2kku s LEU 108 Ca 0.08 1.15 0.03 0.00 -2.89 0.00 0.00 54.13 52.49 2kku s LEU 108 Cb -0.09 -3.36 -0.03 0.00 0.66 0.00 0.00 46.19 43.38 2kku s LEU 108 CO 0.02 -1.81 0.48 0.26 -1.89 0.00 0.00 176.35 173.41 2kku s TRP 109 N 7.21 3.40 -0.07 5.38 0.52 -0.50 -2.93 118.94 131.95 2kku s TRP 109 Ca 0.77 0.12 -0.03 0.00 0.02 0.00 0.00 56.10 56.99 2kku s TRP 109 Cb -0.21 -1.83 0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2kku s TRP 109 CO 0.32 0.17 0.16 0.00 0.02 0.00 0.00 176.95 177.62 2kku s MET 110 N -4.20 0.11 -0.47 4.98 0.23 0.15 -1.49 119.30 118.62 2kku s MET 110 Ca 0.39 0.37 -0.12 0.00 -1.03 0.00 0.00 55.69 55.31 2kku s MET 110 Cb -0.09 -0.14 0.10 0.00 -1.53 0.00 0.00 34.83 33.17 2kku s MET 110 CO 0.33 -0.15 0.36 0.00 -2.03 0.00 0.00 175.02 173.54 2kku s ALA 111 N 1.05 3.45 -0.22 3.16 0.00 -0.16 -0.92 121.76 128.11 2kku s ALA 111 Ca -0.08 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 49.21 2kku s ALA 111 Cb -0.10 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.11 2kku s ALA 111 CO -0.06 -1.84 1.03 0.42 0.00 0.00 0.00 175.76 175.31 2kku s ILE 112 N 1.47 4.69 0.15 0.00 1.01 -0.47 -1.24 121.20 126.82 2kku s ILE 112 Ca 0.04 2.01 -0.26 0.00 0.00 0.00 0.00 60.65 62.45 2kku s ILE 112 Cb -0.26 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.83 2kku s ILE 112 CO 0.02 -0.16 0.79 -0.70 0.00 0.00 0.00 174.94 174.88 2kku s GLU 113 N 3.11 4.57 -0.17 2.79 2.12 -1.10 -0.55 118.70 129.48 2kku s GLU 113 Ca 0.44 1.17 0.01 0.00 0.36 0.00 0.00 54.97 56.95 2kku s GLU 113 Cb -0.15 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 30.98 2kku s GLU 113 CO 0.07 0.53 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.61 2kku s LEU 114 N -1.00 2.06 0.43 2.70 2.01 0.41 -0.11 118.68 125.19 2kku s LEU 114 Ca 0.36 -0.61 0.07 0.00 0.01 0.00 0.00 54.13 53.96 2kku s LEU 114 Cb -0.23 -1.42 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 2kku s LEU 114 CO 0.26 0.01 0.19 -1.83 1.01 0.00 0.00 176.35 175.99 2kku s GLU 115 N 1.20 2.22 -1.41 1.70 -1.05 -0.42 -1.34 118.70 119.60 2kku s GLU 115 Ca 0.02 -1.90 -0.05 0.00 -0.15 0.00 0.00 54.97 52.89 2kku s GLU 115 Cb -0.14 -1.96 0.03 0.00 -0.44 0.00 0.00 34.13 31.62 2kku s GLU 115 CO -0.10 -0.18 0.72 -3.47 0.95 0.00 0.00 175.26 173.18 2kku n ASP 116 N -1.29 -2.05 -4.59 0.83 2.03 -1.19 -1.17 116.55 109.12 2kku n ASP 116 Ca -0.02 -0.86 -0.42 0.00 0.52 0.00 0.00 54.79 54.00 2kku n ASP 116 Cb 0.65 -3.71 -0.02 0.00 -0.72 0.00 0.00 41.12 37.31 2kku n ASP 116 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kku s VAL 117 N -3.62 3.83 0.34 5.18 1.01 -0.86 -4.28 120.40 122.00 2kku s VAL 117 Ca 0.22 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 2kku s VAL 117 Cb -0.11 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2kku s VAL 117 CO 0.84 -0.87 0.67 -0.75 0.00 0.00 0.00 175.10 174.99 2kku s LYS 118 N 5.21 3.75 -0.11 2.72 2.47 0.66 -4.87 119.74 129.58 2kku s LYS 118 Ca 0.60 0.31 -0.02 0.00 -1.56 0.00 0.00 55.97 55.30 2kku s LYS 118 Cb -0.13 -2.51 -0.03 0.00 -1.46 0.00 0.00 37.83 33.70 2kku s LYS 118 CO 0.30 0.11 -0.02 0.15 0.16 0.00 0.00 175.35 176.05 2kku s LYS 119 N -3.54 3.16 -1.16 4.03 -0.14 -1.26 -1.39 119.74 119.45 2kku s LYS 119 Ca 0.49 -0.47 -0.10 0.00 -1.36 0.00 0.00 55.97 54.52 2kku s LYS 119 Cb -0.11 -2.80 0.24 0.00 -1.68 0.00 0.00 37.83 33.49 2kku s LYS 119 CO 0.28 0.54 1.29 0.66 -0.76 0.00 0.00 175.35 177.37 2kku n TYR 120 N 2.62 4.85 0.22 3.18 4.02 -0.61 -4.76 117.16 126.68 2kku n TYR 120 Ca -0.18 -3.57 0.09 0.00 -0.01 0.00 0.00 57.90 54.23 2kku n TYR 120 Cb 0.53 -1.85 0.48 0.00 -0.02 0.00 0.00 39.34 38.48 2kku n TYR 120 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2kku h ASP 121 N 6.67 0.00 -3.83 7.72 5.19 -1.93 -3.44 116.42 126.81 2kku h ASP 121 Ca 0.24 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.17 2kku h ASP 121 Cb 0.84 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 2kku h ASP 121 CO 1.15 0.25 0.27 -1.59 -3.12 0.00 0.00 179.24 176.20 2kku s LYS 122 N -3.79 4.42 -1.28 3.56 -2.85 -1.26 -5.00 119.74 113.54 2kku s LYS 122 Ca -0.01 1.15 -0.18 0.00 -1.00 0.00 0.00 55.97 55.93 2kku s LYS 122 Cb 0.11 -2.70 0.02 0.00 -2.06 0.00 0.00 37.83 33.20 2kku s LYS 122 CO 0.64 0.25 1.89 -0.35 0.10 0.00 0.00 175.35 177.88 2kku n PRO 123 N 0.37 2.77 -3.02 1.78 -0.04 -1.26 -4.96 135.00 130.64 2kku n PRO 123 Ca 0.02 -2.92 -0.40 0.00 -0.04 0.00 0.00 63.50 60.16 2kku n PRO 123 Cb 0.51 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 2kku n PRO 123 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kku s ILE 124 N 5.12 5.01 0.03 0.52 1.01 -1.26 -5.07 121.20 126.57 2kku s ILE 124 Ca 0.55 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.69 2kku s ILE 124 Cb 0.06 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2kku s ILE 124 CO 0.06 0.20 -0.02 -1.59 0.00 0.00 0.00 174.94 173.58 2kku s LYS 125 N 1.16 2.61 0.44 2.79 0.00 -1.26 -2.26 119.74 123.21 2kku s LYS 125 Ca 0.37 -0.74 -0.23 0.00 0.00 0.00 0.00 55.97 55.38 2kku s LYS 125 Cb -0.17 -2.56 -0.08 0.00 0.00 0.00 0.00 37.83 35.01 2kku s LYS 125 CO 0.16 0.59 1.09 -2.14 0.00 0.00 0.00 175.35 175.05 2kku s PRO 126 N -1.79 3.94 0.40 1.78 0.02 -1.26 -4.94 135.00 133.15 2kku s PRO 126 Ca 0.21 1.57 0.19 0.00 0.02 0.00 0.00 61.00 62.99 2kku s PRO 126 Cb -0.11 -2.39 0.82 0.00 0.02 0.00 0.00 34.50 32.84 2kku s PRO 126 CO 0.12 -0.35 1.81 -0.22 -0.33 0.00 0.00 177.00 178.03 2kku h LYS 127 N 2.13 0.00 -3.92 5.54 3.11 -2.00 -3.46 116.57 117.98 2kku h LYS 127 Ca -0.49 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.25 2kku h LYS 127 Cb 1.23 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 32.31 2kku h LYS 127 CO 0.61 0.33 -0.48 -0.98 -2.81 0.00 0.00 179.45 176.12 2kku s ARG 128 N -3.81 0.74 0.10 1.90 1.70 -1.26 -5.15 118.95 113.18 2kku s ARG 128 Ca -0.01 -1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 2kku s ARG 128 Cb 0.12 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.73 2kku s ARG 128 CO 0.67 -0.21 1.05 -1.17 -1.08 0.00 0.00 175.30 174.57 2kku s LEU 129 N -2.77 4.45 -0.60 -1.89 1.98 -1.26 -5.01 118.68 113.57 2kku s LEU 129 Ca 0.04 1.90 -0.09 0.00 -2.89 0.00 0.00 54.13 53.09 2kku s LEU 129 Cb 0.05 -3.59 0.16 0.00 0.66 0.00 0.00 46.19 43.47 2kku s LEU 129 CO -0.10 -0.23 0.49 -0.69 -1.89 0.00 0.00 176.35 173.93 2kku s VAL 130 N 0.32 4.53 0.58 1.68 1.01 -1.26 -4.90 120.40 122.36 2kku s VAL 130 Ca 0.51 -2.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.18 2kku s VAL 130 Cb -0.26 -3.92 0.14 0.00 0.00 0.00 0.00 36.38 32.34 2kku s VAL 130 CO 0.31 -0.87 0.71 -0.81 0.00 0.00 0.00 175.10 174.44 2kku n PRO 131 N 4.37 -1.10 0.21 2.72 -0.04 -1.26 -4.52 135.00 135.39 2kku n PRO 131 Ca 0.01 -1.11 0.16 0.00 -0.04 0.00 0.00 63.50 62.52 2kku n PRO 131 Cb 0.42 -0.80 0.81 0.00 -0.04 0.00 0.00 33.50 33.88 2kku n PRO 131 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2kku h VAL 132 N -1.62 0.59 0.00 0.52 -1.51 -1.99 -1.10 116.25 111.14 2kku h VAL 132 Ca -0.24 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.19 2kku h VAL 132 Cb 0.67 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2kku h VAL 132 CO 0.16 0.00 -0.18 1.23 -1.23 0.00 0.00 177.57 177.56 2kku h GLY 133 N 0.00 0.00 0.00 5.19 0.00 -1.98 -3.46 103.07 102.82 2kku h GLY 133 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2kku h GLY 133 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2kku n GLY 134 N 0.70 -2.04 3.58 4.60 0.00 -0.42 -4.99 105.19 106.63 2kku n GLY 134 Ca 0.02 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 2kku n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kku s GLN 135 N -4.18 3.19 -0.44 1.61 -1.52 -0.36 -4.88 119.66 113.08 2kku s GLN 135 Ca 0.00 -0.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.63 2kku s GLN 135 Cb 0.00 -2.78 0.01 0.00 -0.22 0.00 0.00 33.01 30.02 2kku s GLN 135 CO 0.00 0.51 1.35 0.71 -0.25 0.00 0.00 175.29 177.60 2kku s TYR 136 N -0.36 2.49 -0.37 0.91 2.02 -1.26 -1.09 117.35 119.69 2kku s TYR 136 Ca 0.06 0.67 -0.29 0.00 -0.37 0.00 0.00 57.07 57.14 2kku s TYR 136 Cb -0.12 -4.35 0.02 0.00 -0.40 0.00 0.00 41.96 37.10 2kku s TYR 136 CO 0.02 -1.81 1.11 -1.17 -1.57 0.00 0.00 175.55 172.13 2kku s LEU 137 N 5.25 3.82 -0.02 -1.29 0.20 -0.47 -4.95 118.68 121.22 2kku s LEU 137 Ca 0.58 0.86 0.05 0.00 0.69 0.00 0.00 54.13 56.31 2kku s LEU 137 Cb -0.12 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.09 2kku s LEU 137 CO 0.32 -1.02 -0.18 0.00 -0.29 0.00 0.00 176.35 175.18 2kku s ARG 138 N 3.97 1.55 0.00 1.98 3.03 -1.26 -1.55 118.95 126.67 2kku s ARG 138 Ca 0.47 -0.64 0.27 0.00 2.03 0.00 0.00 55.73 57.86 2kku s ARG 138 Cb -0.11 -1.46 0.80 0.00 -1.03 0.00 0.00 34.95 33.15 2kku s ARG 138 CO 0.21 0.35 1.60 -1.91 -1.13 0.00 0.00 175.30 174.43